A0A077Z9T1_TRITR Loading...

FACT complex subunit

Component of the FACT complex, a general chromatin factor that acts to reorganize nucleosomes. The FACT complex is involved in multiple processes that require DNA as a template such as mRNA elongation, DNA replication and DNA repair. During transcription elongation the FACT complex acts as a histone chaperone that both destabilizes and restores nucleosomal structure. It facilitates the passage of RNA polymerase II and transcription by promoting the dissociation of one histone H2A-H2B dimer from the nucleosome, then subsequently promotes the reestablishment of the nucleosome following the passage of RNA polymerase II.

AlphaFold DB , UniProt , Accession A0A077Z9T1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 912 aa.

						>A0A077Z9T1_TRITR|A0A077Z9T1
MAPAALQLDSKQFWTRLSKIYSFWRKLFFIYLFTWLFGYEIPDMLLIVSKKCLVFFGSASSVGNVVEGASTICRRLHRLILRIPLQNASVGSFVKEHPSGEFADAWNEVFSKYNFNIVDVTVPFGLLMAVKDQSEVALIKTACESTCAFFNKFLKPQLIGLVEEERVVSHAFISDACSKASRSSKYLADVDLTKLDLCYPPIIQSGGRYALKYSVISDDHNLNYGAIVCSLGLRYMQYCSNISRTLLVDPSSELQDIYALLCNVQQKVIEALKPSKHSVYNYAVYCLSLYANFFLGMVFNVGVGFAGVDNVAGTESIGKTISLFIADTVLVGKLNGLGEKTIQKHKHVYGKLFLPSIFAYLKLALFKEEEEEEPEQNKENIDDAVGRGKRSVVLQEQLRSKESKDEQRKQHQKELIEQLNIKARERLAQAKNAKSKQKKSVVCSFTLVRMRAEVNVLMFDLTTCLDEKHEAIIMPIAGSSVPVALFKKTEYQRVGISGSRRHIHELFGRTFRSTNVKEPGELNPPSLNLITASKLIKEMQKSFRAKEAEEREKEGVVQQDTLIVNVNKAYPRLKDLYVRPNMINKRLIGTLEAHTNGFRYVASRGDRLDILYKNIKHAFFQPCDGEMIVLIHFHLKDAILYGKRKHTDVQFFTEVGEITTDLGKRGGRDDRDDLYAEQAERDLRRKLNIAFKTFCDRIEVLTNQLVEFDTPFRSLGFYGVPYRSSVLLQPTSCCLVNLSDWPPLVITLDEVELVHFERVQFHLKNFDMVFIFKDYTQKPFSITAIPTDVLDHVKDWLNSCDIPYSEGIQSLNWPKIMKSILEDAEGFFDSGGWDFLTKDEGSDEEAEAEGSSGDDEDFNVDEEEESSEEDSDEDYESVMSSESGTRLFLWAESGKSWSELEEETRQGKPLAD
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.5	Very low	33.3	Very low	228 Å²	228	116.5 Å²	116.5	100%	1.123	68%	0.679	S	S	*	*				0	100	0	-81.9	171	162.7	0	0	106.2
2	A	25.8	Very low	34.4	Very low	96 Å²	96	113.6 Å²	113.6	79%	0.793	65%	0.654	S	S	*	*			trans	-63.5	129.9	166.8	0	0	0	0	0	107.1	A4	A2-A4 PolarHBondContact O-N 3.37Å
3	P	28.5	Very low	35.5	Very low	111 Å²	111	110 Å²	110	72%	0.721	63%	0.626	S	S	*	*			trans	-67	123.1	178.8	27.2	-29.3	0	0	0	107.5	A5	P3-A5 PolarHBondContact O-N 3.04Å
4	A	27.3	Very low	36.9	Very low	103 Å²	103	107.9 Å²	107.9	85%	0.851	60%	0.603	S	S	*	*			trans	-66.2	81.8	169.2	0	0	0	0	0	108.6	A2	A2-A4 PolarHBondContact O-N 3.37Å
5	A	29.1	Very low	38	Very low	72 Å²	72	105.5 Å²	105.5	60%	0.595	59%	0.592	S	S	*	*			trans	-81.3	123.1	167.7	0	0	0	0	0	107.8	P3 Q7	P3-A5 PolarHBondContact O-N 3.04Å; A5-Q7 PolarHBondContact O-N 2.93Å
6	L	28.7	Very low	39.1	Very low	132 Å²	132	102 Å²	102	69%	0.691	57%	0.567	S	S	*	*			trans	-52.9	119.4	-175.8	-78.5	97	0	0	0	111.6	L8	L6-L8 PolarHBondContact O-N 3.44Å; L6-L8 VanDerWaalsContact O-N 3.08Å
7	Q	30.2	Very low	40	Very low	181 Å²	181	97.3 Å²	97.3	85%	0.846	54%	0.54	S	S	*	.			trans	-52.4	112.4	151.8	-79.4	175.5	-30.7	0	0	107.3	A5 D9	A5-Q7 PolarHBondContact O-N 2.93Å; Q7-D9 PolarHBondContact O-N 3.14Å
8	L	36.2	Very low	40.6	Very low	69 Å²	69	95.6 Å²	95.6	36%	0.361	54%	0.536	S	S	.	.			trans	-48.3	116	150.6	-95.9	148.6	0	0	0	105.5	L6 S10	L6-L8 PolarHBondContact O-N 3.44Å; L6-L8 VanDerWaalsContact O-N 3.08Å; L8-S10 VanDerWaalsContact C-N 3.31Å; L8-S10 PolarHBondContact O-N 2.81Å
9	D	41.4	Very low	41.2	Very low	81 Å²	81	98.4 Å²	98.4	43%	0.433	54%	0.542	S	S	.	.			trans	-56.4	98.4	-176.6	-175.2	11.4	0	0	0	107.6	Q7 K11 Q12	Q7-D9 PolarHBondContact O-N 3.14Å; D9-K11 PolarHBondContact O-N 2.65Å; D9-Q12 PolarHBondContact O-N 3.45Å
10	S	45.9	Very low	41.6	Very low	55 Å²	55	95.8 Å²	95.8	39%	0.385	53%	0.527	S	S	.	.	H	α-helix	trans	-54.3	-32.7	-167.5	60.8	0	0	0	0	110.1	L8 Q12 F13 W14	L8-S10 VanDerWaalsContact C-N 3.31Å; L8-S10 PolarHBondContact O-N 2.81Å; S10-Q12 VanDerWaalsContact C-N 3.35Å; S10-Q12 PolarHBondContact O-N 3.42Å; S10-F13 PolarHBondContact O-N 3.44Å; S10-W14 VanDerWaalsContact C-CD1 3.43Å; S10-W14 WeakPolarHBondContact O-CB 3.36Å; S10-W14 VanDerWaalsContact O-CG 3.24Å; S10-W14 PolarHBondContact O-N 3.01Å
11	K	43.8	Very low	41.9	Very low	153 Å²	153	96.6 Å²	96.6	67%	0.665	52%	0.523	S	S	*	.	H	α-helix	trans	-53.6	-43.2	173.3	-80.3	-178.6	175.9	174.2	0	113.8	D9 T15	D9-K11 PolarHBondContact O-N 2.65Å; K11-T15 VanDerWaalsContact O-CB 3.26Å; K11-T15 WeakPolarHBondContact O-CB 3.24Å; K11-T15 PolarHBondContact O-N 3.5Å; K11-T15 PolarHBondContact O-OG1 2.95Å
12	Q	47.1	Very low	42.7	Very low	82 Å²	82	90 Å²	90	38%	0.383	50%	0.499	S	S	.	.	H	α-helix	trans	-74.3	-41.9	-176.1	-70.2	-164.7	28.5	0	0	112.4	D9 S10 W14 T15 R16	D9-Q12 PolarHBondContact O-N 3.45Å; S10-Q12 VanDerWaalsContact C-N 3.35Å; S10-Q12 PolarHBondContact O-N 3.42Å; Q12-W14 VanDerWaalsContact C-N 3.3Å; Q12-W14 PolarHBondContact O-N 3.07Å; Q12-T15 PolarHBondContact O-N 2.96Å; Q12-R16 WeakPolarHBondContact O-CB 3.42Å; Q12-R16 VanDerWaalsContact O-CG 3.32Å; Q12-R16 WeakPolarHBondContact O-CG 3.47Å; Q12-R16 PolarHBondContact O-N 3.24Å
13	F	48.3	Very low	43.4	Very low	67 Å²	67	93.6 Å²	93.6	29%	0.294	50%	0.497	S	S	.	.	H	α-helix	trans	-56.3	-48.9	171.7	177.6	-98.7	0	0	0	110.1	S10 T15 R16 L17	S10-F13 PolarHBondContact O-N 3.44Å; F13-T15 VanDerWaalsContact C-N 3.33Å; F13-T15 PolarHBondContact O-N 3.36Å; F13-R16 PolarHBondContact O-N 2.83Å; F13-L17 HydrophobicContact CE1-CD2 4.43Å; F13-L17 HydrophobicContact CZ-CD1 4.21Å; F13-L17 WeakPolarHBondContact O-CB 3.08Å; F13-L17 PolarHBondContact O-N 2.95Å
14	W	55.1	Low	44.4	Very low	81 Å²	81	92.1 Å²	92.1	31%	0.307	48%	0.477	S	S	.	.	H	α-helix	trans	-63	-36.1	176.5	-66.7	128.5	0	0	0	113.2	S10 Q12 L17 S18 F37 L53 F55	S10-W14 VanDerWaalsContact C-CD1 3.43Å; S10-W14 WeakPolarHBondContact O-CB 3.36Å; S10-W14 VanDerWaalsContact O-CG 3.24Å; S10-W14 PolarHBondContact O-N 3.01Å; Q12-W14 VanDerWaalsContact C-N 3.3Å; Q12-W14 PolarHBondContact O-N 3.07Å; W14-L17 HydrophobicContact CE3-CD2 3.85Å; W14-L17 HydrophobicContact CZ3-CD2 3.63Å; W14-S18 VanDerWaalsContact O-CB 3.28Å; W14-S18 WeakPolarHBondContact O-CB 3.42Å; W14-S18 PolarHBondContact O-N 3.34Å; W14-S18 PolarHBondContact O-OG 3.3Å; W14-F37 HydrophobicContact CZ2-CZ 4.17Å; W14-L53 HydrophobicContact CE3-CD1 3.97Å; W14-L53 HydrophobicContact CH2-CD1 3.52Å; W14-L53 HydrophobicContact CH2-CD2 3.97Å; W14-L53 HydrophobicContact CH2-CG 4.21Å; W14-L53 HydrophobicContact CZ3-CD1 3.13Å; W14-L53 HydrophobicContact CZ3-CD2 3.72Å; W14-L53 HydrophobicContact CZ3-CG 4Å; W14-F55 HydrophobicContact CH2-CZ 4.2Å
15	T	53.3	Low	45.1	Very low	71 Å²	71	97.1 Å²	97.1	44%	0.436	47%	0.474	S	S	.	.	H	α-helix	trans	-69.3	-35	176.7	-58.4	0	0	0	0	112	K11 Q12 F13 S18 K19	K11-T15 VanDerWaalsContact O-CB 3.26Å; K11-T15 WeakPolarHBondContact O-CB 3.24Å; K11-T15 PolarHBondContact O-N 3.5Å; K11-T15 PolarHBondContact O-OG1 2.95Å; Q12-T15 PolarHBondContact O-N 2.96Å; F13-T15 VanDerWaalsContact C-N 3.33Å; F13-T15 PolarHBondContact O-N 3.36Å; T15-S18 PolarHBondContact O-OG 2.92Å; T15-K19 WeakPolarHBondContact O-CG 3.48Å; T15-K19 PolarHBondContact O-N 3.02Å
16	R	54.8	Low	45.9	Very low	50 Å²	50	101.7 Å²	101.7	19%	0.189	48%	0.481	C	S	.	.	H	α-helix	trans	-73.5	-44.1	175.6	-72.7	179.8	-170.3	177.2	4.1	110.6	Q12 F13 S18 K19 I20 L127 V130 E135	Q12-R16 WeakPolarHBondContact O-CB 3.42Å; Q12-R16 VanDerWaalsContact O-CG 3.32Å; Q12-R16 WeakPolarHBondContact O-CG 3.47Å; Q12-R16 PolarHBondContact O-N 3.24Å; F13-R16 PolarHBondContact O-N 2.83Å; R16-S18 VanDerWaalsContact C-N 3.31Å; R16-S18 PolarHBondContact O-N 3.41Å; R16-K19 PolarHBondContact O-N 2.99Å; R16-I20 PolarHBondContact O-N 3.21Å; R16-L127 HydrophobicContact CB-CD1 3.66Å; R16-L127 HydrophobicContact CB-CG 4.46Å; R16-V130 VanDerWaalsContact CZ-O 3.28Å; R16-V130 PolarHBondContact NH1-O 3.46Å; R16-V130 PolarHBondContact NH2-O 2.82Å; R16-E135 IonicContact NH1-OE2 2.99Å
17	L	55.2	Low	46.6	Very low	22 Å²	22	96.8 Å²	96.8	12%	0.115	46%	0.455	C	S	.	.	H	α-helix	trans	-60.9	-39.9	175.4	-154	82	0	0	0	111.5	F13 W14 K19 I20 Y21 L53 L127	F13-L17 HydrophobicContact CE1-CD2 4.43Å; F13-L17 HydrophobicContact CZ-CD1 4.21Å; F13-L17 WeakPolarHBondContact O-CB 3.08Å; F13-L17 PolarHBondContact O-N 2.95Å; W14-L17 HydrophobicContact CE3-CD2 3.85Å; W14-L17 HydrophobicContact CZ3-CD2 3.63Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.36Å; L17-I20 PolarHBondContact O-N 3.48Å; L17-Y21 WeakPolarHBondContact O-CB 3.39Å; L17-Y21 PolarHBondContact O-N 3.15Å; L17-L53 HydrophobicContact CD2-CD2 4.16Å; L17-L127 HydrophobicContact CD1-CD2 4.17Å
18	S	51.5	Low	47.6	Very low	67 Å²	67	90.3 Å²	90.3	47%	0.469	42%	0.424	S	S	.	.	H	α-helix	trans	-68.1	-26.7	177.9	76.4	0	0	0	0	113.7	W14 T15 R16 Y21 S22	W14-S18 VanDerWaalsContact O-CB 3.28Å; W14-S18 WeakPolarHBondContact O-CB 3.42Å; W14-S18 PolarHBondContact O-N 3.34Å; W14-S18 PolarHBondContact O-OG 3.3Å; T15-S18 PolarHBondContact O-OG 2.92Å; R16-S18 VanDerWaalsContact C-N 3.31Å; R16-S18 PolarHBondContact O-N 3.41Å; S18-Y21 WeakPolarHBondContact O-CB 3.42Å; S18-Y21 PolarHBondContact O-N 3.43Å; S18-S22 PolarHBondContact O-N 2.9Å
19	K	50.4	Low	48.4	Very low	149 Å²	149	87.9 Å²	87.9	65%	0.648	41%	0.411	S	S	*	.	H	α-helix	trans	-68.9	-41	172	-74.5	176.4	-179.4	-180	0	111.7	T15 R16 L17 Y21 S22	T15-K19 WeakPolarHBondContact O-CG 3.48Å; T15-K19 PolarHBondContact O-N 3.02Å; R16-K19 PolarHBondContact O-N 2.99Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.36Å; K19-Y21 VanDerWaalsContact C-N 3.32Å; K19-S22 WeakPolarHBondContact O-CB 3.35Å; K19-S22 PolarHBondContact O-N 2.9Å; K19-S22 PolarHBondContact O-OG 3.49Å
20	I	49.9	Very low	49	Very low	45 Å²	45	84.8 Å²	84.8	23%	0.231	39%	0.394	C	S	.	.	H	α-helix	trans	-66.6	-37.6	173	-73.3	-172.6	0	0	0	111.3	R16 L17 S22 F23 W24 L127	R16-I20 PolarHBondContact O-N 3.21Å; L17-I20 PolarHBondContact O-N 3.48Å; I20-S22 PolarHBondContact O-N 2.92Å; I20-S22 VanDerWaalsContact O-N 3.12Å; I20-F23 WeakPolarHBondContact O-CA 3.41Å; I20-F23 WeakPolarHBondContact O-CB 3.46Å; I20-F23 PolarHBondContact O-N 2.99Å; I20-W24 VanDerWaalsContact CG2-CD1 3.49Å; I20-W24 HydrophobicContact CG2-CG 4.45Å; I20-W24 PolarHBondContact O-N 3.04Å; I20-W24 VanDerWaalsContact O-N 3.15Å; I20-L127 HydrophobicContact CD1-CB 3.74Å; I20-L127 HydrophobicContact CD1-CD1 3.42Å; I20-L127 VanDerWaalsContact CD1-CD1 3.42Å; I20-L127 HydrophobicContact CD1-CD2 3.81Å; I20-L127 HydrophobicContact CD1-CG 3.82Å; I20-L127 HydrophobicContact CG1-CD1 3.95Å
21	Y	46.9	Very low	49.7	Very low	114 Å²	114	84.5 Å²	84.5	45%	0.447	39%	0.385	S	S	.	.	H	α-helix	trans	-54.7	-30.8	176.3	-172.1	-80.5	0	0	0	112.5	L17 S18 K19 K50	L17-Y21 WeakPolarHBondContact O-CB 3.39Å; L17-Y21 PolarHBondContact O-N 3.15Å; S18-Y21 WeakPolarHBondContact O-CB 3.42Å; S18-Y21 PolarHBondContact O-N 3.43Å; K19-Y21 VanDerWaalsContact C-N 3.32Å; Y21-K50 WeakPolarHBondContact CE2-O 3.37Å; Y21-K50 VanDerWaalsContact OH-CA 3.22Å; Y21-K50 WeakPolarHBondContact OH-CA 3.43Å; Y21-K50 WeakPolarHBondContact OH-CB 3.34Å; Y21-K50 PolarHBondContact OH-O 3.09Å
22	S	46.7	Very low	50.1	Low	90 Å²	90	78.5 Å²	78.5	63%	0.629	36%	0.36	S	S	*	.	H	α-helix	trans	-69.9	-28	174	78.5	0	0	0	0	114.3	S18 K19 I20	S18-S22 PolarHBondContact O-N 2.9Å; K19-S22 WeakPolarHBondContact O-CB 3.35Å; K19-S22 PolarHBondContact O-N 2.9Å; K19-S22 PolarHBondContact O-OG 3.49Å; I20-S22 PolarHBondContact O-N 2.92Å; I20-S22 VanDerWaalsContact O-N 3.12Å
23	F	42	Very low	50.6	Low	171 Å²	171	78 Å²	78	75%	0.75	36%	0.357	S	S	*	.	H	α-helix	trans	-86.4	-33.4	-176.8	-159.9	-98.3	0	0	0	112.1	I20 R25	I20-F23 WeakPolarHBondContact O-CA 3.41Å; I20-F23 WeakPolarHBondContact O-CB 3.46Å; I20-F23 PolarHBondContact O-N 2.99Å; F23-R25 PolarHBondContact O-N 3.18Å
24	W	48.2	Very low	50.8	Low	79 Å²	79	78.7 Å²	78.7	30%	0.299	37%	0.366	S	S	.	.			trans	-102.8	65.6	-173.4	-68.4	87.1	0	0	0	112.6	I20 K26 L27 V118 P123	I20-W24 VanDerWaalsContact CG2-CD1 3.49Å; I20-W24 HydrophobicContact CG2-CG 4.45Å; I20-W24 PolarHBondContact O-N 3.04Å; I20-W24 VanDerWaalsContact O-N 3.15Å; W24-K26 PolarHBondContact O-N 3.49Å; W24-L27 HydrophobicContact CD2-CD2 4.5Å; W24-L27 HydrophobicContact CE3-CB 3.91Å; W24-L27 HydrophobicContact CE3-CD1 3.62Å; W24-L27 HydrophobicContact CE3-CD2 3.57Å; W24-L27 HydrophobicContact CE3-CG 3.88Å; W24-L27 HydrophobicContact CH2-CD2 4.29Å; W24-L27 HydrophobicContact CZ3-CD1 3.6Å; W24-L27 HydrophobicContact CZ3-CD2 3.44Å; W24-L27 VanDerWaalsContact CZ3-CD2 3.44Å; W24-L27 HydrophobicContact CZ3-CG 4.01Å; W24-V118 HydrophobicContact CH2-CG1 3.99Å; W24-V118 HydrophobicContact CZ3-CG1 4.09Å; W24-P123 HydrophobicContact CZ2-CB 4.45Å; W24-P123 HydrophobicContact CZ2-CG 3.89Å
25	R	43.4	Very low	50.6	Low	208 Å²	208	79.9 Å²	79.9	79%	0.785	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-1.5	-179.6	-85.2	-175.7	169.9	-170.9	-2.4	115.6	F23 K50	F23-R25 PolarHBondContact O-N 3.18Å; R25-K50 WeakPolarHBondContact O-CE 3.48Å; R25-K50 PolarHBondContact O-NZ 3.22Å
26	K	44.2	Very low	50.4	Low	169 Å²	169	77 Å²	77	74%	0.735	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.9	-4	-172.5	-72.6	-172.3	179.2	-179.4	0	117.3	W24	W24-K26 PolarHBondContact O-N 3.49Å
27	L	44.4	Very low	50.2	Low	29 Å²	29	77.1 Å²	77.1	15%	0.152	36%	0.355	C	S	.	.			trans	-98.6	137.7	-174	-114.1	77.4	0	0	0	113.1	W24 S89 V118 V120	W24-L27 HydrophobicContact CD2-CD2 4.5Å; W24-L27 HydrophobicContact CE3-CB 3.91Å; W24-L27 HydrophobicContact CE3-CD1 3.62Å; W24-L27 HydrophobicContact CE3-CD2 3.57Å; W24-L27 HydrophobicContact CE3-CG 3.88Å; W24-L27 HydrophobicContact CH2-CD2 4.29Å; W24-L27 HydrophobicContact CZ3-CD1 3.6Å; W24-L27 HydrophobicContact CZ3-CD2 3.44Å; W24-L27 VanDerWaalsContact CZ3-CD2 3.44Å; W24-L27 HydrophobicContact CZ3-CG 4.01Å; L27-S89 WeakPolarHBondContact CA-O 3.43Å; L27-V118 HydrophobicContact CD1-CG2 4.22Å; L27-V118 HydrophobicContact CD2-CB 4.08Å; L27-V118 HydrophobicContact CD2-CG1 4.36Å; L27-V120 HydrophobicContact CD2-CG1 4.22Å
28	F	50.9	Low	49.8	Very low	45 Å²	45	78.5 Å²	78.5	20%	0.197	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	136.4	159.1	-83.3	-96	0	0	0	108	I83 L85 S89 V90 G91	F28-I83 HydrophobicContact CZ-CG2 4.26Å; F28-L85 HydrophobicContact CD2-CD2 4.03Å; F28-L85 HydrophobicContact CE2-CD2 4.03Å; F28-L85 HydrophobicContact CG-CD2 4.48Å; F28-L85 HydrophobicContact CZ-CD2 4.46Å; F28-S89 PolarHBondContact N-O 3.25Å; F28-S89 VanDerWaalsContact N-O 3.09Å; F28-V90 HydrophobicContact CB-CG2 4.44Å; F28-V90 CarbonylContact O-C 3.52Å; F28-V90 WeakPolarHBondContact O-CA 3.34Å; F28-G91 PolarHBondContact O-N 2.94Å
29	F	52.5	Low	49.5	Very low	18 Å²	18	82.2 Å²	82.2	8%	0.079	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.6	174.5	162.6	-85.3	0	0	0	108.9	Y31 I47 V48 G91 F93 V120 F124	F29-Y31 HydrophobicContact CZ-CD1 4.43Å; F29-Y31 HydrophobicContact CZ-CG 4.08Å; F29-I47 CarbonylContact O-C 3.6Å; F29-I47 WeakPolarHBondContact O-CA 3.23Å; F29-V48 HydrophobicContact CB-CB 4.08Å; F29-V48 HydrophobicContact CB-CG2 4.49Å; F29-V48 HydrophobicContact CD1-CB 3.94Å; F29-V48 HydrophobicContact CD1-CG2 3.44Å; F29-V48 VanDerWaalsContact CD1-CG2 3.44Å; F29-V48 HydrophobicContact CE1-CG2 4.07Å; F29-V48 HydrophobicContact CG-CB 4.47Å; F29-V48 HydrophobicContact CG-CG2 4.35Å; F29-V48 PolarHBondContact N-O 3.37Å; F29-V48 PolarHBondContact O-N 2.92Å; F29-G91 WeakPolarHBondContact CD2-O 3.43Å; F29-F93 HydrophobicContact CE2-CD2 4Å; F29-F93 AromaticContact CE2-CE2 3.61Å; F29-F93 HydrophobicContact CE2-CE2 3.61Å; F29-F93 HydrophobicContact CE2-CZ 4.43Å; F29-F93 HydrophobicContact CZ-CD2 4.26Å; F29-F93 AromaticContact CZ-CE2 3.67Å; F29-F93 HydrophobicContact CZ-CE2 3.67Å; F29-V120 HydrophobicContact CD2-CG2 3.75Å; F29-V120 HydrophobicContact CE2-CG2 3.6Å; F29-F124 HydrophobicContact CD2-CE2 4.08Å; F29-F124 HydrophobicContact CD2-CZ 4.44Å; F29-F124 HydrophobicContact CE1-CZ 4.32Å; F29-F124 AromaticContact CE2-CE2 3.84Å; F29-F124 HydrophobicContact CE2-CE2 3.84Å; F29-F124 HydrophobicContact CE2-CZ 4.06Å; F29-F124 HydrophobicContact CZ-CE2 4.23Å; F29-F124 AromaticContact CZ-CZ 3.97Å; F29-F124 HydrophobicContact CZ-CZ 3.97Å
30	I	54.3	Low	49.8	Very low	16 Å²	16	81 Å²	81	8%	0.082	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	119.7	-179.6	-52.8	175.8	0	0	0	108	L45 I47 V90 G91 W106 F110	I30-L45 HydrophobicContact CG2-CD1 3.62Å; I30-L45 HydrophobicContact CG2-CD2 4.31Å; I30-L45 HydrophobicContact CG2-CG 4.12Å; I30-I47 HydrophobicContact CD1-CD1 4.49Å; I30-I47 HydrophobicContact CG1-CD1 4.43Å; I30-I47 HydrophobicContact CG1-CG1 4.16Å; I30-I47 HydrophobicContact CG1-CG2 4.17Å; I30-I47 HydrophobicContact CG2-CD1 4.46Å; I30-I47 HydrophobicContact CG2-CG1 4Å; I30-V90 HydrophobicContact CB-CG1 4.45Å; I30-V90 HydrophobicContact CD1-CG1 4.19Å; I30-V90 HydrophobicContact CG1-CG1 4.15Å; I30-G91 PolarHBondContact N-O 3.16Å; I30-W106 HydrophobicContact CB-CZ2 4.3Å; I30-W106 HydrophobicContact CD1-CH2 4.24Å; I30-W106 HydrophobicContact CD1-CZ2 3.86Å; I30-W106 HydrophobicContact CG2-CH2 4.02Å; I30-W106 HydrophobicContact CG2-CZ2 3.3Å; I30-F110 HydrophobicContact CD1-CE2 4.2Å
31	Y	60.2	Low	50.3	Low	48 Å²	48	79 Å²	79	19%	0.188	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.6	179.6	-171.5	-122.9	0	0	0	111.7	F29 F33 L46 F93 E96	F29-Y31 HydrophobicContact CZ-CD1 4.43Å; F29-Y31 HydrophobicContact CZ-CG 4.08Å; Y31-F33 HydrophobicContact CD1-CB 4.3Å; Y31-F33 AromaticContact CD1-CD2 3.62Å; Y31-F33 HydrophobicContact CD1-CD2 3.62Å; Y31-F33 HydrophobicContact CD1-CE2 4.41Å; Y31-F33 HydrophobicContact CD1-CG 4.43Å; Y31-F33 AromaticContact CE1-CD2 3.55Å; Y31-F33 HydrophobicContact CE1-CD2 3.55Å; Y31-F33 HydrophobicContact CE1-CE2 4.16Å; Y31-L46 PolarHBondContact N-O 3.03Å; Y31-L46 PolarHBondContact O-N 2.97Å; Y31-F93 HydrophobicContact CD1-CD2 4.18Å; Y31-F93 HydrophobicContact CD1-CE2 4.16Å; Y31-F93 AromaticContact CD2-CD2 3.62Å; Y31-F93 HydrophobicContact CD2-CD2 3.62Å; Y31-F93 HydrophobicContact CD2-CE2 4.38Å; Y31-F93 HydrophobicContact CE1-CD2 4.21Å; Y31-F93 HydrophobicContact CE1-CE2 4.29Å; Y31-F93 HydrophobicContact CE2-CB 4.17Å; Y31-F93 AromaticContact CE2-CD2 3.71Å; Y31-F93 HydrophobicContact CE2-CD2 3.71Å; Y31-F93 HydrophobicContact CE2-CG 4.32Å; Y31-F93 AromaticContact CG-CD2 3.89Å; Y31-F93 HydrophobicContact CG-CD2 3.89Å; Y31-F93 HydrophobicContact CG-CE2 4.2Å; Y31-E96 HydrophobicContact CE2-CB 4.25Å
32	L	53.6	Low	50.8	Low	27 Å²	27	77 Å²	77	14%	0.141	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.3	171.3	-113.6	136.8	0	0	0	108	M44 L45 P98 F102 A103 W106	L32-M44 CarbonylContact C-O 3.59Å; L32-M44 VanDerWaalsContact CA-O 3.29Å; L32-M44 WeakPolarHBondContact CA-O 3.49Å; L32-M44 WeakPolarHBondContact CD2-O 3.47Å; L32-L45 HydrophobicContact CD1-CD1 4.24Å; L32-L45 HydrophobicContact CG-CD1 4.16Å; L32-P98 HydrophobicContact CB-CB 4.22Å; L32-P98 HydrophobicContact CB-CG 4.11Å; L32-P98 HydrophobicContact CD1-CG 4.41Å; L32-F102 HydrophobicContact CD1-CD1 3.91Å; L32-F102 HydrophobicContact CD1-CE1 3.89Å; L32-F102 HydrophobicContact CD2-CD1 3.52Å; L32-F102 HydrophobicContact CD2-CE1 3.7Å; L32-F102 HydrophobicContact CG-CD1 4.06Å; L32-F102 HydrophobicContact CG-CE1 3.88Å; L32-A103 HydrophobicContact CD1-CB 3.88Å; L32-W106 HydrophobicContact CD1-CB 4.36Å; L32-W106 HydrophobicContact CD1-CG 4.42Å
33	F	56.9	Low	51.6	Low	73 Å²	73	77.5 Å²	77.5	32%	0.32	36%	0.362	S	S	.	.			trans	-122.6	114.8	-169	-155.8	-124	0	0	0	110	Y31 W35 L36 M44	Y31-F33 HydrophobicContact CD1-CB 4.3Å; Y31-F33 AromaticContact CD1-CD2 3.62Å; Y31-F33 HydrophobicContact CD1-CD2 3.62Å; Y31-F33 HydrophobicContact CD1-CE2 4.41Å; Y31-F33 HydrophobicContact CD1-CG 4.43Å; Y31-F33 AromaticContact CE1-CD2 3.55Å; Y31-F33 HydrophobicContact CE1-CD2 3.55Å; Y31-F33 HydrophobicContact CE1-CE2 4.16Å; F33-W35 VanDerWaalsContact C-N 3.32Å; F33-W35 VanDerWaalsContact CD1-C 3.48Å; F33-W35 VanDerWaalsContact CD1-O 3.28Å; F33-W35 WeakPolarHBondContact CD1-O 3.36Å; F33-W35 VanDerWaalsContact CE1-C 3.4Å; F33-W35 WeakPolarHBondContact CE1-O 3.29Å; F33-W35 WeakPolarHBondContact CZ-O 3.2Å; F33-L36 HydrophobicContact CD1-CB 4.34Å; F33-L36 HydrophobicContact CD1-CD1 4.06Å; F33-L36 HydrophobicContact CE1-CD1 4.16Å; F33-M44 HydrophobicContact CB-SD 4.37Å; F33-M44 PolarHBondContact N-O 3.37Å; F33-M44 WeakPolarHBondContact O-CB 3.46Å
34	T	52	Low	52.7	Low	81 Å²	81	69.5 Å²	69.5	50%	0.497	33%	0.327	S	S	.	.	S	Bend	trans	-75.9	-18.4	175.6	21.8	0	0	0	0	113	E40 I41	T34-E40 CarbonylContact O-C 3.5Å; T34-E40 WeakPolarHBondContact O-CA 3.48Å; T34-I41 PolarHBondContact O-N 2.91Å
35	W	50.8	Low	53.6	Low	105 Å²	105	65.8 Å²	65.8	40%	0.398	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	86.6	-165.9	-86.1	86.3	0	0	0	115.6	F33 G38 Y39 E40	F33-W35 VanDerWaalsContact C-N 3.32Å; F33-W35 VanDerWaalsContact CD1-C 3.48Å; F33-W35 VanDerWaalsContact CD1-O 3.28Å; F33-W35 WeakPolarHBondContact CD1-O 3.36Å; F33-W35 VanDerWaalsContact CE1-C 3.4Å; F33-W35 WeakPolarHBondContact CE1-O 3.29Å; F33-W35 WeakPolarHBondContact CZ-O 3.2Å; W35-G38 VanDerWaalsContact CZ3-C 3.46Å; W35-G38 VanDerWaalsContact CZ3-O 3.22Å; W35-G38 WeakPolarHBondContact CZ3-O 3.46Å; W35-Y39 CarbonylContact C-O 3.52Å; W35-Y39 VanDerWaalsContact CA-O 3.24Å; W35-Y39 WeakPolarHBondContact CA-O 3.3Å; W35-E40 HydrophobicContact CD2-CB 4.24Å; W35-E40 HydrophobicContact CH2-CB 4.24Å; W35-E40 HydrophobicContact CZ2-CB 3.72Å; W35-E40 HydrophobicContact CZ2-CG 4.25Å
36	L	48.8	Very low	54.9	Low	11 Å²	11	56.8 Å²	56.8	6%	0.058	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.8	176.7	-161.1	75.7	0	0	0	112	F33 G38 Y39 I41 M44 F55 V65	F33-L36 HydrophobicContact CD1-CB 4.34Å; F33-L36 HydrophobicContact CD1-CD1 4.06Å; F33-L36 HydrophobicContact CE1-CD1 4.16Å; L36-G38 PolarHBondContact O-N 3.18Å; L36-Y39 PolarHBondContact N-O 2.95Å; L36-Y39 WeakPolarHBondContact O-CB 3.24Å; L36-Y39 PolarHBondContact O-N 3.46Å; L36-I41 HydrophobicContact CB-CD1 3.71Å; L36-I41 HydrophobicContact CB-CG1 4.44Å; L36-I41 HydrophobicContact CD2-CD1 4.32Å; L36-M44 HydrophobicContact CB-CE 4.14Å; L36-M44 HydrophobicContact CB-SD 4Å; L36-M44 HydrophobicContact CD1-CE 4.04Å; L36-M44 HydrophobicContact CD2-CE 3.69Å; L36-M44 HydrophobicContact CD2-SD 4.47Å; L36-M44 HydrophobicContact CG-CE 4.14Å; L36-F55 HydrophobicContact CD1-CE1 3.98Å; L36-F55 HydrophobicContact CD2-CD1 4.2Å; L36-F55 HydrophobicContact CD2-CE1 3.67Å; L36-F55 HydrophobicContact CD2-CZ 4.07Å; L36-F55 HydrophobicContact CG-CE1 4.48Å; L36-V65 HydrophobicContact CD2-CG1 4.43Å
37	F	52.2	Low	56	Low	53 Å²	53	49.6 Å²	49.6	23%	0.232	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	28.6	177.9	-54.9	-66.8	0	0	0	115.5	W14 Y39 V65 V66	W14-F37 HydrophobicContact CZ2-CZ 4.17Å; F37-Y39 VanDerWaalsContact C-N 3.33Å; F37-V65 HydrophobicContact CB-CG1 4.47Å; F37-V65 HydrophobicContact CD2-CG1 3.65Å; F37-V65 HydrophobicContact CE2-CG1 4.45Å; F37-V66 HydrophobicContact CE2-CG2 4.34Å
38	G	45.6	Very low	57.1	Low	51 Å²	51	49.4 Å²	49.4	53%	0.526	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	16.5	-176.2	0	0	0	0	0	113.8	W35 L36	W35-G38 VanDerWaalsContact CZ3-C 3.46Å; W35-G38 VanDerWaalsContact CZ3-O 3.22Å; W35-G38 WeakPolarHBondContact CZ3-O 3.46Å; L36-G38 PolarHBondContact O-N 3.18Å
39	Y	45.7	Very low	57.6	Low	144 Å²	144	47.9 Å²	47.9	57%	0.565	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.2	168.6	-70.7	-88.2	0	0	0	110.1	W35 L36 F37 I41 V65	W35-Y39 CarbonylContact C-O 3.52Å; W35-Y39 VanDerWaalsContact CA-O 3.24Å; W35-Y39 WeakPolarHBondContact CA-O 3.3Å; L36-Y39 PolarHBondContact N-O 2.95Å; L36-Y39 WeakPolarHBondContact O-CB 3.24Å; L36-Y39 PolarHBondContact O-N 3.46Å; F37-Y39 VanDerWaalsContact C-N 3.33Å; Y39-I41 PolarHBondContact O-N 3.27Å; Y39-V65 HydrophobicContact CD2-CG1 4.48Å; Y39-V65 HydrophobicContact CD2-CG2 4.48Å; Y39-V65 HydrophobicContact CG-CG2 4.37Å
40	E	57	Low	57.7	Low	123 Å²	123	51.3 Å²	51.3	58%	0.575	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	111.2	166.5	-165.1	160.9	-160.3	0	0	108.6	T34 W35 P42	T34-E40 CarbonylContact O-C 3.5Å; T34-E40 WeakPolarHBondContact O-CA 3.48Å; W35-E40 HydrophobicContact CD2-CB 4.24Å; W35-E40 HydrophobicContact CH2-CB 4.24Å; W35-E40 HydrophobicContact CZ2-CB 3.72Å; W35-E40 HydrophobicContact CZ2-CG 4.25Å; E40-P42 WeakPolarHBondContact O-CD 3.43Å
41	I	59	Low	57.6	Low	5 Å²	5	60.4 Å²	60.4	3%	0.026	30%	0.299	C	S	.	.			trans	-108.4	95.7	174.9	-51.8	-175	0	0	0	106.4	T34 L36 Y39 M44 V65	T34-I41 PolarHBondContact O-N 2.91Å; L36-I41 HydrophobicContact CB-CD1 3.71Å; L36-I41 HydrophobicContact CB-CG1 4.44Å; L36-I41 HydrophobicContact CD2-CD1 4.32Å; Y39-I41 PolarHBondContact O-N 3.27Å; I41-M44 HydrophobicContact CB-CB 4.14Å; I41-M44 HydrophobicContact CB-SD 4.01Å; I41-M44 HydrophobicContact CD1-SD 3.93Å; I41-M44 HydrophobicContact CG1-SD 4.46Å; I41-M44 HydrophobicContact CG2-CB 3.77Å; I41-M44 HydrophobicContact CG2-CG 4.19Å; I41-M44 HydrophobicContact CG2-SD 4.19Å; I41-V65 HydrophobicContact CD1-CB 4.44Å; I41-V65 HydrophobicContact CD1-CG1 4.4Å; I41-V65 HydrophobicContact CD1-CG2 4.07Å
42	P	58.5	Low	57.3	Low	71 Å²	71	61.2 Å²	61.2	46%	0.461	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	146	172.4	23.3	-30.4	0	0	0	110.3	E40 M44	E40-P42 WeakPolarHBondContact O-CD 3.43Å; P42-M44 PolarHBondContact O-N 2.91Å
43	D	64.1	Low	57.4	Low	101 Å²	101	62.9 Å²	62.9	54%	0.54	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	45.9	176.9	-52.8	-36.1	0	0	0	115.8	G57 F102	D43-G57 WeakPolarHBondContact O-CA 3.3Å; D43-F102 HydrophobicContact CB-CB 4.34Å; D43-F102 HydrophobicContact CB-CG 4.31Å
44	M	65	Low	57.6	Low	2 Å²	2	60.3 Å²	60.3	1%	0.01	31%	0.31	C	S	.	.			trans	-107.7	130.2	-178.2	-178.5	-160.8	171.9	0	0	113.3	L32 F33 L36 I41 P42 L46 F55 F56	L32-M44 CarbonylContact C-O 3.59Å; L32-M44 VanDerWaalsContact CA-O 3.29Å; L32-M44 WeakPolarHBondContact CA-O 3.49Å; L32-M44 WeakPolarHBondContact CD2-O 3.47Å; F33-M44 HydrophobicContact CB-SD 4.37Å; F33-M44 PolarHBondContact N-O 3.37Å; F33-M44 WeakPolarHBondContact O-CB 3.46Å; L36-M44 HydrophobicContact CB-CE 4.14Å; L36-M44 HydrophobicContact CB-SD 4Å; L36-M44 HydrophobicContact CD1-CE 4.04Å; L36-M44 HydrophobicContact CD2-CE 3.69Å; L36-M44 HydrophobicContact CD2-SD 4.47Å; L36-M44 HydrophobicContact CG-CE 4.14Å; I41-M44 HydrophobicContact CB-CB 4.14Å; I41-M44 HydrophobicContact CB-SD 4.01Å; I41-M44 HydrophobicContact CD1-SD 3.93Å; I41-M44 HydrophobicContact CG1-SD 4.46Å; I41-M44 HydrophobicContact CG2-CB 3.77Å; I41-M44 HydrophobicContact CG2-CG 4.19Å; I41-M44 HydrophobicContact CG2-SD 4.19Å; P42-M44 PolarHBondContact O-N 2.91Å; M44-L46 HydrophobicContact CE-CB 4.43Å; M44-F55 HydrophobicContact CE-CB 4.32Å; M44-F55 HydrophobicContact CE-CD1 3.09Å; M44-F55 HydrophobicContact CE-CE1 3.59Å; M44-F55 HydrophobicContact CE-CG 4.07Å; M44-F56 CarbonylContact C-O 3.58Å; M44-F56 WeakPolarHBondContact CA-O 3.23Å; M44-F56 WeakPolarHBondContact CG-O 3.37Å
45	L	67.4	Low	58	Low	1 Å²	1	58 Å²	58	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.4	169.9	-171.7	74.8	0	0	0	110.6	I30 L32 I47 F55 F56 F102 W106	I30-L45 HydrophobicContact CG2-CD1 3.62Å; I30-L45 HydrophobicContact CG2-CD2 4.31Å; I30-L45 HydrophobicContact CG2-CG 4.12Å; L32-L45 HydrophobicContact CD1-CD1 4.24Å; L32-L45 HydrophobicContact CG-CD1 4.16Å; L45-I47 HydrophobicContact CD2-CD1 4Å; L45-I47 HydrophobicContact CD2-CG1 4.03Å; L45-I47 HydrophobicContact CG-CG1 4.17Å; L45-F55 CarbonylContact O-C 3.49Å; L45-F55 WeakPolarHBondContact O-CA 3.45Å; L45-F56 HydrophobicContact CB-CB 4.01Å; L45-F56 HydrophobicContact CB-CD2 4.12Å; L45-F56 HydrophobicContact CB-CG 4.49Å; L45-F56 HydrophobicContact CD2-CD2 3.83Å; L45-F56 HydrophobicContact CD2-CE2 4.31Å; L45-F56 HydrophobicContact CG-CD2 4.3Å; L45-F56 PolarHBondContact N-O 3.44Å; L45-F56 PolarHBondContact O-N 3.18Å; L45-F102 HydrophobicContact CB-CE1 3.97Å; L45-F102 HydrophobicContact CB-CZ 3.89Å; L45-W106 HydrophobicContact CD1-CD2 4.08Å; L45-W106 HydrophobicContact CD1-CE3 4.47Å; L45-W106 HydrophobicContact CD1-CG 4.43Å; L45-W106 HydrophobicContact CD1-CZ2 4.47Å; L45-W106 HydrophobicContact CD2-CD2 4.05Å; L45-W106 HydrophobicContact CD2-CE3 3.6Å; L45-W106 HydrophobicContact CD2-CH2 3.73Å; L45-W106 HydrophobicContact CD2-CZ2 4.18Å; L45-W106 HydrophobicContact CD2-CZ3 3.39Å
46	L	69.1	Low	58.7	Low	19 Å²	19	54 Å²	54	10%	0.099	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115	171.2	173.1	54	0	0	0	110	Y31 M44 V48 L53 F55	Y31-L46 PolarHBondContact N-O 3.03Å; Y31-L46 PolarHBondContact O-N 2.97Å; M44-L46 HydrophobicContact CE-CB 4.43Å; L46-V48 HydrophobicContact CD1-CG2 4.21Å; L46-V48 HydrophobicContact CD2-CG2 4.38Å; L46-V48 HydrophobicContact CG-CG2 4.1Å; L46-L53 HydrophobicContact CD1-CD2 3.97Å; L46-F55 HydrophobicContact CD1-CD1 3.65Å; L46-F55 HydrophobicContact CD1-CE1 3.44Å; L46-F55 VanDerWaalsContact CD1-CE1 3.44Å; L46-F55 HydrophobicContact CD1-CZ 4.18Å; L46-F55 HydrophobicContact CD2-CE1 4.44Å; L46-F55 HydrophobicContact CG-CE1 4.4Å
47	I	68.2	Low	59.3	Low	18 Å²	18	54.2 Å²	54.2	9%	0.092	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.5	168.8	-54.8	-171.4	0	0	0	109.1	F29 I30 L45 L53 V54 F56 W106	F29-I47 CarbonylContact O-C 3.6Å; F29-I47 WeakPolarHBondContact O-CA 3.23Å; I30-I47 HydrophobicContact CD1-CD1 4.49Å; I30-I47 HydrophobicContact CG1-CD1 4.43Å; I30-I47 HydrophobicContact CG1-CG1 4.16Å; I30-I47 HydrophobicContact CG1-CG2 4.17Å; I30-I47 HydrophobicContact CG2-CD1 4.46Å; I30-I47 HydrophobicContact CG2-CG1 4Å; L45-I47 HydrophobicContact CD2-CD1 4Å; L45-I47 HydrophobicContact CD2-CG1 4.03Å; L45-I47 HydrophobicContact CG-CG1 4.17Å; I47-L53 CarbonylContact O-C 3.43Å; I47-L53 WeakPolarHBondContact O-CA 3.25Å; I47-V54 HydrophobicContact CB-CB 4.17Å; I47-V54 PolarHBondContact N-O 2.97Å; I47-V54 PolarHBondContact O-N 2.71Å; I47-F56 HydrophobicContact CD1-CD2 4.35Å; I47-F56 HydrophobicContact CD1-CE2 3.58Å; I47-F56 HydrophobicContact CD1-CZ 4.42Å; I47-F56 HydrophobicContact CG1-CD2 4.42Å; I47-F56 HydrophobicContact CG1-CE2 4Å; I47-W106 HydrophobicContact CD1-CH2 4.35Å
48	V	67.2	Low	59.6	Low	25 Å²	25	53.9 Å²	53.9	15%	0.152	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	106.5	170.7	-174.7	0	0	0	0	107.2	F29 L46 L53	F29-V48 HydrophobicContact CB-CB 4.08Å; F29-V48 HydrophobicContact CB-CG2 4.49Å; F29-V48 HydrophobicContact CD1-CB 3.94Å; F29-V48 HydrophobicContact CD1-CG2 3.44Å; F29-V48 VanDerWaalsContact CD1-CG2 3.44Å; F29-V48 HydrophobicContact CE1-CG2 4.07Å; F29-V48 HydrophobicContact CG-CB 4.47Å; F29-V48 HydrophobicContact CG-CG2 4.35Å; F29-V48 PolarHBondContact N-O 3.37Å; F29-V48 PolarHBondContact O-N 2.92Å; L46-V48 HydrophobicContact CD1-CG2 4.21Å; L46-V48 HydrophobicContact CD2-CG2 4.38Å; L46-V48 HydrophobicContact CG-CG2 4.1Å; V48-L53 HydrophobicContact CB-CD2 4.11Å; V48-L53 HydrophobicContact CG1-CD2 3.97Å; V48-L53 HydrophobicContact CG2-CD2 3.59Å
49	S	60.8	Low	59.9	Low	14 Å²	14	55.2 Å²	55.2	10%	0.098	29%	0.293	C	S	.	.			trans	-102.3	175.6	173.1	82.1	0	0	0	0	111.2	K51 C52	S49-K51 PolarHBondContact OG-N 3.08Å; S49-C52 WeakPolarHBondContact CA-O 3.34Å; S49-C52 WeakPolarHBondContact CB-O 3.29Å; S49-C52 PolarHBondContact N-O 3.31Å; S49-C52 PolarHBondContact OG-N 3.42Å; S49-C52 PolarHBondContact OG-O 2.88Å; S49-C52 PolarHBondContact OG-SG 3.06Å
50	K	55.9	Low	60.2	Low	89 Å²	89	52.6 Å²	52.6	39%	0.387	30%	0.296	S	S	.	.	S	Bend	trans	-56.8	-51.2	169.4	-61.1	-174.9	-165.4	-177.2	0	110.9	Y21 R25	Y21-K50 WeakPolarHBondContact CE2-O 3.37Å; Y21-K50 VanDerWaalsContact OH-CA 3.22Å; Y21-K50 WeakPolarHBondContact OH-CA 3.43Å; Y21-K50 WeakPolarHBondContact OH-CB 3.34Å; Y21-K50 PolarHBondContact OH-O 3.09Å; R25-K50 WeakPolarHBondContact O-CE 3.48Å; R25-K50 PolarHBondContact O-NZ 3.22Å
51	K	51.6	Low	60	Low	207 Å²	207	48.5 Å²	48.5	90%	0.9	28%	0.28	S	S	*	.	S	Bend	trans	-94.2	-18.9	-167.2	-67.4	-175	178.4	-178.6	0	114.4	S49	S49-K51 PolarHBondContact OG-N 3.08Å
52	C	53.4	Low	59.6	Low	66 Å²	66	49.4 Å²	49.4	45%	0.446	29%	0.286	S	S	.	.			trans	-153.7	155.7	-173.9	55.6	0	0	0	0	111.7	S49	S49-C52 WeakPolarHBondContact CA-O 3.34Å; S49-C52 WeakPolarHBondContact CB-O 3.29Å; S49-C52 PolarHBondContact N-O 3.31Å; S49-C52 PolarHBondContact OG-N 3.42Å; S49-C52 PolarHBondContact OG-O 2.88Å; S49-C52 PolarHBondContact OG-SG 3.06Å
53	L	56.7	Low	59	Low	62 Å²	62	48.5 Å²	48.5	33%	0.325	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	133.8	159	-69.1	124.6	0	0	0	107.4	W14 L17 L46 I47 V48 F55	W14-L53 HydrophobicContact CE3-CD1 3.97Å; W14-L53 HydrophobicContact CH2-CD1 3.52Å; W14-L53 HydrophobicContact CH2-CD2 3.97Å; W14-L53 HydrophobicContact CH2-CG 4.21Å; W14-L53 HydrophobicContact CZ3-CD1 3.13Å; W14-L53 HydrophobicContact CZ3-CD2 3.72Å; W14-L53 HydrophobicContact CZ3-CG 4Å; L17-L53 HydrophobicContact CD2-CD2 4.16Å; L46-L53 HydrophobicContact CD1-CD2 3.97Å; I47-L53 CarbonylContact O-C 3.43Å; I47-L53 WeakPolarHBondContact O-CA 3.25Å; V48-L53 HydrophobicContact CB-CD2 4.11Å; V48-L53 HydrophobicContact CG1-CD2 3.97Å; V48-L53 HydrophobicContact CG2-CD2 3.59Å; L53-F55 HydrophobicContact CB-CE2 4.47Å
54	V	60.1	Low	58.1	Low	18 Å²	18	50.8 Å²	50.8	11%	0.109	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122	178.9	-167.3	0	0	0	0	107.6	I47 F56 I72	I47-V54 HydrophobicContact CB-CB 4.17Å; I47-V54 PolarHBondContact N-O 2.97Å; I47-V54 PolarHBondContact O-N 2.71Å; V54-F56 HydrophobicContact CB-CE2 3.95Å; V54-F56 HydrophobicContact CB-CZ 4.46Å; V54-F56 HydrophobicContact CG1-CD2 3.97Å; V54-F56 HydrophobicContact CG1-CE1 4.21Å; V54-F56 HydrophobicContact CG1-CE2 3.3Å; V54-F56 HydrophobicContact CG1-CZ 3.46Å; V54-F56 VanDerWaalsContact CG1-CZ 3.46Å; V54-I72 HydrophobicContact CG1-CD1 3.8Å
55	F	61.8	Low	57.3	Low	34 Å²	34	52.2 Å²	52.2	15%	0.149	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.4	173.3	-58.4	-72.3	0	0	0	107.5	W14 L36 M44 L45 L46 L53 V62	W14-F55 HydrophobicContact CH2-CZ 4.2Å; L36-F55 HydrophobicContact CD1-CE1 3.98Å; L36-F55 HydrophobicContact CD2-CD1 4.2Å; L36-F55 HydrophobicContact CD2-CE1 3.67Å; L36-F55 HydrophobicContact CD2-CZ 4.07Å; L36-F55 HydrophobicContact CG-CE1 4.48Å; M44-F55 HydrophobicContact CE-CB 4.32Å; M44-F55 HydrophobicContact CE-CD1 3.09Å; M44-F55 HydrophobicContact CE-CE1 3.59Å; M44-F55 HydrophobicContact CE-CG 4.07Å; L45-F55 CarbonylContact O-C 3.49Å; L45-F55 WeakPolarHBondContact O-CA 3.45Å; L46-F55 HydrophobicContact CD1-CD1 3.65Å; L46-F55 HydrophobicContact CD1-CE1 3.44Å; L46-F55 VanDerWaalsContact CD1-CE1 3.44Å; L46-F55 HydrophobicContact CD1-CZ 4.18Å; L46-F55 HydrophobicContact CD2-CE1 4.44Å; L46-F55 HydrophobicContact CG-CE1 4.4Å; L53-F55 HydrophobicContact CB-CE2 4.47Å; F55-V62 HydrophobicContact CB-CG1 4.42Å
56	F	64.1	Low	56.3	Low	21 Å²	21	54.2 Å²	54.2	9%	0.092	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	142	166	-55.7	-95.2	0	0	0	108.1	M44 L45 I47 V54 I72 L76	M44-F56 CarbonylContact C-O 3.58Å; M44-F56 WeakPolarHBondContact CA-O 3.23Å; M44-F56 WeakPolarHBondContact CG-O 3.37Å; L45-F56 HydrophobicContact CB-CB 4.01Å; L45-F56 HydrophobicContact CB-CD2 4.12Å; L45-F56 HydrophobicContact CB-CG 4.49Å; L45-F56 HydrophobicContact CD2-CD2 3.83Å; L45-F56 HydrophobicContact CD2-CE2 4.31Å; L45-F56 HydrophobicContact CG-CD2 4.3Å; L45-F56 PolarHBondContact N-O 3.44Å; L45-F56 PolarHBondContact O-N 3.18Å; I47-F56 HydrophobicContact CD1-CD2 4.35Å; I47-F56 HydrophobicContact CD1-CE2 3.58Å; I47-F56 HydrophobicContact CD1-CZ 4.42Å; I47-F56 HydrophobicContact CG1-CD2 4.42Å; I47-F56 HydrophobicContact CG1-CE2 4Å; V54-F56 HydrophobicContact CB-CE2 3.95Å; V54-F56 HydrophobicContact CB-CZ 4.46Å; V54-F56 HydrophobicContact CG1-CD2 3.97Å; V54-F56 HydrophobicContact CG1-CE1 4.21Å; V54-F56 HydrophobicContact CG1-CE2 3.3Å; V54-F56 HydrophobicContact CG1-CZ 3.46Å; V54-F56 VanDerWaalsContact CG1-CZ 3.46Å; F56-I72 HydrophobicContact CD1-CG2 4.12Å; F56-I72 HydrophobicContact CE1-CG2 3.64Å; F56-I72 HydrophobicContact CZ-CG2 4.47Å; F56-L76 HydrophobicContact CD1-CD1 4.11Å; F56-L76 HydrophobicContact CG-CD1 4.45Å
57	G	61.1	Low	54.7	Low	14 Å²	14	63.3 Å²	63.3	14%	0.144	37%	0.365	C	S	.	.	S	Bend	trans	174.4	176.3	177.6	0	0	0	0	0	108.9	D43 C73	D43-G57 WeakPolarHBondContact O-CA 3.3Å; G57-C73 PolarHBondContact O-SG 3.49Å
58	S	59.1	Low	53.2	Low	47 Å²	47	65.9 Å²	65.9	33%	0.329	40%	0.397	S	S	.	.			trans	-60.7	146.6	177.4	89.6	0	0	0	0	111	S60 S61 V62	S58-S60 PolarHBondContact O-N 3.05Å; S58-S60 PolarHBondContact OG-OG 3.26Å; S58-S60 VanDerWaalsContact OG-OG 3.13Å; S58-S61 PolarHBondContact O-N 3.1Å; S58-S61 VanDerWaalsContact O-N 3.15Å; S58-S61 VanDerWaalsContact OG-CB 3.24Å; S58-S61 WeakPolarHBondContact OG-CB 3.48Å; S58-S61 PolarHBondContact OG-N 3.48Å; S58-S61 VanDerWaalsContact OG-N 3.14Å; S58-S61 PolarHBondContact OG-OG 2.88Å; S58-V62 PolarHBondContact O-N 3.36Å; S58-V62 VanDerWaalsContact O-N 3.08Å
59	A	52	Low	51.6	Low	78 Å²	78	67.2 Å²	67.2	65%	0.645	41%	0.41	S	S	*	.	H	α-helix	trans	-61.4	-32.4	-177.4	0	0	0	0	0	112.8	G63	A59-G63 PolarHBondContact O-N 3.43Å
60	S	53.2	Low	50	Low	90 Å²	90	71.3 Å²	71.3	63%	0.629	44%	0.439	S	S	*	.	H	α-helix	trans	-72.8	-34.7	176.4	51.3	0	0	0	0	112.6	S58 N64	S58-S60 PolarHBondContact O-N 3.05Å; S58-S60 PolarHBondContact OG-OG 3.26Å; S58-S60 VanDerWaalsContact OG-OG 3.13Å; S60-N64 PolarHBondContact O-ND2 2.71Å
61	S	52.4	Low	48.9	Very low	36 Å²	36	73.1 Å²	73.1	25%	0.252	46%	0.457	S	S	.	.	H	α-helix	trans	-81.7	-35.8	-177.1	-54.7	0	0	0	0	113.4	S58	S58-S61 PolarHBondContact O-N 3.1Å; S58-S61 VanDerWaalsContact O-N 3.15Å; S58-S61 VanDerWaalsContact OG-CB 3.24Å; S58-S61 WeakPolarHBondContact OG-CB 3.48Å; S58-S61 PolarHBondContact OG-N 3.48Å; S58-S61 VanDerWaalsContact OG-N 3.14Å; S58-S61 PolarHBondContact OG-OG 2.88Å
62	V	49.9	Very low	48.2	Very low	24 Å²	24	67.3 Å²	67.3	15%	0.145	44%	0.435	C	S	.	.	H	α-helix	trans	-85.1	-30.1	-177	-177.8	0	0	0	0	112.3	F55 S58 N64 V65	F55-V62 HydrophobicContact CB-CG1 4.42Å; S58-V62 PolarHBondContact O-N 3.36Å; S58-V62 VanDerWaalsContact O-N 3.08Å; V62-N64 VanDerWaalsContact C-N 3.27Å; V62-N64 PolarHBondContact O-N 2.72Å; V62-V65 PolarHBondContact O-N 2.96Å
63	G	45.1	Very low	47.2	Very low	53 Å²	53	67.7 Å²	67.7	55%	0.546	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.6	-176.1	0	0	0	0	0	114.9	A59	A59-G63 PolarHBondContact O-N 3.43Å
64	N	46.6	Very low	46.3	Very low	148 Å²	148	76.4 Å²	76.4	79%	0.791	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.8	-176.4	-72.7	-29.3	0	0	0	114.4	S60 V62	S60-N64 PolarHBondContact O-ND2 2.71Å; V62-N64 VanDerWaalsContact C-N 3.27Å; V62-N64 PolarHBondContact O-N 2.72Å
65	V	48.5	Very low	45.4	Very low	32 Å²	32	82.8 Å²	82.8	19%	0.194	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-22	-166.5	-177.5	0	0	0	0	113.1	L36 F37 Y39 I41 V62	L36-V65 HydrophobicContact CD2-CG1 4.43Å; F37-V65 HydrophobicContact CB-CG1 4.47Å; F37-V65 HydrophobicContact CD2-CG1 3.65Å; F37-V65 HydrophobicContact CE2-CG1 4.45Å; Y39-V65 HydrophobicContact CD2-CG1 4.48Å; Y39-V65 HydrophobicContact CD2-CG2 4.48Å; Y39-V65 HydrophobicContact CG-CG2 4.37Å; I41-V65 HydrophobicContact CD1-CB 4.44Å; I41-V65 HydrophobicContact CD1-CG1 4.4Å; I41-V65 HydrophobicContact CD1-CG2 4.07Å; V62-V65 PolarHBondContact O-N 2.96Å
66	V	44.9	Very low	44.5	Very low	43 Å²	43	84 Å²	84	26%	0.261	50%	0.496	S	S	.	.			trans	-134.6	103.8	-174.8	-172.3	0	0	0	0	111.3	F37 G68 A69	F37-V66 HydrophobicContact CE2-CG2 4.34Å; V66-G68 PolarHBondContact O-N 3.26Å; V66-G68 VanDerWaalsContact O-N 3.07Å; V66-A69 HydrophobicContact CB-CB 3.93Å; V66-A69 HydrophobicContact CG1-CB 4.01Å; V66-A69 PolarHBondContact O-N 3.48Å
67	E	36.5	Very low	43.4	Very low	210 Å²	210	89.2 Å²	89.2	98%	0.981	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	112.6	165.7	-84.5	-174.7	155.8	0	0	109.3
68	G	36.5	Very low	42.5	Very low	73 Å²	73	95.3 Å²	95.3	75%	0.753	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.4	3.3	177	0	0	0	0	0	116.6	V66 S70	V66-G68 PolarHBondContact O-N 3.26Å; V66-G68 VanDerWaalsContact O-N 3.07Å; G68-S70 VanDerWaalsContact C-N 3.29Å; G68-S70 PolarHBondContact O-N 3.31Å
69	A	32.5	Very low	41.9	Very low	53 Å²	53	96.6 Å²	96.6	44%	0.438	54%	0.542	S	S	.	.			trans	-80.3	72.1	172	0	0	0	0	0	111.6	V66 T71	V66-A69 HydrophobicContact CB-CB 3.93Å; V66-A69 HydrophobicContact CG1-CB 4.01Å; V66-A69 PolarHBondContact O-N 3.48Å; A69-T71 PolarHBondContact O-N 2.74Å
70	S	28.2	Very low	41.7	Very low	99 Å²	99	94 Å²	94	69%	0.692	52%	0.517	S	S	*	.			trans	-71.7	119.4	172.8	57.2	0	0	0	0	111.4	G68	G68-S70 VanDerWaalsContact C-N 3.29Å; G68-S70 PolarHBondContact O-N 3.31Å
71	T	33.5	Very low	41.2	Very low	128 Å²	128	95.2 Å²	95.2	79%	0.785	52%	0.516	S	S	*	.			trans	59.1	87.1	152.3	33	0	0	0	0	118.6	A69	A69-T71 PolarHBondContact O-N 2.74Å
72	I	36.6	Very low	40.9	Very low	84 Å²	84	103.4 Å²	103.4	43%	0.431	54%	0.541	S	S	.	.			trans	-146.5	75.6	147.6	-50.7	175.5	0	0	0	110.3	V54 F56	V54-I72 HydrophobicContact CG1-CD1 3.8Å; F56-I72 HydrophobicContact CD1-CG2 4.12Å; F56-I72 HydrophobicContact CE1-CG2 3.64Å; F56-I72 HydrophobicContact CZ-CG2 4.47Å
73	C	32.8	Very low	41	Very low	75 Å²	75	105 Å²	105	51%	0.507	55%	0.549	S	S	.	.			trans	-133.1	116.9	164	-139.8	0	0	0	0	106.8	G57	G57-C73 PolarHBondContact O-SG 3.49Å
74	R	37.7	Very low	41.1	Very low	245 Å²	245	108.7 Å²	108.7	93%	0.925	56%	0.563	S	S	*	*	S	Bend	trans	153.1	-4.6	154.8	-84.1	177.3	177.7	-179.5	-0.5	117.6
75	R	40.3	Very low	41.5	Very low	152 Å²	152	102.4 Å²	102.4	57%	0.574	53%	0.529	S	S	*	.			trans	-148.7	73.3	177.1	-68.5	-172	170	140.9	-5.8	114.8	H77 R78	R75-H77 PolarHBondContact O-N 3.11Å; R75-R78 HydrophobicContact CB-CB 4.07Å; R75-R78 HydrophobicContact CB-CG 4.3Å; R75-R78 VanDerWaalsContact CD-CD 3.47Å; R75-R78 VanDerWaalsContact NE-CZ 3.25Å; R75-R78 PolarHBondContact O-N 3.37Å
76	L	42	Very low	41.7	Very low	59 Å²	59	108.7 Å²	108.7	31%	0.309	56%	0.556	S	S	.	*	H	α-helix	trans	-52.9	-40.4	173.5	-138.3	91.4	0	0	0	111.6	F56 R78 I80 F102 W106	F56-L76 HydrophobicContact CD1-CD1 4.11Å; F56-L76 HydrophobicContact CG-CD1 4.45Å; L76-R78 PolarHBondContact O-N 3.11Å; L76-I80 WeakPolarHBondContact O-CG1 3.36Å; L76-F102 HydrophobicContact CD1-CE2 4.46Å; L76-W106 HydrophobicContact CD2-CE3 3.97Å; L76-W106 HydrophobicContact CD2-CZ3 4.3Å
77	H	41.1	Very low	42.3	Very low	131 Å²	131	112.8 Å²	112.8	61%	0.606	58%	0.577	S	S	*	*	H	α-helix	trans	-66.2	-34.4	-178.4	-138.3	85.1	0	0	0	113.8	R75 L81	R75-H77 PolarHBondContact O-N 3.11Å; H77-L81 VanDerWaalsContact O-CD1 3.26Å; H77-L81 WeakPolarHBondContact O-CD1 3.38Å; H77-L81 VanDerWaalsContact O-CG 3.25Å; H77-L81 WeakPolarHBondContact O-CG 3.42Å
78	R	43.2	Very low	43.7	Very low	141 Å²	141	103.9 Å²	103.9	53%	0.532	54%	0.539	S	S	.	.	H	α-helix	trans	-86	-20.8	-174.9	-67.3	-161.7	-161	172.6	1.7	114.5	R75 L76	R75-R78 HydrophobicContact CB-CB 4.07Å; R75-R78 HydrophobicContact CB-CG 4.3Å; R75-R78 VanDerWaalsContact CD-CD 3.47Å; R75-R78 VanDerWaalsContact NE-CZ 3.25Å; R75-R78 PolarHBondContact O-N 3.37Å; L76-R78 PolarHBondContact O-N 3.11Å
79	L	46.1	Very low	45.3	Very low	74 Å²	74	102 Å²	102	39%	0.387	51%	0.514	S	S	.	.	H	α-helix	trans	-85.5	-38	-179.5	-122.8	111.7	0	0	0	112	L81 R82	L79-L81 VanDerWaalsContact C-N 3.29Å; L79-L81 PolarHBondContact O-N 2.86Å; L79-R82 PolarHBondContact O-N 3.05Å
80	I	48.4	Very low	47.3	Very low	23 Å²	23	99.5 Å²	99.5	12%	0.118	49%	0.493	C	S	.	.	H	α-helix	trans	-63.4	-37.8	175.5	-61.3	168.6	0	0	0	110.5	L76 R82 I83 W106 V109 Y113	L76-I80 WeakPolarHBondContact O-CG1 3.36Å; I80-R82 PolarHBondContact O-N 2.94Å; I80-R82 VanDerWaalsContact O-N 3.16Å; I80-I83 PolarHBondContact O-N 2.92Å; I80-W106 HydrophobicContact CD1-CE3 4.49Å; I80-W106 HydrophobicContact CD1-CH2 4.16Å; I80-W106 HydrophobicContact CD1-CZ3 3.65Å; I80-W106 HydrophobicContact CG1-CZ3 4.45Å; I80-V109 HydrophobicContact CD1-CG1 3.59Å; I80-V109 HydrophobicContact CG2-CG1 4.47Å; I80-Y113 HydrophobicContact CG2-CD2 4.38Å; I80-Y113 HydrophobicContact CG2-CE2 3.54Å
81	L	42.6	Very low	49.5	Very low	116 Å²	116	94.8 Å²	94.8	61%	0.607	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.2	173.6	-72.2	171.8	0	0	0	114.6	H77 L79	H77-L81 VanDerWaalsContact O-CD1 3.26Å; H77-L81 WeakPolarHBondContact O-CD1 3.38Å; H77-L81 VanDerWaalsContact O-CG 3.25Å; H77-L81 WeakPolarHBondContact O-CG 3.42Å; L79-L81 VanDerWaalsContact C-N 3.29Å; L79-L81 PolarHBondContact O-N 2.86Å
82	R	45.7	Very low	51.4	Low	208 Å²	208	90.2 Å²	90.2	79%	0.785	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-10.6	-179	-76.6	-176.4	175.9	-179.2	-0.9	114.5	L79 I80	L79-R82 PolarHBondContact O-N 3.05Å; I80-R82 PolarHBondContact O-N 2.94Å; I80-R82 VanDerWaalsContact O-N 3.16Å
83	I	52.3	Low	53.3	Low	59 Å²	59	87.8 Å²	87.8	30%	0.303	42%	0.42	S	S	.	.	S	Bend	trans	-97	114	177.5	-41.6	178.7	0	0	0	107	F28 I80 L85	F28-I83 HydrophobicContact CZ-CG2 4.26Å; I80-I83 PolarHBondContact O-N 2.92Å; I83-L85 VanDerWaalsContact C-N 3.28Å; I83-L85 HydrophobicContact CB-CD1 3.69Å; I83-L85 HydrophobicContact CB-CG 3.7Å; I83-L85 HydrophobicContact CD1-CD1 4.3Å; I83-L85 HydrophobicContact CG2-CD1 3.74Å; I83-L85 HydrophobicContact CG2-CD2 3.76Å; I83-L85 HydrophobicContact CG2-CG 3.43Å; I83-L85 VanDerWaalsContact CG2-CG 3.43Å; I83-L85 WeakPolarHBondContact O-CB 3.3Å; I83-L85 PolarHBondContact O-N 3.36Å
84	P	47.7	Very low	55.4	Low	129 Å²	129	87.6 Å²	87.6	84%	0.838	42%	0.417	S	S	*	.			trans	-72.1	89.5	179.4	29.9	-31.3	0	0	0	107.9
85	L	54.8	Low	57.1	Low	16 Å²	16	84.1 Å²	84.1	8%	0.084	41%	0.408	C	S	.	.			trans	-113	-0.9	-164.5	-87.6	-179.2	0	0	0	114.5	F28 I83 N87 A88 F115	F28-L85 HydrophobicContact CD2-CD2 4.03Å; F28-L85 HydrophobicContact CE2-CD2 4.03Å; F28-L85 HydrophobicContact CG-CD2 4.48Å; F28-L85 HydrophobicContact CZ-CD2 4.46Å; I83-L85 VanDerWaalsContact C-N 3.28Å; I83-L85 HydrophobicContact CB-CD1 3.69Å; I83-L85 HydrophobicContact CB-CG 3.7Å; I83-L85 HydrophobicContact CD1-CD1 4.3Å; I83-L85 HydrophobicContact CG2-CD1 3.74Å; I83-L85 HydrophobicContact CG2-CD2 3.76Å; I83-L85 HydrophobicContact CG2-CG 3.43Å; I83-L85 VanDerWaalsContact CG2-CG 3.43Å; I83-L85 WeakPolarHBondContact O-CB 3.3Å; I83-L85 PolarHBondContact O-N 3.36Å; L85-N87 PolarHBondContact O-N 3.33Å; L85-N87 VanDerWaalsContact O-N 3.12Å; L85-A88 HydrophobicContact CD2-CB 3.53Å; L85-A88 WeakPolarHBondContact O-CB 3.45Å; L85-A88 PolarHBondContact O-N 2.93Å; L85-F115 HydrophobicContact CB-CE1 3.6Å; L85-F115 HydrophobicContact CB-CZ 4.01Å; L85-F115 HydrophobicContact CD1-CE1 3.88Å; L85-F115 HydrophobicContact CD1-CZ 3.9Å; L85-F115 HydrophobicContact CD2-CE1 4.22Å; L85-F115 HydrophobicContact CG-CE1 4.06Å; L85-F115 HydrophobicContact CG-CZ 4.47Å
86	Q	51.6	Low	58.6	Low	165 Å²	165	82.2 Å²	82.2	77%	0.771	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	123.4	172	-88.8	-177.4	-17.1	0	0	109.7	A88	Q86-A88 VanDerWaalsContact C-N 3.33Å; Q86-A88 PolarHBondContact O-N 3.02Å
87	N	57.9	Low	60.1	Low	129 Å²	129	87 Å²	87	69%	0.69	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	18.1	-177.4	-51.9	-30.6	0	0	0	116.2	L85 N114	L85-N87 PolarHBondContact O-N 3.33Å; L85-N87 VanDerWaalsContact O-N 3.12Å; N87-N114 PolarHBondContact N-O 2.88Å
88	A	66.4	Low	61.4	Low	23 Å²	23	82.9 Å²	82.9	19%	0.19	41%	0.411	C	S	.	.			trans	-74.7	147.3	173.1	0	0	0	0	0	111.9	L85 Q86 F115 N116	L85-A88 HydrophobicContact CD2-CB 3.53Å; L85-A88 WeakPolarHBondContact O-CB 3.45Å; L85-A88 PolarHBondContact O-N 2.93Å; Q86-A88 VanDerWaalsContact C-N 3.33Å; Q86-A88 PolarHBondContact O-N 3.02Å; A88-F115 HydrophobicContact CB-CD1 4.4Å; A88-N116 PolarHBondContact O-N 2.92Å
89	S	70.4	Confident	62.6	Low	32 Å²	32	81.2 Å²	81.2	22%	0.224	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	122	172.4	-61.4	0	0	0	0	110.7	L27 F28 N116	L27-S89 WeakPolarHBondContact CA-O 3.43Å; F28-S89 PolarHBondContact N-O 3.25Å; F28-S89 VanDerWaalsContact N-O 3.09Å; S89-N116 CarbonylContact C-O 3.52Å; S89-N116 VanDerWaalsContact CA-O 3.25Å; S89-N116 WeakPolarHBondContact CA-O 3.25Å
90	V	73.7	Confident	63.8	Low	1 Å²	1	79.3 Å²	79.3	1%	0.006	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.3	-179.8	-178.8	0	0	0	0	109.8	F28 I30 F110 F115 N116 I117 V118	F28-V90 HydrophobicContact CB-CG2 4.44Å; F28-V90 CarbonylContact O-C 3.52Å; F28-V90 WeakPolarHBondContact O-CA 3.34Å; I30-V90 HydrophobicContact CB-CG1 4.45Å; I30-V90 HydrophobicContact CD1-CG1 4.19Å; I30-V90 HydrophobicContact CG1-CG1 4.15Å; V90-F110 HydrophobicContact CB-CZ 4.45Å; V90-F110 HydrophobicContact CG1-CE2 4.17Å; V90-F110 HydrophobicContact CG1-CZ 4.07Å; V90-F115 HydrophobicContact CB-CB 4.42Å; V90-F115 HydrophobicContact CB-CD1 4.49Å; V90-F115 HydrophobicContact CG2-CB 4.05Å; V90-F115 HydrophobicContact CG2-CD1 3.32Å; V90-F115 HydrophobicContact CG2-CE1 3.7Å; V90-F115 HydrophobicContact CG2-CG 3.75Å; V90-F115 HydrophobicContact CG2-CZ 4.49Å; V90-N116 PolarHBondContact N-O 2.94Å; V90-I117 CarbonylContact O-C 3.58Å; V90-I117 VanDerWaalsContact O-CA 3.29Å; V90-I117 WeakPolarHBondContact O-CA 3.42Å; V90-V118 PolarHBondContact O-N 2.79Å
91	G	74.8	Confident	64.7	Low	0 Å²	0	87 Å²	87	0%	0	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	127.3	171.6	0	0	0	0	0	110.7	F28 F29 I30 V118	F28-G91 PolarHBondContact O-N 2.94Å; F29-G91 WeakPolarHBondContact CD2-O 3.43Å; I30-G91 PolarHBondContact N-O 3.16Å; G91-V118 VanDerWaalsContact CA-O 3.32Å; G91-V118 WeakPolarHBondContact CA-O 3.45Å
92	S	73.8	Confident	65.9	Low	32 Å²	32	83.8 Å²	83.8	22%	0.224	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.9	175.8	-174.2	0	0	0	0	110.7	V94 V118 D119 V120	S92-V94 PolarHBondContact O-N 3.45Å; S92-V118 PolarHBondContact N-O 2.81Å; S92-D119 WeakPolarHBondContact O-CA 3.32Å; S92-V120 PolarHBondContact O-N 3.4Å
93	F	75.2	Confident	67	Low	33 Å²	33	74 Å²	74	15%	0.145	40%	0.4	C	S	.	.			trans	-81.7	94.3	167.7	-71.3	-81.5	0	0	0	108.4	F29 Y31 K95 E96 V120 F124	F29-F93 HydrophobicContact CE2-CD2 4Å; F29-F93 AromaticContact CE2-CE2 3.61Å; F29-F93 HydrophobicContact CE2-CE2 3.61Å; F29-F93 HydrophobicContact CE2-CZ 4.43Å; F29-F93 HydrophobicContact CZ-CD2 4.26Å; F29-F93 AromaticContact CZ-CE2 3.67Å; F29-F93 HydrophobicContact CZ-CE2 3.67Å; Y31-F93 HydrophobicContact CD1-CD2 4.18Å; Y31-F93 HydrophobicContact CD1-CE2 4.16Å; Y31-F93 AromaticContact CD2-CD2 3.62Å; Y31-F93 HydrophobicContact CD2-CD2 3.62Å; Y31-F93 HydrophobicContact CD2-CE2 4.38Å; Y31-F93 HydrophobicContact CE1-CD2 4.21Å; Y31-F93 HydrophobicContact CE1-CE2 4.29Å; Y31-F93 HydrophobicContact CE2-CB 4.17Å; Y31-F93 AromaticContact CE2-CD2 3.71Å; Y31-F93 HydrophobicContact CE2-CD2 3.71Å; Y31-F93 HydrophobicContact CE2-CG 4.32Å; Y31-F93 AromaticContact CG-CD2 3.89Å; Y31-F93 HydrophobicContact CG-CD2 3.89Å; Y31-F93 HydrophobicContact CG-CE2 4.2Å; F93-K95 PolarHBondContact O-N 3.23Å; F93-K95 VanDerWaalsContact O-N 3.09Å; F93-E96 HydrophobicContact CB-CB 4Å; F93-E96 HydrophobicContact CB-CG 3.92Å; F93-E96 PolarHBondContact O-N 3.35Å; F93-V120 HydrophobicContact CD1-CG2 4.41Å; F93-V120 HydrophobicContact CD2-CG2 4.34Å; F93-V120 HydrophobicContact CE1-CG2 4.34Å; F93-V120 HydrophobicContact CE2-CG2 4.29Å; F93-V120 HydrophobicContact CG-CG2 4.41Å; F93-V120 HydrophobicContact CZ-CG2 4.28Å; F93-F124 HydrophobicContact CE1-CB 4.04Å; F93-F124 HydrophobicContact CE1-CG 4.36Å; F93-F124 HydrophobicContact CZ-CB 3.9Å; F93-F124 HydrophobicContact CZ-CD1 4.14Å; F93-F124 AromaticContact CZ-CD2 4Å; F93-F124 HydrophobicContact CZ-CD2 4Å; F93-F124 AromaticContact CZ-CG 3.75Å; F93-F124 HydrophobicContact CZ-CG 3.75Å
94	V	76.7	Confident	67.9	Low	72 Å²	72	75.5 Å²	75.5	44%	0.436	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.3	-167.1	-178.2	0	0	0	0	113.4	S92 I117 D119	S92-V94 PolarHBondContact O-N 3.45Å; V94-I117 HydrophobicContact CG2-CG2 4.15Å; V94-D119 HydrophobicContact CB-CB 4.41Å; V94-D119 HydrophobicContact CG2-CB 3.69Å
95	K	74.5	Confident	68.9	Low	171 Å²	171	71.7 Å²	71.7	74%	0.743	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-11.5	179	-65.2	-174.1	178.6	-177.7	0	114.3	F93	F93-K95 PolarHBondContact O-N 3.23Å; F93-K95 VanDerWaalsContact O-N 3.09Å
96	E	71.5	Confident	69.7	Low	112 Å²	112	72 Å²	72	52%	0.523	39%	0.388	S	S	.	.			trans	-99.4	119.2	-177.3	-64.6	-66.9	158.1	0	0	108.7	Y31 F93 P98	Y31-E96 HydrophobicContact CE2-CB 4.25Å; F93-E96 HydrophobicContact CB-CB 4Å; F93-E96 HydrophobicContact CB-CG 3.92Å; F93-E96 PolarHBondContact O-N 3.35Å; E96-P98 WeakPolarHBondContact O-CD 3.38Å
97	H	74.3	Confident	70.8	Confident	159 Å²	159	67.4 Å²	67.4	74%	0.736	37%	0.369	S	S	*	.			trans	-115	86.9	178.2	-62.8	-56.8	0	0	0	108.7	S99	H97-S99 PolarHBondContact O-N 3.48Å
98	P	68.3	Low	71.5	Confident	45 Å²	45	66.5 Å²	66.5	29%	0.292	36%	0.36	S	S	.	.			trans	-63	133.7	176	26.8	-32.5	0	0	0	109.2	L32 E96 A103	L32-P98 HydrophobicContact CB-CB 4.22Å; L32-P98 HydrophobicContact CB-CG 4.11Å; L32-P98 HydrophobicContact CD1-CG 4.41Å; E96-P98 WeakPolarHBondContact O-CD 3.38Å; P98-A103 HydrophobicContact CB-CB 4.03Å; P98-A103 HydrophobicContact CG-CB 4.37Å; P98-A103 WeakPolarHBondContact O-CB 3.17Å
99	S	69.1	Low	71.8	Confident	106 Å²	106	66.5 Å²	66.5	74%	0.741	36%	0.358	S	S	*	.			trans	-114.1	155.7	177.4	58.2	0	0	0	0	110.8	H97	H97-S99 PolarHBondContact O-N 3.48Å
100	G	70.2	Confident	72	Confident	34 Å²	34	66.6 Å²	66.6	35%	0.351	35%	0.354	S	S	.	.	S	Bend	trans	126.8	159.4	178.3	0	0	0	0	0	111.4	F102 A103 D104	G100-F102 VanDerWaalsContact C-N 3.25Å; G100-F102 PolarHBondContact O-N 3.45Å; G100-A103 CarbonylContact O-C 3.59Å; G100-A103 WeakPolarHBondContact O-CA 3.27Å; G100-A103 PolarHBondContact O-N 3.04Å; G100-D104 PolarHBondContact N-OD2 2.8Å; G100-D104 PolarHBondContact O-N 2.83Å
101	E	68.2	Low	72	Confident	186 Å²	186	70.8 Å²	70.8	87%	0.869	38%	0.384	S	S	*	.	H	α-helix	trans	-46.7	-46.3	-171.1	-65.9	179.7	-176	0	0	113.5	A105	E101-A105 VanDerWaalsContact O-CB 3.25Å; E101-A105 WeakPolarHBondContact O-CB 3.5Å; E101-A105 PolarHBondContact O-N 3.45Å; E101-A105 VanDerWaalsContact O-N 3.08Å
102	F	66.2	Low	72	Confident	47 Å²	47	77.2 Å²	77.2	21%	0.206	41%	0.412	C	S	.	.	H	α-helix	trans	-69	-40.3	178.2	-179.1	-92	0	0	0	113.2	L32 D43 L45 L76 G100 W106	L32-F102 HydrophobicContact CD1-CD1 3.91Å; L32-F102 HydrophobicContact CD1-CE1 3.89Å; L32-F102 HydrophobicContact CD2-CD1 3.52Å; L32-F102 HydrophobicContact CD2-CE1 3.7Å; L32-F102 HydrophobicContact CG-CD1 4.06Å; L32-F102 HydrophobicContact CG-CE1 3.88Å; D43-F102 HydrophobicContact CB-CB 4.34Å; D43-F102 HydrophobicContact CB-CG 4.31Å; L45-F102 HydrophobicContact CB-CE1 3.97Å; L45-F102 HydrophobicContact CB-CZ 3.89Å; L76-F102 HydrophobicContact CD1-CE2 4.46Å; G100-F102 VanDerWaalsContact C-N 3.25Å; G100-F102 PolarHBondContact O-N 3.45Å; F102-W106 VanDerWaalsContact O-CB 3.31Å; F102-W106 WeakPolarHBondContact O-CB 3.48Å; F102-W106 PolarHBondContact O-N 2.71Å
103	A	68.7	Low	71.9	Confident	4 Å²	4	78.9 Å²	78.9	3%	0.033	41%	0.414	C	S	.	.	H	α-helix	trans	-70.8	-40.1	-180	0	0	0	0	0	111.8	L32 P98 G100 W106 N107	L32-A103 HydrophobicContact CD1-CB 3.88Å; P98-A103 HydrophobicContact CB-CB 4.03Å; P98-A103 HydrophobicContact CG-CB 4.37Å; P98-A103 WeakPolarHBondContact O-CB 3.17Å; G100-A103 CarbonylContact O-C 3.59Å; G100-A103 WeakPolarHBondContact O-CA 3.27Å; G100-A103 PolarHBondContact O-N 3.04Å; A103-W106 WeakPolarHBondContact O-CB 3.36Å; A103-W106 PolarHBondContact O-N 2.93Å; A103-N107 WeakPolarHBondContact O-CB 3.28Å; A103-N107 PolarHBondContact O-N 2.8Å; A103-N107 PolarHBondContact O-ND2 3.01Å; A103-N107 VanDerWaalsContact O-ND2 3.14Å
104	D	71.6	Confident	71.7	Confident	89 Å²	89	83.3 Å²	83.3	48%	0.476	44%	0.439	S	S	.	.	H	α-helix	trans	-68.2	-45.2	178.6	-63.4	-34.6	0	0	0	110.8	G100 W106 N107 E108	G100-D104 PolarHBondContact N-OD2 2.8Å; G100-D104 PolarHBondContact O-N 2.83Å; D104-W106 VanDerWaalsContact C-N 3.3Å; D104-W106 PolarHBondContact O-N 2.88Å; D104-N107 PolarHBondContact O-N 3.35Å; D104-E108 WeakPolarHBondContact O-CB 3.33Å; D104-E108 PolarHBondContact O-N 3.33Å
105	A	70.1	Confident	71.5	Confident	49 Å²	49	81 Å²	81	41%	0.405	42%	0.423	S	S	.	.	H	α-helix	trans	-60.3	-39.5	172.1	0	0	0	0	0	112.2	E101 V109	E101-A105 VanDerWaalsContact O-CB 3.25Å; E101-A105 WeakPolarHBondContact O-CB 3.5Å; E101-A105 PolarHBondContact O-N 3.45Å; E101-A105 VanDerWaalsContact O-N 3.08Å; A105-V109 WeakPolarHBondContact O-CG2 3.44Å; A105-V109 PolarHBondContact O-N 3.2Å; A105-V109 VanDerWaalsContact O-N 3.12Å
106	W	71.5	Confident	71.6	Confident	23 Å²	23	77.3 Å²	77.3	9%	0.087	41%	0.412	C	S	.	.	H	α-helix	trans	-64.3	-46.3	174.2	175.6	-97.8	0	0	0	111.8	I30 L32 L45 I47 L76 I80 F102 A103 D104 E108 V109 F110	I30-W106 HydrophobicContact CB-CZ2 4.3Å; I30-W106 HydrophobicContact CD1-CH2 4.24Å; I30-W106 HydrophobicContact CD1-CZ2 3.86Å; I30-W106 HydrophobicContact CG2-CH2 4.02Å; I30-W106 HydrophobicContact CG2-CZ2 3.3Å; L32-W106 HydrophobicContact CD1-CB 4.36Å; L32-W106 HydrophobicContact CD1-CG 4.42Å; L45-W106 HydrophobicContact CD1-CD2 4.08Å; L45-W106 HydrophobicContact CD1-CE3 4.47Å; L45-W106 HydrophobicContact CD1-CG 4.43Å; L45-W106 HydrophobicContact CD1-CZ2 4.47Å; L45-W106 HydrophobicContact CD2-CD2 4.05Å; L45-W106 HydrophobicContact CD2-CE3 3.6Å; L45-W106 HydrophobicContact CD2-CH2 3.73Å; L45-W106 HydrophobicContact CD2-CZ2 4.18Å; L45-W106 HydrophobicContact CD2-CZ3 3.39Å; I47-W106 HydrophobicContact CD1-CH2 4.35Å; L76-W106 HydrophobicContact CD2-CE3 3.97Å; L76-W106 HydrophobicContact CD2-CZ3 4.3Å; I80-W106 HydrophobicContact CD1-CE3 4.49Å; I80-W106 HydrophobicContact CD1-CH2 4.16Å; I80-W106 HydrophobicContact CD1-CZ3 3.65Å; I80-W106 HydrophobicContact CG1-CZ3 4.45Å; F102-W106 VanDerWaalsContact O-CB 3.31Å; F102-W106 WeakPolarHBondContact O-CB 3.48Å; F102-W106 PolarHBondContact O-N 2.71Å; A103-W106 WeakPolarHBondContact O-CB 3.36Å; A103-W106 PolarHBondContact O-N 2.93Å; D104-W106 VanDerWaalsContact C-N 3.3Å; D104-W106 PolarHBondContact O-N 2.88Å; W106-E108 VanDerWaalsContact C-N 3.32Å; W106-E108 PolarHBondContact O-N 3.22Å; W106-V109 PolarHBondContact O-N 3.4Å; W106-F110 AromaticContact CZ2-CD2 3.87Å; W106-F110 HydrophobicContact CZ2-CD2 3.87Å; W106-F110 WeakPolarHBondContact O-CB 3.48Å; W106-F110 PolarHBondContact O-N 3.05Å
107	N	74	Confident	71.9	Confident	69 Å²	69	76.1 Å²	76.1	37%	0.369	41%	0.408	S	S	.	.	H	α-helix	trans	-62.4	-39.2	179	-72.3	-30	0	0	0	111.5	A103 D104 F110 S111	A103-N107 WeakPolarHBondContact O-CB 3.28Å; A103-N107 PolarHBondContact O-N 2.8Å; A103-N107 PolarHBondContact O-ND2 3.01Å; A103-N107 VanDerWaalsContact O-ND2 3.14Å; D104-N107 PolarHBondContact O-N 3.35Å; N107-F110 PolarHBondContact O-N 3.41Å; N107-S111 WeakPolarHBondContact O-CB 3.36Å; N107-S111 PolarHBondContact O-N 2.95Å; N107-S111 PolarHBondContact O-OG 2.84Å
108	E	73.3	Confident	72.2	Confident	109 Å²	109	70.4 Å²	70.4	51%	0.509	38%	0.384	S	S	.	.	H	α-helix	trans	-61.4	-45.5	174.4	-162	-148.7	135	0	0	111.3	D104 W106 S111 K112	D104-E108 WeakPolarHBondContact O-CB 3.33Å; D104-E108 PolarHBondContact O-N 3.33Å; W106-E108 VanDerWaalsContact C-N 3.32Å; W106-E108 PolarHBondContact O-N 3.22Å; E108-S111 PolarHBondContact O-OG 3.01Å; E108-K112 WeakPolarHBondContact O-CG 3.37Å; E108-K112 WeakPolarHBondContact OE1-CE 3.18Å; E108-K112 IonicContact OE1-NZ 3.75Å; E108-K112 PolarHBondContact OE1-NZ 2.94Å
109	V	72.3	Confident	72.8	Confident	24 Å²	24	71.6 Å²	71.6	15%	0.145	39%	0.388	C	S	.	.	H	α-helix	trans	-67.6	-41.1	175.8	175.8	0	0	0	0	111.5	I80 A105 W106 S111 K112 Y113	I80-V109 HydrophobicContact CD1-CG1 3.59Å; I80-V109 HydrophobicContact CG2-CG1 4.47Å; A105-V109 WeakPolarHBondContact O-CG2 3.44Å; A105-V109 PolarHBondContact O-N 3.2Å; A105-V109 VanDerWaalsContact O-N 3.12Å; W106-V109 PolarHBondContact O-N 3.4Å; V109-S111 VanDerWaalsContact C-N 3.35Å; V109-S111 PolarHBondContact O-N 2.74Å; V109-K112 WeakPolarHBondContact O-CB 3.11Å; V109-K112 PolarHBondContact O-N 2.85Å; V109-Y113 HydrophobicContact CG1-CE2 4.33Å; V109-Y113 VanDerWaalsContact O-CD2 3.29Å; V109-Y113 WeakPolarHBondContact O-CD2 3.37Å
110	F	73.6	Confident	73.1	Confident	33 Å²	33	66.9 Å²	66.9	15%	0.145	36%	0.355	C	S	.	.	H	α-helix	trans	-65.1	-38.7	-178.2	-169.1	-100.4	0	0	0	111.7	I30 V90 W106 N107 K112 Y113 F115 I117	I30-F110 HydrophobicContact CD1-CE2 4.2Å; V90-F110 HydrophobicContact CB-CZ 4.45Å; V90-F110 HydrophobicContact CG1-CE2 4.17Å; V90-F110 HydrophobicContact CG1-CZ 4.07Å; W106-F110 AromaticContact CZ2-CD2 3.87Å; W106-F110 HydrophobicContact CZ2-CD2 3.87Å; W106-F110 WeakPolarHBondContact O-CB 3.48Å; W106-F110 PolarHBondContact O-N 3.05Å; N107-F110 PolarHBondContact O-N 3.41Å; F110-K112 VanDerWaalsContact C-N 3.26Å; F110-K112 PolarHBondContact O-N 3.2Å; F110-Y113 PolarHBondContact O-N 3Å; F110-F115 HydrophobicContact CD2-CD2 4.03Å; F110-F115 AromaticContact CD2-CE2 3.81Å; F110-F115 HydrophobicContact CD2-CE2 3.81Å; F110-F115 HydrophobicContact CE1-CD2 4.2Å; F110-F115 AromaticContact CE2-CD2 3.58Å; F110-F115 HydrophobicContact CE2-CD2 3.58Å; F110-F115 AromaticContact CE2-CE2 3.64Å; F110-F115 HydrophobicContact CE2-CE2 3.64Å; F110-F115 HydrophobicContact CE2-CG 4.39Å; F110-F115 HydrophobicContact CE2-CZ 4.48Å; F110-F115 HydrophobicContact CZ-CB 4.42Å; F110-F115 AromaticContact CZ-CD2 3.68Å; F110-F115 HydrophobicContact CZ-CD2 3.68Å; F110-F115 HydrophobicContact CZ-CE2 4.23Å; F110-F115 HydrophobicContact CZ-CG 4.27Å; F110-I117 HydrophobicContact CE1-CD1 3.97Å; F110-I117 HydrophobicContact CE1-CG1 4.4Å
111	S	75	Confident	73.4	Confident	90 Å²	90	67.8 Å²	67.8	63%	0.629	35%	0.354	S	S	*	.	H	α-helix	trans	-66.2	-21.7	178	69.6	0	0	0	0	114.3	N107 E108 V109 Y113	N107-S111 WeakPolarHBondContact O-CB 3.36Å; N107-S111 PolarHBondContact O-N 2.95Å; N107-S111 PolarHBondContact O-OG 2.84Å; E108-S111 PolarHBondContact O-OG 3.01Å; V109-S111 VanDerWaalsContact C-N 3.35Å; V109-S111 PolarHBondContact O-N 2.74Å; S111-Y113 PolarHBondContact O-N 2.88Å
112	K	74.6	Confident	73.7	Confident	134 Å²	134	63.8 Å²	63.8	58%	0.583	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.2	175.7	-67.8	170.9	-172.8	171.3	0	113.2	E108 V109 F110	E108-K112 WeakPolarHBondContact O-CG 3.37Å; E108-K112 WeakPolarHBondContact OE1-CE 3.18Å; E108-K112 IonicContact OE1-NZ 3.75Å; E108-K112 PolarHBondContact OE1-NZ 2.94Å; V109-K112 WeakPolarHBondContact O-CB 3.11Å; V109-K112 PolarHBondContact O-N 2.85Å; F110-K112 VanDerWaalsContact C-N 3.26Å; F110-K112 PolarHBondContact O-N 3.2Å
113	Y	71.8	Confident	74	Confident	67 Å²	67	63.1 Å²	63.1	26%	0.263	34%	0.342	S	S	.	.	S	Bend	trans	-117.7	137.8	-178.1	-64.8	-84.8	0	0	0	112	I80 V109 F110 S111 F115	I80-Y113 HydrophobicContact CG2-CD2 4.38Å; I80-Y113 HydrophobicContact CG2-CE2 3.54Å; V109-Y113 HydrophobicContact CG1-CE2 4.33Å; V109-Y113 VanDerWaalsContact O-CD2 3.29Å; V109-Y113 WeakPolarHBondContact O-CD2 3.37Å; F110-Y113 PolarHBondContact O-N 3Å; S111-Y113 PolarHBondContact O-N 2.88Å; Y113-F115 HydrophobicContact CD2-CE2 4.34Å; Y113-F115 HydrophobicContact CG-CE2 4.04Å; Y113-F115 HydrophobicContact CG-CZ 4.24Å; Y113-F115 PolarHBondContact O-N 2.99Å; Y113-F115 VanDerWaalsContact O-N 3.15Å
114	N	70	Confident	74.1	Confident	127 Å²	127	65.1 Å²	65.1	68%	0.679	35%	0.35	S	S	*	.			trans	-87.3	85.7	179.9	-149.2	11.3	0	0	0	110.9	N87	N87-N114 PolarHBondContact N-O 2.88Å
115	F	73.9	Confident	74.1	Confident	24 Å²	24	63 Å²	63	11%	0.105	35%	0.349	C	S	.	.			trans	-93	146.5	179	-68.7	-66.7	0	0	0	112.5	L85 A88 V90 F110 Y113 I117	L85-F115 HydrophobicContact CB-CE1 3.6Å; L85-F115 HydrophobicContact CB-CZ 4.01Å; L85-F115 HydrophobicContact CD1-CE1 3.88Å; L85-F115 HydrophobicContact CD1-CZ 3.9Å; L85-F115 HydrophobicContact CD2-CE1 4.22Å; L85-F115 HydrophobicContact CG-CE1 4.06Å; L85-F115 HydrophobicContact CG-CZ 4.47Å; A88-F115 HydrophobicContact CB-CD1 4.4Å; V90-F115 HydrophobicContact CB-CB 4.42Å; V90-F115 HydrophobicContact CB-CD1 4.49Å; V90-F115 HydrophobicContact CG2-CB 4.05Å; V90-F115 HydrophobicContact CG2-CD1 3.32Å; V90-F115 HydrophobicContact CG2-CE1 3.7Å; V90-F115 HydrophobicContact CG2-CG 3.75Å; V90-F115 HydrophobicContact CG2-CZ 4.49Å; F110-F115 HydrophobicContact CD2-CD2 4.03Å; F110-F115 AromaticContact CD2-CE2 3.81Å; F110-F115 HydrophobicContact CD2-CE2 3.81Å; F110-F115 HydrophobicContact CE1-CD2 4.2Å; F110-F115 AromaticContact CE2-CD2 3.58Å; F110-F115 HydrophobicContact CE2-CD2 3.58Å; F110-F115 AromaticContact CE2-CE2 3.64Å; F110-F115 HydrophobicContact CE2-CE2 3.64Å; F110-F115 HydrophobicContact CE2-CG 4.39Å; F110-F115 HydrophobicContact CE2-CZ 4.48Å; F110-F115 HydrophobicContact CZ-CB 4.42Å; F110-F115 AromaticContact CZ-CD2 3.68Å; F110-F115 HydrophobicContact CZ-CD2 3.68Å; F110-F115 HydrophobicContact CZ-CE2 4.23Å; F110-F115 HydrophobicContact CZ-CG 4.27Å; Y113-F115 HydrophobicContact CD2-CE2 4.34Å; Y113-F115 HydrophobicContact CG-CE2 4.04Å; Y113-F115 HydrophobicContact CG-CZ 4.24Å; Y113-F115 PolarHBondContact O-N 2.99Å; Y113-F115 VanDerWaalsContact O-N 3.15Å; F115-I117 HydrophobicContact CB-CG1 4.46Å; F115-I117 PolarHBondContact O-N 2.81Å
116	N	75.6	Confident	74	Confident	93 Å²	93	66.7 Å²	66.7	50%	0.497	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	96.9	166.6	180	10.8	0	0	0	109.4	A88 S89 V90	A88-N116 PolarHBondContact O-N 2.92Å; S89-N116 CarbonylContact C-O 3.52Å; S89-N116 VanDerWaalsContact CA-O 3.25Å; S89-N116 WeakPolarHBondContact CA-O 3.25Å; V90-N116 PolarHBondContact N-O 2.94Å
117	I	77.7	Confident	73.9	Confident	86 Å²	86	66.6 Å²	66.6	44%	0.441	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124.5	-176.5	-56	174.2	0	0	0	110.1	V90 V94 F110 F115	V90-I117 CarbonylContact O-C 3.58Å; V90-I117 VanDerWaalsContact O-CA 3.29Å; V90-I117 WeakPolarHBondContact O-CA 3.42Å; V94-I117 HydrophobicContact CG2-CG2 4.15Å; F110-I117 HydrophobicContact CE1-CD1 3.97Å; F110-I117 HydrophobicContact CE1-CG1 4.4Å; F115-I117 HydrophobicContact CB-CG1 4.46Å; F115-I117 PolarHBondContact O-N 2.81Å
118	V	81	Confident	73.7	Confident	40 Å²	40	67 Å²	67	24%	0.242	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128	177.5	179.1	0	0	0	0	109.1	W24 L27 V90 G91 S92 V120	W24-V118 HydrophobicContact CH2-CG1 3.99Å; W24-V118 HydrophobicContact CZ3-CG1 4.09Å; L27-V118 HydrophobicContact CD1-CG2 4.22Å; L27-V118 HydrophobicContact CD2-CB 4.08Å; L27-V118 HydrophobicContact CD2-CG1 4.36Å; V90-V118 PolarHBondContact O-N 2.79Å; G91-V118 VanDerWaalsContact CA-O 3.32Å; G91-V118 WeakPolarHBondContact CA-O 3.45Å; S92-V118 PolarHBondContact N-O 2.81Å; V118-V120 PolarHBondContact O-N 3.01Å
119	D	80.1	Confident	73.5	Confident	70 Å²	70	65 Å²	65	37%	0.374	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	120.2	176.1	-175.2	10.1	0	0	0	111	S92 V94 T121	S92-D119 WeakPolarHBondContact O-CA 3.32Å; V94-D119 HydrophobicContact CB-CB 4.41Å; V94-D119 HydrophobicContact CG2-CB 3.69Å; D119-T121 WeakPolarHBondContact OD1-CB 3.33Å; D119-T121 PolarHBondContact OD1-N 3.05Å; D119-T121 PolarHBondContact OD1-OG1 2.75Å
120	V	76.9	Confident	73.5	Confident	7 Å²	7	68.4 Å²	68.4	4%	0.042	39%	0.386	C	S	.	.			trans	-103.1	6.4	179.2	-60.9	0	0	0	0	113.7	L27 F29 S92 F93 V118 V122 P123 F124	L27-V120 HydrophobicContact CD2-CG1 4.22Å; F29-V120 HydrophobicContact CD2-CG2 3.75Å; F29-V120 HydrophobicContact CE2-CG2 3.6Å; S92-V120 PolarHBondContact O-N 3.4Å; F93-V120 HydrophobicContact CD1-CG2 4.41Å; F93-V120 HydrophobicContact CD2-CG2 4.34Å; F93-V120 HydrophobicContact CE1-CG2 4.34Å; F93-V120 HydrophobicContact CE2-CG2 4.29Å; F93-V120 HydrophobicContact CG-CG2 4.41Å; F93-V120 HydrophobicContact CZ-CG2 4.28Å; V118-V120 PolarHBondContact O-N 3.01Å; V120-V122 PolarHBondContact O-N 3.46Å; V120-P123 VanDerWaalsContact O-CD 3.31Å; V120-P123 WeakPolarHBondContact O-CD 3.38Å; V120-F124 HydrophobicContact CB-CD2 4Å; V120-F124 HydrophobicContact CB-CE2 4.3Å; V120-F124 HydrophobicContact CG2-CD2 3.98Å; V120-F124 HydrophobicContact CG2-CE2 4.15Å; V120-F124 PolarHBondContact O-N 3.31Å
121	T	75	Confident	73.6	Confident	53 Å²	53	70.1 Å²	70.1	33%	0.325	39%	0.393	S	S	.	.	H	α-helix	trans	-55.1	-51.8	-178.4	-55.7	0	0	0	0	112.3	D119 F124 G125	D119-T121 WeakPolarHBondContact OD1-CB 3.33Å; D119-T121 PolarHBondContact OD1-N 3.05Å; D119-T121 PolarHBondContact OD1-OG1 2.75Å; T121-F124 PolarHBondContact O-N 3.43Å; T121-G125 PolarHBondContact O-N 2.77Å
122	V	74.7	Confident	73.7	Confident	102 Å²	102	66.9 Å²	66.9	62%	0.618	37%	0.369	S	S	*	.	H	α-helix	trans	-66.6	-47.9	-178.5	177.1	0	0	0	0	112.3	V120 F124 G125 L126	V120-V122 PolarHBondContact O-N 3.46Å; V122-F124 PolarHBondContact O-N 3.05Å; V122-G125 PolarHBondContact O-N 3.17Å; V122-L126 HydrophobicContact CG1-CD1 4.26Å; V122-L126 WeakPolarHBondContact O-CG 3.4Å; V122-L126 PolarHBondContact O-N 2.73Å
123	P	73.6	Confident	74	Confident	33 Å²	33	69.1 Å²	69.1	21%	0.214	38%	0.381	C	S	.	.	H	α-helix	trans	-54.3	-45.2	173.7	-28.4	32.9	0	0	0	114.5	W24 V120 L126 L127	W24-P123 HydrophobicContact CZ2-CB 4.45Å; W24-P123 HydrophobicContact CZ2-CG 3.89Å; V120-P123 VanDerWaalsContact O-CD 3.31Å; V120-P123 WeakPolarHBondContact O-CD 3.38Å; P123-L126 PolarHBondContact O-N 2.95Å; P123-L127 PolarHBondContact O-N 3.03Å
124	F	70.8	Confident	74.3	Confident	45 Å²	45	67.6 Å²	67.6	20%	0.197	38%	0.38	C	S	.	.	H	α-helix	trans	-68.8	-37.3	177.1	-92	-96.9	0	0	0	112	F29 F93 V120 T121 V122 L126 L127 M128	F29-F124 HydrophobicContact CD2-CE2 4.08Å; F29-F124 HydrophobicContact CD2-CZ 4.44Å; F29-F124 HydrophobicContact CE1-CZ 4.32Å; F29-F124 AromaticContact CE2-CE2 3.84Å; F29-F124 HydrophobicContact CE2-CE2 3.84Å; F29-F124 HydrophobicContact CE2-CZ 4.06Å; F29-F124 HydrophobicContact CZ-CE2 4.23Å; F29-F124 AromaticContact CZ-CZ 3.97Å; F29-F124 HydrophobicContact CZ-CZ 3.97Å; F93-F124 HydrophobicContact CE1-CB 4.04Å; F93-F124 HydrophobicContact CE1-CG 4.36Å; F93-F124 HydrophobicContact CZ-CB 3.9Å; F93-F124 HydrophobicContact CZ-CD1 4.14Å; F93-F124 AromaticContact CZ-CD2 4Å; F93-F124 HydrophobicContact CZ-CD2 4Å; F93-F124 AromaticContact CZ-CG 3.75Å; F93-F124 HydrophobicContact CZ-CG 3.75Å; V120-F124 HydrophobicContact CB-CD2 4Å; V120-F124 HydrophobicContact CB-CE2 4.3Å; V120-F124 HydrophobicContact CG2-CD2 3.98Å; V120-F124 HydrophobicContact CG2-CE2 4.15Å; V120-F124 PolarHBondContact O-N 3.31Å; T121-F124 PolarHBondContact O-N 3.43Å; V122-F124 PolarHBondContact O-N 3.05Å; F124-L126 VanDerWaalsContact C-N 3.32Å; F124-L126 PolarHBondContact O-N 3.39Å; F124-L127 HydrophobicContact CD1-CD2 4.37Å; F124-L127 HydrophobicContact CE1-CD2 4.49Å; F124-L127 WeakPolarHBondContact O-CB 3.24Å; F124-L127 PolarHBondContact O-N 2.97Å; F124-M128 WeakPolarHBondContact O-CB 3.23Å; F124-M128 VanDerWaalsContact O-CG 3.31Å; F124-M128 WeakPolarHBondContact O-CG 3.39Å; F124-M128 PolarHBondContact O-N 3.43Å
125	G	70	Confident	74.6	Confident	44 Å²	44	61.7 Å²	61.7	45%	0.454	35%	0.349	S	S	.	.	H	α-helix	trans	-57.3	-45	172.3	0	0	0	0	0	112.2	T121 V122 M128 A129	T121-G125 PolarHBondContact O-N 2.77Å; V122-G125 PolarHBondContact O-N 3.17Å; G125-M128 PolarHBondContact O-N 2.9Å; G125-A129 WeakPolarHBondContact O-CB 3.28Å; G125-A129 PolarHBondContact O-N 3.12Å
126	L	68.9	Low	75	Confident	127 Å²	127	63.4 Å²	63.4	67%	0.665	36%	0.361	S	S	*	.	H	α-helix	trans	-67.3	-35.4	175.3	-69.1	172.3	0	0	0	112.8	V122 P123 F124 A129	V122-L126 HydrophobicContact CG1-CD1 4.26Å; V122-L126 WeakPolarHBondContact O-CG 3.4Å; V122-L126 PolarHBondContact O-N 2.73Å; P123-L126 PolarHBondContact O-N 2.95Å; F124-L126 VanDerWaalsContact C-N 3.32Å; F124-L126 PolarHBondContact O-N 3.39Å; L126-A129 WeakPolarHBondContact O-CB 3.49Å; L126-A129 PolarHBondContact O-N 3.17Å
127	L	68.9	Low	75.4	Confident	21 Å²	21	61.3 Å²	61.3	11%	0.11	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-45.5	175.5	-173.8	63.9	0	0	0	111.9	R16 L17 I20 P123 F124 A129	R16-L127 HydrophobicContact CB-CD1 3.66Å; R16-L127 HydrophobicContact CB-CG 4.46Å; L17-L127 HydrophobicContact CD1-CD2 4.17Å; I20-L127 HydrophobicContact CD1-CB 3.74Å; I20-L127 HydrophobicContact CD1-CD1 3.42Å; I20-L127 VanDerWaalsContact CD1-CD1 3.42Å; I20-L127 HydrophobicContact CD1-CD2 3.81Å; I20-L127 HydrophobicContact CD1-CG 3.82Å; I20-L127 HydrophobicContact CG1-CD1 3.95Å; P123-L127 PolarHBondContact O-N 3.03Å; F124-L127 HydrophobicContact CD1-CD2 4.37Å; F124-L127 HydrophobicContact CE1-CD2 4.49Å; F124-L127 WeakPolarHBondContact O-CB 3.24Å; F124-L127 PolarHBondContact O-N 2.97Å; L127-A129 VanDerWaalsContact C-N 3.33Å
128	M	69.2	Low	75.7	Confident	79 Å²	79	59.3 Å²	59.3	39%	0.389	35%	0.347	S	S	.	.	H	α-helix	trans	-84	-9.1	-176.4	-63.1	-64.2	-75.5	0	0	112.5	F124 G125 V130 K131	F124-M128 WeakPolarHBondContact O-CB 3.23Å; F124-M128 VanDerWaalsContact O-CG 3.31Å; F124-M128 WeakPolarHBondContact O-CG 3.39Å; F124-M128 PolarHBondContact O-N 3.43Å; G125-M128 PolarHBondContact O-N 2.9Å; M128-V130 VanDerWaalsContact C-N 3.32Å; M128-V130 PolarHBondContact O-N 3.49Å; M128-K131 VanDerWaalsContact O-CE 3.24Å; M128-K131 WeakPolarHBondContact O-CE 3.28Å; M128-K131 PolarHBondContact O-NZ 2.9Å
129	A	69.6	Low	75.8	Confident	66 Å²	66	59.8 Å²	59.8	55%	0.545	35%	0.347	S	S	.	.	S	Bend	trans	-64.1	-34.4	-178.7	0	0	0	0	0	113	G125 L126 L127 K131	G125-A129 WeakPolarHBondContact O-CB 3.28Å; G125-A129 PolarHBondContact O-N 3.12Å; L126-A129 WeakPolarHBondContact O-CB 3.49Å; L126-A129 PolarHBondContact O-N 3.17Å; L127-A129 VanDerWaalsContact C-N 3.33Å; A129-K131 PolarHBondContact O-N 3.1Å
130	V	73.5	Confident	76.2	Confident	96 Å²	96	62.5 Å²	62.5	58%	0.582	36%	0.355	S	S	*	.	S	Bend	trans	-80.6	114	177.3	-178.5	0	0	0	0	108.7	R16 M128	R16-V130 VanDerWaalsContact CZ-O 3.28Å; R16-V130 PolarHBondContact NH1-O 3.46Å; R16-V130 PolarHBondContact NH2-O 2.82Å; M128-V130 VanDerWaalsContact C-N 3.32Å; M128-V130 PolarHBondContact O-N 3.49Å
131	K	75.6	Confident	76.7	Confident	69 Å²	69	64 Å²	64	30%	0.3	37%	0.365	S	S	.	.			trans	-91.4	135.3	179.7	-59.5	-52.2	-171.8	-170.7	0	111.6	M128 A129 E135 V136 I139 Y238	M128-K131 VanDerWaalsContact O-CE 3.24Å; M128-K131 WeakPolarHBondContact O-CE 3.28Å; M128-K131 PolarHBondContact O-NZ 2.9Å; A129-K131 PolarHBondContact O-N 3.1Å; K131-E135 WeakPolarHBondContact CA-OE2 3.46Å; K131-E135 HydrophobicContact CB-CB 3.99Å; K131-E135 HydrophobicContact CD-CB 4.05Å; K131-E135 HydrophobicContact CD-CG 4.48Å; K131-E135 VanDerWaalsContact CD-OE1 3.22Å; K131-E135 WeakPolarHBondContact CD-OE1 3.39Å; K131-E135 HydrophobicContact CG-CB 4.48Å; K131-E135 IonicContact NZ-OE1 3.57Å; K131-E135 PolarHBondContact NZ-OE1 3.44Å; K131-V136 HydrophobicContact CB-CG2 3.72Å; K131-I139 HydrophobicContact CD-CD1 4.35Å; K131-I139 HydrophobicContact CG-CD1 3.83Å; K131-Y238 HydrophobicContact CD-CE1 4.37Å
132	D	76.5	Confident	77.3	Confident	22 Å²	22	61.5 Å²	61.5	12%	0.118	35%	0.349	C	S	.	.			trans	-75.9	173.5	168.5	75.2	36.8	0	0	0	111.9	S134 E135 V136	D132-S134 PolarHBondContact O-N 2.81Å; D132-S134 VanDerWaalsContact OD1-CA 3.32Å; D132-S134 WeakPolarHBondContact OD1-CA 3.49Å; D132-S134 WeakPolarHBondContact OD1-CB 3.16Å; D132-S134 PolarHBondContact OD1-N 3.44Å; D132-S134 PolarHBondContact OD1-OG 2.56Å; D132-E135 PolarHBondContact N-OE2 3.06Å; D132-E135 PolarHBondContact O-N 3.27Å; D132-E135 WeakPolarHBondContact OD1-CG 3.21Å; D132-E135 PolarHBondContact OD1-N 3.44Å; D132-V136 WeakPolarHBondContact O-CB 3.47Å; D132-V136 WeakPolarHBondContact O-CG2 3.21Å; D132-V136 PolarHBondContact O-N 3.23Å
133	Q	81.3	Confident	77.8	Confident	181 Å²	181	59 Å²	59	85%	0.846	34%	0.336	S	S	*	.	H	α-helix	trans	-63.1	-31.1	-177.3	-68.8	-177.9	0.1	0	0	113.1	A137	Q133-A137 PolarHBondContact O-N 3.4Å
134	S	78.1	Confident	78.6	Confident	34 Å²	34	63.6 Å²	63.6	24%	0.238	36%	0.355	C	S	.	.	H	α-helix	trans	-74.1	-43.8	177.7	71	0	0	0	0	111.7	D132 V136 A137 L138	D132-S134 PolarHBondContact O-N 2.81Å; D132-S134 VanDerWaalsContact OD1-CA 3.32Å; D132-S134 WeakPolarHBondContact OD1-CA 3.49Å; D132-S134 WeakPolarHBondContact OD1-CB 3.16Å; D132-S134 PolarHBondContact OD1-N 3.44Å; D132-S134 PolarHBondContact OD1-OG 2.56Å; S134-V136 VanDerWaalsContact C-N 3.31Å; S134-V136 PolarHBondContact O-N 2.83Å; S134-A137 WeakPolarHBondContact O-CB 3.23Å; S134-A137 PolarHBondContact O-N 3.35Å; S134-A137 VanDerWaalsContact O-N 3.14Å; S134-L138 WeakPolarHBondContact O-CG 3.38Å; S134-L138 PolarHBondContact O-N 3.15Å
135	E	76.3	Confident	79.5	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.019	35%	0.346	C	S	.	.	H	α-helix	trans	-60.6	-42	173.1	-62.2	-177.6	86.4	0	0	110.6	R16 K131 D132 A137 L138 I139 Y238	R16-E135 IonicContact NH1-OE2 2.99Å; K131-E135 WeakPolarHBondContact CA-OE2 3.46Å; K131-E135 HydrophobicContact CB-CB 3.99Å; K131-E135 HydrophobicContact CD-CB 4.05Å; K131-E135 HydrophobicContact CD-CG 4.48Å; K131-E135 VanDerWaalsContact CD-OE1 3.22Å; K131-E135 WeakPolarHBondContact CD-OE1 3.39Å; K131-E135 HydrophobicContact CG-CB 4.48Å; K131-E135 IonicContact NZ-OE1 3.57Å; K131-E135 PolarHBondContact NZ-OE1 3.44Å; D132-E135 PolarHBondContact N-OE2 3.06Å; D132-E135 PolarHBondContact O-N 3.27Å; D132-E135 WeakPolarHBondContact OD1-CG 3.21Å; D132-E135 PolarHBondContact OD1-N 3.44Å; E135-A137 VanDerWaalsContact C-N 3.32Å; E135-A137 PolarHBondContact O-N 3.36Å; E135-L138 PolarHBondContact O-N 3.42Å; E135-I139 VanDerWaalsContact O-CG1 3.32Å; E135-I139 WeakPolarHBondContact O-CG1 3.49Å; E135-I139 PolarHBondContact O-N 3.43Å; E135-Y238 HydrophobicContact CB-CE1 3.91Å; E135-Y238 HydrophobicContact CG-CE1 4.15Å; E135-Y238 VanDerWaalsContact CG-OH 3.28Å; E135-Y238 WeakPolarHBondContact CG-OH 3.24Å; E135-Y238 PolarHBondContact OE1-OH 3.06Å
136	V	80.9	Confident	80.3	Confident	60 Å²	60	59.4 Å²	59.4	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-62.5	-38.8	175.2	170.6	0	0	0	0	111.4	K131 D132 S134 I139 K140	K131-V136 HydrophobicContact CB-CG2 3.72Å; D132-V136 WeakPolarHBondContact O-CB 3.47Å; D132-V136 WeakPolarHBondContact O-CG2 3.21Å; D132-V136 PolarHBondContact O-N 3.23Å; S134-V136 VanDerWaalsContact C-N 3.31Å; S134-V136 PolarHBondContact O-N 2.83Å; V136-I139 PolarHBondContact O-N 2.98Å; V136-K140 HydrophobicContact CG1-CD 4.48Å; V136-K140 WeakPolarHBondContact O-CG 3.31Å; V136-K140 PolarHBondContact O-N 2.89Å
137	A	84.6	Confident	81.3	Confident	49 Å²	49	56 Å²	56	41%	0.405	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-43.1	175.5	0	0	0	0	0	111.7	Q133 S134 E135 I139 K140 T141	Q133-A137 PolarHBondContact O-N 3.4Å; S134-A137 WeakPolarHBondContact O-CB 3.23Å; S134-A137 PolarHBondContact O-N 3.35Å; S134-A137 VanDerWaalsContact O-N 3.14Å; E135-A137 VanDerWaalsContact C-N 3.32Å; E135-A137 PolarHBondContact O-N 3.36Å; A137-I139 PolarHBondContact O-N 3.28Å; A137-K140 WeakPolarHBondContact O-CB 3.48Å; A137-K140 PolarHBondContact O-N 2.84Å; A137-T141 PolarHBondContact O-N 3.09Å; A137-T141 PolarHBondContact O-OG1 2.9Å
138	L	84.8	Confident	82.3	Confident	44 Å²	44	56.4 Å²	56.4	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-42.3	175.7	-65.2	174.1	0	0	0	112.3	S134 E135 K140 T141 A142 Y235 M236 Y238	S134-L138 WeakPolarHBondContact O-CG 3.38Å; S134-L138 PolarHBondContact O-N 3.15Å; E135-L138 PolarHBondContact O-N 3.42Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.02Å; L138-T141 PolarHBondContact O-N 3.09Å; L138-A142 PolarHBondContact O-N 2.95Å; L138-Y235 HydrophobicContact CD2-CD1 4.06Å; L138-Y235 HydrophobicContact CD2-CE1 3.8Å; L138-M236 HydrophobicContact CD1-CB 4.36Å; L138-M236 HydrophobicContact CD2-CB 4.26Å; L138-M236 HydrophobicContact CD2-CG 4.35Å; L138-Y238 HydrophobicContact CB-CD2 3.71Å; L138-Y238 HydrophobicContact CB-CE2 4.28Å; L138-Y238 HydrophobicContact CB-CG 4.16Å; L138-Y238 HydrophobicContact CD1-CD2 3.72Å; L138-Y238 HydrophobicContact CD1-CE2 3.54Å; L138-Y238 HydrophobicContact CG-CD2 4.37Å
139	I	83	Confident	83.4	Confident	50 Å²	50	52.6 Å²	52.6	26%	0.256	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-42.1	174.4	-66.8	164.7	0	0	0	110.7	K131 E135 V136 A137 T141 A142 C143 Y238	K131-I139 HydrophobicContact CD-CD1 4.35Å; K131-I139 HydrophobicContact CG-CD1 3.83Å; E135-I139 VanDerWaalsContact O-CG1 3.32Å; E135-I139 WeakPolarHBondContact O-CG1 3.49Å; E135-I139 PolarHBondContact O-N 3.43Å; V136-I139 PolarHBondContact O-N 2.98Å; A137-I139 PolarHBondContact O-N 3.28Å; I139-T141 PolarHBondContact O-N 2.9Å; I139-A142 WeakPolarHBondContact O-CB 3.32Å; I139-A142 PolarHBondContact O-N 2.99Å; I139-C143 PolarHBondContact O-N 2.83Å; I139-C143 PolarHBondContact O-SG 2.76Å; I139-Y238 HydrophobicContact CD1-CD1 3.88Å; I139-Y238 HydrophobicContact CD1-CE1 4.47Å; I139-Y238 HydrophobicContact CG1-CD1 3.52Å; I139-Y238 HydrophobicContact CG1-CE1 4.48Å; I139-Y238 HydrophobicContact CG1-CG 3.93Å
140	K	87.8	Confident	84.3	Confident	126 Å²	126	50 Å²	50	55%	0.548	27%	0.274	S	S	.	.	H	α-helix	trans	-60.3	-44.9	175.8	-76.5	177.9	178.1	-174.6	0	111.5	V136 A137 L138 A142 C143 E144	V136-K140 HydrophobicContact CG1-CD 4.48Å; V136-K140 WeakPolarHBondContact O-CG 3.31Å; V136-K140 PolarHBondContact O-N 2.89Å; A137-K140 WeakPolarHBondContact O-CB 3.48Å; A137-K140 PolarHBondContact O-N 2.84Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.02Å; K140-A142 VanDerWaalsContact C-N 3.35Å; K140-A142 PolarHBondContact O-N 2.81Å; K140-C143 WeakPolarHBondContact O-CB 3.24Å; K140-C143 PolarHBondContact O-N 2.81Å; K140-E144 WeakPolarHBondContact O-CB 3.39Å; K140-E144 WeakPolarHBondContact O-CG 3.49Å; K140-E144 PolarHBondContact O-N 3.03Å
141	T	88.5	Confident	85.1	Confident	39 Å²	39	49.7 Å²	49.7	24%	0.239	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-42.3	174.9	-53.9	0	0	0	0	111.6	A137 L138 I139 C143 E144 S145 V190 Y235	A137-T141 PolarHBondContact O-N 3.09Å; A137-T141 PolarHBondContact O-OG1 2.9Å; L138-T141 PolarHBondContact O-N 3.09Å; I139-T141 PolarHBondContact O-N 2.9Å; T141-C143 VanDerWaalsContact C-N 3.34Å; T141-C143 PolarHBondContact O-N 2.77Å; T141-E144 PolarHBondContact O-N 2.77Å; T141-S145 WeakPolarHBondContact O-CB 3.43Å; T141-S145 PolarHBondContact O-N 2.8Å; T141-S145 PolarHBondContact O-OG 2.9Å; T141-V190 HydrophobicContact CG2-CG1 4.43Å; T141-V190 HydrophobicContact CG2-CG2 4.38Å; T141-Y235 HydrophobicContact CG2-CD1 3.75Å; T141-Y235 HydrophobicContact CG2-CE1 3.74Å; T141-Y235 HydrophobicContact CG2-CG 4.18Å
142	A	85.9	Confident	85.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-41.7	174.1	0	0	0	0	0	112.2	L138 I139 K140 T146 Y238 S240	L138-A142 PolarHBondContact O-N 2.95Å; I139-A142 WeakPolarHBondContact O-CB 3.32Å; I139-A142 PolarHBondContact O-N 2.99Å; K140-A142 VanDerWaalsContact C-N 3.35Å; K140-A142 PolarHBondContact O-N 2.81Å; A142-T146 WeakPolarHBondContact O-CB 3.39Å; A142-T146 PolarHBondContact O-N 2.88Å; A142-T146 PolarHBondContact O-OG1 3.1Å; A142-Y238 VanDerWaalsContact CB-O 3.3Å; A142-Y238 WeakPolarHBondContact CB-O 3.3Å; A142-S240 VanDerWaalsContact C-CB 3.45Å; A142-S240 WeakPolarHBondContact O-CB 3.4Å
143	C	86.8	Confident	86.8	Confident	51 Å²	51	51.2 Å²	51.2	35%	0.345	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-49.4	175.8	-70.9	0	0	0	0	112.5	I139 K140 T141 S145 T146 C147 S240	I139-C143 PolarHBondContact O-N 2.83Å; I139-C143 PolarHBondContact O-SG 2.76Å; K140-C143 WeakPolarHBondContact O-CB 3.24Å; K140-C143 PolarHBondContact O-N 2.81Å; T141-C143 VanDerWaalsContact C-N 3.34Å; T141-C143 PolarHBondContact O-N 2.77Å; C143-S145 VanDerWaalsContact C-N 3.31Å; C143-S145 PolarHBondContact O-N 3.35Å; C143-T146 PolarHBondContact O-N 2.74Å; C143-C147 WeakPolarHBondContact O-CB 3.41Å; C143-C147 PolarHBondContact O-N 2.89Å; C143-C147 PolarHBondContact O-SG 2.96Å; C143-C147 VanDerWaalsContact O-SG 3.41Å; C143-S240 WeakPolarHBondContact CA-OG 3.29Å
144	E	88.8	Confident	87.2	Confident	128 Å²	128	42.6 Å²	42.6	60%	0.598	24%	0.235	S	C	*	.	H	α-helix	trans	-59.8	-43.2	177.1	-73.5	167.2	-175.1	0	0	110.9	K140 T141 C147 A148	K140-E144 WeakPolarHBondContact O-CB 3.39Å; K140-E144 WeakPolarHBondContact O-CG 3.49Å; K140-E144 PolarHBondContact O-N 3.03Å; T141-E144 PolarHBondContact O-N 2.77Å; E144-C147 PolarHBondContact O-N 3.09Å; E144-A148 WeakPolarHBondContact O-CB 3.05Å; E144-A148 PolarHBondContact O-N 2.91Å
145	S	90	Very high	87.8	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-48.4	174.7	-54.1	0	0	0	0	111.6	T141 C143 C147 A148 F149 L187 V190	T141-S145 WeakPolarHBondContact O-CB 3.43Å; T141-S145 PolarHBondContact O-N 2.8Å; T141-S145 PolarHBondContact O-OG 2.9Å; C143-S145 VanDerWaalsContact C-N 3.31Å; C143-S145 PolarHBondContact O-N 3.35Å; S145-C147 PolarHBondContact O-N 3.26Å; S145-A148 PolarHBondContact O-N 2.69Å; S145-F149 WeakPolarHBondContact O-CB 3.4Å; S145-F149 PolarHBondContact O-N 3.1Å; S145-L187 WeakPolarHBondContact O-CD2 3.1Å; S145-V190 WeakPolarHBondContact OG-CG2 3.37Å
146	T	87.9	Confident	88.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-45.6	-179.9	-54.5	0	0	0	0	111	A142 C143 F149 F150 L231 L233 S240 I242	A142-T146 WeakPolarHBondContact O-CB 3.39Å; A142-T146 PolarHBondContact O-N 2.88Å; A142-T146 PolarHBondContact O-OG1 3.1Å; C143-T146 PolarHBondContact O-N 2.74Å; T146-F149 PolarHBondContact O-N 2.79Å; T146-F150 WeakPolarHBondContact O-CB 3.28Å; T146-F150 PolarHBondContact O-N 3.45Å; T146-L231 HydrophobicContact CG2-CD2 4.44Å; T146-L231 HydrophobicContact CG2-CG 4.4Å; T146-L233 PolarHBondContact OG1-N 2.85Å; T146-S240 VanDerWaalsContact CB-OG 3.3Å; T146-S240 WeakPolarHBondContact CB-OG 3.14Å; T146-S240 VanDerWaalsContact OG1-CB 3.28Å; T146-S240 WeakPolarHBondContact OG1-CB 3.36Å; T146-S240 PolarHBondContact OG1-OG 2.61Å; T146-I242 HydrophobicContact CG2-CB 4.04Å; T146-I242 HydrophobicContact CG2-CG2 3.62Å
147	C	89	Confident	89.1	Confident	56 Å²	56	48.4 Å²	48.4	38%	0.378	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-43.1	177.5	-74.6	0	0	0	0	112.4	C143 E144 S145 F150 N151	C143-C147 WeakPolarHBondContact O-CB 3.41Å; C143-C147 PolarHBondContact O-N 2.89Å; C143-C147 PolarHBondContact O-SG 2.96Å; C143-C147 VanDerWaalsContact O-SG 3.41Å; E144-C147 PolarHBondContact O-N 3.09Å; S145-C147 PolarHBondContact O-N 3.26Å; C147-F150 PolarHBondContact O-N 2.91Å; C147-N151 WeakPolarHBondContact O-CB 3.24Å; C147-N151 PolarHBondContact O-N 3.23Å; C147-N151 PolarHBondContact O-ND2 2.77Å; C147-N151 VanDerWaalsContact O-ND2 3.17Å
148	A	90	Very high	89.3	Confident	28 Å²	28	46.1 Å²	46.1	23%	0.231	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-46.5	177.1	0	0	0	0	0	110.9	E144 S145 N151 K152	E144-A148 WeakPolarHBondContact O-CB 3.05Å; E144-A148 PolarHBondContact O-N 2.91Å; S145-A148 PolarHBondContact O-N 2.69Å; A148-N151 PolarHBondContact O-N 2.95Å; A148-K152 VanDerWaalsContact O-CB 3.25Å; A148-K152 WeakPolarHBondContact O-CB 3.39Å; A148-K152 WeakPolarHBondContact O-CG 3.45Å; A148-K152 PolarHBondContact O-N 3.38Å
149	F	92.3	Very high	89.6	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-43	178.5	-169.2	-122.2	0	0	0	111.9	S145 T146 N151 F153 L154 C177 A180 Y186 L187 L231 L233	S145-F149 WeakPolarHBondContact O-CB 3.4Å; S145-F149 PolarHBondContact O-N 3.1Å; T146-F149 PolarHBondContact O-N 2.79Å; F149-N151 PolarHBondContact O-N 3.41Å; F149-F153 HydrophobicContact CD2-CB 4.02Å; F149-F153 HydrophobicContact CE1-CD1 4.39Å; F149-F153 HydrophobicContact CE2-CB 3.78Å; F149-F153 AromaticContact CE2-CD1 3.95Å; F149-F153 HydrophobicContact CE2-CD1 3.95Å; F149-F153 AromaticContact CE2-CG 3.92Å; F149-F153 HydrophobicContact CE2-CG 3.92Å; F149-F153 HydrophobicContact CZ-CB 4.33Å; F149-F153 AromaticContact CZ-CD1 3.68Å; F149-F153 HydrophobicContact CZ-CD1 3.68Å; F149-F153 HydrophobicContact CZ-CE1 4.36Å; F149-F153 HydrophobicContact CZ-CG 4.15Å; F149-F153 WeakPolarHBondContact O-CB 3.29Å; F149-F153 PolarHBondContact O-N 2.87Å; F149-L154 PolarHBondContact O-N 3.41Å; F149-C177 HydrophobicContact CE1-CB 4.28Å; F149-C177 HydrophobicContact CZ-CB 4.43Å; F149-C177 WeakPolarHBondContact CZ-O 3.3Å; F149-A180 HydrophobicContact CE2-CB 3.84Å; F149-A180 WeakPolarHBondContact CE2-O 3.41Å; F149-A180 HydrophobicContact CZ-CB 3.86Å; F149-Y186 HydrophobicContact CE2-CD2 4.29Å; F149-L187 HydrophobicContact CB-CD2 4.16Å; F149-L187 HydrophobicContact CB-CG 4.49Å; F149-L187 HydrophobicContact CD2-CD1 4.15Å; F149-L187 HydrophobicContact CD2-CG 4.37Å; F149-L231 HydrophobicContact CD1-CD1 3.93Å; F149-L231 HydrophobicContact CD1-CD2 3.6Å; F149-L231 HydrophobicContact CD1-CG 4.35Å; F149-L231 HydrophobicContact CE1-CD1 4.03Å; F149-L231 HydrophobicContact CE1-CD2 4.32Å; F149-L231 HydrophobicContact CG-CD2 4.49Å; F149-L233 HydrophobicContact CB-CD1 3.89Å; F149-L233 HydrophobicContact CD1-CD1 4.32Å; F149-L233 HydrophobicContact CG-CD1 4.29Å
150	F	88.8	Confident	89.9	Confident	10 Å²	10	45.5 Å²	45.5	4%	0.044	24%	0.24	C	C	.	.	I	π-helix	trans	-57.9	-49.8	174.3	-174.8	-91.8	0	0	0	112	T146 C147 L154 K155 C229 L231 I242 R244	T146-F150 WeakPolarHBondContact O-CB 3.28Å; T146-F150 PolarHBondContact O-N 3.45Å; C147-F150 PolarHBondContact O-N 2.91Å; F150-L154 HydrophobicContact CD2-CB 4.48Å; F150-L154 HydrophobicContact CD2-CD2 3.92Å; F150-L154 HydrophobicContact CD2-CG 4.43Å; F150-L154 HydrophobicContact CE2-CD2 4.01Å; F150-L154 HydrophobicContact CE2-CG 4.43Å; F150-L154 PolarHBondContact O-N 3.18Å; F150-K155 HydrophobicContact CD1-CB 4.26Å; F150-K155 HydrophobicContact CE1-CB 3.93Å; F150-K155 HydrophobicContact CE1-CD 4.33Å; F150-K155 HydrophobicContact CZ-CB 4.37Å; F150-K155 VanDerWaalsContact O-CB 3.3Å; F150-K155 WeakPolarHBondContact O-CB 3.47Å; F150-K155 PolarHBondContact O-N 3Å; F150-C229 VanDerWaalsContact CE2-SG 3.54Å; F150-L231 HydrophobicContact CB-CD2 4.14Å; F150-L231 HydrophobicContact CD2-CD2 4.42Å; F150-I242 HydrophobicContact CB-CG2 4.26Å; F150-I242 HydrophobicContact CD1-CD1 4.36Å; F150-I242 HydrophobicContact CD2-CG2 3.93Å; F150-I242 HydrophobicContact CG-CD1 4.25Å; F150-I242 HydrophobicContact CG-CG2 4.24Å; F150-R244 HydrophobicContact CE1-CB 4.47Å; F150-R244 HydrophobicContact CE1-CG 4.09Å; F150-R244 HydrophobicContact CE2-CB 4.19Å; F150-R244 HydrophobicContact CE2-CG 4.26Å; F150-R244 HydrophobicContact CZ-CB 3.69Å; F150-R244 HydrophobicContact CZ-CG 3.73Å
151	N	90.7	Very high	90	Very high	90 Å²	90	40.4 Å²	40.4	48%	0.481	22%	0.219	S	C	.	.	I	π-helix	trans	-76.6	-31.9	-174.8	-74.4	-38.9	0	0	0	114.1	C147 A148 F149 P156	C147-N151 WeakPolarHBondContact O-CB 3.24Å; C147-N151 PolarHBondContact O-N 3.23Å; C147-N151 PolarHBondContact O-ND2 2.77Å; C147-N151 VanDerWaalsContact O-ND2 3.17Å; A148-N151 PolarHBondContact O-N 2.95Å; F149-N151 PolarHBondContact O-N 3.41Å; N151-P156 WeakPolarHBondContact O-CD 3.43Å; N151-P156 WeakPolarHBondContact O-CG 3.18Å
152	K	92.8	Very high	89.9	Confident	108 Å²	108	40.2 Å²	40.2	47%	0.47	22%	0.218	S	C	.	.	I	π-helix	trans	-92.1	-23.3	-176.7	-65.7	178.7	177.1	179.1	0	113.6	A148 Y186	A148-K152 VanDerWaalsContact O-CB 3.25Å; A148-K152 WeakPolarHBondContact O-CB 3.39Å; A148-K152 WeakPolarHBondContact O-CG 3.45Å; A148-K152 PolarHBondContact O-N 3.38Å; K152-Y186 HydrophobicContact CB-CD1 4.05Å; K152-Y186 WeakPolarHBondContact CD-O 3.33Å
153	F	93.5	Very high	89.9	Confident	15 Å²	15	47.5 Å²	47.5	7%	0.066	25%	0.252	C	S	.	.	I	π-helix	trans	-120.1	-70.4	-178.1	-175.6	-101.1	0	0	0	112.6	F149 K155 P156 Q157 A176 C177 A180 Y186	F149-F153 HydrophobicContact CD2-CB 4.02Å; F149-F153 HydrophobicContact CE1-CD1 4.39Å; F149-F153 HydrophobicContact CE2-CB 3.78Å; F149-F153 AromaticContact CE2-CD1 3.95Å; F149-F153 HydrophobicContact CE2-CD1 3.95Å; F149-F153 AromaticContact CE2-CG 3.92Å; F149-F153 HydrophobicContact CE2-CG 3.92Å; F149-F153 HydrophobicContact CZ-CB 4.33Å; F149-F153 AromaticContact CZ-CD1 3.68Å; F149-F153 HydrophobicContact CZ-CD1 3.68Å; F149-F153 HydrophobicContact CZ-CE1 4.36Å; F149-F153 HydrophobicContact CZ-CG 4.15Å; F149-F153 WeakPolarHBondContact O-CB 3.29Å; F149-F153 PolarHBondContact O-N 2.87Å; F153-K155 PolarHBondContact O-N 3.36Å; F153-P156 WeakPolarHBondContact O-CD 3.49Å; F153-Q157 HydrophobicContact CD2-CG 4.17Å; F153-Q157 HydrophobicContact CE1-CG 4.31Å; F153-Q157 HydrophobicContact CE2-CG 3.96Å; F153-Q157 HydrophobicContact CG-CG 4.48Å; F153-Q157 HydrophobicContact CZ-CG 4.03Å; F153-Q157 WeakPolarHBondContact O-CB 3.5Å; F153-Q157 WeakPolarHBondContact O-CG 3.5Å; F153-Q157 PolarHBondContact O-N 2.65Å; F153-A176 HydrophobicContact CZ-CB 4.2Å; F153-A176 WeakPolarHBondContact CZ-O 3.48Å; F153-C177 HydrophobicContact CE1-CB 4.18Å; F153-A180 HydrophobicContact CD1-CB 3.82Å; F153-A180 HydrophobicContact CD2-CB 3.65Å; F153-A180 HydrophobicContact CE1-CB 3.58Å; F153-A180 HydrophobicContact CE2-CB 3.36Å; F153-A180 HydrophobicContact CG-CB 3.85Å; F153-A180 HydrophobicContact CZ-CB 3.32Å; F153-Y186 HydrophobicContact CB-CD1 3.99Å; F153-Y186 HydrophobicContact CB-CD2 4.26Å; F153-Y186 HydrophobicContact CB-CE1 4.26Å; F153-Y186 HydrophobicContact CB-CG 4.01Å; F153-Y186 HydrophobicContact CD2-CD1 4.38Å; F153-Y186 HydrophobicContact CD2-CD2 4.01Å; F153-Y186 AromaticContact CD2-CE1 3.9Å; F153-Y186 HydrophobicContact CD2-CE1 3.9Å; F153-Y186 AromaticContact CD2-CE2 3.48Å; F153-Y186 HydrophobicContact CD2-CE2 3.48Å; F153-Y186 VanDerWaalsContact CD2-CE2 3.48Å; F153-Y186 HydrophobicContact CD2-CG 4.44Å; F153-Y186 AromaticContact CD2-CZ 3.43Å; F153-Y186 VanDerWaalsContact CD2-CZ 3.43Å; F153-Y186 HydrophobicContact CE2-CE2 4.03Å; F153-Y186 HydrophobicContact CG-CD2 4.36Å; F153-Y186 HydrophobicContact CG-CE2 4.27Å
154	L	91.1	Very high	90	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-64.1	-47.1	-167.7	176.6	56.5	0	0	0	113	F149 F150 Q157 L158 I173 I203 C229 L231	F149-L154 PolarHBondContact O-N 3.41Å; F150-L154 HydrophobicContact CD2-CB 4.48Å; F150-L154 HydrophobicContact CD2-CD2 3.92Å; F150-L154 HydrophobicContact CD2-CG 4.43Å; F150-L154 HydrophobicContact CE2-CD2 4.01Å; F150-L154 HydrophobicContact CE2-CG 4.43Å; F150-L154 PolarHBondContact O-N 3.18Å; L154-Q157 PolarHBondContact O-N 3.34Å; L154-L158 HydrophobicContact CD1-CD1 3.76Å; L154-L158 HydrophobicContact CD1-CG 3.96Å; L154-L158 HydrophobicContact CG-CD1 4.08Å; L154-L158 WeakPolarHBondContact O-CG 3.31Å; L154-L158 PolarHBondContact O-N 3.13Å; L154-I173 HydrophobicContact CD1-CG2 3.96Å; L154-I203 HydrophobicContact CD1-CD1 3.92Å; L154-I203 HydrophobicContact CD2-CD1 4.26Å; L154-C229 HydrophobicContact CD2-CB 4.24Å; L154-L231 HydrophobicContact CD2-CB 4.38Å; L154-L231 HydrophobicContact CD2-CD2 4.46Å
155	K	90.5	Very high	89.8	Confident	70 Å²	70	51.8 Å²	51.8	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-63.1	-51.1	179.5	174.4	-176.9	179.2	-175.3	0	111.9	F150 F153 Q157 L158 I159	F150-K155 HydrophobicContact CD1-CB 4.26Å; F150-K155 HydrophobicContact CE1-CB 3.93Å; F150-K155 HydrophobicContact CE1-CD 4.33Å; F150-K155 HydrophobicContact CZ-CB 4.37Å; F150-K155 VanDerWaalsContact O-CB 3.3Å; F150-K155 WeakPolarHBondContact O-CB 3.47Å; F150-K155 PolarHBondContact O-N 3Å; F153-K155 PolarHBondContact O-N 3.36Å; K155-Q157 VanDerWaalsContact C-N 3.32Å; K155-Q157 PolarHBondContact O-N 3.04Å; K155-L158 PolarHBondContact O-N 3.48Å; K155-I159 HydrophobicContact CD-CD1 4.4Å; K155-I159 HydrophobicContact CG-CD1 3.74Å; K155-I159 HydrophobicContact CG-CG1 4.44Å; K155-I159 WeakPolarHBondContact O-CG1 3.46Å; K155-I159 PolarHBondContact O-N 3.31Å
156	P	93	Very high	89.7	Confident	63 Å²	63	58.7 Å²	58.7	41%	0.409	29%	0.293	S	S	.	.	H	α-helix	trans	-59.3	-38.5	175	-27.3	34.9	0	0	0	113.9	N151 F153 I159 G160	N151-P156 WeakPolarHBondContact O-CD 3.43Å; N151-P156 WeakPolarHBondContact O-CG 3.18Å; F153-P156 WeakPolarHBondContact O-CD 3.49Å; P156-I159 PolarHBondContact O-N 3.43Å; P156-G160 PolarHBondContact O-N 3.43Å
157	Q	91.9	Very high	89.6	Confident	87 Å²	87	63.9 Å²	63.9	41%	0.407	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-48	175.9	-73.9	-73.4	-32.8	0	0	111.4	F153 L154 K155 G160 L161	F153-Q157 HydrophobicContact CD2-CG 4.17Å; F153-Q157 HydrophobicContact CE1-CG 4.31Å; F153-Q157 HydrophobicContact CE2-CG 3.96Å; F153-Q157 HydrophobicContact CG-CG 4.48Å; F153-Q157 HydrophobicContact CZ-CG 4.03Å; F153-Q157 WeakPolarHBondContact O-CB 3.5Å; F153-Q157 WeakPolarHBondContact O-CG 3.5Å; F153-Q157 PolarHBondContact O-N 2.65Å; L154-Q157 PolarHBondContact O-N 3.34Å; K155-Q157 VanDerWaalsContact C-N 3.32Å; K155-Q157 PolarHBondContact O-N 3.04Å; Q157-G160 PolarHBondContact O-N 3.02Å; Q157-L161 VanDerWaalsContact O-CG 3.27Å; Q157-L161 WeakPolarHBondContact O-CG 3.42Å; Q157-L161 PolarHBondContact O-N 2.64Å
158	L	89.4	Confident	89.7	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-41.6	177.5	-72.8	172.7	0	0	0	112.3	L154 K155 L161 V162 I173 L222 I227 C229 L246	L154-L158 HydrophobicContact CD1-CD1 3.76Å; L154-L158 HydrophobicContact CD1-CG 3.96Å; L154-L158 HydrophobicContact CG-CD1 4.08Å; L154-L158 WeakPolarHBondContact O-CG 3.31Å; L154-L158 PolarHBondContact O-N 3.13Å; K155-L158 PolarHBondContact O-N 3.48Å; L158-L161 PolarHBondContact O-N 2.94Å; L158-V162 VanDerWaalsContact O-CG2 3.3Å; L158-V162 WeakPolarHBondContact O-CG2 3.31Å; L158-V162 PolarHBondContact O-N 3.25Å; L158-V162 VanDerWaalsContact O-N 3.17Å; L158-I173 HydrophobicContact CD2-CD1 3.87Å; L158-I173 HydrophobicContact CD2-CG2 4.26Å; L158-L222 HydrophobicContact CD2-CD1 4.49Å; L158-L222 HydrophobicContact CD2-CD2 4.18Å; L158-I227 HydrophobicContact CD1-CG2 4.47Å; L158-I227 HydrophobicContact CD2-CG2 4.45Å; L158-C229 HydrophobicContact CD1-CB 4.31Å; L158-L246 HydrophobicContact CB-CD1 3.8Å; L158-L246 HydrophobicContact CD1-CD1 3.68Å; L158-L246 HydrophobicContact CG-CD1 4.39Å
159	I	89.7	Confident	90	Very high	63 Å²	63	62.1 Å²	62.1	32%	0.323	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-47.3	176.9	-68.1	170.1	0	0	0	110.5	K155 P156 L161 V162 E163	K155-I159 HydrophobicContact CD-CD1 4.4Å; K155-I159 HydrophobicContact CG-CD1 3.74Å; K155-I159 HydrophobicContact CG-CG1 4.44Å; K155-I159 WeakPolarHBondContact O-CG1 3.46Å; K155-I159 PolarHBondContact O-N 3.31Å; P156-I159 PolarHBondContact O-N 3.43Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 3.47Å; I159-V162 WeakPolarHBondContact O-CB 3.48Å; I159-V162 PolarHBondContact O-N 3.38Å; I159-V162 VanDerWaalsContact O-N 3.09Å; I159-E163 HydrophobicContact CG2-CG 4.16Å; I159-E163 WeakPolarHBondContact CG2-OE1 3.39Å; I159-E163 WeakPolarHBondContact O-CG 3.09Å; I159-E163 PolarHBondContact O-N 3.19Å
160	G	90.3	Very high	90	Very high	18 Å²	18	62.2 Å²	62.2	19%	0.186	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-36.2	178.2	0	0	0	0	0	113.3	P156 Q157 V162 E163 E164	P156-G160 PolarHBondContact O-N 3.43Å; Q157-G160 PolarHBondContact O-N 3.02Å; G160-V162 VanDerWaalsContact C-N 3.3Å; G160-V162 PolarHBondContact O-N 3.28Å; G160-E163 PolarHBondContact O-N 3.03Å; G160-E164 VanDerWaalsContact O-CB 3.29Å; G160-E164 WeakPolarHBondContact O-CB 3.48Å; G160-E164 WeakPolarHBondContact O-CG 3.19Å; G160-E164 PolarHBondContact O-N 2.98Å
161	L	89.7	Confident	90.3	Very high	19 Å²	19	62.6 Å²	62.6	10%	0.099	32%	0.315	C	S	.	.	H	α-helix	trans	-65.7	-32.4	174	-71.9	175.6	0	0	0	113	Q157 L158 I159 E165 R166 V168 I173 Y224	Q157-L161 VanDerWaalsContact O-CG 3.27Å; Q157-L161 WeakPolarHBondContact O-CG 3.42Å; Q157-L161 PolarHBondContact O-N 2.64Å; L158-L161 PolarHBondContact O-N 2.94Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 3.47Å; L161-E165 PolarHBondContact O-N 3.01Å; L161-R166 HydrophobicContact CD2-CB 3.8Å; L161-R166 PolarHBondContact O-N 2.88Å; L161-R166 VanDerWaalsContact O-N 3.08Å; L161-V168 HydrophobicContact CD1-CB 4.32Å; L161-V168 HydrophobicContact CD1-CG2 4.4Å; L161-V168 HydrophobicContact CD2-CB 4.34Å; L161-V168 HydrophobicContact CD2-CG2 3.56Å; L161-I173 HydrophobicContact CD1-CD1 3.69Å; L161-I173 HydrophobicContact CD1-CG1 3.91Å; L161-Y224 PolarHBondContact O-OH 2.86Å
162	V	85.4	Confident	90.4	Very high	36 Å²	36	64.6 Å²	64.6	22%	0.218	32%	0.32	C	S	.	.	H	α-helix	trans	-75.3	-45.9	174.8	174.9	0	0	0	0	110.4	L158 I159 G160 E164 E165 Y224 I227 V248	L158-V162 VanDerWaalsContact O-CG2 3.3Å; L158-V162 WeakPolarHBondContact O-CG2 3.31Å; L158-V162 PolarHBondContact O-N 3.25Å; L158-V162 VanDerWaalsContact O-N 3.17Å; I159-V162 WeakPolarHBondContact O-CB 3.48Å; I159-V162 PolarHBondContact O-N 3.38Å; I159-V162 VanDerWaalsContact O-N 3.09Å; G160-V162 VanDerWaalsContact C-N 3.3Å; G160-V162 PolarHBondContact O-N 3.28Å; V162-E164 PolarHBondContact O-N 3.21Å; V162-E165 PolarHBondContact O-N 3.43Å; V162-Y224 HydrophobicContact CB-CE1 4.38Å; V162-Y224 HydrophobicContact CG2-CD1 3.86Å; V162-Y224 HydrophobicContact CG2-CE1 3.86Å; V162-I227 HydrophobicContact CG2-CD1 4.3Å; V162-V248 HydrophobicContact CG1-CG1 3.85Å; V162-V248 HydrophobicContact CG1-CG2 4.02Å; V162-V248 HydrophobicContact CG2-CG2 4.02Å
163	E	87.3	Confident	90.5	Very high	152 Å²	152	59.8 Å²	59.8	71%	0.71	30%	0.299	S	S	*	.	H	α-helix	trans	-65	-36.2	-179.9	-72.8	177.4	172.6	0	0	113.1	I159 G160 E165	I159-E163 HydrophobicContact CG2-CG 4.16Å; I159-E163 WeakPolarHBondContact CG2-OE1 3.39Å; I159-E163 WeakPolarHBondContact O-CG 3.09Å; I159-E163 PolarHBondContact O-N 3.19Å; G160-E163 PolarHBondContact O-N 3.03Å; E163-E165 VanDerWaalsContact C-N 3.34Å
164	E	88.8	Confident	90.5	Very high	114 Å²	114	59.4 Å²	59.4	53%	0.533	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	4	179.4	-61.7	-178.8	-159	0	0	113.3	G160 V162 R166	G160-E164 VanDerWaalsContact O-CB 3.29Å; G160-E164 WeakPolarHBondContact O-CB 3.48Å; G160-E164 WeakPolarHBondContact O-CG 3.19Å; G160-E164 PolarHBondContact O-N 2.98Å; V162-E164 PolarHBondContact O-N 3.21Å; E164-R166 HydrophobicContact CB-CG 3.92Å; E164-R166 PolarHBondContact O-N 3.39Å; E164-R166 IonicContact OE2-CZ 2.96Å; E164-R166 IonicContact OE2-NE 3.69Å; E164-R166 PolarHBondContact OE2-NE 3.44Å; E164-R166 IonicContact OE2-NH2 3.9Å; E164-R166 PolarHBondContact OE2-NH2 3.31Å
165	E	84.8	Confident	90.6	Very high	156 Å²	156	63.9 Å²	63.9	73%	0.729	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	35	-176.1	-63.9	-175.2	171.7	0	0	113.5	L161 V162 E163 Y224	L161-E165 PolarHBondContact O-N 3.01Å; V162-E165 PolarHBondContact O-N 3.43Å; E163-E165 VanDerWaalsContact C-N 3.34Å; E165-Y224 VanDerWaalsContact C-OH 3.3Å; E165-Y224 WeakPolarHBondContact CA-OH 3.39Å
166	R	86.4	Confident	90.8	Very high	147 Å²	147	61.9 Å²	61.9	56%	0.555	32%	0.319	S	S	*	.			trans	-79.9	129.3	-177.5	-72.7	-166.9	-169.1	-164.8	10.1	111	L161 E164 V168 Y224	L161-R166 HydrophobicContact CD2-CB 3.8Å; L161-R166 PolarHBondContact O-N 2.88Å; L161-R166 VanDerWaalsContact O-N 3.08Å; E164-R166 HydrophobicContact CB-CG 3.92Å; E164-R166 PolarHBondContact O-N 3.39Å; E164-R166 IonicContact OE2-CZ 2.96Å; E164-R166 IonicContact OE2-NE 3.69Å; E164-R166 PolarHBondContact OE2-NE 3.44Å; E164-R166 IonicContact OE2-NH2 3.9Å; E164-R166 PolarHBondContact OE2-NH2 3.31Å; R166-V168 HydrophobicContact CB-CG2 4.36Å; R166-V168 PolarHBondContact O-N 3.1Å; R166-Y224 PolarHBondContact O-OH 3.34Å
167	V	86.8	Confident	90.8	Very high	108 Å²	108	58.9 Å²	58.9	66%	0.655	30%	0.299	S	S	*	.			trans	-83.2	111	175.7	-174.5	0	0	0	0	109.7	N221	V167-N221 HydrophobicContact CG1-CB 3.82Å; V167-N221 WeakPolarHBondContact CG1-ND2 3.27Å
168	V	91.6	Very high	90.7	Very high	22 Å²	22	56.6 Å²	56.6	13%	0.133	29%	0.293	C	S	.	.			trans	-137.5	141.9	-179	-178.9	0	0	0	0	109.4	L161 R166 F172 I173 L222	L161-V168 HydrophobicContact CD1-CB 4.32Å; L161-V168 HydrophobicContact CD1-CG2 4.4Å; L161-V168 HydrophobicContact CD2-CB 4.34Å; L161-V168 HydrophobicContact CD2-CG2 3.56Å; R166-V168 HydrophobicContact CB-CG2 4.36Å; R166-V168 PolarHBondContact O-N 3.1Å; V168-F172 HydrophobicContact CG1-CB 3.72Å; V168-F172 HydrophobicContact CG1-CD1 3.23Å; V168-F172 HydrophobicContact CG1-CE1 4.04Å; V168-F172 HydrophobicContact CG1-CG 3.72Å; V168-I173 HydrophobicContact CG1-CD1 4.43Å; V168-I173 HydrophobicContact CG1-CG1 3.91Å; V168-L222 WeakPolarHBondContact O-CB 3.36Å; V168-L222 PolarHBondContact O-N 3.41Å
169	S	94.6	Very high	90.8	Very high	25 Å²	25	64.4 Å²	64.4	18%	0.175	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-75.1	155.1	177.5	68.7	0	0	0	0	112.8	A171 F172 I173 D219 H220	S169-A171 VanDerWaalsContact C-N 3.3Å; S169-A171 PolarHBondContact O-N 3.42Å; S169-F172 PolarHBondContact O-N 3.2Å; S169-F172 WeakPolarHBondContact OG-CB 3.43Å; S169-F172 PolarHBondContact OG-N 2.95Å; S169-I173 PolarHBondContact O-N 3.13Å; S169-D219 WeakPolarHBondContact CB-O 3.49Å; S169-H220 VanDerWaalsContact CA-O 3.32Å; S169-H220 WeakPolarHBondContact CA-O 3.35Å
170	H	92.7	Very high	90.9	Very high	3 Å²	3	61.8 Å²	61.8	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-59.7	-41.3	175.1	-54.6	131	0	0	0	112.1	F172 I173 S174 I203 S205 D218 H220	H170-F172 VanDerWaalsContact C-N 3.34Å; H170-F172 PolarHBondContact O-N 3.18Å; H170-I173 PolarHBondContact O-N 2.85Å; H170-S174 PolarHBondContact O-N 3.33Å; H170-I203 HydrophobicContact CB-CB 4.15Å; H170-I203 HydrophobicContact CB-CG2 4.45Å; H170-I203 WeakPolarHBondContact CB-O 3.43Å; H170-S205 PolarHBondContact CE1-OG 2.95Å; H170-S205 WeakPolarHBondContact NE2-CB 3.1Å; H170-S205 PolarHBondContact NE2-N 2.81Å; H170-S205 PolarHBondContact NE2-OG 3.41Å; H170-D218 WeakPolarHBondContact CB-O 3.36Å; H170-D218 IonicContact CE1-OD1 3.01Å; H170-D218 IonicContact CG-OD1 3.47Å; H170-D218 PolarHBondContact N-O 3.45Å; H170-D218 IonicContact ND1-OD1 2.75Å; H170-D218 PolarHBondContact ND1-OD1 3.27Å; H170-H220 PolarHBondContact N-O 2.93Å; H170-H220 PolarHBondContact ND1-O 3.47Å
171	A	94.5	Very high	90.7	Very high	18 Å²	18	61.6 Å²	61.6	15%	0.149	31%	0.311	C	S	.	.	H	α-helix	trans	-58.1	-42.1	176.5	0	0	0	0	0	112.6	S169 I173 S174 D175 D218 D219	S169-A171 VanDerWaalsContact C-N 3.3Å; S169-A171 PolarHBondContact O-N 3.42Å; A171-I173 VanDerWaalsContact C-N 3.33Å; A171-I173 PolarHBondContact O-N 3.11Å; A171-S174 WeakPolarHBondContact O-CB 3.26Å; A171-S174 PolarHBondContact O-N 2.81Å; A171-D175 PolarHBondContact O-N 2.82Å; A171-D218 WeakPolarHBondContact CB-O 3.3Å; A171-D218 PolarHBondContact N-O 2.93Å; A171-D219 VanDerWaalsContact CB-OD1 3.31Å; A171-D219 WeakPolarHBondContact CB-OD1 3.5Å
172	F	94.3	Very high	90.5	Very high	132 Å²	132	70.5 Å²	70.5	58%	0.579	34%	0.343	S	S	*	.	H	α-helix	trans	-61.9	-40.3	178.2	-177.5	-85	0	0	0	112.3	V168 S169 H170 D175 A176	V168-F172 HydrophobicContact CG1-CB 3.72Å; V168-F172 HydrophobicContact CG1-CD1 3.23Å; V168-F172 HydrophobicContact CG1-CE1 4.04Å; V168-F172 HydrophobicContact CG1-CG 3.72Å; S169-F172 PolarHBondContact O-N 3.2Å; S169-F172 WeakPolarHBondContact OG-CB 3.43Å; S169-F172 PolarHBondContact OG-N 2.95Å; H170-F172 VanDerWaalsContact C-N 3.34Å; H170-F172 PolarHBondContact O-N 3.18Å; F172-D175 PolarHBondContact O-N 3.44Å; F172-A176 WeakPolarHBondContact O-CB 3.2Å; F172-A176 PolarHBondContact O-N 2.81Å
173	I	93.6	Very high	90.5	Very high	7 Å²	7	70.7 Å²	70.7	4%	0.036	35%	0.346	C	S	.	.	H	α-helix	trans	-67.8	-40.7	177.4	-58.5	167.6	0	0	0	110.6	L154 L158 L161 V168 S169 H170 A171 A176 C177 I203 L222	L154-I173 HydrophobicContact CD1-CG2 3.96Å; L158-I173 HydrophobicContact CD2-CD1 3.87Å; L158-I173 HydrophobicContact CD2-CG2 4.26Å; L161-I173 HydrophobicContact CD1-CD1 3.69Å; L161-I173 HydrophobicContact CD1-CG1 3.91Å; V168-I173 HydrophobicContact CG1-CD1 4.43Å; V168-I173 HydrophobicContact CG1-CG1 3.91Å; S169-I173 PolarHBondContact O-N 3.13Å; H170-I173 PolarHBondContact O-N 2.85Å; A171-I173 VanDerWaalsContact C-N 3.33Å; A171-I173 PolarHBondContact O-N 3.11Å; I173-A176 PolarHBondContact O-N 2.9Å; I173-C177 PolarHBondContact O-N 2.91Å; I173-C177 PolarHBondContact O-SG 2.85Å; I173-I203 HydrophobicContact CB-CG1 4.31Å; I173-I203 HydrophobicContact CG2-CD1 4.39Å; I173-I203 HydrophobicContact CG2-CG1 4.01Å; I173-L222 HydrophobicContact CD1-CD1 4.3Å; I173-L222 HydrophobicContact CD1-CD2 4.19Å
174	S	94.2	Very high	90.4	Very high	7 Å²	7	67.2 Å²	67.2	5%	0.049	34%	0.339	C	S	.	.	H	α-helix	trans	-58.5	-46.3	173.7	173	0	0	0	0	112	H170 A171 C177 S178 P201	H170-S174 PolarHBondContact O-N 3.33Å; A171-S174 WeakPolarHBondContact O-CB 3.26Å; A171-S174 PolarHBondContact O-N 2.81Å; S174-C177 WeakPolarHBondContact O-CB 3.24Å; S174-C177 PolarHBondContact O-N 2.93Å; S174-S178 PolarHBondContact O-N 3.41Å; S174-S178 PolarHBondContact O-OG 2.85Å; S174-P201 VanDerWaalsContact CB-O 3.25Å; S174-P201 WeakPolarHBondContact CB-O 3.24Å; S174-P201 PolarHBondContact OG-O 3.45Å; S174-P201 VanDerWaalsContact OG-O 3.05Å
175	D	93.8	Very high	90.3	Very high	94 Å²	94	69 Å²	69	50%	0.503	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-39.4	178	-83	0.1	0	0	0	112.5	A171 F172 C177 S178 K179	A171-D175 PolarHBondContact O-N 2.82Å; F172-D175 PolarHBondContact O-N 3.44Å; D175-C177 VanDerWaalsContact C-N 3.28Å; D175-C177 PolarHBondContact O-N 2.94Å; D175-S178 PolarHBondContact O-N 2.83Å; D175-K179 WeakPolarHBondContact O-CG 2.91Å; D175-K179 PolarHBondContact O-N 2.94Å
176	A	93.6	Very high	90.3	Very high	28 Å²	28	63.4 Å²	63.4	23%	0.231	32%	0.317	C	S	.	.	H	α-helix	trans	-60	-39.8	173.7	0	0	0	0	0	111.4	F153 F172 I173 K179 A180	F153-A176 HydrophobicContact CZ-CB 4.2Å; F153-A176 WeakPolarHBondContact CZ-O 3.48Å; F172-A176 WeakPolarHBondContact O-CB 3.2Å; F172-A176 PolarHBondContact O-N 2.81Å; I173-A176 PolarHBondContact O-N 2.9Å; A176-K179 PolarHBondContact O-N 3.18Å; A176-A180 VanDerWaalsContact O-CB 3.29Å; A176-A180 WeakPolarHBondContact O-CB 3.33Å; A176-A180 PolarHBondContact O-N 3.16Å
177	C	92.5	Very high	90.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-40.9	173.4	-65.4	0	0	0	0	112.5	F149 F153 I173 S174 D175 K179 A180 S181 P201	F149-C177 HydrophobicContact CE1-CB 4.28Å; F149-C177 HydrophobicContact CZ-CB 4.43Å; F149-C177 WeakPolarHBondContact CZ-O 3.3Å; F153-C177 HydrophobicContact CE1-CB 4.18Å; I173-C177 PolarHBondContact O-N 2.91Å; I173-C177 PolarHBondContact O-SG 2.85Å; S174-C177 WeakPolarHBondContact O-CB 3.24Å; S174-C177 PolarHBondContact O-N 2.93Å; D175-C177 VanDerWaalsContact C-N 3.28Å; D175-C177 PolarHBondContact O-N 2.94Å; C177-K179 VanDerWaalsContact C-N 3.28Å; C177-K179 PolarHBondContact O-N 3.28Å; C177-A180 PolarHBondContact O-N 3.17Å; C177-S181 WeakPolarHBondContact O-CB 3.43Å; C177-S181 PolarHBondContact O-N 2.93Å; C177-P201 HydrophobicContact CB-CB 4.06Å; C177-P201 HydrophobicContact CB-CG 3.6Å
178	S	91.1	Very high	89.6	Confident	39 Å²	39	54.8 Å²	54.8	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-62.6	-33.7	176.8	-61.2	0	0	0	0	113	S174 D175 S181	S174-S178 PolarHBondContact O-N 3.41Å; S174-S178 PolarHBondContact O-OG 2.85Å; D175-S178 PolarHBondContact O-N 2.83Å; S178-S181 PolarHBondContact O-OG 3.33Å
179	K	90.9	Very high	88.8	Confident	164 Å²	164	61.3 Å²	61.3	71%	0.713	32%	0.322	S	S	*	.	H	α-helix	trans	-75.5	-42.4	173.2	-68.3	172.6	-176.4	173	0	112	D175 A176 C177 S181	D175-K179 WeakPolarHBondContact O-CG 2.91Å; D175-K179 PolarHBondContact O-N 2.94Å; A176-K179 PolarHBondContact O-N 3.18Å; C177-K179 VanDerWaalsContact C-N 3.28Å; C177-K179 PolarHBondContact O-N 3.28Å; K179-S181 VanDerWaalsContact C-N 3.34Å; K179-S181 PolarHBondContact O-N 3.12Å
180	A	91.4	Very high	88.2	Confident	9 Å²	9	61.3 Å²	61.3	7%	0.074	32%	0.321	C	S	.	.	H	α-helix	trans	-73.6	-22.2	-176.3	0	0	0	0	0	114	F149 F153 A176 C177 R182 S183 Y186	F149-A180 HydrophobicContact CE2-CB 3.84Å; F149-A180 WeakPolarHBondContact CE2-O 3.41Å; F149-A180 HydrophobicContact CZ-CB 3.86Å; F153-A180 HydrophobicContact CD1-CB 3.82Å; F153-A180 HydrophobicContact CD2-CB 3.65Å; F153-A180 HydrophobicContact CE1-CB 3.58Å; F153-A180 HydrophobicContact CE2-CB 3.36Å; F153-A180 HydrophobicContact CG-CB 3.85Å; F153-A180 HydrophobicContact CZ-CB 3.32Å; A176-A180 VanDerWaalsContact O-CB 3.29Å; A176-A180 WeakPolarHBondContact O-CB 3.33Å; A176-A180 PolarHBondContact O-N 3.16Å; C177-A180 PolarHBondContact O-N 3.17Å; A180-R182 PolarHBondContact O-N 2.91Å; A180-R182 VanDerWaalsContact O-N 3.15Å; A180-S183 WeakPolarHBondContact O-CB 3.33Å; A180-S183 PolarHBondContact O-N 3.47Å; A180-Y186 HydrophobicContact CB-CD2 4.12Å; A180-Y186 HydrophobicContact CB-CE2 3.94Å
181	S	87.3	Confident	87.7	Confident	14 Å²	14	64 Å²	64	10%	0.098	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.4	177.8	65.2	0	0	0	0	113.4	C177 S178 K179 L187	C177-S181 WeakPolarHBondContact O-CB 3.43Å; C177-S181 PolarHBondContact O-N 2.93Å; S178-S181 PolarHBondContact O-OG 3.33Å; K179-S181 VanDerWaalsContact C-N 3.34Å; K179-S181 PolarHBondContact O-N 3.12Å; S181-L187 WeakPolarHBondContact O-CD1 3.29Å
182	R	84.9	Confident	87.3	Confident	205 Å²	205	65.7 Å²	65.7	77%	0.774	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	4.9	175.6	-60.6	-175.6	179.5	-169	-1.1	114.1	A180	A180-R182 PolarHBondContact O-N 2.91Å; A180-R182 VanDerWaalsContact O-N 3.15Å
183	S	85.8	Confident	86.8	Confident	41 Å²	41	65.3 Å²	65.3	29%	0.287	35%	0.35	S	S	.	.			trans	-96.3	124	-177.6	-173.9	0	0	0	0	112.2	A180 K185 Y186	A180-S183 WeakPolarHBondContact O-CB 3.33Å; A180-S183 PolarHBondContact O-N 3.47Å; S183-K185 PolarHBondContact O-N 3.31Å; S183-K185 VanDerWaalsContact O-N 3.12Å; S183-K185 WeakPolarHBondContact OG-CB 3.44Å; S183-K185 PolarHBondContact OG-N 3.05Å; S183-Y186 PolarHBondContact O-N 3.31Å
184	S	85.7	Confident	86.4	Confident	79 Å²	79	68.6 Å²	68.6	55%	0.552	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19	173.9	60.2	0	0	0	0	113.3	Y186 L187 A188	S184-Y186 VanDerWaalsContact C-N 3.27Å; S184-Y186 PolarHBondContact O-N 2.92Å; S184-L187 CarbonylContact O-C 3.55Å; S184-L187 PolarHBondContact O-N 3.3Å; S184-A188 WeakPolarHBondContact O-CA 3.37Å; S184-A188 PolarHBondContact O-N 2.86Å
185	K	85.9	Confident	86	Confident	152 Å²	152	69.3 Å²	69.3	66%	0.661	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-39	176.7	-174.8	-179.9	177.1	-173.5	0	112.5	S183	S183-K185 PolarHBondContact O-N 3.31Å; S183-K185 VanDerWaalsContact O-N 3.12Å; S183-K185 WeakPolarHBondContact OG-CB 3.44Å; S183-K185 PolarHBondContact OG-N 3.05Å
186	Y	85.5	Confident	85.8	Confident	38 Å²	38	68.5 Å²	68.5	15%	0.149	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-21.2	-177.4	-51.4	-63.3	0	0	0	112.2	F149 K152 F153 A180 S183 S184	F149-Y186 HydrophobicContact CE2-CD2 4.29Å; K152-Y186 HydrophobicContact CB-CD1 4.05Å; K152-Y186 WeakPolarHBondContact CD-O 3.33Å; F153-Y186 HydrophobicContact CB-CD1 3.99Å; F153-Y186 HydrophobicContact CB-CD2 4.26Å; F153-Y186 HydrophobicContact CB-CE1 4.26Å; F153-Y186 HydrophobicContact CB-CG 4.01Å; F153-Y186 HydrophobicContact CD2-CD1 4.38Å; F153-Y186 HydrophobicContact CD2-CD2 4.01Å; F153-Y186 AromaticContact CD2-CE1 3.9Å; F153-Y186 HydrophobicContact CD2-CE1 3.9Å; F153-Y186 AromaticContact CD2-CE2 3.48Å; F153-Y186 HydrophobicContact CD2-CE2 3.48Å; F153-Y186 VanDerWaalsContact CD2-CE2 3.48Å; F153-Y186 HydrophobicContact CD2-CG 4.44Å; F153-Y186 AromaticContact CD2-CZ 3.43Å; F153-Y186 VanDerWaalsContact CD2-CZ 3.43Å; F153-Y186 HydrophobicContact CE2-CE2 4.03Å; F153-Y186 HydrophobicContact CG-CD2 4.36Å; F153-Y186 HydrophobicContact CG-CE2 4.27Å; A180-Y186 HydrophobicContact CB-CD2 4.12Å; A180-Y186 HydrophobicContact CB-CE2 3.94Å; S183-Y186 PolarHBondContact O-N 3.31Å; S184-Y186 VanDerWaalsContact C-N 3.27Å; S184-Y186 PolarHBondContact O-N 2.92Å
187	L	85.1	Confident	85.6	Confident	6 Å²	6	68.3 Å²	68.3	3%	0.031	36%	0.358	C	S	.	.			trans	-133.7	60.3	-169.4	-69.7	166.1	0	0	0	110.9	S145 F149 S181 S184 D189 L192 L195 L233	S145-L187 WeakPolarHBondContact O-CD2 3.1Å; F149-L187 HydrophobicContact CB-CD2 4.16Å; F149-L187 HydrophobicContact CB-CG 4.49Å; F149-L187 HydrophobicContact CD2-CD1 4.15Å; F149-L187 HydrophobicContact CD2-CG 4.37Å; S181-L187 WeakPolarHBondContact O-CD1 3.29Å; S184-L187 CarbonylContact O-C 3.55Å; S184-L187 PolarHBondContact O-N 3.3Å; L187-D189 PolarHBondContact O-N 3.41Å; L187-L192 HydrophobicContact CB-CD2 3.77Å; L187-L192 HydrophobicContact CD1-CD2 4.14Å; L187-L195 HydrophobicContact CD1-CD2 3.54Å; L187-L195 HydrophobicContact CD2-CD2 4.38Å; L187-L195 HydrophobicContact CG-CD2 4.45Å; L187-L233 HydrophobicContact CD1-CD1 4.43Å; L187-L233 HydrophobicContact CD2-CD1 4.42Å
188	A	73.2	Confident	85.3	Confident	68 Å²	68	70.2 Å²	70.2	56%	0.562	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-29.8	-170.7	0	0	0	0	0	114.8	S184	S184-A188 WeakPolarHBondContact O-CA 3.37Å; S184-A188 PolarHBondContact O-N 2.86Å
189	D	75	Confident	85.2	Confident	158 Å²	158	70 Å²	70	85%	0.845	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	11.3	-169.4	-56.9	-45.8	0	0	0	113.7	L187	L187-D189 PolarHBondContact O-N 3.41Å
190	V	80.3	Confident	85.3	Confident	25 Å²	25	65.6 Å²	65.6	15%	0.152	35%	0.352	C	S	.	.	S	Bend	trans	-127.6	138	-170.9	-173.7	0	0	0	0	109.5	T141 S145 L192 L195 Y235	T141-V190 HydrophobicContact CG2-CG1 4.43Å; T141-V190 HydrophobicContact CG2-CG2 4.38Å; S145-V190 WeakPolarHBondContact OG-CG2 3.37Å; V190-L192 PolarHBondContact O-N 2.94Å; V190-L195 HydrophobicContact CG1-CD1 4.32Å; V190-L195 HydrophobicContact CG1-CD2 4.42Å; V190-Y235 HydrophobicContact CG1-CD2 3.59Å; V190-Y235 HydrophobicContact CG1-CE2 3.43Å; V190-Y235 VanDerWaalsContact CG1-CE2 3.43Å
191	D	83.7	Confident	85.3	Confident	61 Å²	61	65.2 Å²	65.2	33%	0.326	35%	0.349	S	S	.	.			trans	-68	100.3	172.4	-174.4	-7	0	0	0	109.5	T193 K194	D191-T193 VanDerWaalsContact CG-OG1 3.3Å; D191-T193 PolarHBondContact O-N 2.72Å; D191-T193 VanDerWaalsContact O-N 3.15Å; D191-T193 WeakPolarHBondContact OD1-CB 3.39Å; D191-T193 PolarHBondContact OD1-N 3.25Å; D191-T193 PolarHBondContact OD1-OG1 3.44Å; D191-T193 PolarHBondContact OD2-OG1 2.94Å; D191-K194 HydrophobicContact CB-CD 4.16Å; D191-K194 PolarHBondContact O-N 3.3Å; D191-K194 WeakPolarHBondContact OD2-CD 3.02Å; D191-K194 WeakPolarHBondContact OD2-CE 3.13Å; D191-K194 IonicContact OD2-NZ 3.64Å; D191-K194 PolarHBondContact OD2-NZ 3.29Å
192	L	85.8	Confident	85.4	Confident	52 Å²	52	64.8 Å²	64.8	27%	0.272	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-61	-21.9	-176.8	-62.8	173.9	0	0	0	112.8	L187 V190 K194 L195	L187-L192 HydrophobicContact CB-CD2 3.77Å; L187-L192 HydrophobicContact CD1-CD2 4.14Å; V190-L192 PolarHBondContact O-N 2.94Å; L192-K194 PolarHBondContact O-N 3.11Å; L192-L195 HydrophobicContact CD2-CD2 4.32Å; L192-L195 PolarHBondContact O-N 3.18Å
193	T	84.5	Confident	85.8	Confident	124 Å²	124	55 Å²	55	76%	0.761	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-69.7	-18.6	176.6	68.8	0	0	0	0	112.8	D191	D191-T193 VanDerWaalsContact CG-OG1 3.3Å; D191-T193 PolarHBondContact O-N 2.72Å; D191-T193 VanDerWaalsContact O-N 3.15Å; D191-T193 WeakPolarHBondContact OD1-CB 3.39Å; D191-T193 PolarHBondContact OD1-N 3.25Å; D191-T193 PolarHBondContact OD1-OG1 3.44Å; D191-T193 PolarHBondContact OD2-OG1 2.94Å
194	K	84.5	Confident	85.8	Confident	76 Å²	76	53.7 Å²	53.7	33%	0.33	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-106.8	3.5	-178.9	-67.4	170.2	177.2	138.2	0	113.2	D191 L192 Y235 M236	D191-K194 HydrophobicContact CB-CD 4.16Å; D191-K194 PolarHBondContact O-N 3.3Å; D191-K194 WeakPolarHBondContact OD2-CD 3.02Å; D191-K194 WeakPolarHBondContact OD2-CE 3.13Å; D191-K194 IonicContact OD2-NZ 3.64Å; D191-K194 PolarHBondContact OD2-NZ 3.29Å; L192-K194 PolarHBondContact O-N 3.11Å; K194-Y235 HydrophobicContact CB-CD2 4.13Å; K194-Y235 HydrophobicContact CB-CE2 3.72Å; K194-Y235 WeakPolarHBondContact O-CA 3.39Å; K194-M236 HydrophobicContact CB-CG 3.98Å; K194-M236 HydrophobicContact CB-SD 3.83Å; K194-M236 HydrophobicContact CD-CE 4.43Å; K194-M236 HydrophobicContact CD-CG 4Å; K194-M236 HydrophobicContact CD-SD 3.43Å; K194-M236 WeakPolarHBondContact CD-SD 3.31Å; K194-M236 HydrophobicContact CG-CG 4.28Å; K194-M236 HydrophobicContact CG-SD 3.54Å; K194-M236 VanDerWaalsContact CG-SD 3.54Å; K194-M236 PolarHBondContact O-N 2.73Å
195	L	86.2	Confident	85.9	Confident	22 Å²	22	50.1 Å²	50.1	12%	0.115	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.8	-174.4	-168.5	77.4	0	0	0	110.1	L187 V190 L192 L233 R234 Y235	L187-L195 HydrophobicContact CD1-CD2 3.54Å; L187-L195 HydrophobicContact CD2-CD2 4.38Å; L187-L195 HydrophobicContact CG-CD2 4.45Å; V190-L195 HydrophobicContact CG1-CD1 4.32Å; V190-L195 HydrophobicContact CG1-CD2 4.42Å; L192-L195 HydrophobicContact CD2-CD2 4.32Å; L192-L195 PolarHBondContact O-N 3.18Å; L195-L233 HydrophobicContact CD1-CB 4.16Å; L195-L233 HydrophobicContact CD2-CD1 4.25Å; L195-R234 CarbonylContact C-O 3.46Å; L195-R234 WeakPolarHBondContact CA-O 3.17Å; L195-Y235 HydrophobicContact CB-CD2 4.29Å; L195-Y235 HydrophobicContact CD1-CD2 3.93Å; L195-Y235 HydrophobicContact CD1-CG 4.32Å
196	D	88.9	Confident	85.8	Confident	77 Å²	77	44.8 Å²	44.8	41%	0.412	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	165.4	-179.3	-165.5	13.9	0	0	0	111	L233 R234	D196-L233 CarbonylContact O-C 3.56Å; D196-L233 WeakPolarHBondContact O-CA 3.29Å; D196-R234 PolarHBondContact N-O 3.3Å; D196-R234 PolarHBondContact O-N 3.2Å; D196-R234 IonicContact OD2-CZ 3.11Å; D196-R234 IonicContact OD2-NH2 2.94Å; D196-R234 PolarHBondContact OD2-NH2 3Å
197	L	89.9	Confident	85.6	Confident	24 Å²	24	45.9 Å²	45.9	13%	0.126	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	138	172.5	-76.2	161.5	0	0	0	110.2	Y199 P201 L231 L233	L197-Y199 VanDerWaalsContact C-N 3.32Å; L197-P201 HydrophobicContact CD2-CG 4.06Å; L197-L231 HydrophobicContact CD2-CD1 3.78Å; L197-L233 HydrophobicContact CD2-CD2 3.62Å; L197-L233 HydrophobicContact CG-CD2 4.12Å
198	C	87	Confident	85.4	Confident	41 Å²	41	52.6 Å²	52.6	28%	0.277	31%	0.309	S	S	.	.	S	Bend	trans	-68.5	-37	173.6	-64.7	0	0	0	0	111.6	G232 L233 C239	C198-G232 PolarHBondContact N-O 2.9Å; C198-G232 VanDerWaalsContact SG-C 3.53Å; C198-L233 PolarHBondContact SG-O 2.8Å; C198-C239 VanDerWaalsContact SG-CB 3.54Å; C198-C239 VanDerWaalsContact SG-SG 3.65Å
199	Y	89	Confident	85.8	Confident	35 Å²	35	53.9 Å²	53.9	14%	0.137	30%	0.3	C	S	.	.	S	Bend	trans	-162.5	158.7	178.4	54.5	-92	0	0	0	107.7	L197 I202 Y213 S230 N241	L197-Y199 VanDerWaalsContact C-N 3.32Å; Y199-I202 HydrophobicContact CD2-CD1 3.83Å; Y199-I202 HydrophobicContact CD2-CG1 3.91Å; Y199-I202 HydrophobicContact CE2-CD1 3.62Å; Y199-I202 HydrophobicContact CE2-CG1 3.75Å; Y199-Y213 HydrophobicContact CE1-CD1 4.04Å; Y199-Y213 HydrophobicContact CE1-CG 4.25Å; Y199-Y213 HydrophobicContact CE2-CD1 4.38Å; Y199-Y213 AromaticContact CZ-CD1 3.7Å; Y199-Y213 WeakPolarHBondContact OH-CD1 3.39Å; Y199-S230 WeakPolarHBondContact OH-CB 3.32Å; Y199-N241 PolarHBondContact OH-OD1 2.75Å
200	P	91.6	Very high	86.2	Confident	71 Å²	71	48.4 Å²	48.4	46%	0.461	28%	0.277	S	S	.	.			trans	-56.2	131.4	176.1	-25.2	34.9	0	0	0	111.2	I202	P200-I202 WeakPolarHBondContact O-CG1 3.4Å; P200-I202 PolarHBondContact O-N 2.97Å
201	P	91.6	Very high	86.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.307	C	S	.	.			trans	-55.5	128.3	-176.1	-30.3	40.2	0	0	0	112.6	S174 C177 L197 S217 S230 L231	S174-P201 VanDerWaalsContact CB-O 3.25Å; S174-P201 WeakPolarHBondContact CB-O 3.24Å; S174-P201 PolarHBondContact OG-O 3.45Å; S174-P201 VanDerWaalsContact OG-O 3.05Å; C177-P201 HydrophobicContact CB-CB 4.06Å; C177-P201 HydrophobicContact CB-CG 3.6Å; L197-P201 HydrophobicContact CD2-CG 4.06Å; P201-S217 PolarHBondContact O-OG 2.94Å; P201-S230 CarbonylContact C-O 3.36Å; P201-S230 WeakPolarHBondContact CA-O 3.47Å; P201-L231 HydrophobicContact CB-CD1 4.26Å; P201-L231 HydrophobicContact CG-CD1 3.73Å
202	I	90.1	Very high	86	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	114.1	-173.2	-53.6	175	0	0	0	108.3	Y199 P200 Q204 V215 S217 C229 S230	Y199-I202 HydrophobicContact CD2-CD1 3.83Å; Y199-I202 HydrophobicContact CD2-CG1 3.91Å; Y199-I202 HydrophobicContact CE2-CD1 3.62Å; Y199-I202 HydrophobicContact CE2-CG1 3.75Å; P200-I202 WeakPolarHBondContact O-CG1 3.4Å; P200-I202 PolarHBondContact O-N 2.97Å; I202-Q204 HydrophobicContact CG2-CG 4.04Å; I202-V215 HydrophobicContact CD1-CB 4.44Å; I202-V215 VanDerWaalsContact CD1-O 3.24Å; I202-V215 WeakPolarHBondContact CD1-O 3.33Å; I202-V215 VanDerWaalsContact CG1-O 3.26Å; I202-V215 WeakPolarHBondContact CG1-O 3.03Å; I202-V215 HydrophobicContact CG2-CB 4.33Å; I202-V215 HydrophobicContact CG2-CG1 4.42Å; I202-S217 WeakPolarHBondContact CA-OG 3.4Å; I202-C229 CarbonylContact O-C 3.55Å; I202-C229 VanDerWaalsContact O-CA 3.26Å; I202-C229 WeakPolarHBondContact O-CA 3.36Å; I202-S230 PolarHBondContact N-O 3.16Å; I202-S230 PolarHBondContact O-N 2.91Å
203	I	92.1	Very high	85.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126	174.8	-48.6	-61	0	0	0	107.4	L154 H170 I173 S217 L222 I227 V228 C229	L154-I203 HydrophobicContact CD1-CD1 3.92Å; L154-I203 HydrophobicContact CD2-CD1 4.26Å; H170-I203 HydrophobicContact CB-CB 4.15Å; H170-I203 HydrophobicContact CB-CG2 4.45Å; H170-I203 WeakPolarHBondContact CB-O 3.43Å; I173-I203 HydrophobicContact CB-CG1 4.31Å; I173-I203 HydrophobicContact CG2-CD1 4.39Å; I173-I203 HydrophobicContact CG2-CG1 4.01Å; I203-S217 PolarHBondContact N-OG 3.22Å; I203-L222 HydrophobicContact CG2-CD1 4.04Å; I203-I227 HydrophobicContact CG2-CG2 4.12Å; I203-V228 WeakPolarHBondContact CA-O 3.4Å; I203-C229 HydrophobicContact CD1-CB 3.54Å
204	Q	86.7	Confident	85.7	Confident	14 Å²	14	61.5 Å²	61.5	7%	0.065	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.3	-179.2	-69.6	174.6	-10.3	0	0	109.8	I202 Y209 A210 I227 V228	I202-Q204 HydrophobicContact CG2-CG 4.04Å; Q204-Y209 HydrophobicContact CB-CD1 3.9Å; Q204-Y209 HydrophobicContact CB-CE1 4.37Å; Q204-A210 PolarHBondContact NE2-O 2.95Å; Q204-A210 PolarHBondContact OE1-O 2.97Å; Q204-I227 WeakPolarHBondContact O-CA 3.29Å; Q204-V228 HydrophobicContact CB-CB 4.49Å; Q204-V228 PolarHBondContact N-O 3.04Å; Q204-V228 PolarHBondContact O-N 2.96Å
205	S	88.4	Confident	85.8	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.021	33%	0.326	C	S	.	.			trans	-152.7	-179.5	173.5	77.9	0	0	0	0	110.8	H170 G207 N223	H170-S205 PolarHBondContact CE1-OG 2.95Å; H170-S205 WeakPolarHBondContact NE2-CB 3.1Å; H170-S205 PolarHBondContact NE2-N 2.81Å; H170-S205 PolarHBondContact NE2-OG 3.41Å; S205-G207 PolarHBondContact O-N 3.46Å; S205-N223 WeakPolarHBondContact CB-O 3.37Å; S205-N223 PolarHBondContact OG-N 2.68Å; S205-N223 PolarHBondContact OG-O 3.41Å
206	G	83.3	Confident	86	Confident	40 Å²	40	64.9 Å²	64.9	41%	0.412	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	29.2	172.5	0	0	0	0	0	115.3	R208	G206-R208 VanDerWaalsContact C-N 3.29Å; G206-R208 PolarHBondContact O-N 3.26Å
207	G	80.7	Confident	86.1	Confident	61 Å²	61	61.6 Å²	61.6	63%	0.629	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-2.1	176.5	0	0	0	0	0	115.2	S205 Y209	S205-G207 PolarHBondContact O-N 3.46Å; G207-Y209 VanDerWaalsContact CA-CE2 3.5Å
208	R	81.2	Confident	86.2	Confident	147 Å²	147	63 Å²	63	56%	0.555	34%	0.344	S	S	*	.			trans	-105	83.4	-179.9	-63	-176.9	-175.3	176	4.6	110.6	G206 H220	G206-R208 VanDerWaalsContact C-N 3.29Å; G206-R208 PolarHBondContact O-N 3.26Å; R208-H220 PolarHBondContact NH1-CD2 3.4Å; R208-H220 VanDerWaalsContact NH1-CD2 3.26Å; R208-H220 PolarHBondContact NH1-CE1 3.08Å; R208-H220 PolarHBondContact NH1-ND1 3.26Å; R208-H220 VanDerWaalsContact NH1-ND1 3.18Å; R208-H220 PolarHBondContact NH1-NE2 3.28Å
209	Y	81.1	Confident	86.5	Confident	95 Å²	95	67.1 Å²	67.1	37%	0.373	36%	0.363	S	S	.	.			trans	-110.3	130.5	-178.2	-52.8	-73.1	0	0	0	111.1	Q204 G207 A226 V228	Q204-Y209 HydrophobicContact CB-CD1 3.9Å; Q204-Y209 HydrophobicContact CB-CE1 4.37Å; G207-Y209 VanDerWaalsContact CA-CE2 3.5Å; Y209-A226 WeakPolarHBondContact CE1-O 3.49Å; Y209-A226 PolarHBondContact OH-O 3.47Å; Y209-V228 HydrophobicContact CD1-CB 4.33Å; Y209-V228 HydrophobicContact CD1-CG2 3.82Å; Y209-V228 HydrophobicContact CE1-CB 4.49Å; Y209-V228 HydrophobicContact CE1-CG2 3.87Å
210	A	83.9	Confident	86.5	Confident	44 Å²	44	70 Å²	70	36%	0.364	38%	0.378	S	S	.	.			trans	-133.1	104	172	0	0	0	0	0	108.3	Q204 K212 V215	Q204-A210 PolarHBondContact NE2-O 2.95Å; Q204-A210 PolarHBondContact OE1-O 2.97Å; A210-K212 PolarHBondContact O-N 3.42Å; A210-V215 HydrophobicContact CB-CG1 4.4Å; A210-V215 HydrophobicContact CB-CG2 3.6Å; A210-V215 WeakPolarHBondContact O-CG2 3.43Å
211	L	79.1	Confident	86.5	Confident	149 Å²	149	71.1 Å²	71.1	78%	0.78	38%	0.38	S	S	*	.			trans	-81.4	59.8	-173.6	-56.2	-179.4	0	0	0	112	V228	L211-V228 HydrophobicContact CD2-CG1 4.47Å
212	K	81.6	Confident	86.2	Confident	148 Å²	148	71.7 Å²	71.7	64%	0.643	38%	0.383	S	S	*	.			trans	-133.2	141	174.6	-61.2	178.1	-178.4	176.8	0	109.2	A210 S214 V215	A210-K212 PolarHBondContact O-N 3.42Å; K212-S214 PolarHBondContact O-N 3.44Å; K212-V215 HydrophobicContact CB-CG2 4.09Å; K212-V215 WeakPolarHBondContact O-CG2 3.28Å; K212-V215 PolarHBondContact O-N 3.41Å
213	Y	77.9	Confident	86	Confident	142 Å²	142	75.9 Å²	75.9	56%	0.557	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-5.1	177.4	-55.8	-53.7	0	0	0	114.1	Y199 V215 N241	Y199-Y213 HydrophobicContact CE1-CD1 4.04Å; Y199-Y213 HydrophobicContact CE1-CG 4.25Å; Y199-Y213 HydrophobicContact CE2-CD1 4.38Å; Y199-Y213 AromaticContact CZ-CD1 3.7Å; Y199-Y213 WeakPolarHBondContact OH-CD1 3.39Å; Y213-V215 VanDerWaalsContact C-N 3.34Å; Y213-N241 WeakPolarHBondContact CE1-ND2 3.12Å; Y213-N241 VanDerWaalsContact CZ-ND2 3.27Å; Y213-N241 PolarHBondContact OH-ND2 3.23Å; Y213-N241 VanDerWaalsContact OH-ND2 3.1Å
214	S	84.7	Confident	85.4	Confident	98 Å²	98	79.6 Å²	79.6	69%	0.685	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.5	174.4	65.9	0	0	0	0	113.3	K212	K212-S214 PolarHBondContact O-N 3.44Å
215	V	86.3	Confident	85	Confident	36 Å²	36	80 Å²	80	22%	0.218	43%	0.429	C	S	.	.			trans	-78.9	143.8	179.9	-178.7	0	0	0	0	109.1	I202 A210 K212 Y213	I202-V215 HydrophobicContact CD1-CB 4.44Å; I202-V215 VanDerWaalsContact CD1-O 3.24Å; I202-V215 WeakPolarHBondContact CD1-O 3.33Å; I202-V215 VanDerWaalsContact CG1-O 3.26Å; I202-V215 WeakPolarHBondContact CG1-O 3.03Å; I202-V215 HydrophobicContact CG2-CB 4.33Å; I202-V215 HydrophobicContact CG2-CG1 4.42Å; A210-V215 HydrophobicContact CB-CG1 4.4Å; A210-V215 HydrophobicContact CB-CG2 3.6Å; A210-V215 WeakPolarHBondContact O-CG2 3.43Å; K212-V215 HydrophobicContact CB-CG2 4.09Å; K212-V215 WeakPolarHBondContact O-CG2 3.28Å; K212-V215 PolarHBondContact O-N 3.41Å; Y213-V215 VanDerWaalsContact C-N 3.34Å
216	I	90.5	Very high	84.6	Confident	132 Å²	132	81 Å²	81	68%	0.677	44%	0.437	S	S	*	.			trans	-106.7	137.8	174.9	-58.3	171.7	0	0	0	107	D218	I216-D218 PolarHBondContact O-N 3.42Å
217	S	91.3	Very high	84.7	Confident	8 Å²	8	79.1 Å²	79.1	6%	0.056	42%	0.417	C	S	.	.			trans	-58.7	126.6	173.8	-61.2	0	0	0	0	109.8	P201 I202 I203	P201-S217 PolarHBondContact O-OG 2.94Å; I202-S217 WeakPolarHBondContact CA-OG 3.4Å; I203-S217 PolarHBondContact N-OG 3.22Å
218	D	91.9	Very high	84.9	Confident	53 Å²	53	77.2 Å²	77.2	28%	0.283	39%	0.393	S	S	.	.			trans	-86.2	174.7	-175.3	68.8	3.8	0	0	0	112.8	H170 A171 I216 H220	H170-D218 WeakPolarHBondContact CB-O 3.36Å; H170-D218 IonicContact CE1-OD1 3.01Å; H170-D218 IonicContact CG-OD1 3.47Å; H170-D218 PolarHBondContact N-O 3.45Å; H170-D218 IonicContact ND1-OD1 2.75Å; H170-D218 PolarHBondContact ND1-OD1 3.27Å; A171-D218 WeakPolarHBondContact CB-O 3.3Å; A171-D218 PolarHBondContact N-O 2.93Å; I216-D218 PolarHBondContact O-N 3.42Å; D218-H220 VanDerWaalsContact CG-ND1 3.27Å; D218-H220 PolarHBondContact O-N 2.94Å; D218-H220 PolarHBondContact OD1-N 3.05Å; D218-H220 IonicContact OD1-ND1 2.77Å; D218-H220 IonicContact OD2-CE1 3.09Å; D218-H220 IonicContact OD2-CG 3.7Å; D218-H220 IonicContact OD2-ND1 3.65Å; D218-H220 PolarHBondContact OD2-ND1 3.07Å
219	D	92.5	Very high	85.2	Confident	129 Å²	129	70.2 Å²	70.2	69%	0.69	37%	0.367	S	S	*	.	S	Bend	trans	-83.4	6.8	-179.8	-66.4	-46.9	0	0	0	113.6	S169 A171	S169-D219 WeakPolarHBondContact CB-O 3.49Å; A171-D219 VanDerWaalsContact CB-OD1 3.31Å; A171-D219 WeakPolarHBondContact CB-OD1 3.5Å
220	H	89.9	Confident	85.5	Confident	94 Å²	94	66.3 Å²	66.3	44%	0.435	35%	0.354	S	S	.	.	S	Bend	trans	-72.5	144.9	176.9	-65.4	84.9	0	0	0	110.5	S169 H170 R208 D218	S169-H220 VanDerWaalsContact CA-O 3.32Å; S169-H220 WeakPolarHBondContact CA-O 3.35Å; H170-H220 PolarHBondContact N-O 2.93Å; H170-H220 PolarHBondContact ND1-O 3.47Å; R208-H220 PolarHBondContact NH1-CD2 3.4Å; R208-H220 VanDerWaalsContact NH1-CD2 3.26Å; R208-H220 PolarHBondContact NH1-CE1 3.08Å; R208-H220 PolarHBondContact NH1-ND1 3.26Å; R208-H220 VanDerWaalsContact NH1-ND1 3.18Å; R208-H220 PolarHBondContact NH1-NE2 3.28Å; D218-H220 VanDerWaalsContact CG-ND1 3.27Å; D218-H220 PolarHBondContact O-N 2.94Å; D218-H220 PolarHBondContact OD1-N 3.05Å; D218-H220 IonicContact OD1-ND1 2.77Å; D218-H220 IonicContact OD2-CE1 3.09Å; D218-H220 IonicContact OD2-CG 3.7Å; D218-H220 IonicContact OD2-ND1 3.65Å; D218-H220 PolarHBondContact OD2-ND1 3.07Å
221	N	90.7	Very high	85.6	Confident	96 Å²	96	64.3 Å²	64.3	51%	0.513	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-64.1	141.5	177.2	-66.2	-22.2	0	0	0	110.7	V167 N223	V167-N221 HydrophobicContact CG1-CB 3.82Å; V167-N221 WeakPolarHBondContact CG1-ND2 3.27Å; N221-N223 PolarHBondContact O-N 2.65Å
222	L	87.2	Confident	86	Confident	12 Å²	12	57.2 Å²	57.2	6%	0.063	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-56.6	120.3	172.8	-170	75.6	0	0	0	109.3	L158 V168 I173 I203 Y224 I227	L158-L222 HydrophobicContact CD2-CD1 4.49Å; L158-L222 HydrophobicContact CD2-CD2 4.18Å; V168-L222 WeakPolarHBondContact O-CB 3.36Å; V168-L222 PolarHBondContact O-N 3.41Å; I173-L222 HydrophobicContact CD1-CD1 4.3Å; I173-L222 HydrophobicContact CD1-CD2 4.19Å; I203-L222 HydrophobicContact CG2-CD1 4.04Å; L222-Y224 HydrophobicContact CD2-CE1 4.4Å; L222-I227 HydrophobicContact CD1-CD1 4Å; L222-I227 HydrophobicContact CD1-CG1 3.99Å; L222-I227 HydrophobicContact CD1-CG2 3.84Å; L222-I227 HydrophobicContact CD2-CD1 4Å; L222-I227 HydrophobicContact CG-CD1 4.06Å; L222-I227 HydrophobicContact CG-CG1 4.43Å
223	N	84	Confident	86.4	Confident	93 Å²	93	50.2 Å²	50.2	50%	0.497	27%	0.269	S	S	.	.			trans	-104.6	127.1	177.8	-171.4	-36.4	0	0	0	109.2	S205 N221	S205-N223 WeakPolarHBondContact CB-O 3.37Å; S205-N223 PolarHBondContact OG-N 2.68Å; S205-N223 PolarHBondContact OG-O 3.41Å; N221-N223 PolarHBondContact O-N 2.65Å
224	Y	80	Confident	86.9	Confident	77 Å²	77	46.8 Å²	46.8	30%	0.302	26%	0.255	S	S	.	.	S	Bend	trans	-71.2	135.5	-179.5	-49.1	-44.1	0	0	0	110.6	L161 V162 E165 R166 L222	L161-Y224 PolarHBondContact O-OH 2.86Å; V162-Y224 HydrophobicContact CB-CE1 4.38Å; V162-Y224 HydrophobicContact CG2-CD1 3.86Å; V162-Y224 HydrophobicContact CG2-CE1 3.86Å; E165-Y224 VanDerWaalsContact C-OH 3.3Å; E165-Y224 WeakPolarHBondContact CA-OH 3.39Å; R166-Y224 PolarHBondContact O-OH 3.34Å; L222-Y224 HydrophobicContact CD2-CE1 4.4Å
225	G	78	Confident	86.9	Confident	24 Å²	24	43.6 Å²	43.6	25%	0.247	23%	0.228	C	C	.	.	S	Bend	trans	148.5	-107.8	-171.1	0	0	0	0	0	108.8	L247 V248	G225-L247 CarbonylContact O-C 3.58Å; G225-L247 VanDerWaalsContact O-CA 3.31Å; G225-L247 WeakPolarHBondContact O-CA 3.28Å; G225-V248 PolarHBondContact O-N 3.3Å
226	A	80.2	Confident	86.9	Confident	23 Å²	23	45.5 Å²	45.5	19%	0.19	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.6	171.1	0	0	0	0	0	111.2	Y209 T245 L247	Y209-A226 WeakPolarHBondContact CE1-O 3.49Å; Y209-A226 PolarHBondContact OH-O 3.47Å; A226-T245 HydrophobicContact CB-CG2 4.15Å; A226-L247 HydrophobicContact CB-CD2 3.82Å
227	I	85.4	Confident	86.4	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.1	175.9	-58.1	164	0	0	0	108	L158 V162 I203 Q204 L222 T245 L246 V248	L158-I227 HydrophobicContact CD1-CG2 4.47Å; L158-I227 HydrophobicContact CD2-CG2 4.45Å; V162-I227 HydrophobicContact CG2-CD1 4.3Å; I203-I227 HydrophobicContact CG2-CG2 4.12Å; Q204-I227 WeakPolarHBondContact O-CA 3.29Å; L222-I227 HydrophobicContact CD1-CD1 4Å; L222-I227 HydrophobicContact CD1-CG1 3.99Å; L222-I227 HydrophobicContact CD1-CG2 3.84Å; L222-I227 HydrophobicContact CD2-CD1 4Å; L222-I227 HydrophobicContact CG-CD1 4.06Å; L222-I227 HydrophobicContact CG-CG1 4.43Å; I227-T245 CarbonylContact O-C 3.58Å; I227-T245 VanDerWaalsContact O-CA 3.31Å; I227-T245 WeakPolarHBondContact O-CA 3.33Å; I227-L246 HydrophobicContact CB-CB 4.4Å; I227-L246 PolarHBondContact N-O 2.99Å; I227-L246 PolarHBondContact O-N 3.03Å; I227-V248 HydrophobicContact CD1-CG2 4.27Å
228	V	86.5	Confident	85.9	Confident	21 Å²	21	45.9 Å²	45.9	13%	0.127	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122.1	176.2	-178.5	0	0	0	0	108.4	I203 Q204 Y209 L211 T245	I203-V228 WeakPolarHBondContact CA-O 3.4Å; Q204-V228 HydrophobicContact CB-CB 4.49Å; Q204-V228 PolarHBondContact N-O 3.04Å; Q204-V228 PolarHBondContact O-N 2.96Å; Y209-V228 HydrophobicContact CD1-CB 4.33Å; Y209-V228 HydrophobicContact CD1-CG2 3.82Å; Y209-V228 HydrophobicContact CE1-CB 4.49Å; Y209-V228 HydrophobicContact CE1-CG2 3.87Å; L211-V228 HydrophobicContact CD2-CG1 4.47Å; V228-T245 HydrophobicContact CG2-CG2 4.09Å
229	C	86.8	Confident	85.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.6	177.8	55.5	0	0	0	0	110.6	F150 L154 L158 I202 I203 S243 R244	F150-C229 VanDerWaalsContact CE2-SG 3.54Å; L154-C229 HydrophobicContact CD2-CB 4.24Å; L158-C229 HydrophobicContact CD1-CB 4.31Å; I202-C229 CarbonylContact O-C 3.55Å; I202-C229 VanDerWaalsContact O-CA 3.26Å; I202-C229 WeakPolarHBondContact O-CA 3.36Å; I203-C229 HydrophobicContact CD1-CB 3.54Å; C229-S243 CarbonylContact O-C 3.52Å; C229-S243 VanDerWaalsContact O-CA 3.26Å; C229-S243 WeakPolarHBondContact O-CA 3.3Å; C229-R244 PolarHBondContact N-O 2.63Å; C229-R244 PolarHBondContact O-N 2.7Å; C229-R244 PolarHBondContact SG-O 3.22Å
230	S	86.4	Confident	85	Confident	13 Å²	13	41.5 Å²	41.5	9%	0.091	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.8	174.9	-56.1	0	0	0	0	110.6	Y199 P201 I202 I242 S243	Y199-S230 WeakPolarHBondContact OH-CB 3.32Å; P201-S230 CarbonylContact C-O 3.36Å; P201-S230 WeakPolarHBondContact CA-O 3.47Å; I202-S230 PolarHBondContact N-O 3.16Å; I202-S230 PolarHBondContact O-N 2.91Å; S230-I242 WeakPolarHBondContact CA-O 3.3Å; S230-S243 WeakPolarHBondContact CB-OG 3.46Å; S230-S243 WeakPolarHBondContact OG-CB 3.5Å; S230-S243 PolarHBondContact OG-OG 2.84Å
231	L	86.9	Confident	84.8	Confident	1 Å²	1	40 Å²	40	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	131.9	-174.3	167.1	72.8	0	0	0	108.5	T146 F149 F150 L154 L197 P201 N241 I242	T146-L231 HydrophobicContact CG2-CD2 4.44Å; T146-L231 HydrophobicContact CG2-CG 4.4Å; F149-L231 HydrophobicContact CD1-CD1 3.93Å; F149-L231 HydrophobicContact CD1-CD2 3.6Å; F149-L231 HydrophobicContact CD1-CG 4.35Å; F149-L231 HydrophobicContact CE1-CD1 4.03Å; F149-L231 HydrophobicContact CE1-CD2 4.32Å; F149-L231 HydrophobicContact CG-CD2 4.49Å; F150-L231 HydrophobicContact CB-CD2 4.14Å; F150-L231 HydrophobicContact CD2-CD2 4.42Å; L154-L231 HydrophobicContact CD2-CB 4.38Å; L154-L231 HydrophobicContact CD2-CD2 4.46Å; L197-L231 HydrophobicContact CD2-CD1 3.78Å; P201-L231 HydrophobicContact CB-CD1 4.26Å; P201-L231 HydrophobicContact CG-CD1 3.73Å; L231-N241 PolarHBondContact O-OD1 3.45Å; L231-I242 HydrophobicContact CB-CG2 4.12Å; L231-I242 HydrophobicContact CD2-CG2 4.44Å; L231-I242 PolarHBondContact N-O 2.77Å; L231-I242 PolarHBondContact O-N 2.95Å
232	G	87.3	Confident	84.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.8	171.8	0	0	0	0	0	112.1	C198 S240	C198-G232 PolarHBondContact N-O 2.9Å; C198-G232 VanDerWaalsContact SG-C 3.53Å; G232-S240 CarbonylContact C-O 3.59Å; G232-S240 WeakPolarHBondContact CA-O 3.39Å
233	L	89.3	Confident	84.3	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.6	169.6	-64.4	174.8	0	0	0	110.1	T146 F149 L187 L195 D196 L197 C198 S240	T146-L233 PolarHBondContact OG1-N 2.85Å; F149-L233 HydrophobicContact CB-CD1 3.89Å; F149-L233 HydrophobicContact CD1-CD1 4.32Å; F149-L233 HydrophobicContact CG-CD1 4.29Å; L187-L233 HydrophobicContact CD1-CD1 4.43Å; L187-L233 HydrophobicContact CD2-CD1 4.42Å; L195-L233 HydrophobicContact CD1-CB 4.16Å; L195-L233 HydrophobicContact CD2-CD1 4.25Å; D196-L233 CarbonylContact O-C 3.56Å; D196-L233 WeakPolarHBondContact O-CA 3.29Å; L197-L233 HydrophobicContact CD2-CD2 3.62Å; L197-L233 HydrophobicContact CG-CD2 4.12Å; C198-L233 PolarHBondContact SG-O 2.8Å; L233-S240 PolarHBondContact N-O 2.73Å; L233-S240 PolarHBondContact O-N 3.29Å
234	R	88.2	Confident	84.3	Confident	70 Å²	70	38.3 Å²	38.3	26%	0.264	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113	-179.8	179.6	173.1	62.5	171.9	-13.2	108.4	L195 D196 Y238	L195-R234 CarbonylContact C-O 3.46Å; L195-R234 WeakPolarHBondContact CA-O 3.17Å; D196-R234 PolarHBondContact N-O 3.3Å; D196-R234 PolarHBondContact O-N 3.2Å; D196-R234 IonicContact OD2-CZ 3.11Å; D196-R234 IonicContact OD2-NH2 2.94Å; D196-R234 PolarHBondContact OD2-NH2 3Å; R234-Y238 WeakPolarHBondContact CA-O 3.06Å
235	Y	86.6	Confident	84.6	Confident	32 Å²	32	36.7 Å²	36.7	13%	0.125	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.7	175	-176.1	-109.5	0	0	0	109.3	L138 T141 V190 K194 L195 Q237 Y238	L138-Y235 HydrophobicContact CD2-CD1 4.06Å; L138-Y235 HydrophobicContact CD2-CE1 3.8Å; T141-Y235 HydrophobicContact CG2-CD1 3.75Å; T141-Y235 HydrophobicContact CG2-CE1 3.74Å; T141-Y235 HydrophobicContact CG2-CG 4.18Å; V190-Y235 HydrophobicContact CG1-CD2 3.59Å; V190-Y235 HydrophobicContact CG1-CE2 3.43Å; V190-Y235 VanDerWaalsContact CG1-CE2 3.43Å; K194-Y235 HydrophobicContact CB-CD2 4.13Å; K194-Y235 HydrophobicContact CB-CE2 3.72Å; K194-Y235 WeakPolarHBondContact O-CA 3.39Å; L195-Y235 HydrophobicContact CB-CD2 4.29Å; L195-Y235 HydrophobicContact CD1-CD2 3.93Å; L195-Y235 HydrophobicContact CD1-CG 4.32Å; Y235-Q237 PolarHBondContact O-N 2.94Å; Y235-Y238 PolarHBondContact N-O 2.88Å; Y235-Y238 PolarHBondContact O-N 2.89Å
236	M	85.2	Confident	84.9	Confident	75 Å²	75	37.4 Å²	37.4	37%	0.369	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	44.1	-177.6	-69.3	-72	-84.1	0	0	112.7	L138 K194 Y238	L138-M236 HydrophobicContact CD1-CB 4.36Å; L138-M236 HydrophobicContact CD2-CB 4.26Å; L138-M236 HydrophobicContact CD2-CG 4.35Å; K194-M236 HydrophobicContact CB-CG 3.98Å; K194-M236 HydrophobicContact CB-SD 3.83Å; K194-M236 HydrophobicContact CD-CE 4.43Å; K194-M236 HydrophobicContact CD-CG 4Å; K194-M236 HydrophobicContact CD-SD 3.43Å; K194-M236 WeakPolarHBondContact CD-SD 3.31Å; K194-M236 HydrophobicContact CG-CG 4.28Å; K194-M236 HydrophobicContact CG-SD 3.54Å; K194-M236 VanDerWaalsContact CG-SD 3.54Å; K194-M236 PolarHBondContact O-N 2.73Å; M236-Y238 VanDerWaalsContact O-CD2 3.22Å; M236-Y238 WeakPolarHBondContact O-CD2 3.38Å; M236-Y238 PolarHBondContact O-N 3.37Å
237	Q	79.9	Confident	85	Confident	113 Å²	113	38.8 Å²	38.8	53%	0.528	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	4.8	-176.5	-53.7	-61.9	-20.8	0	0	116.7	Y235	Y235-Q237 PolarHBondContact O-N 2.94Å
238	Y	81	Confident	84.9	Confident	36 Å²	36	40.2 Å²	40.2	14%	0.141	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.2	171.2	-68.3	-87.3	0	0	0	110.9	K131 E135 L138 I139 A142 R234 Y235 M236	K131-Y238 HydrophobicContact CD-CE1 4.37Å; E135-Y238 HydrophobicContact CB-CE1 3.91Å; E135-Y238 HydrophobicContact CG-CE1 4.15Å; E135-Y238 VanDerWaalsContact CG-OH 3.28Å; E135-Y238 WeakPolarHBondContact CG-OH 3.24Å; E135-Y238 PolarHBondContact OE1-OH 3.06Å; L138-Y238 HydrophobicContact CB-CD2 3.71Å; L138-Y238 HydrophobicContact CB-CE2 4.28Å; L138-Y238 HydrophobicContact CB-CG 4.16Å; L138-Y238 HydrophobicContact CD1-CD2 3.72Å; L138-Y238 HydrophobicContact CD1-CE2 3.54Å; L138-Y238 HydrophobicContact CG-CD2 4.37Å; I139-Y238 HydrophobicContact CD1-CD1 3.88Å; I139-Y238 HydrophobicContact CD1-CE1 4.47Å; I139-Y238 HydrophobicContact CG1-CD1 3.52Å; I139-Y238 HydrophobicContact CG1-CE1 4.48Å; I139-Y238 HydrophobicContact CG1-CG 3.93Å; A142-Y238 VanDerWaalsContact CB-O 3.3Å; A142-Y238 WeakPolarHBondContact CB-O 3.3Å; R234-Y238 WeakPolarHBondContact CA-O 3.06Å; Y235-Y238 PolarHBondContact N-O 2.88Å; Y235-Y238 PolarHBondContact O-N 2.89Å; M236-Y238 VanDerWaalsContact O-CD2 3.22Å; M236-Y238 WeakPolarHBondContact O-CD2 3.38Å; M236-Y238 PolarHBondContact O-N 3.37Å
239	C	82.8	Confident	84.7	Confident	78 Å²	78	46.7 Å²	46.7	53%	0.527	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	141.2	-177.1	-59.5	0	0	0	0	112.1	C198	C198-C239 VanDerWaalsContact SG-CB 3.54Å; C198-C239 VanDerWaalsContact SG-SG 3.65Å
240	S	83.3	Confident	84.4	Confident	11 Å²	11	48.2 Å²	48.2	8%	0.077	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.1	163.2	155.5	0	0	0	0	108.6	A142 C143 T146 G232 L233	A142-S240 VanDerWaalsContact C-CB 3.45Å; A142-S240 WeakPolarHBondContact O-CB 3.4Å; C143-S240 WeakPolarHBondContact CA-OG 3.29Å; T146-S240 VanDerWaalsContact CB-OG 3.3Å; T146-S240 WeakPolarHBondContact CB-OG 3.14Å; T146-S240 VanDerWaalsContact OG1-CB 3.28Å; T146-S240 WeakPolarHBondContact OG1-CB 3.36Å; T146-S240 PolarHBondContact OG1-OG 2.61Å; G232-S240 CarbonylContact C-O 3.59Å; G232-S240 WeakPolarHBondContact CA-O 3.39Å; L233-S240 PolarHBondContact N-O 2.73Å; L233-S240 PolarHBondContact O-N 3.29Å
241	N	84.8	Confident	84.1	Confident	62 Å²	62	50.8 Å²	50.8	33%	0.332	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.4	177.9	-169.1	49.2	0	0	0	111.9	Y199 Y213 L231	Y199-N241 PolarHBondContact OH-OD1 2.75Å; Y213-N241 WeakPolarHBondContact CE1-ND2 3.12Å; Y213-N241 VanDerWaalsContact CZ-ND2 3.27Å; Y213-N241 PolarHBondContact OH-ND2 3.23Å; Y213-N241 VanDerWaalsContact OH-ND2 3.1Å; L231-N241 PolarHBondContact O-OD1 3.45Å
242	I	83.7	Confident	83.7	Confident	15 Å²	15	54.7 Å²	54.7	8%	0.077	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.1	170.2	-162.6	172.9	0	0	0	109.6	T146 F150 S230 L231 R244	T146-I242 HydrophobicContact CG2-CB 4.04Å; T146-I242 HydrophobicContact CG2-CG2 3.62Å; F150-I242 HydrophobicContact CB-CG2 4.26Å; F150-I242 HydrophobicContact CD1-CD1 4.36Å; F150-I242 HydrophobicContact CD2-CG2 3.93Å; F150-I242 HydrophobicContact CG-CD1 4.25Å; F150-I242 HydrophobicContact CG-CG2 4.24Å; S230-I242 WeakPolarHBondContact CA-O 3.3Å; L231-I242 HydrophobicContact CB-CG2 4.12Å; L231-I242 HydrophobicContact CD2-CG2 4.44Å; L231-I242 PolarHBondContact N-O 2.77Å; L231-I242 PolarHBondContact O-N 2.95Å; I242-R244 HydrophobicContact CD1-CG 4.26Å; I242-R244 HydrophobicContact CG1-CG 4.15Å
243	S	84.6	Confident	83.4	Confident	45 Å²	45	60.5 Å²	60.5	32%	0.315	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.4	168.6	-61.6	0	0	0	0	108.9	C229 S230	C229-S243 CarbonylContact O-C 3.52Å; C229-S243 VanDerWaalsContact O-CA 3.26Å; C229-S243 WeakPolarHBondContact O-CA 3.3Å; S230-S243 WeakPolarHBondContact CB-OG 3.46Å; S230-S243 WeakPolarHBondContact OG-CB 3.5Å; S230-S243 PolarHBondContact OG-OG 2.84Å
244	R	84	Confident	82.7	Confident	107 Å²	107	63.4 Å²	63.4	40%	0.404	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.7	179.3	-67.3	-65.6	179.2	-100.9	5.7	110	F150 C229 I242	F150-R244 HydrophobicContact CE1-CB 4.47Å; F150-R244 HydrophobicContact CE1-CG 4.09Å; F150-R244 HydrophobicContact CE2-CB 4.19Å; F150-R244 HydrophobicContact CE2-CG 4.26Å; F150-R244 HydrophobicContact CZ-CB 3.69Å; F150-R244 HydrophobicContact CZ-CG 3.73Å; C229-R244 PolarHBondContact N-O 2.63Å; C229-R244 PolarHBondContact O-N 2.7Å; C229-R244 PolarHBondContact SG-O 3.22Å; I242-R244 HydrophobicContact CD1-CG 4.26Å; I242-R244 HydrophobicContact CG1-CG 4.15Å
245	T	85.1	Confident	82.1	Confident	43 Å²	43	64.9 Å²	64.9	26%	0.264	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.1	170.4	-52	0	0	0	0	107.6	A226 I227 V228 L247	A226-T245 HydrophobicContact CB-CG2 4.15Å; I227-T245 CarbonylContact O-C 3.58Å; I227-T245 VanDerWaalsContact O-CA 3.31Å; I227-T245 WeakPolarHBondContact O-CA 3.33Å; V228-T245 HydrophobicContact CG2-CG2 4.09Å; T245-L247 HydrophobicContact CG2-CD2 3.89Å; T245-L247 HydrophobicContact CG2-CG 4.46Å
246	L	84.2	Confident	81.6	Confident	39 Å²	39	68.3 Å²	68.3	20%	0.204	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.2	168.4	-59	177.8	0	0	0	107.6	L158 I227	L158-L246 HydrophobicContact CB-CD1 3.8Å; L158-L246 HydrophobicContact CD1-CD1 3.68Å; L158-L246 HydrophobicContact CG-CD1 4.39Å; I227-L246 HydrophobicContact CB-CB 4.4Å; I227-L246 PolarHBondContact N-O 2.99Å; I227-L246 PolarHBondContact O-N 3.03Å
247	L	82.6	Confident	81.2	Confident	51 Å²	51	67.4 Å²	67.4	27%	0.267	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.1	177.8	-63.2	178.3	0	0	0	108.7	G225 A226 T245 P250 L254 Y258	G225-L247 CarbonylContact O-C 3.58Å; G225-L247 VanDerWaalsContact O-CA 3.31Å; G225-L247 WeakPolarHBondContact O-CA 3.28Å; A226-L247 HydrophobicContact CB-CD2 3.82Å; T245-L247 HydrophobicContact CG2-CD2 3.89Å; T245-L247 HydrophobicContact CG2-CG 4.46Å; L247-P250 HydrophobicContact CB-CB 3.9Å; L247-P250 HydrophobicContact CB-CG 3.71Å; L247-P250 HydrophobicContact CD1-CB 3.95Å; L247-P250 HydrophobicContact CD1-CG 4.14Å; L247-P250 HydrophobicContact CG-CB 4.37Å; L247-L254 HydrophobicContact CD1-CG 4.33Å; L247-L254 HydrophobicContact CD2-CD2 3.75Å; L247-L254 HydrophobicContact CD2-CG 4.17Å; L247-Y258 HydrophobicContact CD1-CD2 4.48Å; L247-Y258 HydrophobicContact CD1-CG 4.22Å
248	V	84	Confident	80.9	Confident	31 Å²	31	66.2 Å²	66.2	19%	0.188	36%	0.355	C	S	.	.	S	Bend	trans	-105	120.3	171.9	-172.4	0	0	0	0	106.8	V162 G225 I227	V162-V248 HydrophobicContact CG1-CG1 3.85Å; V162-V248 HydrophobicContact CG1-CG2 4.02Å; V162-V248 HydrophobicContact CG2-CG2 4.02Å; G225-V248 PolarHBondContact O-N 3.3Å; I227-V248 HydrophobicContact CD1-CG2 4.27Å
249	D	82.3	Confident	80.7	Confident	157 Å²	157	66.7 Å²	66.7	84%	0.84	37%	0.366	S	S	*	.	S	Bend	trans	44.8	54.1	-176.3	-58.5	-32.7	0	0	0	115.7
250	P	79.5	Confident	80.4	Confident	33 Å²	33	64.7 Å²	64.7	21%	0.214	35%	0.35	C	S	.	.			trans	-70.6	141.9	-177.9	29	-33.9	0	0	0	112.7	L247 L254 Q255	L247-P250 HydrophobicContact CB-CB 3.9Å; L247-P250 HydrophobicContact CB-CG 3.71Å; L247-P250 HydrophobicContact CD1-CB 3.95Å; L247-P250 HydrophobicContact CD1-CG 4.14Å; L247-P250 HydrophobicContact CG-CB 4.37Å; P250-L254 HydrophobicContact CB-CB 4.25Å; P250-L254 HydrophobicContact CB-CD2 3.98Å; P250-L254 HydrophobicContact CB-CG 4.3Å; P250-Q255 HydrophobicContact CB-CG 3.94Å; P250-Q255 HydrophobicContact CG-CG 3.7Å; P250-Q255 PolarHBondContact O-NE2 3.44Å; P250-Q255 VanDerWaalsContact O-NE2 3.09Å
251	S	80.6	Confident	80.2	Confident	67 Å²	67	68.6 Å²	68.6	47%	0.469	37%	0.37	S	S	.	.			trans	-60.4	154.4	167.7	69.1	0	0	0	0	111.4	E253 L254 Q255	S251-E253 PolarHBondContact O-N 3.34Å; S251-L254 PolarHBondContact O-N 3.4Å; S251-L254 PolarHBondContact OG-N 3.45Å; S251-Q255 WeakPolarHBondContact O-CG 3.3Å; S251-Q255 PolarHBondContact O-N 2.87Å
252	S	79.4	Confident	79.6	Confident	82 Å²	82	67.8 Å²	67.8	57%	0.573	37%	0.368	S	S	*	.	H	α-helix	trans	-53.5	-39.1	175.3	-170.6	0	0	0	0	111.7	L254 Q255 D256	S252-L254 PolarHBondContact O-N 2.99Å; S252-Q255 PolarHBondContact O-N 3.45Å; S252-D256 VanDerWaalsContact O-CG 3.3Å; S252-D256 PolarHBondContact O-N 3.22Å
253	E	79.9	Confident	79.3	Confident	123 Å²	123	71.4 Å²	71.4	58%	0.575	39%	0.388	S	S	*	.	H	α-helix	trans	-61.7	-42.2	177.2	-61.8	178.2	173	0	0	112	S251 D256 I257	S251-E253 PolarHBondContact O-N 3.34Å; E253-D256 PolarHBondContact O-N 3.47Å; E253-I257 WeakPolarHBondContact O-CD1 3.27Å; E253-I257 WeakPolarHBondContact O-CG1 3.42Å; E253-I257 PolarHBondContact O-N 3.06Å
254	L	74.9	Confident	78.9	Confident	61 Å²	61	69.7 Å²	69.7	32%	0.319	38%	0.376	S	S	.	.	H	α-helix	trans	-69.2	-36.5	178.8	-173.7	59.6	0	0	0	111.8	L247 P250 S251 S252 I257 Y258	L247-L254 HydrophobicContact CD1-CG 4.33Å; L247-L254 HydrophobicContact CD2-CD2 3.75Å; L247-L254 HydrophobicContact CD2-CG 4.17Å; P250-L254 HydrophobicContact CB-CB 4.25Å; P250-L254 HydrophobicContact CB-CD2 3.98Å; P250-L254 HydrophobicContact CB-CG 4.3Å; S251-L254 PolarHBondContact O-N 3.4Å; S251-L254 PolarHBondContact OG-N 3.45Å; S252-L254 PolarHBondContact O-N 2.99Å; L254-I257 PolarHBondContact O-N 3.42Å; L254-Y258 WeakPolarHBondContact O-CB 3.15Å; L254-Y258 PolarHBondContact O-N 2.96Å
255	Q	74.9	Confident	78.5	Confident	101 Å²	101	69.6 Å²	69.6	47%	0.472	38%	0.379	S	S	.	.	H	α-helix	trans	-63	-44.2	173.6	-64.2	178.5	26.6	0	0	111.2	P250 S251 S252 I257 Y258 A259	P250-Q255 HydrophobicContact CB-CG 3.94Å; P250-Q255 HydrophobicContact CG-CG 3.7Å; P250-Q255 PolarHBondContact O-NE2 3.44Å; P250-Q255 VanDerWaalsContact O-NE2 3.09Å; S251-Q255 WeakPolarHBondContact O-CG 3.3Å; S251-Q255 PolarHBondContact O-N 2.87Å; S252-Q255 PolarHBondContact O-N 3.45Å; Q255-I257 PolarHBondContact O-N 3.45Å; Q255-Y258 PolarHBondContact O-N 3.32Å; Q255-A259 WeakPolarHBondContact O-CB 3.43Å; Q255-A259 PolarHBondContact O-N 3.42Å
256	D	78	Confident	78.1	Confident	105 Å²	105	72.9 Å²	72.9	56%	0.561	39%	0.392	S	S	*	.	H	α-helix	trans	-63.1	-42.1	176.8	-70.8	-26.4	0	0	0	111.8	S252 E253 A259 L260	S252-D256 VanDerWaalsContact O-CG 3.3Å; S252-D256 PolarHBondContact O-N 3.22Å; E253-D256 PolarHBondContact O-N 3.47Å; D256-A259 PolarHBondContact O-N 2.89Å; D256-L260 WeakPolarHBondContact O-CB 3.33Å; D256-L260 PolarHBondContact O-N 2.86Å
257	I	75.7	Confident	77.8	Confident	56 Å²	56	73.5 Å²	73.5	29%	0.287	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-44.3	175.1	-68.1	164	0	0	0	110.6	E253 L254 Q255 L260 L261 F294	E253-I257 WeakPolarHBondContact O-CD1 3.27Å; E253-I257 WeakPolarHBondContact O-CG1 3.42Å; E253-I257 PolarHBondContact O-N 3.06Å; L254-I257 PolarHBondContact O-N 3.42Å; Q255-I257 PolarHBondContact O-N 3.45Å; I257-L260 WeakPolarHBondContact O-CB 3.33Å; I257-L260 PolarHBondContact O-N 3.19Å; I257-L261 HydrophobicContact CG2-CD1 4.19Å; I257-L261 WeakPolarHBondContact O-CG 3.33Å; I257-L261 PolarHBondContact O-N 3.09Å; I257-F294 HydrophobicContact CD1-CE2 3.63Å; I257-F294 HydrophobicContact CD1-CZ 3.93Å; I257-F294 HydrophobicContact CG1-CE2 3.81Å; I257-F294 HydrophobicContact CG1-CZ 4.04Å
258	Y	73.6	Confident	77.4	Confident	87 Å²	87	72.6 Å²	72.6	34%	0.341	39%	0.389	S	S	.	.	H	α-helix	trans	-64	-46	178.6	-174.8	-99.3	0	0	0	111.6	L247 L254 Q255 L260 L261 C262	L247-Y258 HydrophobicContact CD1-CD2 4.48Å; L247-Y258 HydrophobicContact CD1-CG 4.22Å; L254-Y258 WeakPolarHBondContact O-CB 3.15Å; L254-Y258 PolarHBondContact O-N 2.96Å; Q255-Y258 PolarHBondContact O-N 3.32Å; Y258-L260 VanDerWaalsContact C-N 3.29Å; Y258-L260 PolarHBondContact O-N 3.17Å; Y258-L261 PolarHBondContact O-N 3.38Å; Y258-L261 VanDerWaalsContact O-N 3.13Å; Y258-C262 PolarHBondContact O-N 3.43Å; Y258-C262 PolarHBondContact O-SG 2.99Å
259	A	77.6	Confident	76.9	Confident	47 Å²	47	75.6 Å²	75.6	39%	0.388	40%	0.403	S	S	.	.	H	α-helix	trans	-59.9	-40.3	175.9	0	0	0	0	0	111.8	Q255 D256 C262 N263	Q255-A259 WeakPolarHBondContact O-CB 3.43Å; Q255-A259 PolarHBondContact O-N 3.42Å; D256-A259 PolarHBondContact O-N 2.89Å; A259-C262 PolarHBondContact O-N 3.41Å; A259-N263 PolarHBondContact O-N 3.32Å; A259-N263 PolarHBondContact O-ND2 3.4Å
260	L	76.4	Confident	76.8	Confident	35 Å²	35	73.5 Å²	73.5	18%	0.183	39%	0.389	C	S	.	.	H	α-helix	trans	-60.3	-48.5	172.8	172	54.5	0	0	0	111.9	D256 I257 Y258 C262 N263 V264 Y290	D256-L260 WeakPolarHBondContact O-CB 3.33Å; D256-L260 PolarHBondContact O-N 2.86Å; I257-L260 WeakPolarHBondContact O-CB 3.33Å; I257-L260 PolarHBondContact O-N 3.19Å; Y258-L260 VanDerWaalsContact C-N 3.29Å; Y258-L260 PolarHBondContact O-N 3.17Å; L260-C262 VanDerWaalsContact C-N 3.32Å; L260-C262 PolarHBondContact O-N 2.82Å; L260-N263 WeakPolarHBondContact O-CB 3.4Å; L260-N263 PolarHBondContact O-N 2.7Å; L260-N263 VanDerWaalsContact O-N 3.15Å; L260-V264 HydrophobicContact CD1-CG2 4Å; L260-V264 WeakPolarHBondContact O-CG2 3.45Å; L260-V264 PolarHBondContact O-N 3.38Å; L260-Y290 HydrophobicContact CD1-CD1 4.43Å; L260-Y290 HydrophobicContact CD1-CD2 4.05Å; L260-Y290 HydrophobicContact CD1-CG 3.68Å; L260-Y290 WeakPolarHBondContact CD2-O 3.31Å
261	L	78.1	Confident	76.7	Confident	94 Å²	94	72.3 Å²	72.3	49%	0.492	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-41.7	178.8	-73.7	170.9	0	0	0	111.9	I257 Y258 N263 V264 Q265 L287	I257-L261 HydrophobicContact CG2-CD1 4.19Å; I257-L261 WeakPolarHBondContact O-CG 3.33Å; I257-L261 PolarHBondContact O-N 3.09Å; Y258-L261 PolarHBondContact O-N 3.38Å; Y258-L261 VanDerWaalsContact O-N 3.13Å; L261-N263 PolarHBondContact O-N 3.47Å; L261-V264 PolarHBondContact O-N 2.86Å; L261-Q265 WeakPolarHBondContact O-CB 3.12Å; L261-Q265 PolarHBondContact O-N 3.34Å; L261-L287 HydrophobicContact CD2-CD2 4.47Å
262	C	73.1	Confident	76.3	Confident	44 Å²	44	74.7 Å²	74.7	30%	0.297	39%	0.388	S	S	.	.	H	α-helix	trans	-60.1	-44.2	173.6	-70.3	0	0	0	0	112.1	Y258 A259 L260 V264 Q265 Q266	Y258-C262 PolarHBondContact O-N 3.43Å; Y258-C262 PolarHBondContact O-SG 2.99Å; A259-C262 PolarHBondContact O-N 3.41Å; L260-C262 VanDerWaalsContact C-N 3.32Å; L260-C262 PolarHBondContact O-N 2.82Å; C262-V264 PolarHBondContact O-N 3.03Å; C262-Q265 WeakPolarHBondContact O-CB 3.29Å; C262-Q265 PolarHBondContact O-N 2.65Å; C262-Q266 PolarHBondContact O-N 3.38Å
263	N	77	Confident	76.1	Confident	91 Å²	91	77 Å²	77	49%	0.487	39%	0.388	S	S	.	.	H	α-helix	trans	-63.1	-41.1	177.2	-75.4	-31.9	0	0	0	112.4	A259 L260 L261 K267	A259-N263 PolarHBondContact O-N 3.32Å; A259-N263 PolarHBondContact O-ND2 3.4Å; L260-N263 WeakPolarHBondContact O-CB 3.4Å; L260-N263 PolarHBondContact O-N 2.7Å; L260-N263 VanDerWaalsContact O-N 3.15Å; L261-N263 PolarHBondContact O-N 3.47Å; N263-K267 WeakPolarHBondContact O-CG 3.37Å; N263-K267 PolarHBondContact O-N 3.27Å; N263-K267 VanDerWaalsContact O-N 3.14Å
264	V	75.7	Confident	75.5	Confident	10 Å²	10	77.1 Å²	77.1	6%	0.061	40%	0.399	C	S	.	.	H	α-helix	trans	-65	-44.9	175.3	171.6	0	0	0	0	110.5	L260 L261 C262 Q266 K267 V268 C286 L287	L260-V264 HydrophobicContact CD1-CG2 4Å; L260-V264 WeakPolarHBondContact O-CG2 3.45Å; L260-V264 PolarHBondContact O-N 3.38Å; L261-V264 PolarHBondContact O-N 2.86Å; C262-V264 PolarHBondContact O-N 3.03Å; V264-Q266 VanDerWaalsContact C-N 3.34Å; V264-Q266 PolarHBondContact O-N 3.39Å; V264-K267 PolarHBondContact O-N 3.38Å; V264-V268 HydrophobicContact CG1-CG2 4.27Å; V264-V268 VanDerWaalsContact O-CG2 3.3Å; V264-V268 WeakPolarHBondContact O-CG2 3.48Å; V264-V268 PolarHBondContact O-N 3.26Å; V264-C286 HydrophobicContact CG1-CB 4.32Å; V264-C286 HydrophobicContact CG2-CB 4.22Å; V264-L287 HydrophobicContact CB-CD2 4.46Å; V264-L287 HydrophobicContact CG1-CD2 4.33Å; V264-L287 HydrophobicContact CG1-CG 3.99Å; V264-L287 HydrophobicContact CG2-CD2 3.82Å; V264-L287 HydrophobicContact CG2-CG 4.04Å
265	Q	75.4	Confident	75	Confident	104 Å²	104	79.3 Å²	79.3	49%	0.486	42%	0.42	S	S	.	.	H	α-helix	trans	-56.6	-47.6	177	-178.4	-177.5	16.5	0	0	111.3	L261 C262 K267 V268 I269	L261-Q265 WeakPolarHBondContact O-CB 3.12Å; L261-Q265 PolarHBondContact O-N 3.34Å; C262-Q265 WeakPolarHBondContact O-CB 3.29Å; C262-Q265 PolarHBondContact O-N 2.65Å; Q265-K267 PolarHBondContact O-N 3.43Å; Q265-V268 PolarHBondContact O-N 3.42Å; Q265-I269 HydrophobicContact CG-CD1 4.02Å; Q265-I269 WeakPolarHBondContact O-CG1 3.46Å; Q265-I269 PolarHBondContact O-N 2.94Å
266	Q	76.5	Confident	74.6	Confident	113 Å²	113	80.1 Å²	80.1	53%	0.528	42%	0.422	S	S	.	.	H	α-helix	trans	-56	-49.1	176.7	-171.5	76.6	16.8	0	0	111.3	C262 V264 V268 I269 E270	C262-Q266 PolarHBondContact O-N 3.38Å; V264-Q266 VanDerWaalsContact C-N 3.34Å; V264-Q266 PolarHBondContact O-N 3.39Å; Q266-V268 VanDerWaalsContact C-N 3.33Å; Q266-V268 PolarHBondContact O-N 2.85Å; Q266-I269 PolarHBondContact O-N 3.26Å; Q266-E270 WeakPolarHBondContact O-CG 3.41Å; Q266-E270 PolarHBondContact O-N 2.9Å
267	K	79.4	Confident	73.7	Confident	52 Å²	52	83.9 Å²	83.9	23%	0.226	44%	0.436	C	S	.	.	H	α-helix	trans	-62.7	-38.5	178.1	-71.8	-170.3	-175.4	-167.1	0	112.8	N263 V264 Q265 E270 A271 Y282 C286 Y290	N263-K267 WeakPolarHBondContact O-CG 3.37Å; N263-K267 PolarHBondContact O-N 3.27Å; N263-K267 VanDerWaalsContact O-N 3.14Å; V264-K267 PolarHBondContact O-N 3.38Å; Q265-K267 PolarHBondContact O-N 3.43Å; K267-E270 PolarHBondContact O-N 3.23Å; K267-A271 WeakPolarHBondContact O-CB 3.48Å; K267-A271 PolarHBondContact O-N 2.81Å; K267-Y282 HydrophobicContact CB-CE1 4.06Å; K267-Y282 WeakPolarHBondContact O-CE1 3.5Å; K267-C286 HydrophobicContact CD-CB 4.47Å; K267-Y290 VanDerWaalsContact NZ-CE2 3.34Å; K267-Y290 PolarHBondContact NZ-OH 2.82Å
268	V	74.4	Confident	73.5	Confident	31 Å²	31	84.6 Å²	84.6	19%	0.188	45%	0.446	C	S	.	.	H	α-helix	trans	-64.6	-42.2	176.6	169.4	0	0	0	0	110.9	V264 Q265 Q266 A271 L272 V279 A283	V264-V268 HydrophobicContact CG1-CG2 4.27Å; V264-V268 VanDerWaalsContact O-CG2 3.3Å; V264-V268 WeakPolarHBondContact O-CG2 3.48Å; V264-V268 PolarHBondContact O-N 3.26Å; Q265-V268 PolarHBondContact O-N 3.42Å; Q266-V268 VanDerWaalsContact C-N 3.33Å; Q266-V268 PolarHBondContact O-N 2.85Å; V268-A271 PolarHBondContact O-N 3.18Å; V268-A271 VanDerWaalsContact O-N 3.15Å; V268-L272 WeakPolarHBondContact O-CG 3.47Å; V268-L272 PolarHBondContact O-N 2.79Å; V268-V279 HydrophobicContact CG1-CG1 3.75Å; V268-A283 HydrophobicContact CG2-CB 3.39Å
269	I	71.6	Confident	73.4	Confident	94 Å²	94	81.6 Å²	81.6	48%	0.482	44%	0.437	S	S	.	.	H	α-helix	trans	-60.8	-44.9	174.8	-67.8	167.2	0	0	0	110.7	Q265 Q266 A271 L272	Q265-I269 HydrophobicContact CG-CD1 4.02Å; Q265-I269 WeakPolarHBondContact O-CG1 3.46Å; Q265-I269 PolarHBondContact O-N 2.94Å; Q266-I269 PolarHBondContact O-N 3.26Å; I269-A271 PolarHBondContact O-N 3.35Å; I269-L272 WeakPolarHBondContact O-CB 3.48Å; I269-L272 PolarHBondContact O-N 3.36Å; I269-L272 VanDerWaalsContact O-N 3.15Å
270	E	80.9	Confident	73.2	Confident	114 Å²	114	87.9 Å²	87.9	53%	0.533	45%	0.451	S	S	.	.	H	α-helix	trans	-64.6	-28.7	176.1	-69.9	172.5	-168.9	0	0	113.2	Q266 K267 K273	Q266-E270 WeakPolarHBondContact O-CG 3.41Å; Q266-E270 PolarHBondContact O-N 2.9Å; K267-E270 PolarHBondContact O-N 3.23Å; E270-K273 VanDerWaalsContact O-CE 3.28Å; E270-K273 WeakPolarHBondContact O-CE 3.42Å
271	A	78.1	Confident	73.1	Confident	8 Å²	8	91.3 Å²	91.3	7%	0.066	47%	0.47	C	S	.	.	H	α-helix	trans	-79.6	-17.7	176.2	0	0	0	0	0	113.6	K267 V268 I269 K273 K276 Y282	K267-A271 WeakPolarHBondContact O-CB 3.48Å; K267-A271 PolarHBondContact O-N 2.81Å; V268-A271 PolarHBondContact O-N 3.18Å; V268-A271 VanDerWaalsContact O-N 3.15Å; I269-A271 PolarHBondContact O-N 3.35Å; A271-K273 VanDerWaalsContact C-N 3.33Å; A271-K273 PolarHBondContact O-N 3.11Å; A271-K276 VanDerWaalsContact O-CD 3.25Å; A271-K276 WeakPolarHBondContact O-CD 3.44Å; A271-Y282 HydrophobicContact CB-CD1 3.44Å; A271-Y282 VanDerWaalsContact CB-CD1 3.44Å; A271-Y282 HydrophobicContact CB-CE1 3.63Å; A271-Y282 HydrophobicContact CB-CG 4.25Å
272	L	71.9	Confident	73.1	Confident	116 Å²	116	91.1 Å²	91.1	61%	0.607	46%	0.463	S	S	*	.			trans	-72.9	85.3	175.5	-76.3	166.4	0	0	0	110.4	V268 I269 V279	V268-L272 WeakPolarHBondContact O-CG 3.47Å; V268-L272 PolarHBondContact O-N 2.79Å; I269-L272 WeakPolarHBondContact O-CB 3.48Å; I269-L272 PolarHBondContact O-N 3.36Å; I269-L272 VanDerWaalsContact O-N 3.15Å; L272-V279 HydrophobicContact CD2-CB 4.37Å; L272-V279 HydrophobicContact CD2-CG1 3.99Å; L272-V279 HydrophobicContact CD2-CG2 3.98Å; L272-V279 HydrophobicContact CG-CG1 4.1Å
273	K	74.1	Confident	72.8	Confident	131 Å²	131	89.9 Å²	89.9	57%	0.57	46%	0.456	S	S	*	.			trans	-120.3	153.1	174.5	-62.3	-173.3	-178.4	-176	0	110.1	E270 A271 S275 K276	E270-K273 VanDerWaalsContact O-CE 3.28Å; E270-K273 WeakPolarHBondContact O-CE 3.42Å; A271-K273 VanDerWaalsContact C-N 3.33Å; A271-K273 PolarHBondContact O-N 3.11Å; K273-S275 PolarHBondContact O-N 3.12Å; K273-K276 HydrophobicContact CB-CD 4.38Å; K273-K276 PolarHBondContact O-N 2.9Å
274	P	68.3	Low	72.8	Confident	125 Å²	125	88.8 Å²	88.8	81%	0.812	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	140.5	174.4	-26.6	34.2	0	0	0	111.5	K276	P274-K276 VanDerWaalsContact C-N 3.29Å; P274-K276 PolarHBondContact O-N 3.2Å
275	S	63.5	Low	72.7	Confident	108 Å²	108	92.6 Å²	92.6	76%	0.755	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	9.3	178.3	-46.2	0	0	0	0	116.8	K273	K273-S275 PolarHBondContact O-N 3.12Å
276	K	66.9	Low	72.5	Confident	117 Å²	117	87.7 Å²	87.7	51%	0.509	44%	0.444	S	S	.	.			trans	-92.9	114.4	170	-73.5	-165.9	172.7	-172.3	0	111.6	A271 K273 P274 V279	A271-K276 VanDerWaalsContact O-CD 3.25Å; A271-K276 WeakPolarHBondContact O-CD 3.44Å; K273-K276 HydrophobicContact CB-CD 4.38Å; K273-K276 PolarHBondContact O-N 2.9Å; P274-K276 VanDerWaalsContact C-N 3.29Å; P274-K276 PolarHBondContact O-N 3.2Å; K276-V279 HydrophobicContact CB-CG2 4.29Å
277	H	59	Low	72	Confident	184 Å²	184	85.4 Å²	85.4	85%	0.852	44%	0.435	S	S	*	.			trans	-95.7	-15	-177.1	-56.1	-68.7	0	0	0	114.2
278	S	71.2	Confident	71.5	Confident	72 Å²	72	86 Å²	86	50%	0.503	45%	0.446	S	S	.	.			trans	-108.6	30	-170.8	63.9	0	0	0	0	114.5	Y280 N281 Y282	S278-Y280 PolarHBondContact O-N 3.47Å; S278-N281 PolarHBondContact O-N 3.39Å; S278-N281 VanDerWaalsContact O-N 3.13Å; S278-Y282 PolarHBondContact O-N 2.81Å; S278-Y282 VanDerWaalsContact O-N 3.1Å
279	V	72.9	Confident	71	Confident	24 Å²	24	89.1 Å²	89.1	15%	0.145	46%	0.461	C	S	.	.	H	α-helix	trans	-59.7	-35.9	-177.9	-179.2	0	0	0	0	111.8	V268 L272 K276 Y282 A283	V268-V279 HydrophobicContact CG1-CG1 3.75Å; L272-V279 HydrophobicContact CD2-CB 4.37Å; L272-V279 HydrophobicContact CD2-CG1 3.99Å; L272-V279 HydrophobicContact CD2-CG2 3.98Å; L272-V279 HydrophobicContact CG-CG1 4.1Å; K276-V279 HydrophobicContact CB-CG2 4.29Å; V279-Y282 WeakPolarHBondContact O-CB 3.3Å; V279-Y282 PolarHBondContact O-N 3.47Å; V279-A283 PolarHBondContact O-N 2.87Å
280	Y	72.2	Confident	70.5	Confident	178 Å²	178	89.9 Å²	89.9	70%	0.698	46%	0.458	S	S	*	.	H	α-helix	trans	-58.8	-49.7	173.8	179	-96.3	0	0	0	112.3	S278 Y282 A283 V284	S278-Y280 PolarHBondContact O-N 3.47Å; Y280-Y282 PolarHBondContact O-N 2.58Å; Y280-A283 WeakPolarHBondContact O-CB 3.27Å; Y280-A283 PolarHBondContact O-N 2.79Å; Y280-V284 HydrophobicContact CD1-CG2 4.15Å; Y280-V284 HydrophobicContact CE1-CG2 3.71Å; Y280-V284 HydrophobicContact CE2-CG2 4.4Å; Y280-V284 WeakPolarHBondContact O-CG2 3.35Å; Y280-V284 PolarHBondContact O-N 3.05Å
281	N	75.8	Confident	69.1	Low	107 Å²	107	85.7 Å²	85.7	57%	0.572	44%	0.444	S	S	*	.	H	α-helix	trans	-62.4	-32	178.1	-66.2	-19.9	0	0	0	111.8	S278 Y285	S278-N281 PolarHBondContact O-N 3.39Å; S278-N281 VanDerWaalsContact O-N 3.13Å; N281-Y285 VanDerWaalsContact O-CB 3.29Å; N281-Y285 WeakPolarHBondContact O-CB 3.45Å; N281-Y285 PolarHBondContact O-N 3Å
282	Y	77	Confident	67.7	Low	90 Å²	90	91.7 Å²	91.7	35%	0.353	48%	0.475	S	S	.	.	H	α-helix	trans	-69.2	-39	173.7	-176.4	-105	0	0	0	112.5	K267 A271 S278 V279 Y280 Y285 C286	K267-Y282 HydrophobicContact CB-CE1 4.06Å; K267-Y282 WeakPolarHBondContact O-CE1 3.5Å; A271-Y282 HydrophobicContact CB-CD1 3.44Å; A271-Y282 VanDerWaalsContact CB-CD1 3.44Å; A271-Y282 HydrophobicContact CB-CE1 3.63Å; A271-Y282 HydrophobicContact CB-CG 4.25Å; S278-Y282 PolarHBondContact O-N 2.81Å; S278-Y282 VanDerWaalsContact O-N 3.1Å; V279-Y282 WeakPolarHBondContact O-CB 3.3Å; V279-Y282 PolarHBondContact O-N 3.47Å; Y280-Y282 PolarHBondContact O-N 2.58Å; Y282-Y285 PolarHBondContact O-N 2.82Å; Y282-C286 VanDerWaalsContact CE1-SG 3.55Å; Y282-C286 VanDerWaalsContact CZ-SG 3.57Å; Y282-C286 WeakPolarHBondContact O-CB 3.32Å; Y282-C286 PolarHBondContact O-N 2.94Å; Y282-C286 PolarHBondContact O-SG 2.81Å
283	A	67.9	Low	66.8	Low	18 Å²	18	90.9 Å²	90.9	15%	0.149	47%	0.466	C	S	.	.	H	α-helix	trans	-61.5	-47.9	173.3	0	0	0	0	0	111.2	V268 V279 Y280 Y285 C286 L287	V268-A283 HydrophobicContact CG2-CB 3.39Å; V279-A283 PolarHBondContact O-N 2.87Å; Y280-A283 WeakPolarHBondContact O-CB 3.27Å; Y280-A283 PolarHBondContact O-N 2.79Å; A283-Y285 VanDerWaalsContact C-N 3.3Å; A283-Y285 PolarHBondContact O-N 3.1Å; A283-C286 PolarHBondContact O-N 3.26Å; A283-L287 PolarHBondContact O-N 2.82Å
284	V	75.1	Confident	65.6	Low	68 Å²	68	88.3 Å²	88.3	41%	0.412	46%	0.455	S	S	.	.	H	α-helix	trans	-59.7	-41.8	175.8	175.6	0	0	0	0	110.9	Y280 L287 S288	Y280-V284 HydrophobicContact CD1-CG2 4.15Å; Y280-V284 HydrophobicContact CE1-CG2 3.71Å; Y280-V284 HydrophobicContact CE2-CG2 4.4Å; Y280-V284 WeakPolarHBondContact O-CG2 3.35Å; Y280-V284 PolarHBondContact O-N 3.05Å; V284-L287 PolarHBondContact O-N 2.98Å; V284-S288 WeakPolarHBondContact O-CB 3.41Å; V284-S288 PolarHBondContact O-N 3.15Å
285	Y	75	Confident	64.5	Low	91 Å²	91	87.3 Å²	87.3	36%	0.357	44%	0.442	S	S	.	.	H	α-helix	trans	-65.3	-41.1	175.3	175.7	-103.7	0	0	0	112.7	N281 Y282 A283 L287 S288 L289	N281-Y285 VanDerWaalsContact O-CB 3.29Å; N281-Y285 WeakPolarHBondContact O-CB 3.45Å; N281-Y285 PolarHBondContact O-N 3Å; Y282-Y285 PolarHBondContact O-N 2.82Å; A283-Y285 VanDerWaalsContact C-N 3.3Å; A283-Y285 PolarHBondContact O-N 3.1Å; Y285-L287 VanDerWaalsContact C-N 3.34Å; Y285-S288 WeakPolarHBondContact CA-OG 3.43Å; Y285-S288 PolarHBondContact O-N 3.17Å; Y285-S288 PolarHBondContact O-OG 2.82Å; Y285-L289 HydrophobicContact CD1-CD1 3.98Å; Y285-L289 HydrophobicContact CD1-CG 4.48Å; Y285-L289 HydrophobicContact CE1-CD1 3.39Å; Y285-L289 HydrophobicContact CE1-CG 4.05Å; Y285-L289 HydrophobicContact CE2-CD1 4.48Å; Y285-L289 HydrophobicContact CE2-CD2 4.37Å; Y285-L289 HydrophobicContact CE2-CG 4.29Å; Y285-L289 WeakPolarHBondContact O-CG 3.49Å; Y285-L289 PolarHBondContact O-N 2.82Å
286	C	70.2	Confident	64.1	Low	1 Å²	1	84.5 Å²	84.5	1%	0.007	43%	0.43	C	S	.	.	H	α-helix	trans	-63.2	-43.8	175	-69.6	0	0	0	0	110.7	V264 K267 Y282 A283 S288 L289 Y290	V264-C286 HydrophobicContact CG1-CB 4.32Å; V264-C286 HydrophobicContact CG2-CB 4.22Å; K267-C286 HydrophobicContact CD-CB 4.47Å; Y282-C286 VanDerWaalsContact CE1-SG 3.55Å; Y282-C286 VanDerWaalsContact CZ-SG 3.57Å; Y282-C286 WeakPolarHBondContact O-CB 3.32Å; Y282-C286 PolarHBondContact O-N 2.94Å; Y282-C286 PolarHBondContact O-SG 2.81Å; A283-C286 PolarHBondContact O-N 3.26Å; C286-S288 VanDerWaalsContact C-N 3.34Å; C286-S288 PolarHBondContact O-N 2.78Å; C286-L289 PolarHBondContact O-N 2.89Å; C286-Y290 VanDerWaalsContact O-CD2 3.23Å; C286-Y290 WeakPolarHBondContact O-CD2 2.68Å; C286-Y290 PolarHBondContact O-N 3Å
287	L	67.5	Low	63.4	Low	64 Å²	64	82.2 Å²	82.2	34%	0.335	42%	0.423	S	S	.	.	H	α-helix	trans	-59.4	-45.1	172.2	-75.2	164.1	0	0	0	110.7	L261 V264 A283 V284 Y285 L289 Y290 A291	L261-L287 HydrophobicContact CD2-CD2 4.47Å; V264-L287 HydrophobicContact CB-CD2 4.46Å; V264-L287 HydrophobicContact CG1-CD2 4.33Å; V264-L287 HydrophobicContact CG1-CG 3.99Å; V264-L287 HydrophobicContact CG2-CD2 3.82Å; V264-L287 HydrophobicContact CG2-CG 4.04Å; A283-L287 PolarHBondContact O-N 2.82Å; V284-L287 PolarHBondContact O-N 2.98Å; Y285-L287 VanDerWaalsContact C-N 3.34Å; L287-L289 PolarHBondContact O-N 2.91Å; L287-Y290 PolarHBondContact O-N 3.28Å; L287-Y290 VanDerWaalsContact O-N 3.11Å; L287-A291 WeakPolarHBondContact O-CA 3.44Å; L287-A291 WeakPolarHBondContact O-CB 3.48Å; L287-A291 PolarHBondContact O-N 2.71Å
288	S	68	Low	63	Low	66 Å²	66	77.9 Å²	77.9	46%	0.462	41%	0.409	S	S	.	.	H	α-helix	trans	-66.5	-20.6	179.9	77.5	0	0	0	0	114	V284 Y285 C286	V284-S288 WeakPolarHBondContact O-CB 3.41Å; V284-S288 PolarHBondContact O-N 3.15Å; Y285-S288 WeakPolarHBondContact CA-OG 3.43Å; Y285-S288 PolarHBondContact O-N 3.17Å; Y285-S288 PolarHBondContact O-OG 2.82Å; C286-S288 VanDerWaalsContact C-N 3.34Å; C286-S288 PolarHBondContact O-N 2.78Å
289	L	64.3	Low	61.9	Low	96 Å²	96	78 Å²	78	50%	0.503	40%	0.4	S	S	.	.	H	α-helix	trans	-78	-24.8	174.8	-76	175.5	0	0	0	113.5	Y285 C286 L287	Y285-L289 HydrophobicContact CD1-CD1 3.98Å; Y285-L289 HydrophobicContact CD1-CG 4.48Å; Y285-L289 HydrophobicContact CE1-CD1 3.39Å; Y285-L289 HydrophobicContact CE1-CG 4.05Å; Y285-L289 HydrophobicContact CE2-CD1 4.48Å; Y285-L289 HydrophobicContact CE2-CD2 4.37Å; Y285-L289 HydrophobicContact CE2-CG 4.29Å; Y285-L289 WeakPolarHBondContact O-CG 3.49Å; Y285-L289 PolarHBondContact O-N 2.82Å; C286-L289 PolarHBondContact O-N 2.89Å; L287-L289 PolarHBondContact O-N 2.91Å
290	Y	60	Low	60.5	Low	109 Å²	109	82.5 Å²	82.5	43%	0.427	42%	0.424	S	S	.	.	H	α-helix	trans	-125.1	-10.7	-172.7	-68.7	-75.4	0	0	0	114.3	L260 K267 C286 L287 N292	L260-Y290 HydrophobicContact CD1-CD1 4.43Å; L260-Y290 HydrophobicContact CD1-CD2 4.05Å; L260-Y290 HydrophobicContact CD1-CG 3.68Å; L260-Y290 WeakPolarHBondContact CD2-O 3.31Å; K267-Y290 VanDerWaalsContact NZ-CE2 3.34Å; K267-Y290 PolarHBondContact NZ-OH 2.82Å; C286-Y290 VanDerWaalsContact O-CD2 3.23Å; C286-Y290 WeakPolarHBondContact O-CD2 2.68Å; C286-Y290 PolarHBondContact O-N 3Å; L287-Y290 PolarHBondContact O-N 3.28Å; L287-Y290 VanDerWaalsContact O-N 3.11Å; Y290-N292 VanDerWaalsContact C-N 3.25Å; Y290-N292 PolarHBondContact O-N 3.44Å
291	A	51.7	Low	59.3	Low	27 Å²	27	77.6 Å²	77.6	22%	0.223	41%	0.412	C	S	.	.			trans	-65.9	93.8	172.6	0	0	0	0	0	107	L287 F293	L287-A291 WeakPolarHBondContact O-CA 3.44Å; L287-A291 WeakPolarHBondContact O-CB 3.48Å; L287-A291 PolarHBondContact O-N 2.71Å; A291-F293 HydrophobicContact CB-CD1 4.08Å; A291-F293 HydrophobicContact CB-CD2 3.73Å; A291-F293 HydrophobicContact CB-CE1 3.99Å; A291-F293 HydrophobicContact CB-CE2 3.61Å; A291-F293 HydrophobicContact CB-CG 3.97Å; A291-F293 HydrophobicContact CB-CZ 3.76Å; A291-F293 WeakPolarHBondContact O-CD2 3.39Å; A291-F293 PolarHBondContact O-N 2.75Å
292	N	48.3	Very low	57.7	Low	134 Å²	134	74.4 Å²	74.4	72%	0.717	41%	0.405	S	S	*	.			trans	-59.5	81.3	139.7	-72.5	-23.6	0	0	0	105.4	Y290 F294	Y290-N292 VanDerWaalsContact C-N 3.25Å; Y290-N292 PolarHBondContact O-N 3.44Å; N292-F294 VanDerWaalsContact C-N 3.35Å; N292-F294 WeakPolarHBondContact O-CD2 3.12Å; N292-F294 PolarHBondContact O-N 3.1Å
293	F	54.7	Low	56.7	Low	99 Å²	99	74 Å²	74	43%	0.434	41%	0.411	S	S	.	.			trans	-54.6	107.8	165.1	-72	-72.5	0	0	0	105.4	A291 L295 F299 V331	A291-F293 HydrophobicContact CB-CD1 4.08Å; A291-F293 HydrophobicContact CB-CD2 3.73Å; A291-F293 HydrophobicContact CB-CE1 3.99Å; A291-F293 HydrophobicContact CB-CE2 3.61Å; A291-F293 HydrophobicContact CB-CG 3.97Å; A291-F293 HydrophobicContact CB-CZ 3.76Å; A291-F293 WeakPolarHBondContact O-CD2 3.39Å; A291-F293 PolarHBondContact O-N 2.75Å; F293-L295 PolarHBondContact O-N 3.49Å; F293-F299 HydrophobicContact CD1-CD2 4.46Å; F293-F299 AromaticContact CD1-CE2 3.47Å; F293-F299 HydrophobicContact CD1-CE2 3.47Å; F293-F299 VanDerWaalsContact CD1-CE2 3.47Å; F293-F299 AromaticContact CD1-CZ 3.62Å; F293-F299 HydrophobicContact CD1-CZ 3.62Å; F293-F299 AromaticContact CE1-CE2 3.82Å; F293-F299 HydrophobicContact CE1-CE2 3.82Å; F293-F299 AromaticContact CE1-CZ 3.79Å; F293-F299 HydrophobicContact CE1-CZ 3.79Å; F293-V331 HydrophobicContact CB-CB 4.36Å; F293-V331 HydrophobicContact CB-CG1 3.6Å; F293-V331 HydrophobicContact CB-CG2 3.92Å; F293-V331 HydrophobicContact CD1-CG2 4.21Å; F293-V331 HydrophobicContact CG-CG2 4.33Å
294	F	49	Very low	55.8	Low	77 Å²	77	75 Å²	75	34%	0.338	42%	0.424	S	S	.	.			trans	-64	139	-178.2	-64.1	-91.7	0	0	0	108.1	I257 N292 G296 M297	I257-F294 HydrophobicContact CD1-CE2 3.63Å; I257-F294 HydrophobicContact CD1-CZ 3.93Å; I257-F294 HydrophobicContact CG1-CE2 3.81Å; I257-F294 HydrophobicContact CG1-CZ 4.04Å; N292-F294 VanDerWaalsContact C-N 3.35Å; N292-F294 WeakPolarHBondContact O-CD2 3.12Å; N292-F294 PolarHBondContact O-N 3.1Å; F294-G296 PolarHBondContact O-N 3.06Å; F294-M297 HydrophobicContact CB-CE 4.4Å; F294-M297 HydrophobicContact CB-CG 3.96Å; F294-M297 HydrophobicContact CB-SD 4.03Å; F294-M297 HydrophobicContact CD2-CE 3.48Å; F294-M297 VanDerWaalsContact CD2-CE 3.48Å; F294-M297 HydrophobicContact CD2-SD 3.79Å; F294-M297 HydrophobicContact CE2-CE 4.2Å; F294-M297 HydrophobicContact CG-CE 4.37Å; F294-M297 HydrophobicContact CG-SD 4.42Å; F294-M297 PolarHBondContact N-SD 2.78Å; F294-M297 WeakPolarHBondContact O-CB 3.5Å; F294-M297 WeakPolarHBondContact O-CG 3.43Å; F294-M297 PolarHBondContact O-N 3.18Å
295	L	44.4	Very low	55.2	Low	103 Å²	103	77.6 Å²	77.6	54%	0.539	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	124.5	173.4	-150.9	81.3	0	0	0	108.9	F293 K333	F293-L295 PolarHBondContact O-N 3.49Å; L295-K333 HydrophobicContact CD1-CB 3.66Å; L295-K333 HydrophobicContact CD1-CD 3.97Å; L295-K333 HydrophobicContact CD1-CG 3.45Å; L295-K333 VanDerWaalsContact CD1-CG 3.45Å; L295-K333 VanDerWaalsContact CD1-N 3.33Å; L295-K333 HydrophobicContact CD2-CB 4.35Å; L295-K333 HydrophobicContact CD2-CD 3.76Å; L295-K333 HydrophobicContact CD2-CG 4.17Å; L295-K333 HydrophobicContact CG-CG 4.47Å
296	G	55.2	Low	54.7	Low	49 Å²	49	77.2 Å²	77.2	51%	0.505	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	98	-6.3	-177.6	0	0	0	0	0	115.4	F294 V298 V331	F294-G296 PolarHBondContact O-N 3.06Å; G296-V298 PolarHBondContact O-N 3.27Å; G296-V331 PolarHBondContact N-O 3.45Å
297	M	51.7	Low	54.5	Low	70 Å²	70	79.6 Å²	79.6	35%	0.345	47%	0.47	S	S	.	.			trans	-63.7	132.7	175.3	-79	-175.5	147.7	0	0	111.6	F294 F299 L330 V331	F294-M297 HydrophobicContact CB-CE 4.4Å; F294-M297 HydrophobicContact CB-CG 3.96Å; F294-M297 HydrophobicContact CB-SD 4.03Å; F294-M297 HydrophobicContact CD2-CE 3.48Å; F294-M297 VanDerWaalsContact CD2-CE 3.48Å; F294-M297 HydrophobicContact CD2-SD 3.79Å; F294-M297 HydrophobicContact CE2-CE 4.2Å; F294-M297 HydrophobicContact CG-CE 4.37Å; F294-M297 HydrophobicContact CG-SD 4.42Å; F294-M297 PolarHBondContact N-SD 2.78Å; F294-M297 WeakPolarHBondContact O-CB 3.5Å; F294-M297 WeakPolarHBondContact O-CG 3.43Å; F294-M297 PolarHBondContact O-N 3.18Å; M297-F299 HydrophobicContact CB-CD2 4.34Å; M297-F299 HydrophobicContact CB-CE2 3.59Å; M297-F299 HydrophobicContact CB-CZ 4.08Å; M297-F299 HydrophobicContact CG-CE2 4.45Å; M297-F299 HydrophobicContact SD-CE2 4.15Å; M297-F299 HydrophobicContact SD-CZ 3.78Å; M297-L330 CarbonylContact O-C 3.4Å; M297-L330 WeakPolarHBondContact O-CA 3.4Å; M297-V331 HydrophobicContact CB-CB 4.24Å; M297-V331 HydrophobicContact CB-CG2 4Å; M297-V331 WeakPolarHBondContact O-CG2 3.4Å; M297-V331 PolarHBondContact O-N 2.86Å
298	V	50.2	Low	54.6	Low	93 Å²	93	79.8 Å²	79.8	56%	0.564	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.6	175.2	-179.8	0	0	0	0	108.4	G296 T328 V329 L330	G296-V298 PolarHBondContact O-N 3.27Å; V298-T328 HydrophobicContact CG1-CG2 3.23Å; V298-V329 CarbonylContact C-O 3.57Å; V298-V329 WeakPolarHBondContact CA-O 3.09Å; V298-L330 HydrophobicContact CG2-CB 4.47Å; V298-L330 HydrophobicContact CG2-CD1 3.55Å
299	F	48	Very low	54.8	Low	73 Å²	73	82.2 Å²	82.2	32%	0.32	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.9	176.5	-67.2	-83.4	0	0	0	110.4	F293 M297 V301 T328 V329 V331	F293-F299 HydrophobicContact CD1-CD2 4.46Å; F293-F299 AromaticContact CD1-CE2 3.47Å; F293-F299 HydrophobicContact CD1-CE2 3.47Å; F293-F299 VanDerWaalsContact CD1-CE2 3.47Å; F293-F299 AromaticContact CD1-CZ 3.62Å; F293-F299 HydrophobicContact CD1-CZ 3.62Å; F293-F299 AromaticContact CE1-CE2 3.82Å; F293-F299 HydrophobicContact CE1-CE2 3.82Å; F293-F299 AromaticContact CE1-CZ 3.79Å; F293-F299 HydrophobicContact CE1-CZ 3.79Å; M297-F299 HydrophobicContact CB-CD2 4.34Å; M297-F299 HydrophobicContact CB-CE2 3.59Å; M297-F299 HydrophobicContact CB-CZ 4.08Å; M297-F299 HydrophobicContact CG-CE2 4.45Å; M297-F299 HydrophobicContact SD-CE2 4.15Å; M297-F299 HydrophobicContact SD-CZ 3.78Å; F299-V301 HydrophobicContact CB-CG2 4.03Å; F299-T328 CarbonylContact O-C 3.4Å; F299-T328 VanDerWaalsContact O-CA 3.26Å; F299-T328 WeakPolarHBondContact O-CA 3.43Å; F299-V329 HydrophobicContact CB-CB 4.39Å; F299-V329 PolarHBondContact N-O 2.81Å; F299-V329 PolarHBondContact O-N 3.2Å; F299-V331 HydrophobicContact CD2-CG2 3.94Å; F299-V331 HydrophobicContact CE2-CG2 3.66Å
300	N	44.6	Very low	55.2	Low	119 Å²	119	80.2 Å²	80.2	64%	0.636	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	107.3	166.3	-148	-36.3	0	0	0	107.9	D327	N300-D327 CarbonylContact C-O 3.58Å; N300-D327 WeakPolarHBondContact CA-O 3.45Å
301	V	47.1	Very low	55.7	Low	76 Å²	76	82.1 Å²	82.1	46%	0.461	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	100.9	-173.2	-177.8	0	0	0	0	108.5	F299 A326 D327 V329	F299-V301 HydrophobicContact CB-CG2 4.03Å; V301-A326 CarbonylContact O-C 3.6Å; V301-A326 VanDerWaalsContact O-CA 3.24Å; V301-A326 WeakPolarHBondContact O-CA 3.47Å; V301-D327 PolarHBondContact N-O 3Å; V301-D327 PolarHBondContact O-N 2.8Å; V301-V329 HydrophobicContact CG2-CG2 4.15Å
302	G	42.8	Very low	56.6	Low	40 Å²	40	84.9 Å²	84.9	41%	0.412	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.1	178.3	0	0	0	0	0	113.3	I325	G302-I325 CarbonylContact C-O 3.53Å; G302-I325 VanDerWaalsContact CA-O 3.25Å; G302-I325 WeakPolarHBondContact CA-O 3.49Å
303	V	54.7	Low	57.2	Low	80 Å²	80	79.5 Å²	79.5	49%	0.485	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.4	169.3	-179.6	0	0	0	0	108.4	F305 I325	V303-F305 HydrophobicContact CG1-CE1 4.27Å; V303-F305 HydrophobicContact CG1-CZ 4.31Å; V303-I325 PolarHBondContact N-O 3.03Å; V303-I325 PolarHBondContact O-N 3.21Å
304	G	49.3	Very low	57.4	Low	41 Å²	41	81.6 Å²	81.6	42%	0.423	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158.6	173.5	0	0	0	0	0	113.7	L323	G304-L323 CarbonylContact C-O 3.48Å; G304-L323 WeakPolarHBondContact CA-O 3.4Å
305	F	61.8	Low	57.8	Low	121 Å²	121	84.3 Å²	84.3	53%	0.531	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.4	171.4	-27	-75.2	0	0	0	107	V303 V308 S322 L323	V303-F305 HydrophobicContact CG1-CE1 4.27Å; V303-F305 HydrophobicContact CG1-CZ 4.31Å; F305-V308 HydrophobicContact CB-CG2 4.08Å; F305-S322 CarbonylContact O-C 3.5Å; F305-S322 VanDerWaalsContact O-CA 3.29Å; F305-S322 WeakPolarHBondContact O-CA 3.31Å; F305-L323 HydrophobicContact CD2-CB 4.46Å; F305-L323 PolarHBondContact N-O 3.24Å; F305-L323 PolarHBondContact O-N 3.1Å
306	A	65.1	Low	58.6	Low	84 Å²	84	84.4 Å²	84.4	69%	0.694	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	149.6	172.1	0	0	0	0	0	109.4	S322	A306-S322 WeakPolarHBondContact CA-OG 3.47Å
307	G	66.8	Low	58.7	Low	51 Å²	51	89.6 Å²	89.6	53%	0.526	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	79	33.6	173.8	0	0	0	0	0	115.1	I321	G307-I321 PolarHBondContact N-O 3.02Å
308	V	69.6	Low	59	Low	67 Å²	67	87.5 Å²	87.5	41%	0.406	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	120	176	-176.9	0	0	0	0	109.7	F305 N310 T320 I321	F305-V308 HydrophobicContact CB-CG2 4.08Å; V308-N310 PolarHBondContact O-N 3.47Å; V308-T320 CarbonylContact O-C 3.56Å; V308-T320 WeakPolarHBondContact O-CA 3.28Å; V308-I321 PolarHBondContact N-O 3.09Å; V308-I321 PolarHBondContact O-N 2.99Å
309	D	72.1	Confident	59.7	Low	118 Å²	118	89.1 Å²	89.1	63%	0.631	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	117.1	174.7	-73.5	-27	0	0	0	111.1	V311 K319	D309-V311 PolarHBondContact O-N 3.28Å; D309-K319 CarbonylContact C-O 3.6Å; D309-K319 VanDerWaalsContact CA-O 3.26Å; D309-K319 WeakPolarHBondContact CA-O 3.28Å
310	N	72.6	Confident	60.4	Low	54 Å²	54	90 Å²	90	29%	0.289	56%	0.559	S	S	.	*			trans	-81.2	92.7	174.4	-179.9	14.6	0	0	0	110.2	V308 A312 G313 G318 K319 I321	V308-N310 PolarHBondContact O-N 3.47Å; N310-A312 PolarHBondContact O-N 3.36Å; N310-A312 PolarHBondContact OD1-N 2.96Å; N310-G313 PolarHBondContact O-N 3.11Å; N310-G318 WeakPolarHBondContact CB-O 3.41Å; N310-G318 PolarHBondContact ND2-O 3.45Å; N310-G318 VanDerWaalsContact ND2-O 3.16Å; N310-K319 PolarHBondContact N-O 3.41Å; N310-I321 HydrophobicContact CB-CD1 3.53Å; N310-I321 HydrophobicContact CB-CG1 3.87Å
311	V	70.7	Confident	61.4	Low	148 Å²	148	87.3 Å²	87.3	90%	0.897	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.1	-177.3	-152	0	0	0	0	113.4	D309	D309-V311 PolarHBondContact O-N 3.28Å
312	A	69.4	Low	62	Low	86 Å²	86	87.5 Å²	87.5	71%	0.711	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-6.5	178.4	0	0	0	0	0	114.3	N310 T314	N310-A312 PolarHBondContact O-N 3.36Å; N310-A312 PolarHBondContact OD1-N 2.96Å; A312-T314 PolarHBondContact O-N 3.29Å
313	G	61.3	Low	62.7	Low	21 Å²	21	90.3 Å²	90.3	22%	0.216	55%	0.554	C	S	.	*			trans	-75.9	110.4	-177.8	0	0	0	0	0	112.6	N310 E315	N310-G313 PolarHBondContact O-N 3.11Å; G313-E315 VanDerWaalsContact C-N 3.33Å
314	T	58.1	Low	62.7	Low	142 Å²	142	93.7 Å²	93.7	87%	0.871	56%	0.563	S	S	*	*			trans	-75.7	-19.9	175.8	43.3	0	0	0	0	113.4	A312	A312-T314 PolarHBondContact O-N 3.29Å
315	E	59.1	Low	62.6	Low	135 Å²	135	94.9 Å²	94.9	63%	0.631	56%	0.558	S	S	*	*	S	Bend	trans	-106.8	146.2	-177.8	-65.9	-179.4	178.8	0	0	111.7	G313 I317 G318	G313-E315 VanDerWaalsContact C-N 3.33Å; E315-I317 PolarHBondContact O-N 3.38Å; E315-I317 VanDerWaalsContact O-N 3.12Å; E315-G318 PolarHBondContact O-N 3.06Å; E315-G318 VanDerWaalsContact O-N 3.16Å
316	S	59.3	Low	61.6	Low	105 Å²	105	91.2 Å²	91.2	73%	0.734	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-56.7	-27.4	179.7	48.9	0	0	0	0	113.4	G318	S316-G318 VanDerWaalsContact C-N 3.28Å; S316-G318 PolarHBondContact O-N 3.23Å
317	I	57.7	Low	60.9	Low	157 Å²	157	91 Å²	91	81%	0.805	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-75.2	-14.8	-176	-65.7	165.2	0	0	0	112.5	E315	E315-I317 PolarHBondContact O-N 3.38Å; E315-I317 VanDerWaalsContact O-N 3.12Å
318	G	58.9	Low	60.3	Low	27 Å²	27	93.1 Å²	93.1	28%	0.278	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-115.5	4.1	-175.6	0	0	0	0	0	115.8	N310 E315 S316 T320	N310-G318 WeakPolarHBondContact CB-O 3.41Å; N310-G318 PolarHBondContact ND2-O 3.45Å; N310-G318 VanDerWaalsContact ND2-O 3.16Å; E315-G318 PolarHBondContact O-N 3.06Å; E315-G318 VanDerWaalsContact O-N 3.16Å; S316-G318 VanDerWaalsContact C-N 3.28Å; S316-G318 PolarHBondContact O-N 3.23Å; G318-T320 PolarHBondContact O-N 3.45Å
319	K	65.3	Low	59.3	Low	127 Å²	127	93.2 Å²	93.2	55%	0.552	54%	0.541	S	S	*	.	S	Bend	trans	-70.3	-27	-171.1	-92.6	-175.5	177.3	178	0	114.6	D309 N310	D309-K319 CarbonylContact C-O 3.6Å; D309-K319 VanDerWaalsContact CA-O 3.26Å; D309-K319 WeakPolarHBondContact CA-O 3.28Å; N310-K319 PolarHBondContact N-O 3.41Å
320	T	61.9	Low	58.5	Low	90 Å²	90	93.1 Å²	93.1	55%	0.552	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.8	-179.1	-48.1	0	0	0	0	108.8	V308 G318	V308-T320 CarbonylContact O-C 3.56Å; V308-T320 WeakPolarHBondContact O-CA 3.28Å; G318-T320 PolarHBondContact O-N 3.45Å
321	I	65	Low	57.9	Low	63 Å²	63	92 Å²	92	32%	0.323	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.6	-177.5	-59.2	177.8	0	0	0	108.8	G307 V308 N310 L323	G307-I321 PolarHBondContact N-O 3.02Å; V308-I321 PolarHBondContact N-O 3.09Å; V308-I321 PolarHBondContact O-N 2.99Å; N310-I321 HydrophobicContact CB-CD1 3.53Å; N310-I321 HydrophobicContact CB-CG1 3.87Å; I321-L323 HydrophobicContact CG2-CD2 4.13Å; I321-L323 HydrophobicContact CG2-CG 3.97Å
322	S	61.3	Low	57.3	Low	80 Å²	80	87.4 Å²	87.4	56%	0.559	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.9	163.7	-57.6	0	0	0	0	108.5	F305 A306	F305-S322 CarbonylContact O-C 3.5Å; F305-S322 VanDerWaalsContact O-CA 3.29Å; F305-S322 WeakPolarHBondContact O-CA 3.31Å; A306-S322 WeakPolarHBondContact CA-OG 3.47Å
323	L	56.1	Low	56.1	Low	100 Å²	100	90.8 Å²	90.8	52%	0.524	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.2	178.1	-68.5	168.1	0	0	0	107.9	G304 F305 I321	G304-L323 CarbonylContact C-O 3.48Å; G304-L323 WeakPolarHBondContact CA-O 3.4Å; F305-L323 HydrophobicContact CD2-CB 4.46Å; F305-L323 PolarHBondContact N-O 3.24Å; F305-L323 PolarHBondContact O-N 3.1Å; I321-L323 HydrophobicContact CG2-CD2 4.13Å; I321-L323 HydrophobicContact CG2-CG 3.97Å
324	F	55.7	Low	55.4	Low	151 Å²	151	98 Å²	98	66%	0.662	55%	0.55	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.4	175	178.7	-106.4	0	0	0	108.1	A326	F324-A326 HydrophobicContact CD1-CB 4.39Å; F324-A326 HydrophobicContact CE1-CB 3.56Å; F324-A326 HydrophobicContact CZ-CB 3.83Å
325	I	46	Very low	54.6	Low	65 Å²	65	98.1 Å²	98.1	33%	0.333	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.2	177.5	-62.6	153.3	0	0	0	105.5	G302 V303 L354	G302-I325 CarbonylContact C-O 3.53Å; G302-I325 VanDerWaalsContact CA-O 3.25Å; G302-I325 WeakPolarHBondContact CA-O 3.49Å; V303-I325 PolarHBondContact N-O 3.03Å; V303-I325 PolarHBondContact O-N 3.21Å; I325-L354 HydrophobicContact CD1-CD1 3.88Å; I325-L354 HydrophobicContact CD1-CD2 3.48Å; I325-L354 VanDerWaalsContact CD1-CD2 3.48Å; I325-L354 HydrophobicContact CD1-CG 4.22Å; I325-L354 HydrophobicContact CG1-CD2 3.87Å; I325-L354 HydrophobicContact CG2-CD2 4.48Å
326	A	42.2	Very low	53.6	Low	44 Å²	44	94.8 Å²	94.8	36%	0.364	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.8	171.4	0	0	0	0	0	109.2	V301 F324	V301-A326 CarbonylContact O-C 3.6Å; V301-A326 VanDerWaalsContact O-CA 3.24Å; V301-A326 WeakPolarHBondContact O-CA 3.47Å; F324-A326 HydrophobicContact CD1-CB 4.39Å; F324-A326 HydrophobicContact CE1-CB 3.56Å; F324-A326 HydrophobicContact CZ-CB 3.83Å
327	D	50.2	Low	52.5	Low	80 Å²	80	98.2 Å²	98.2	43%	0.428	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.7	141.6	175.2	-84	-31.9	0	0	0	110.7	N300 V301	N300-D327 CarbonylContact C-O 3.58Å; N300-D327 WeakPolarHBondContact CA-O 3.45Å; V301-D327 PolarHBondContact N-O 3Å; V301-D327 PolarHBondContact O-N 2.8Å
328	T	53.5	Low	51.3	Low	96 Å²	96	94.3 Å²	94.3	59%	0.589	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.3	116.5	171.7	-56.6	0	0	0	0	109	V298 F299	V298-T328 HydrophobicContact CG1-CG2 3.23Å; F299-T328 CarbonylContact O-C 3.4Å; F299-T328 VanDerWaalsContact O-CA 3.26Å; F299-T328 WeakPolarHBondContact O-CA 3.43Å
329	V	49.1	Very low	49.9	Very low	69 Å²	69	102 Å²	102	42%	0.418	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.2	111.4	-175.8	-176.5	0	0	0	0	109.3	V298 F299 V301	V298-V329 CarbonylContact C-O 3.57Å; V298-V329 WeakPolarHBondContact CA-O 3.09Å; F299-V329 HydrophobicContact CB-CB 4.39Å; F299-V329 PolarHBondContact N-O 2.81Å; F299-V329 PolarHBondContact O-N 3.2Å; V301-V329 HydrophobicContact CG2-CG2 4.15Å
330	L	55.7	Low	48.4	Very low	116 Å²	116	104.8 Å²	104.8	61%	0.607	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.6	127.9	169.1	176.5	70.2	0	0	0	110	M297 V298 G332	M297-L330 CarbonylContact O-C 3.4Å; M297-L330 WeakPolarHBondContact O-CA 3.4Å; V298-L330 HydrophobicContact CG2-CB 4.47Å; V298-L330 HydrophobicContact CG2-CD1 3.55Å; L330-G332 PolarHBondContact O-N 3.46Å
331	V	59.2	Low	47	Very low	29 Å²	29	106.4 Å²	106.4	18%	0.176	61%	0.605	C	S	.	*			trans	-81.4	102.8	172.5	179.7	0	0	0	0	109	F293 G296 M297 F299	F293-V331 HydrophobicContact CB-CB 4.36Å; F293-V331 HydrophobicContact CB-CG1 3.6Å; F293-V331 HydrophobicContact CB-CG2 3.92Å; F293-V331 HydrophobicContact CD1-CG2 4.21Å; F293-V331 HydrophobicContact CG-CG2 4.33Å; G296-V331 PolarHBondContact N-O 3.45Å; M297-V331 HydrophobicContact CB-CB 4.24Å; M297-V331 HydrophobicContact CB-CG2 4Å; M297-V331 WeakPolarHBondContact O-CG2 3.4Å; M297-V331 PolarHBondContact O-N 2.86Å; F299-V331 HydrophobicContact CD2-CG2 3.94Å; F299-V331 HydrophobicContact CE2-CG2 3.66Å
332	G	58	Low	45.3	Very low	53 Å²	53	109.5 Å²	109.5	55%	0.546	62%	0.621	S	S	.	*			trans	-108.2	165.7	176.5	0	0	0	0	0	113.8	L330	L330-G332 PolarHBondContact O-N 3.46Å
333	K	43.8	Very low	43.9	Very low	157 Å²	157	113 Å²	113	68%	0.683	63%	0.628	S	S	*	*			trans	-79.8	122.2	174.1	-117.1	164	-164.5	-179.6	0	107.8	L295 N335	L295-K333 HydrophobicContact CD1-CB 3.66Å; L295-K333 HydrophobicContact CD1-CD 3.97Å; L295-K333 HydrophobicContact CD1-CG 3.45Å; L295-K333 VanDerWaalsContact CD1-CG 3.45Å; L295-K333 VanDerWaalsContact CD1-N 3.33Å; L295-K333 HydrophobicContact CD2-CB 4.35Å; L295-K333 HydrophobicContact CD2-CD 3.76Å; L295-K333 HydrophobicContact CD2-CG 4.17Å; L295-K333 HydrophobicContact CG-CG 4.47Å; K333-N335 VanDerWaalsContact C-N 3.33Å; K333-N335 PolarHBondContact O-N 2.95Å
334	L	47.8	Very low	42.7	Very low	173 Å²	173	116.8 Å²	116.8	91%	0.906	64%	0.64	S	S	*	*			trans	-76.8	86.4	171.5	-119.6	138.7	0	0	0	108.7	G336	L334-G336 PolarHBondContact O-N 3.3Å
335	N	40.2	Very low	41.6	Very low	144 Å²	144	118.5 Å²	118.5	77%	0.77	65%	0.65	S	S	*	*			trans	-82.4	109.8	170.9	-73.7	-10.6	0	0	0	109	K333	K333-N335 VanDerWaalsContact C-N 3.33Å; K333-N335 PolarHBondContact O-N 2.95Å
336	G	38.6	Very low	40.7	Very low	64 Å²	64	124.4 Å²	124.4	66%	0.66	67%	0.673	S	S	*	*			trans	92.3	82.2	156.7	0	0	0	0	0	116.9	L334	L334-G336 PolarHBondContact O-N 3.3Å
337	L	35.6	Very low	40.1	Very low	177 Å²	177	128.6 Å²	128.6	93%	0.927	69%	0.685	S	S	*	*			trans	-155.4	116.6	137.6	-103.2	136.2	0	0	0	108.4
338	G	33.6	Very low	39.1	Very low	75 Å²	75	131.7 Å²	131.7	77%	0.773	71%	0.707	S	S	*	*			trans	-72.6	163.3	-159.9	0	0	0	0	0	116.1	K340	G338-K340 PolarHBondContact O-N 2.97Å
339	E	29.3	Very low	37.8	Very low	189 Å²	189	137 Å²	137	88%	0.883	72%	0.717	S	S	*	*			trans	-41.5	123.4	161.1	-66.7	169.5	132.2	0	0	111.7
340	K	34	Very low	36.9	Very low	185 Å²	185	136.7 Å²	136.7	80%	0.804	73%	0.729	S	S	*	*			trans	-178.4	133.1	130.9	-97.4	156.9	-170	-177	0	109.5	G338	G338-K340 PolarHBondContact O-N 2.97Å
341	T	32.5	Very low	35.6	Very low	125 Å²	125	140.8 Å²	140.8	77%	0.767	74%	0.741	S	S	*	*			trans	68.4	135.3	155.1	44.3	0	0	0	0	118.2
342	I	29.9	Very low	33.9	Very low	128 Å²	128	146.6 Å²	146.6	66%	0.656	77%	0.771	S	S	*	*			cis	-170.1	132.9	-10.9	-114.8	166	0	0	0	103.7
343	Q	31.6	Very low	32.5	Very low	153 Å²	153	153.8 Å²	153.8	72%	0.715	79%	0.787	S	S	*	*			trans	60.1	118.4	144.9	-58.6	175.8	10.9	0	0	122
344	K	30.4	Very low	31.6	Very low	179 Å²	179	151.8 Å²	151.8	78%	0.778	78%	0.784	S	S	*	*			trans	58.5	93.5	134.9	-62.8	178.6	179.1	176.9	0	116.8
345	H	31.7	Very low	30.8	Very low	188 Å²	188	148.6 Å²	148.6	87%	0.87	77%	0.773	S	S	*	*				-174	147.8	114.5	-91.5	-69.9	0	0	0	109.1
346	K	27.7	Very low	30.1	Very low	188 Å²	188	146 Å²	146	82%	0.817	77%	0.766	S	S	*	*	S	Bend	trans	-50.6	141.7	-173.4	-74	165.7	168	176.2	0	115
347	H	30.2	Very low	29.6	Very low	133 Å²	133	149.3 Å²	149.3	62%	0.616	77%	0.767	S	S	*	*			trans	59	94.5	161.3	-61.5	-69.4	0	0	0	118	Y349	H347-Y349 PolarHBondContact O-N 3.41Å
348	V	28.6	Very low	29.1	Very low	145 Å²	145	150.1 Å²	150.1	88%	0.879	76%	0.764	S	S	*	*			trans	-82.5	95	164.5	-179.3	0	0	0	0	109
349	Y	27.1	Very low	28.6	Very low	206 Å²	206	150.4 Å²	150.4	81%	0.808	76%	0.759	S	S	*	*			trans	-86.9	129.6	145.9	-77.3	-90.5	0	0	0	106.8	H347	H347-Y349 PolarHBondContact O-N 3.41Å
350	G	28.7	Very low	28.5	Very low	64 Å²	64	152.5 Å²	152.5	66%	0.66	76%	0.76	S	S	*	*			trans	-154.5	91.4	-174.6	0	0	0	0	0	114.7
351	K	28.4	Very low	27.8	Very low	201 Å²	201	151.7 Å²	151.7	87%	0.874	76%	0.764	S	S	*	*			trans	62.1	105.5	150.2	-76.8	178.1	170.4	177.8	0	119.5
352	L	23.9	Very low	27.5	Very low	151 Å²	151	155.1 Å²	155.1	79%	0.791	77%	0.768	S	S	*	*			trans	-112.9	131.4	145.7	-123.5	86.6	0	0	0	108.7
353	F	29.1	Very low	27.1	Very low	204 Å²	204	156.9 Å²	156.9	90%	0.895	78%	0.778	S	S	*	*			trans	-120.4	122	172.1	-130.5	-92.9	0	0	0	106.7
354	L	25.8	Very low	26.8	Very low	116 Å²	116	153.1 Å²	153.1	61%	0.607	77%	0.773	S	S	*	*			trans	-64.3	-177.2	173.2	-75.6	153	0	0	0	112.3	I325	I325-L354 HydrophobicContact CD1-CD1 3.88Å; I325-L354 HydrophobicContact CD1-CD2 3.48Å; I325-L354 VanDerWaalsContact CD1-CD2 3.48Å; I325-L354 HydrophobicContact CD1-CG 4.22Å; I325-L354 HydrophobicContact CG1-CD2 3.87Å; I325-L354 HydrophobicContact CG2-CD2 4.48Å
355	P	29.3	Very low	26.5	Very low	105 Å²	105	151.4 Å²	151.4	68%	0.682	77%	0.771	S	S	*	*			cis	-133.4	173.1	-10.5	20.5	5.3	0	0	0	112.6
356	S	26.6	Very low	26.4	Very low	90 Å²	90	152.1 Å²	152.1	63%	0.629	77%	0.773	S	S	*	*				159.8	127.6	95.4	-61.8	0	0	0	0	113
357	I	27.5	Very low	26.3	Very low	133 Å²	133	151.4 Å²	151.4	68%	0.682	77%	0.769	S	S	*	*				82.6	134.8	123.3	-64.3	173.3	0	0	0	122.7
358	F	26.3	Very low	26.4	Very low	195 Å²	195	153.4 Å²	153.4	86%	0.855	78%	0.779	S	S	*	*			trans	72.4	117.7	162.7	-68.9	-57	0	0	0	119.3
359	A	22.8	Very low	26.5	Very low	80 Å²	80	154 Å²	154	66%	0.661	77%	0.772	S	S	*	*				79.4	112.9	56.7	0	0	0	0	0	115.8
360	Y	25.9	Very low	26.5	Very low	234 Å²	234	152.3 Å²	152.3	92%	0.918	77%	0.771	S	S	*	*			trans	165	139.3	133.9	-112.3	-95.8	0	0	0	113.3
361	L	20.7	Very low	26.6	Very low	167 Å²	167	159 Å²	159	87%	0.874	79%	0.785	S	S	*	*			trans	-61.4	136.1	163.3	-106.8	92.5	0	0	0	111.3
362	K	25.1	Very low	26.7	Very low	197 Å²	197	157.6 Å²	157.6	86%	0.857	78%	0.782	S	S	*	*			trans	-164.8	119.3	151.6	-135	170.6	-177.8	178	0	114.3
363	L	22.3	Very low	27.1	Very low	166 Å²	166	158.3 Å²	158.3	87%	0.869	78%	0.781	S	S	*	*			trans	2.4	142.1	138.5	-85.2	148.9	0	0	0	119.8
364	A	25	Very low	27.4	Very low	74 Å²	74	153.9 Å²	153.9	61%	0.612	77%	0.773	S	S	*	*				114.6	123.7	124.9	0	0	0	0	0	119.1
365	L	23.8	Very low	27.6	Very low	142 Å²	142	156.3 Å²	156.3	74%	0.743	78%	0.782	S	S	*	*			trans	73	125.8	137.9	-66.8	160.9	0	0	0	118.9
366	F	29.9	Very low	28	Very low	204 Å²	204	161 Å²	161	90%	0.895	79%	0.794	S	S	*	*				-178.8	98.1	123.5	-80.1	-64.9	0	0	0	105.8
367	K	26.3	Very low	28.2	Very low	173 Å²	173	163.4 Å²	163.4	75%	0.752	80%	0.8	S	S	*	*				52	117.5	90.6	-91	-163.6	173.1	-162.5	0	115
368	E	31.2	Very low	28.7	Very low	174 Å²	174	165.4 Å²	165.4	81%	0.813	80%	0.804	S	S	*	*			trans	168.2	102.7	135.1	-90.2	166.9	-162.7	0	0	105.9
369	E	30.3	Very low	29.1	Very low	159 Å²	159	164 Å²	164	74%	0.743	80%	0.8	S	S	*	*				64.6	138.8	90.9	-72.9	174.6	-162.1	0	0	112.5
370	E	27.1	Very low	29.5	Very low	169 Å²	169	167.2 Å²	167.2	79%	0.79	81%	0.806	S	S	*	*			cis	-173.2	146.2	-18.9	-122.2	175.8	-159.4	0	0	102.5
371	E	31.9	Very low	30.1	Very low	204 Å²	204	163.8 Å²	163.8	95%	0.953	80%	0.802	S	S	*	*			trans	-170.9	105	149.2	-106.8	172.2	-156.9	0	0	110.3
372	E	30.2	Very low	30.8	Very low	172 Å²	172	161.9 Å²	161.9	80%	0.804	79%	0.793	S	S	*	*			trans	-80.6	149.6	169.2	-62.8	179	145.7	0	0	110.1
373	E	32.5	Very low	31.2	Very low	166 Å²	166	160 Å²	160	78%	0.776	79%	0.792	S	S	*	*				161.4	175.4	88.4	-98.5	-152.8	-176.7	0	0	107.7
374	P	34.9	Very low	31.9	Very low	111 Å²	111	156.5 Å²	156.5	72%	0.721	79%	0.787	S	S	*	*			cis	-135.7	173.8	-17.9	25.6	-2.2	0	0	0	115.1
375	E	30.9	Very low	32.5	Very low	168 Å²	168	160.1 Å²	160.1	79%	0.785	80%	0.801	S	S	*	*			trans	-72.2	156.8	178	-58.8	177.3	147.6	0	0	115.9
376	Q	36.3	Very low	33	Very low	203 Å²	203	156.6 Å²	156.6	95%	0.949	80%	0.799	S	S	*	*			trans	-134.7	123.4	148.3	-78.8	-167.7	-6.1	0	0	112.3
377	N	32	Very low	33.1	Very low	141 Å²	141	159.2 Å²	159.2	75%	0.754	80%	0.803	S	S	*	*			trans	-66.1	157.4	178.3	-86.5	-48.3	0	0	0	115.4
378	K	37.2	Very low	33.4	Very low	175 Å²	175	154.3 Å²	154.3	76%	0.761	80%	0.801	S	S	*	*				161.8	139	128.2	-88	-179.9	177.8	-174.5	0	109
379	E	36	Very low	33.7	Very low	166 Å²	166	154.9 Å²	154.9	78%	0.776	80%	0.801	S	S	*	*			cis	-169.7	150.3	-1.4	-115.2	162.8	-157.8	0	0	106
380	N	30.8	Very low	33.9	Very low	147 Å²	147	159.1 Å²	159.1	79%	0.786	81%	0.81	S	S	*	*			trans	-62.9	148.6	-177.9	-69.2	-40	0	0	0	114.8
381	I	38.1	Very low	34.3	Very low	162 Å²	162	155.7 Å²	155.7	83%	0.831	81%	0.805	S	S	*	*			trans	-142.5	97	134.5	-58.3	-175.3	0	0	0	109.4
382	D	35.5	Very low	34.9	Very low	127 Å²	127	150.2 Å²	150.2	68%	0.679	79%	0.785	S	S	*	*			trans	48.9	109.7	132.2	-57.5	-12.5	0	0	0	122.3
383	D	34	Very low	35.4	Very low	157 Å²	157	146.4 Å²	146.4	84%	0.84	77%	0.773	S	S	*	*				36.6	112.5	111.1	-69	-21.4	0	0	0	119.2
384	A	35.5	Very low	35.7	Very low	92 Å²	92	144.1 Å²	144.1	76%	0.76	77%	0.766	S	S	*	*				-175.1	128	124.6	0	0	0	0	0	112.4
385	V	39.2	Very low	35.9	Very low	151 Å²	151	144.9 Å²	144.9	92%	0.915	76%	0.76	S	S	*	*			trans	69.7	117.6	158.8	-159	0	0	0	0	115.3
386	G	34.3	Very low	36.3	Very low	67 Å²	67	143.5 Å²	143.5	69%	0.691	75%	0.753	S	S	*	*			cis	140.2	125.7	34.6	0	0	0	0	0	106.4
387	R	32	Very low	36.7	Very low	260 Å²	260	140.4 Å²	140.4	98%	0.981	74%	0.739	S	S	*	*	S	Bend	trans	-53.5	137.9	-176.8	-74.6	168.8	165.8	150	-4.6	112.5
388	G	31.7	Very low	37.2	Very low	70 Å²	70	137.9 Å²	137.9	72%	0.722	73%	0.725	S	S	*	*			trans	101.1	85.4	154.8	0	0	0	0	0	115.4
389	K	37.3	Very low	37.1	Very low	186 Å²	186	138.3 Å²	138.3	81%	0.809	72%	0.722	S	S	*	*			trans	-177.6	26.4	155.2	-105.1	166.5	-171.6	-171.4	0	116.1	S391	K389-S391 PolarHBondContact O-N 3.41Å
390	R	33.9	Very low	37.8	Very low	247 Å²	247	133.3 Å²	133.3	93%	0.932	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	15.2	-176.8	-91.5	-175.1	178.3	167.3	0.3	116.6
391	S	37	Very low	38.7	Very low	97 Å²	97	133.2 Å²	133.2	68%	0.678	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	-5	177.4	-172.6	0	0	0	0	114.9	K389	K389-S391 PolarHBondContact O-N 3.41Å
392	V	43.8	Very low	39.4	Very low	89 Å²	89	131.3 Å²	131.3	54%	0.539	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109	-23.6	-172	-175.2	0	0	0	0	113	Q395	V392-Q395 PolarHBondContact O-N 2.64Å
393	V	39.7	Very low	40.5	Very low	92 Å²	92	127.8 Å²	127.8	56%	0.558	67%	0.671	S	S	*	*	H	α-helix	trans	-83	-20.4	-178.9	-178.4	0	0	0	0	113.1	Q395 E396 Q397	V393-Q395 VanDerWaalsContact C-N 3.33Å; V393-E396 PolarHBondContact O-N 2.99Å; V393-Q397 PolarHBondContact O-N 3.47Å
394	L	39.8	Very low	42.1	Very low	118 Å²	118	127 Å²	127	62%	0.618	66%	0.66	S	S	*	*	H	α-helix	trans	-71.5	-29.1	170.4	-111.5	138.5	0	0	0	111.8	L398	L394-L398 HydrophobicContact CD2-CD1 4.01Å; L394-L398 WeakPolarHBondContact O-CB 3.2Å; L394-L398 VanDerWaalsContact O-CD1 3.24Å; L394-L398 WeakPolarHBondContact O-CD1 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.23Å; L394-L398 PolarHBondContact O-N 3.44Å
395	Q	38.6	Very low	43.7	Very low	128 Å²	128	125.8 Å²	125.8	60%	0.598	64%	0.64	S	S	*	*	H	α-helix	trans	-75.3	-24.7	174.5	-79	-178.1	-31	0	0	113	V392 V393 R399	V392-Q395 PolarHBondContact O-N 2.64Å; V393-Q395 VanDerWaalsContact C-N 3.33Å; Q395-R399 WeakPolarHBondContact O-CB 3.38Å; Q395-R399 VanDerWaalsContact O-CG 3.23Å; Q395-R399 WeakPolarHBondContact O-CG 3.34Å; Q395-R399 PolarHBondContact O-N 3.05Å
396	E	39.4	Very low	45.3	Very low	138 Å²	138	124.4 Å²	124.4	65%	0.645	62%	0.624	S	S	*	*	H	α-helix	trans	-84.1	-33.8	179.8	-135.6	157.6	-159.3	0	0	112.1	V393 S400	V393-E396 PolarHBondContact O-N 2.99Å; E396-S400 PolarHBondContact O-N 3.45Å
397	Q	45.4	Very low	47.3	Very low	138 Å²	138	126.9 Å²	126.9	65%	0.645	62%	0.618	S	S	*	*	H	α-helix	trans	-75.4	-35.9	169.6	-74.5	-165	-22.6	0	0	113.2	V393 S400 K401	V393-Q397 PolarHBondContact O-N 3.47Å; Q397-S400 PolarHBondContact O-N 3.21Å; Q397-S400 PolarHBondContact O-OG 3.38Å; Q397-K401 PolarHBondContact O-N 2.88Å; Q397-K401 VanDerWaalsContact O-N 3.15Å
398	L	42.4	Very low	49.5	Very low	89 Å²	89	116.2 Å²	116.2	47%	0.466	58%	0.578	S	S	.	*	H	α-helix	trans	-67.1	-39.8	172.6	-74.7	164.6	0	0	0	111.8	L394 S400 K401 E402	L394-L398 HydrophobicContact CD2-CD1 4.01Å; L394-L398 WeakPolarHBondContact O-CB 3.2Å; L394-L398 VanDerWaalsContact O-CD1 3.24Å; L394-L398 WeakPolarHBondContact O-CD1 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.23Å; L394-L398 PolarHBondContact O-N 3.44Å; L398-S400 VanDerWaalsContact C-N 3.3Å; L398-S400 PolarHBondContact O-N 3.21Å; L398-K401 PolarHBondContact O-N 2.94Å; L398-E402 WeakPolarHBondContact O-CG 3.37Å; L398-E402 PolarHBondContact O-N 3.41Å
399	R	34.9	Very low	51.7	Low	184 Å²	184	120.4 Å²	120.4	69%	0.694	58%	0.576	S	S	*	*	H	α-helix	trans	-61.3	-35	172.2	-87.9	175.7	151.2	175.6	-6.4	113.6	Q395 S403	Q395-R399 WeakPolarHBondContact O-CB 3.38Å; Q395-R399 VanDerWaalsContact O-CG 3.23Å; Q395-R399 WeakPolarHBondContact O-CG 3.34Å; Q395-R399 PolarHBondContact O-N 3.05Å; R399-S403 WeakPolarHBondContact O-CB 3.46Å; R399-S403 PolarHBondContact O-N 3.39Å
400	S	50	Low	53.7	Low	61 Å²	61	117.4 Å²	117.4	43%	0.427	57%	0.565	S	S	.	*	H	α-helix	trans	-74.3	-28.4	177.4	76.4	0	0	0	0	113.5	E396 Q397 L398 K404	E396-S400 PolarHBondContact O-N 3.45Å; Q397-S400 PolarHBondContact O-N 3.21Å; Q397-S400 PolarHBondContact O-OG 3.38Å; L398-S400 VanDerWaalsContact C-N 3.3Å; L398-S400 PolarHBondContact O-N 3.21Å; S400-K404 WeakPolarHBondContact O-CG 3.48Å; S400-K404 PolarHBondContact O-N 3.02Å
401	K	51.1	Low	56.1	Low	144 Å²	144	108.7 Å²	108.7	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-75.4	-46.8	174.1	-84.6	-171.2	169.6	-168	0	111.4	Q397 L398 S403 K404 D405	Q397-K401 PolarHBondContact O-N 2.88Å; Q397-K401 VanDerWaalsContact O-N 3.15Å; L398-K401 PolarHBondContact O-N 2.94Å; K401-S403 VanDerWaalsContact C-N 3.27Å; K401-S403 PolarHBondContact O-N 3.27Å; K401-K404 PolarHBondContact O-N 3.41Å; K401-K404 VanDerWaalsContact O-N 3.1Å; K401-D405 PolarHBondContact O-N 2.83Å
402	E	51.7	Low	58.3	Low	123 Å²	123	104.6 Å²	104.6	58%	0.575	50%	0.504	S	S	*	.	H	α-helix	trans	-56.8	-41.8	175.8	-73.2	174.3	167.4	0	0	111.5	L398 K404 D405 E406	L398-E402 WeakPolarHBondContact O-CG 3.37Å; L398-E402 PolarHBondContact O-N 3.41Å; E402-K404 PolarHBondContact O-N 3.24Å; E402-D405 PolarHBondContact O-N 2.91Å; E402-E406 WeakPolarHBondContact O-CB 3.47Å; E402-E406 WeakPolarHBondContact O-CG 3.48Å; E402-E406 PolarHBondContact O-N 3.03Å
403	S	58.7	Low	60.1	Low	53 Å²	53	106.8 Å²	106.8	37%	0.371	51%	0.507	S	S	.	.	H	α-helix	trans	-66.1	-34	177.4	-180	0	0	0	0	113.9	R399 K401 Q407	R399-S403 WeakPolarHBondContact O-CB 3.46Å; R399-S403 PolarHBondContact O-N 3.39Å; K401-S403 VanDerWaalsContact C-N 3.27Å; K401-S403 PolarHBondContact O-N 3.27Å; S403-Q407 WeakPolarHBondContact O-CB 3.33Å; S403-Q407 WeakPolarHBondContact O-CG 3.31Å; S403-Q407 PolarHBondContact O-N 3Å; S403-Q407 VanDerWaalsContact O-N 3.13Å
404	K	67.7	Low	62.1	Low	141 Å²	141	107.6 Å²	107.6	61%	0.613	51%	0.505	S	S	*	.	H	α-helix	trans	-74.7	-40.2	177.6	-77.7	-175.3	177.3	-170.9	0	111.4	S400 K401 E402 Q407 R408	S400-K404 WeakPolarHBondContact O-CG 3.48Å; S400-K404 PolarHBondContact O-N 3.02Å; K401-K404 PolarHBondContact O-N 3.41Å; K401-K404 VanDerWaalsContact O-N 3.1Å; E402-K404 PolarHBondContact O-N 3.24Å; K404-Q407 PolarHBondContact O-N 2.65Å; K404-R408 VanDerWaalsContact O-CB 3.31Å; K404-R408 WeakPolarHBondContact O-CB 3.21Å; K404-R408 PolarHBondContact O-N 3.37Å
405	D	68.8	Low	64.2	Low	65 Å²	65	102.8 Å²	102.8	35%	0.348	48%	0.479	S	S	.	.	H	α-helix	trans	-67.2	-37.8	177.6	-69.1	-30.9	0	0	0	111.5	K401 E402 R408 K409	K401-D405 PolarHBondContact O-N 2.83Å; E402-D405 PolarHBondContact O-N 2.91Å; D405-R408 WeakPolarHBondContact O-CB 3.43Å; D405-R408 PolarHBondContact O-N 3.05Å; D405-R408 IonicContact OD1-CZ 3.99Å; D405-R408 IonicContact OD1-NH1 2.71Å; D405-R408 PolarHBondContact OD1-NH1 2.92Å; D405-R408 IonicContact OD1-NH2 2.99Å; D405-K409 VanDerWaalsContact O-CG 3.3Å; D405-K409 WeakPolarHBondContact O-CG 3.38Å; D405-K409 PolarHBondContact O-N 3.16Å
406	E	72.7	Confident	66.2	Low	122 Å²	122	97.9 Å²	97.9	57%	0.57	46%	0.457	S	S	*	.	H	α-helix	trans	-65.1	-44.8	172.3	-78.1	-179.1	175.5	0	0	112.6	E402 R408 K409 Q410	E402-E406 WeakPolarHBondContact O-CB 3.47Å; E402-E406 WeakPolarHBondContact O-CG 3.48Å; E402-E406 PolarHBondContact O-N 3.03Å; E406-R408 VanDerWaalsContact C-N 3.28Å; E406-R408 PolarHBondContact O-N 3.38Å; E406-K409 PolarHBondContact O-N 2.9Å; E406-Q410 WeakPolarHBondContact O-CG 3.5Å; E406-Q410 PolarHBondContact O-N 2.83Å
407	Q	77	Confident	68	Low	119 Å²	119	96.4 Å²	96.4	56%	0.556	45%	0.45	S	S	*	.	H	α-helix	trans	-59.6	-41.3	174.3	-76.5	170.1	10.3	0	0	111.5	S403 K404 Q410 H411	S403-Q407 WeakPolarHBondContact O-CB 3.33Å; S403-Q407 WeakPolarHBondContact O-CG 3.31Å; S403-Q407 PolarHBondContact O-N 3Å; S403-Q407 VanDerWaalsContact O-N 3.13Å; K404-Q407 PolarHBondContact O-N 2.65Å; Q407-Q410 PolarHBondContact O-N 3.43Å; Q407-H411 WeakPolarHBondContact O-CB 3.29Å; Q407-H411 PolarHBondContact O-N 3.42Å
408	R	77.4	Confident	69.7	Low	37 Å²	37	94.1 Å²	94.1	14%	0.14	44%	0.439	C	S	.	.	H	α-helix	trans	-61.6	-46.3	176.6	-162.1	-170.9	-72.8	136.5	-0.7	111.3	K404 D405 E406 H411 Q412 D795 N798 Y804	K404-R408 VanDerWaalsContact O-CB 3.31Å; K404-R408 WeakPolarHBondContact O-CB 3.21Å; K404-R408 PolarHBondContact O-N 3.37Å; D405-R408 WeakPolarHBondContact O-CB 3.43Å; D405-R408 PolarHBondContact O-N 3.05Å; D405-R408 IonicContact OD1-CZ 3.99Å; D405-R408 IonicContact OD1-NH1 2.71Å; D405-R408 PolarHBondContact OD1-NH1 2.92Å; D405-R408 IonicContact OD1-NH2 2.99Å; E406-R408 VanDerWaalsContact C-N 3.28Å; E406-R408 PolarHBondContact O-N 3.38Å; R408-H411 PolarHBondContact O-N 2.85Å; R408-Q412 WeakPolarHBondContact O-CB 3.13Å; R408-Q412 VanDerWaalsContact O-CG 3.27Å; R408-Q412 WeakPolarHBondContact O-CG 3.33Å; R408-Q412 PolarHBondContact O-N 3.46Å; R408-D795 IonicContact CZ-OD1 2.58Å; R408-D795 IonicContact NE-OD1 3.64Å; R408-D795 PolarHBondContact NE-OD1 3.08Å; R408-D795 VanDerWaalsContact NH2-CG 3.33Å; R408-D795 IonicContact NH2-OD1 3.43Å; R408-D795 PolarHBondContact NH2-OD1 3.35Å; R408-D795 IonicContact NH2-OD2 3.63Å; R408-D795 PolarHBondContact NH2-OD2 3.2Å; R408-N798 WeakPolarHBondContact CD-ND2 3.44Å; R408-N798 WeakPolarHBondContact CG-ND2 3.45Å; R408-Y804 WeakPolarHBondContact CD-OH 3.5Å; R408-Y804 WeakPolarHBondContact CG-OH 3.29Å
409	K	78.8	Confident	71.6	Confident	157 Å²	157	90.6 Å²	90.6	68%	0.683	42%	0.421	S	S	*	.	H	α-helix	trans	-63.7	-42.3	177.8	-75	176.8	179.8	-173.2	0	112.5	D405 E406 K413	D405-K409 VanDerWaalsContact O-CG 3.3Å; D405-K409 WeakPolarHBondContact O-CG 3.38Å; D405-K409 PolarHBondContact O-N 3.16Å; E406-K409 PolarHBondContact O-N 2.9Å; K409-K413 WeakPolarHBondContact O-CB 3.42Å; K409-K413 PolarHBondContact O-N 2.67Å
410	Q	79.9	Confident	73.7	Confident	123 Å²	123	83.2 Å²	83.2	58%	0.575	40%	0.395	S	S	*	.	H	α-helix	trans	-63.9	-47.7	176.7	-72.6	175.6	6.8	0	0	111.3	E406 Q407 Q412 K413 E414	E406-Q410 WeakPolarHBondContact O-CG 3.5Å; E406-Q410 PolarHBondContact O-N 2.83Å; Q407-Q410 PolarHBondContact O-N 3.43Å; Q410-Q412 PolarHBondContact O-N 2.94Å; Q410-K413 WeakPolarHBondContact O-CB 3.47Å; Q410-K413 PolarHBondContact O-N 3.15Å; Q410-E414 PolarHBondContact O-N 3.36Å
411	H	84	Confident	75.1	Confident	65 Å²	65	85.1 Å²	85.1	30%	0.301	40%	0.4	S	S	.	.	H	α-helix	trans	-60.7	-44.5	178	-174.7	-151.4	0	0	0	112	Q407 R408 K413 E414 L415 D801	Q407-H411 WeakPolarHBondContact O-CB 3.29Å; Q407-H411 PolarHBondContact O-N 3.42Å; R408-H411 PolarHBondContact O-N 2.85Å; H411-K413 VanDerWaalsContact C-N 3.32Å; H411-K413 PolarHBondContact O-N 2.62Å; H411-E414 PolarHBondContact O-N 2.68Å; H411-L415 WeakPolarHBondContact O-CG 3.47Å; H411-L415 PolarHBondContact O-N 2.76Å; H411-D801 IonicContact CE1-OD1 3.67Å; H411-D801 PolarHBondContact CE1-OD1 2.78Å; H411-D801 IonicContact NE2-OD1 3.47Å
412	Q	83	Confident	76.6	Confident	10 Å²	10	83.6 Å²	83.6	5%	0.047	39%	0.393	C	S	.	.	H	α-helix	trans	-62.5	-38.1	176.9	-77.3	-68.5	-38.2	0	0	112.9	R408 Q410 L415 I416 N798 I802 Y804	R408-Q412 WeakPolarHBondContact O-CB 3.13Å; R408-Q412 VanDerWaalsContact O-CG 3.27Å; R408-Q412 WeakPolarHBondContact O-CG 3.33Å; R408-Q412 PolarHBondContact O-N 3.46Å; Q410-Q412 PolarHBondContact O-N 2.94Å; Q412-L415 PolarHBondContact O-N 2.78Å; Q412-I416 WeakPolarHBondContact O-CG1 3.38Å; Q412-I416 PolarHBondContact O-N 3.02Å; Q412-N798 VanDerWaalsContact CG-OD1 3.28Å; Q412-N798 WeakPolarHBondContact CG-OD1 3.47Å; Q412-N798 PolarHBondContact NE2-OD1 2.91Å; Q412-I802 PolarHBondContact NE2-O 2.97Å; Q412-I802 VanDerWaalsContact NE2-O 3.16Å; Q412-Y804 VanDerWaalsContact CD-CD1 3.49Å; Q412-Y804 HydrophobicContact CG-CD1 4.33Å; Q412-Y804 HydrophobicContact CG-CE1 3.67Å
413	K	81.1	Confident	77.8	Confident	136 Å²	136	77.9 Å²	77.9	59%	0.591	37%	0.366	S	S	*	.	H	α-helix	trans	-62.9	-44.8	174.6	-170.4	179.5	178.2	-177.7	0	111.7	K409 Q410 H411 L415 I416 E417	K409-K413 WeakPolarHBondContact O-CB 3.42Å; K409-K413 PolarHBondContact O-N 2.67Å; Q410-K413 WeakPolarHBondContact O-CB 3.47Å; Q410-K413 PolarHBondContact O-N 3.15Å; H411-K413 VanDerWaalsContact C-N 3.32Å; H411-K413 PolarHBondContact O-N 2.62Å; K413-L415 VanDerWaalsContact C-N 3.32Å; K413-L415 PolarHBondContact O-N 2.94Å; K413-I416 PolarHBondContact O-N 3.18Å; K413-E417 WeakPolarHBondContact CE-OE1 3.48Å; K413-E417 WeakPolarHBondContact O-CG 3.25Å; K413-E417 PolarHBondContact O-N 3.14Å
414	E	82.6	Confident	78.6	Confident	109 Å²	109	81.9 Å²	81.9	51%	0.509	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-39.4	175.3	-69	176.8	-176.8	0	0	111.9	Q410 H411 E417 Q418	Q410-E414 PolarHBondContact O-N 3.36Å; H411-E414 PolarHBondContact O-N 2.68Å; E414-E417 PolarHBondContact O-N 3.27Å; E414-Q418 WeakPolarHBondContact O-CB 3.35Å; E414-Q418 VanDerWaalsContact O-CG 3.29Å; E414-Q418 WeakPolarHBondContact O-CG 3.48Å; E414-Q418 PolarHBondContact O-N 3.12Å
415	L	82.3	Confident	79.1	Confident	17 Å²	17	80.6 Å²	80.6	9%	0.089	37%	0.37	C	S	.	.	H	α-helix	trans	-64.4	-42.6	176.7	-71.9	172.9	0	0	0	112.3	H411 Q412 K413 Q418 L419 D801 P803	H411-L415 WeakPolarHBondContact O-CG 3.47Å; H411-L415 PolarHBondContact O-N 2.76Å; Q412-L415 PolarHBondContact O-N 2.78Å; K413-L415 VanDerWaalsContact C-N 3.32Å; K413-L415 PolarHBondContact O-N 2.94Å; L415-Q418 PolarHBondContact O-N 3.42Å; L415-L419 VanDerWaalsContact O-CB 3.29Å; L415-L419 WeakPolarHBondContact O-CB 3.33Å; L415-L419 PolarHBondContact O-N 3.36Å; L415-D801 HydrophobicContact CD2-CB 4.07Å; L415-P803 HydrophobicContact CB-CB 4.17Å
416	I	80.6	Confident	79.6	Confident	25 Å²	25	81.5 Å²	81.5	13%	0.128	37%	0.368	C	S	.	.	H	α-helix	trans	-65.1	-42.8	177.3	-67.7	167.6	0	0	0	110.9	Q412 K413 Q418 L419 N420 P803 T837	Q412-I416 WeakPolarHBondContact O-CG1 3.38Å; Q412-I416 PolarHBondContact O-N 3.02Å; K413-I416 PolarHBondContact O-N 3.18Å; I416-Q418 PolarHBondContact O-N 3.46Å; I416-L419 WeakPolarHBondContact O-CB 3.32Å; I416-L419 PolarHBondContact O-N 3.1Å; I416-N420 PolarHBondContact O-N 3.17Å; I416-P803 HydrophobicContact CG1-CB 3.78Å; I416-T837 HydrophobicContact CD1-CG2 4.08Å
417	E	78.5	Confident	79.5	Confident	107 Å²	107	78 Å²	78	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-61.5	-44.9	175.7	-73.4	177.8	-166.4	0	0	111.4	K413 E414 L419 N420 I421	K413-E417 WeakPolarHBondContact CE-OE1 3.48Å; K413-E417 WeakPolarHBondContact O-CG 3.25Å; K413-E417 PolarHBondContact O-N 3.14Å; E414-E417 PolarHBondContact O-N 3.27Å; E417-L419 VanDerWaalsContact C-N 3.32Å; E417-L419 PolarHBondContact O-N 3.13Å; E417-N420 PolarHBondContact O-N 2.88Å; E417-I421 WeakPolarHBondContact O-CG1 3.38Å; E417-I421 PolarHBondContact O-N 3.46Å
418	Q	81.6	Confident	79.2	Confident	90 Å²	90	75 Å²	75	42%	0.421	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-35.6	175.3	-73.1	-178.7	30.1	0	0	112.9	E414 L415 I416 I421 K422	E414-Q418 WeakPolarHBondContact O-CB 3.35Å; E414-Q418 VanDerWaalsContact O-CG 3.29Å; E414-Q418 WeakPolarHBondContact O-CG 3.48Å; E414-Q418 PolarHBondContact O-N 3.12Å; L415-Q418 PolarHBondContact O-N 3.42Å; I416-Q418 PolarHBondContact O-N 3.46Å; Q418-I421 PolarHBondContact O-N 2.96Å; Q418-K422 WeakPolarHBondContact O-CB 3.47Å; Q418-K422 WeakPolarHBondContact O-CG 3.17Å; Q418-K422 PolarHBondContact O-N 3.15Å
419	L	82.1	Confident	78.7	Confident	14 Å²	14	79.8 Å²	79.8	7%	0.073	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-49.9	177.7	-179.8	160.9	0	0	0	110.6	L415 I416 E417 I421 K422 A423 E752 L753 P803 W833	L415-L419 VanDerWaalsContact O-CB 3.29Å; L415-L419 WeakPolarHBondContact O-CB 3.33Å; L415-L419 PolarHBondContact O-N 3.36Å; I416-L419 WeakPolarHBondContact O-CB 3.32Å; I416-L419 PolarHBondContact O-N 3.1Å; E417-L419 VanDerWaalsContact C-N 3.32Å; E417-L419 PolarHBondContact O-N 3.13Å; L419-I421 VanDerWaalsContact C-N 3.25Å; L419-I421 PolarHBondContact O-N 3.33Å; L419-K422 PolarHBondContact O-N 3.03Å; L419-A423 VanDerWaalsContact O-CB 3.29Å; L419-A423 WeakPolarHBondContact O-CB 3.41Å; L419-A423 PolarHBondContact O-N 3.19Å; L419-E752 HydrophobicContact CD1-CG 4.04Å; L419-E752 WeakPolarHBondContact CD1-O 3.18Å; L419-E752 HydrophobicContact CD2-CG 4.19Å; L419-E752 WeakPolarHBondContact CD2-OE1 3.38Å; L419-E752 HydrophobicContact CG-CG 4.29Å; L419-E752 VanDerWaalsContact CG-OE1 3.23Å; L419-E752 WeakPolarHBondContact CG-OE1 3.24Å; L419-L753 HydrophobicContact CD1-CB 4.12Å; L419-P803 HydrophobicContact CD1-CB 4.31Å; L419-P803 HydrophobicContact CD1-CG 3.26Å; L419-W833 VanDerWaalsContact CD2-CD1 3.44Å
420	N	77.5	Confident	77.9	Confident	30 Å²	30	74.4 Å²	74.4	16%	0.16	36%	0.357	C	S	.	.	H	α-helix	trans	-57.8	-39.3	179.2	-75	-21.6	0	0	0	111.5	I416 E417 R424 F828	I416-N420 PolarHBondContact O-N 3.17Å; E417-N420 PolarHBondContact O-N 2.88Å; N420-R424 WeakPolarHBondContact O-CB 3.22Å; N420-R424 PolarHBondContact O-N 3Å; N420-R424 VanDerWaalsContact O-N 3.1Å; N420-F828 HydrophobicContact CB-CD1 4.48Å
421	I	80.4	Confident	76.8	Confident	101 Å²	101	74.6 Å²	74.6	52%	0.518	36%	0.357	S	S	.	.	H	α-helix	trans	-65.3	-52.7	175.2	-62.5	166.8	0	0	0	111.1	E417 Q418 L419 A423 R424 E425	E417-I421 WeakPolarHBondContact O-CG1 3.38Å; E417-I421 PolarHBondContact O-N 3.46Å; Q418-I421 PolarHBondContact O-N 2.96Å; L419-I421 VanDerWaalsContact C-N 3.25Å; L419-I421 PolarHBondContact O-N 3.33Å; I421-A423 VanDerWaalsContact C-N 3.3Å; I421-A423 PolarHBondContact O-N 3.23Å; I421-R424 WeakPolarHBondContact O-CB 3.31Å; I421-R424 PolarHBondContact O-N 3.38Å; I421-E425 WeakPolarHBondContact O-CG 3.31Å; I421-E425 PolarHBondContact O-N 3.22Å
422	K	82.6	Confident	75	Confident	112 Å²	112	78.9 Å²	78.9	49%	0.487	38%	0.382	S	S	.	.	H	α-helix	trans	-62.7	-35.1	-179.3	-73.5	173.9	-176.8	166.3	0	112.5	Q418 L419 R426	Q418-K422 WeakPolarHBondContact O-CB 3.47Å; Q418-K422 WeakPolarHBondContact O-CG 3.17Å; Q418-K422 PolarHBondContact O-N 3.15Å; L419-K422 PolarHBondContact O-N 3.03Å; K422-R426 WeakPolarHBondContact O-CG 3.36Å; K422-R426 PolarHBondContact O-N 3.03Å; K422-R426 VanDerWaalsContact O-N 3.11Å; K422-R426 PolarHBondContact O-NE 2.99Å; K422-R426 VanDerWaalsContact O-NE 3.1Å
423	A	75.8	Confident	73.5	Confident	2 Å²	2	82.3 Å²	82.3	2%	0.017	41%	0.412	C	S	.	.	H	α-helix	trans	-68	-42.7	176.6	0	0	0	0	0	111.2	L419 I421 E425 R426 L427 F828	L419-A423 VanDerWaalsContact O-CB 3.29Å; L419-A423 WeakPolarHBondContact O-CB 3.41Å; L419-A423 PolarHBondContact O-N 3.19Å; I421-A423 VanDerWaalsContact C-N 3.3Å; I421-A423 PolarHBondContact O-N 3.23Å; A423-E425 PolarHBondContact O-N 3.3Å; A423-R426 PolarHBondContact O-N 3.46Å; A423-L427 PolarHBondContact O-N 2.89Å; A423-F828 HydrophobicContact CB-CD1 4.47Å; A423-F828 HydrophobicContact CB-CE1 3.59Å; A423-F828 HydrophobicContact CB-CE2 4.07Å; A423-F828 HydrophobicContact CB-CZ 3.37Å
424	R	75.2	Confident	71.6	Confident	138 Å²	138	84.5 Å²	84.5	52%	0.521	42%	0.421	S	S	.	.	H	α-helix	trans	-60.2	-43.8	174.8	-165.5	176.6	-169.4	126.3	10.8	112	N420 I421 L427 A428 D829	N420-R424 WeakPolarHBondContact O-CB 3.22Å; N420-R424 PolarHBondContact O-N 3Å; N420-R424 VanDerWaalsContact O-N 3.1Å; I421-R424 WeakPolarHBondContact O-CB 3.31Å; I421-R424 PolarHBondContact O-N 3.38Å; R424-L427 PolarHBondContact O-N 3.4Å; R424-A428 WeakPolarHBondContact O-CB 3.49Å; R424-A428 PolarHBondContact O-N 2.93Å; R424-D829 IonicContact CZ-OD1 2.74Å; R424-D829 VanDerWaalsContact CZ-OD1 3.23Å; R424-D829 IonicContact NH1-OD1 3.37Å; R424-D829 PolarHBondContact NH1-OD1 2.97Å; R424-D829 IonicContact NH2-OD1 2.79Å; R424-D829 PolarHBondContact NH2-OD1 2.72Å; R424-D829 IonicContact NH2-OD2 3.84Å
425	E	79.9	Confident	69.1	Low	114 Å²	114	84.9 Å²	84.9	53%	0.533	44%	0.436	S	S	.	.	H	α-helix	trans	-62.7	-43	176.1	-71.6	-179.4	169.2	0	0	112.5	I421 A423 A428 Q429	I421-E425 WeakPolarHBondContact O-CG 3.31Å; I421-E425 PolarHBondContact O-N 3.22Å; A423-E425 PolarHBondContact O-N 3.3Å; E425-A428 PolarHBondContact O-N 2.88Å; E425-Q429 WeakPolarHBondContact O-CG 3.38Å; E425-Q429 PolarHBondContact O-N 3.46Å
426	R	78.5	Confident	66.8	Low	84 Å²	84	94 Å²	94	32%	0.317	48%	0.475	S	S	.	.	H	α-helix	trans	-63.5	-43.1	177.3	-78	178.8	-76.6	157.4	-7.4	112.3	K422 A423 Q429 A430 E752 K773	K422-R426 WeakPolarHBondContact O-CG 3.36Å; K422-R426 PolarHBondContact O-N 3.03Å; K422-R426 VanDerWaalsContact O-N 3.11Å; K422-R426 PolarHBondContact O-NE 2.99Å; K422-R426 VanDerWaalsContact O-NE 3.1Å; A423-R426 PolarHBondContact O-N 3.46Å; R426-Q429 PolarHBondContact O-N 2.99Å; R426-A430 WeakPolarHBondContact O-CB 3.28Å; R426-A430 PolarHBondContact O-N 3.46Å; R426-E752 IonicContact CZ-OE1 2.74Å; R426-E752 IonicContact CZ-OE2 2.7Å; R426-E752 IonicContact NH1-OE1 3.49Å; R426-E752 IonicContact NH1-OE2 3.94Å; R426-E752 PolarHBondContact NH1-OE2 3.37Å; R426-E752 IonicContact NH2-OE1 2.63Å; R426-E752 PolarHBondContact NH2-OE1 3Å; R426-E752 IonicContact NH2-OE2 2.64Å; R426-E752 PolarHBondContact NH2-OE2 3.25Å; R426-K773 VanDerWaalsContact NH1-CB 3.31Å
427	L	71.1	Confident	64.4	Low	47 Å²	47	101.8 Å²	101.8	25%	0.246	51%	0.511	C	S	.	.	H	α-helix	trans	-64.4	-40.3	176.8	-78.4	163.6	0	0	0	112.1	A423 R424 Q429 A430 K431 A824 F828	A423-L427 PolarHBondContact O-N 2.89Å; R424-L427 PolarHBondContact O-N 3.4Å; L427-Q429 VanDerWaalsContact C-N 3.33Å; L427-Q429 PolarHBondContact O-N 3.44Å; L427-A430 PolarHBondContact O-N 2.97Å; L427-K431 PolarHBondContact O-N 3.31Å; L427-A824 HydrophobicContact CD1-CB 4Å; L427-A824 HydrophobicContact CD2-CB 3.77Å; L427-F828 HydrophobicContact CD1-CD2 3.5Å; L427-F828 HydrophobicContact CD1-CE2 3.35Å; L427-F828 HydrophobicContact CD1-CZ 4.5Å
428	A	70.3	Confident	62	Low	57 Å²	57	106.7 Å²	106.7	47%	0.471	53%	0.531	S	S	.	.	H	α-helix	trans	-62	-39.6	174.7	0	0	0	0	0	112.2	R424 E425	R424-A428 WeakPolarHBondContact O-CB 3.49Å; R424-A428 PolarHBondContact O-N 2.93Å; E425-A428 PolarHBondContact O-N 2.88Å
429	Q	67.6	Low	59.6	Low	137 Å²	137	112 Å²	112	64%	0.64	55%	0.552	S	S	*	*	H	α-helix	trans	-69.7	-37.6	175.9	-69.7	176.9	19.1	0	0	112.6	E425 R426 L427 K431 N432	E425-Q429 WeakPolarHBondContact O-CG 3.38Å; E425-Q429 PolarHBondContact O-N 3.46Å; R426-Q429 PolarHBondContact O-N 2.99Å; L427-Q429 VanDerWaalsContact C-N 3.33Å; L427-Q429 PolarHBondContact O-N 3.44Å; Q429-K431 VanDerWaalsContact C-N 3.33Å; Q429-K431 PolarHBondContact O-N 3.16Å; Q429-N432 PolarHBondContact O-N 2.99Å
430	A	61.8	Low	57	Low	44 Å²	44	116.5 Å²	116.5	36%	0.364	59%	0.585	S	S	.	*	H	α-helix	trans	-65.9	-31.7	179.9	0	0	0	0	0	113.2	R426 L427 N432 A433	R426-A430 WeakPolarHBondContact O-CB 3.28Å; R426-A430 PolarHBondContact O-N 3.46Å; L427-A430 PolarHBondContact O-N 2.97Å; A430-N432 VanDerWaalsContact C-N 3.26Å; A430-N432 PolarHBondContact O-N 2.83Å; A430-A433 PolarHBondContact O-N 2.84Å
431	K	55.3	Low	54.8	Low	128 Å²	128	121.6 Å²	121.6	56%	0.557	62%	0.617	S	S	*	*	H	α-helix	trans	-62.4	-29.9	174.8	-81.2	-171	173.5	-173	0	113.1	L427 Q429 A433 E825	L427-K431 PolarHBondContact O-N 3.31Å; Q429-K431 VanDerWaalsContact C-N 3.33Å; Q429-K431 PolarHBondContact O-N 3.16Å; K431-A433 VanDerWaalsContact C-N 3.32Å; K431-A433 PolarHBondContact O-N 2.86Å; K431-E825 WeakPolarHBondContact CE-OE1 3.48Å; K431-E825 IonicContact NZ-OE1 3.36Å; K431-E825 PolarHBondContact NZ-OE1 3.39Å; K431-E825 IonicContact NZ-OE2 3.69Å; K431-E825 PolarHBondContact NZ-OE2 2.98Å
432	N	48.1	Very low	52.3	Low	154 Å²	154	122.6 Å²	122.6	82%	0.824	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-10.1	177.8	-77.7	-25.1	0	0	0	114	Q429 A430	Q429-N432 PolarHBondContact O-N 2.99Å; A430-N432 VanDerWaalsContact C-N 3.26Å; A430-N432 PolarHBondContact O-N 2.83Å
433	A	51.2	Low	49.8	Very low	82 Å²	82	122.2 Å²	122.2	68%	0.678	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	-9.1	-173.4	0	0	0	0	0	115.4	A430 K431	A430-A433 PolarHBondContact O-N 2.84Å; K431-A433 VanDerWaalsContact C-N 3.32Å; K431-A433 PolarHBondContact O-N 2.86Å
434	K	39.9	Very low	47.6	Very low	182 Å²	182	127 Å²	127	79%	0.791	67%	0.671	S	S	*	*			trans	-105	81.9	-174.8	-73.8	-174.9	179.8	175.7	0	113.4
435	S	31.3	Very low	45.8	Very low	118 Å²	118	129.9 Å²	129.9	83%	0.825	69%	0.688	S	S	*	*			trans	-113.6	61.4	155	59	0	0	0	0	110.6
436	K	34	Very low	43.9	Very low	208 Å²	208	129.6 Å²	129.6	90%	0.904	69%	0.694	S	S	*	*			trans	-104.6	100.7	165.7	-85.8	-177.4	178	174.3	0	109.3	K438	K436-K438 PolarHBondContact O-N 3.28Å
437	Q	29.8	Very low	42.1	Very low	188 Å²	188	133.2 Å²	133.2	88%	0.879	72%	0.719	S	S	*	*			trans	-49.9	122.8	171.5	-72.5	174.4	-32.1	0	0	110.4	K439	Q437-K439 PolarHBondContact O-N 3.22Å; Q437-K439 VanDerWaalsContact O-N 3.09Å
438	K	29	Very low	40.9	Very low	211 Å²	211	134.5 Å²	134.5	92%	0.917	73%	0.728	S	S	*	*			trans	-55.4	112.4	160	-83.7	-179.6	173.7	179.2	0	107.1	K436 S440	K436-K438 PolarHBondContact O-N 3.28Å; K438-S440 PolarHBondContact O-N 3.31Å
439	K	29.4	Very low	39.8	Very low	201 Å²	201	142.7 Å²	142.7	87%	0.874	75%	0.747	S	S	*	*			trans	-65.1	114	170.4	-81.7	-178.5	176.1	176.1	0	107.9	Q437 V441	Q437-K439 PolarHBondContact O-N 3.22Å; Q437-K439 VanDerWaalsContact O-N 3.09Å; K439-V441 PolarHBondContact O-N 3.36Å
440	S	28.3	Very low	38.9	Very low	108 Å²	108	139.5 Å²	139.5	76%	0.755	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-65.2	128.1	163.1	50.3	0	0	0	0	108.7	K438 V442	K438-S440 PolarHBondContact O-N 3.31Å; S440-V442 PolarHBondContact O-N 3.17Å
441	V	32.3	Very low	38.4	Very low	137 Å²	137	145.3 Å²	145.3	83%	0.83	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-78.2	117.2	177	177.8	0	0	0	0	108	K439	K439-V441 PolarHBondContact O-N 3.36Å
442	V	26.7	Very low	38	Very low	123 Å²	123	143 Å²	143	75%	0.745	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-80.2	118	174.9	175.6	0	0	0	0	109	S440 S444	S440-V442 PolarHBondContact O-N 3.17Å; V442-S444 PolarHBondContact O-N 2.97Å
443	C	30.3	Very low	38	Very low	104 Å²	104	142.5 Å²	142.5	70%	0.703	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-65.1	116.6	168	-83.4	0	0	0	0	110.3
444	S	28.9	Very low	37.9	Very low	102 Å²	102	140.3 Å²	140.3	71%	0.713	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-99.2	126.8	168.6	60.7	0	0	0	0	110.3	V442	V442-S444 PolarHBondContact O-N 2.97Å
445	F	37.4	Very low	38	Very low	199 Å²	199	135.2 Å²	135.2	87%	0.873	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-81.9	117	171.9	-69.3	-89.4	0	0	0	108.8
446	T	40.8	Very low	38.7	Very low	108 Å²	108	134.9 Å²	134.9	66%	0.663	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-100.7	121.7	173.2	-34.9	0	0	0	0	109.6	V448	T446-V448 PolarHBondContact O-N 3.03Å
447	L	40.5	Very low	39.4	Very low	160 Å²	160	129 Å²	129	84%	0.838	67%	0.673	S	S	*	*			trans	-74.8	108.7	176.4	-159.4	110.3	0	0	0	109.5	R449	L447-R449 PolarHBondContact O-N 2.81Å
448	V	46.9	Very low	40.2	Very low	74 Å²	74	123.9 Å²	123.9	45%	0.448	65%	0.65	S	S	.	*			trans	-83.7	109	175.6	-177	0	0	0	0	108.9	T446 M450	T446-V448 PolarHBondContact O-N 3.03Å; V448-M450 PolarHBondContact O-N 3.41Å
449	R	47.1	Very low	41.1	Very low	229 Å²	229	122.2 Å²	122.2	86%	0.864	64%	0.643	S	S	*	*			trans	-74.7	107.5	165.8	-91.7	-177.6	173.8	168.3	-1.5	108.6	L447	L447-R449 PolarHBondContact O-N 2.81Å
450	M	47.3	Very low	42.4	Very low	70 Å²	70	118.2 Å²	118.2	35%	0.345	63%	0.631	S	S	.	*			trans	-60.7	139.6	171.4	-75.1	-151.5	-167.3	0	0	110.9	V448 V454 I473 P482	V448-M450 PolarHBondContact O-N 3.41Å; M450-V454 HydrophobicContact SD-CB 4.46Å; M450-V454 HydrophobicContact SD-CG1 3.92Å; M450-I473 HydrophobicContact CE-CD1 3.82Å; M450-I473 HydrophobicContact CE-CG1 4.12Å; M450-I473 HydrophobicContact CE-CG2 4.17Å; M450-I473 HydrophobicContact SD-CD1 4.11Å; M450-P482 HydrophobicContact CE-CB 4.26Å; M450-P482 HydrophobicContact CE-CG 4.03Å
451	R	51.9	Low	44	Very low	165 Å²	165	118.7 Å²	118.7	62%	0.623	63%	0.625	S	S	*	*			trans	-70.1	147.5	173	-84.3	-178.7	167.9	175.1	-5.2	110.7	E453 V454	R451-E453 PolarHBondContact O-N 2.85Å; R451-E453 VanDerWaalsContact O-N 3.08Å; R451-V454 PolarHBondContact O-N 3.13Å
452	A	47.3	Very low	45.5	Very low	79 Å²	79	114.3 Å²	114.3	65%	0.653	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	-20.1	174.2	0	0	0	0	0	113.9	N455	A452-N455 WeakPolarHBondContact O-CB 3.27Å; A452-N455 PolarHBondContact O-N 3.18Å
453	E	47.6	Very low	47.4	Very low	144 Å²	144	109.2 Å²	109.2	67%	0.673	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-26.2	176.3	-70	168.5	165	0	0	113.1	R451 N455	R451-E453 PolarHBondContact O-N 2.85Å; R451-E453 VanDerWaalsContact O-N 3.08Å; E453-N455 VanDerWaalsContact C-N 3.29Å
454	V	48.7	Very low	49.3	Very low	37 Å²	37	105.8 Å²	105.8	22%	0.224	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	-76	-22.1	175.3	-175	0	0	0	0	111	M450 R451 V456 L457 I473	M450-V454 HydrophobicContact SD-CB 4.46Å; M450-V454 HydrophobicContact SD-CG1 3.92Å; R451-V454 PolarHBondContact O-N 3.13Å; V454-V456 PolarHBondContact O-N 2.84Å; V454-L457 PolarHBondContact O-N 3.37Å; V454-I473 HydrophobicContact CG1-CD1 3.76Å
455	N	43.1	Very low	51.3	Low	74 Å²	74	102.9 Å²	102.9	40%	0.396	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-66.7	-20.9	178.1	-76.4	-16	0	0	0	113.7	A452 E453 L457 M458	A452-N455 WeakPolarHBondContact O-CB 3.27Å; A452-N455 PolarHBondContact O-N 3.18Å; E453-N455 VanDerWaalsContact C-N 3.29Å; N455-L457 VanDerWaalsContact C-N 3.33Å; N455-M458 HydrophobicContact CB-CE 3.66Å; N455-M458 HydrophobicContact CB-SD 4.48Å; N455-M458 VanDerWaalsContact CG-CE 3.49Å; N455-M458 WeakPolarHBondContact O-CB 3.43Å; N455-M458 PolarHBondContact O-N 3.12Å; N455-M458 WeakPolarHBondContact OD1-CE 3.5Å; N455-M458 PolarHBondContact OD1-SD 3.12Å
456	V	46.1	Very low	53	Low	112 Å²	112	95.4 Å²	95.4	68%	0.679	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-75.8	-25.7	-178.9	-175	0	0	0	0	111.5	V454	V454-V456 PolarHBondContact O-N 2.84Å
457	L	48.7	Very low	54.5	Low	84 Å²	84	97.1 Å²	97.1	44%	0.44	49%	0.49	S	S	.	.	S	Bend	trans	-91.6	-3.6	176.3	-68.1	165.3	0	0	0	113.1	V454 N455 F459 T462	V454-L457 PolarHBondContact O-N 3.37Å; N455-L457 VanDerWaalsContact C-N 3.33Å; L457-F459 VanDerWaalsContact C-N 3.26Å; L457-F459 PolarHBondContact O-N 3.43Å; L457-T462 PolarHBondContact O-OG1 2.81Å
458	M	46.6	Very low	55.9	Low	81 Å²	81	97 Å²	97	40%	0.399	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-20	-179.3	-78.2	-170.1	-38.3	0	0	113.8	N455	N455-M458 HydrophobicContact CB-CE 3.66Å; N455-M458 HydrophobicContact CB-SD 4.48Å; N455-M458 VanDerWaalsContact CG-CE 3.49Å; N455-M458 WeakPolarHBondContact O-CB 3.43Å; N455-M458 PolarHBondContact O-N 3.12Å; N455-M458 WeakPolarHBondContact OD1-CE 3.5Å; N455-M458 PolarHBondContact OD1-SD 3.12Å
459	F	47.9	Very low	56.9	Low	176 Å²	176	98 Å²	98	77%	0.772	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-24.7	-178.1	-76.2	-79.7	0	0	0	113.2	L457 L461	L457-F459 VanDerWaalsContact C-N 3.26Å; L457-F459 PolarHBondContact O-N 3.43Å; F459-L461 PolarHBondContact O-N 2.86Å
460	D	57.1	Low	58	Low	116 Å²	116	89.6 Å²	89.6	62%	0.62	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	6.3	-169.4	-67.9	-12.9	0	0	0	113.9	T462	D460-T462 HydrophobicContact CB-CG2 3.85Å; D460-T462 PolarHBondContact O-N 3.38Å
461	L	61.8	Low	59.2	Low	119 Å²	119	86.7 Å²	86.7	62%	0.623	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	31.7	-176.4	-67.8	165	0	0	0	112.8	F459 P475	F459-L461 PolarHBondContact O-N 2.86Å; L461-P475 HydrophobicContact CD2-CB 3.83Å; L461-P475 HydrophobicContact CD2-CG 4.49Å
462	T	62	Low	60.3	Low	44 Å²	44	79 Å²	79	27%	0.27	41%	0.411	S	S	.	.			trans	-89.4	141.5	-179.4	50.8	0	0	0	0	111.8	L457 D460 N528	L457-T462 PolarHBondContact O-OG1 2.81Å; D460-T462 HydrophobicContact CB-CG2 3.85Å; D460-T462 PolarHBondContact O-N 3.38Å; T462-N528 VanDerWaalsContact CB-ND2 3.29Å; T462-N528 WeakPolarHBondContact CB-ND2 3.38Å
463	T	67	Low	61.6	Low	17 Å²	17	75.7 Å²	75.7	10%	0.104	38%	0.383	C	S	.	.			trans	-73	132.7	168	24.6	0	0	0	0	110.1	M474 F507 N528	T463-M474 HydrophobicContact CG2-CB 4.42Å; T463-M474 HydrophobicContact CG2-CG 3.88Å; T463-F507 HydrophobicContact CG2-CE1 4.43Å; T463-N528 PolarHBondContact N-ND2 3.34Å; T463-N528 PolarHBondContact O-ND2 2.86Å
464	C	69.9	Low	62.7	Low	31 Å²	31	70.6 Å²	70.6	21%	0.209	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155	175.4	65	0	0	0	0	111.4	I473	C464-I473 PolarHBondContact N-O 2.86Å; C464-I473 PolarHBondContact O-N 3.14Å; C464-I473 VanDerWaalsContact SG-CB 3.56Å
465	L	72	Confident	63.6	Low	41 Å²	41	71 Å²	71	22%	0.215	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.2	-173.7	-172.3	69.8	0	0	0	109.5	L485 L535 I536 M539	L465-L485 HydrophobicContact CD1-CD1 3.9Å; L465-L535 HydrophobicContact CD2-CB 3.42Å; L465-L535 VanDerWaalsContact CD2-CB 3.42Å; L465-L535 HydrophobicContact CD2-CD1 4.26Å; L465-L535 HydrophobicContact CD2-CG 4.39Å; L465-I536 HydrophobicContact CD1-CG1 4.32Å; L465-M539 HydrophobicContact CD1-CE 3.46Å; L465-M539 VanDerWaalsContact CD1-CE 3.46Å; L465-M539 HydrophobicContact CD2-CE 3.47Å; L465-M539 VanDerWaalsContact CD2-CE 3.47Å; L465-M539 HydrophobicContact CG-CE 3.39Å
466	D	72.9	Confident	64.7	Low	43 Å²	43	71.3 Å²	71.3	23%	0.23	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	96.6	171.4	-173	-14.4	0	0	0	109.1	K468 H469 E470 A471	D466-K468 PolarHBondContact O-N 3.01Å; D466-K468 WeakPolarHBondContact OD1-CB 3.21Å; D466-K468 PolarHBondContact OD1-N 3.15Å; D466-H469 PolarHBondContact OD1-N 3.47Å; D466-H469 IonicContact OD1-ND1 3.65Å; D466-H469 PolarHBondContact OD1-ND1 3.17Å; D466-H469 IonicContact OD2-CE1 3.58Å; D466-H469 IonicContact OD2-CG 2.72Å; D466-H469 IonicContact OD2-ND1 3.42Å; D466-H469 PolarHBondContact OD2-ND1 2.98Å; D466-E470 PolarHBondContact O-N 2.98Å; D466-A471 PolarHBondContact N-O 3.27Å; D466-A471 PolarHBondContact O-N 2.94Å
467	E	71.8	Confident	65.5	Low	143 Å²	143	71 Å²	71	67%	0.668	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.1	179	-64.4	-177	171.9	0	0	113.1	M539	E467-M539 HydrophobicContact CB-CE 4.47Å; E467-M539 HydrophobicContact CG-CE 4.2Å
468	K	70.8	Confident	66.3	Low	159 Å²	159	70 Å²	70	69%	0.691	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-34.8	-174.6	-169.9	179.9	179.9	-177.3	0	112.1	D466	D466-K468 PolarHBondContact O-N 3.01Å; D466-K468 WeakPolarHBondContact OD1-CB 3.21Å; D466-K468 PolarHBondContact OD1-N 3.15Å
469	H	67.4	Low	67.1	Low	94 Å²	94	69.7 Å²	69.7	44%	0.435	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	7.1	-179.6	-57.9	99.9	0	0	0	113.3	D466 A471	D466-H469 PolarHBondContact OD1-N 3.47Å; D466-H469 IonicContact OD1-ND1 3.65Å; D466-H469 PolarHBondContact OD1-ND1 3.17Å; D466-H469 IonicContact OD2-CE1 3.58Å; D466-H469 IonicContact OD2-CG 2.72Å; D466-H469 IonicContact OD2-ND1 3.42Å; D466-H469 PolarHBondContact OD2-ND1 2.98Å; H469-A471 PolarHBondContact O-N 3.04Å
470	E	70.8	Confident	68.1	Low	52 Å²	52	63.5 Å²	63.5	24%	0.243	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	40.1	177.5	-62.8	174.8	169.6	0	0	112	D466 L485 F486 M539 F543	D466-E470 PolarHBondContact O-N 2.98Å; E470-L485 PolarHBondContact O-N 3.44Å; E470-F486 HydrophobicContact CB-CD2 4.14Å; E470-M539 HydrophobicContact CB-SD 4.29Å; E470-M539 HydrophobicContact CG-SD 4.35Å; E470-F543 WeakPolarHBondContact OE2-CE2 3.26Å
471	A	71.2	Confident	68.7	Low	10 Å²	10	60.5 Å²	60.5	8%	0.083	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.8	-172.6	0	0	0	0	0	111.7	D466 H469 V483	D466-A471 PolarHBondContact N-O 3.27Å; D466-A471 PolarHBondContact O-N 2.94Å; H469-A471 PolarHBondContact O-N 3.04Å; A471-V483 CarbonylContact C-O 3.49Å; A471-V483 VanDerWaalsContact CA-O 3.29Å; A471-V483 WeakPolarHBondContact CA-O 3.24Å
472	I	75.1	Confident	69	Low	2 Å²	2	58 Å²	58	1%	0.01	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.1	169.4	-169.6	157.3	0	0	0	109.6	M474 P482 V483 L485 F507 I536	I472-M474 HydrophobicContact CD1-CG 4.5Å; I472-M474 HydrophobicContact CG1-CG 4.02Å; I472-M474 HydrophobicContact CG2-CE 4.14Å; I472-M474 HydrophobicContact CG2-CG 4.23Å; I472-M474 HydrophobicContact CG2-SD 4.42Å; I472-P482 CarbonylContact O-C 3.51Å; I472-P482 WeakPolarHBondContact O-CA 3.21Å; I472-V483 HydrophobicContact CG2-CB 3.88Å; I472-V483 PolarHBondContact N-O 3.21Å; I472-V483 PolarHBondContact O-N 3.42Å; I472-L485 HydrophobicContact CB-CD1 4.26Å; I472-L485 HydrophobicContact CB-CD2 4.15Å; I472-L485 HydrophobicContact CB-CG 4.25Å; I472-L485 HydrophobicContact CG2-CD2 3.71Å; I472-L485 HydrophobicContact CG2-CG 4.16Å; I472-F507 HydrophobicContact CD1-CE2 4.11Å; I472-F507 HydrophobicContact CD1-CZ 3.54Å; I472-I536 HydrophobicContact CD1-CD1 3.65Å; I472-I536 HydrophobicContact CD1-CG1 4.36Å
473	I	74.4	Confident	69.3	Low	10 Å²	10	58 Å²	58	5%	0.051	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.9	176.4	-59.1	171.8	0	0	0	107	M450 V454 C464 P482	M450-I473 HydrophobicContact CE-CD1 3.82Å; M450-I473 HydrophobicContact CE-CG1 4.12Å; M450-I473 HydrophobicContact CE-CG2 4.17Å; M450-I473 HydrophobicContact SD-CD1 4.11Å; V454-I473 HydrophobicContact CG1-CD1 3.76Å; C464-I473 PolarHBondContact N-O 2.86Å; C464-I473 PolarHBondContact O-N 3.14Å; C464-I473 VanDerWaalsContact SG-CB 3.56Å; I473-P482 HydrophobicContact CG1-CB 4.27Å
474	M	71	Confident	69.2	Low	37 Å²	37	59.9 Å²	59.9	18%	0.182	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.4	-178.8	-64.9	-168.8	-72.9	0	0	110.7	T463 I472 I476 V481 V483 F507	T463-M474 HydrophobicContact CG2-CB 4.42Å; T463-M474 HydrophobicContact CG2-CG 3.88Å; I472-M474 HydrophobicContact CD1-CG 4.5Å; I472-M474 HydrophobicContact CG1-CG 4.02Å; I472-M474 HydrophobicContact CG2-CE 4.14Å; I472-M474 HydrophobicContact CG2-CG 4.23Å; I472-M474 HydrophobicContact CG2-SD 4.42Å; M474-I476 PolarHBondContact O-N 3.45Å; M474-V481 PolarHBondContact N-O 2.84Å; M474-V481 PolarHBondContact O-N 3.3Å; M474-V483 HydrophobicContact CE-CB 4.14Å; M474-V483 HydrophobicContact CE-CG2 3.67Å; M474-F507 HydrophobicContact SD-CE2 4.47Å; M474-F507 HydrophobicContact SD-CZ 3.95Å
475	P	67.9	Low	68.9	Low	45 Å²	45	59.7 Å²	59.7	29%	0.292	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	105	170.7	29	-31.1	0	0	0	109.9	L461 S479	L461-P475 HydrophobicContact CD2-CB 3.83Å; L461-P475 HydrophobicContact CD2-CG 4.49Å; P475-S479 CarbonylContact C-O 3.37Å; P475-S479 WeakPolarHBondContact CA-O 3.37Å
476	I	65.8	Low	68.4	Low	82 Å²	82	59.6 Å²	59.6	42%	0.421	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.3	172.6	-57	179.8	0	0	0	107.4	M474 G478 S479 V481	M474-I476 PolarHBondContact O-N 3.45Å; I476-G478 PolarHBondContact O-N 3.01Å; I476-S479 PolarHBondContact N-O 3.11Å; I476-S479 PolarHBondContact O-N 2.91Å; I476-V481 HydrophobicContact CB-CG2 4.07Å; I476-V481 HydrophobicContact CD1-CB 3.92Å; I476-V481 HydrophobicContact CD1-CG1 4.2Å; I476-V481 HydrophobicContact CD1-CG2 4.1Å; I476-V481 HydrophobicContact CG1-CB 4.27Å; I476-V481 HydrophobicContact CG1-CG2 4.25Å
477	A	63.7	Low	67.5	Low	106 Å²	106	64.3 Å²	64.3	88%	0.876	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.2	-178.8	0	0	0	0	0	114.1	S479	A477-S479 VanDerWaalsContact C-N 3.25Å; A477-S479 PolarHBondContact O-N 2.86Å
478	G	66.2	Low	66.1	Low	61 Å²	61	67.4 Å²	67.4	63%	0.629	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-1.7	-178.6	0	0	0	0	0	115.1	I476	I476-G478 PolarHBondContact O-N 3.01Å
479	S	63.4	Low	64.5	Low	75 Å²	75	62.7 Å²	62.7	52%	0.524	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.6	173.1	-62.3	0	0	0	0	110.5	P475 I476 A477 V481	P475-S479 CarbonylContact C-O 3.37Å; P475-S479 WeakPolarHBondContact CA-O 3.37Å; I476-S479 PolarHBondContact N-O 3.11Å; I476-S479 PolarHBondContact O-N 2.91Å; A477-S479 VanDerWaalsContact C-N 3.25Å; A477-S479 PolarHBondContact O-N 2.86Å; S479-V481 PolarHBondContact O-N 3.02Å
480	S	67.5	Low	62.6	Low	46 Å²	46	67.9 Å²	67.9	32%	0.322	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	108.1	175.8	-68.4	0	0	0	0	110.1
481	V	69.7	Low	60.9	Low	53 Å²	53	71.9 Å²	71.9	32%	0.321	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.9	-177	-178.6	0	0	0	0	109.9	M474 I476 S479 V483	M474-V481 PolarHBondContact N-O 2.84Å; M474-V481 PolarHBondContact O-N 3.3Å; I476-V481 HydrophobicContact CB-CG2 4.07Å; I476-V481 HydrophobicContact CD1-CB 3.92Å; I476-V481 HydrophobicContact CD1-CG1 4.2Å; I476-V481 HydrophobicContact CD1-CG2 4.1Å; I476-V481 HydrophobicContact CG1-CB 4.27Å; I476-V481 HydrophobicContact CG1-CG2 4.25Å; S479-V481 PolarHBondContact O-N 3.02Å; V481-V483 HydrophobicContact CG1-CG2 4.42Å
482	P	69	Low	58.9	Low	67 Å²	67	79.7 Å²	79.7	44%	0.435	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.1	170.3	29.7	-31.3	0	0	0	110.6	M450 I472 I473	M450-P482 HydrophobicContact CE-CB 4.26Å; M450-P482 HydrophobicContact CE-CG 4.03Å; I472-P482 CarbonylContact O-C 3.51Å; I472-P482 WeakPolarHBondContact O-CA 3.21Å; I473-P482 HydrophobicContact CG1-CB 4.27Å
483	V	67.5	Low	56.8	Low	45 Å²	45	91.3 Å²	91.3	27%	0.273	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117	176.6	179.8	0	0	0	0	108.2	A471 I472 M474 V481 L485	A471-V483 CarbonylContact C-O 3.49Å; A471-V483 VanDerWaalsContact CA-O 3.29Å; A471-V483 WeakPolarHBondContact CA-O 3.24Å; I472-V483 HydrophobicContact CG2-CB 3.88Å; I472-V483 PolarHBondContact N-O 3.21Å; I472-V483 PolarHBondContact O-N 3.42Å; M474-V483 HydrophobicContact CE-CB 4.14Å; M474-V483 HydrophobicContact CE-CG2 3.67Å; V481-V483 HydrophobicContact CG1-CG2 4.42Å; V483-L485 PolarHBondContact O-N 2.99Å
484	A	65.8	Low	54.7	Low	56 Å²	56	95.4 Å²	95.4	46%	0.463	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	131.4	175.3	0	0	0	0	0	110	K487	A484-K487 HydrophobicContact CB-CB 4.49Å
485	L	63.3	Low	52.6	Low	26 Å²	26	98 Å²	98	14%	0.136	55%	0.548	C	S	.	.	S	Bend	trans	-86.8	-28.6	-176.4	-70.5	172	0	0	0	113	L465 E470 I472 V483 I503 I536 M539	L465-L485 HydrophobicContact CD1-CD1 3.9Å; E470-L485 PolarHBondContact O-N 3.44Å; I472-L485 HydrophobicContact CB-CD1 4.26Å; I472-L485 HydrophobicContact CB-CD2 4.15Å; I472-L485 HydrophobicContact CB-CG 4.25Å; I472-L485 HydrophobicContact CG2-CD2 3.71Å; I472-L485 HydrophobicContact CG2-CG 4.16Å; V483-L485 PolarHBondContact O-N 2.99Å; L485-I503 HydrophobicContact CD2-CD1 4.22Å; L485-I536 HydrophobicContact CD1-CG1 4.27Å; L485-M539 HydrophobicContact CD1-SD 4.4Å
486	F	61.7	Low	51	Low	39 Å²	39	101 Å²	101	17%	0.171	56%	0.56	C	S	.	*	S	Bend	trans	-129.8	3.6	-164.5	-54.1	-57.9	0	0	0	116.1	E470 M539 Q540 F543	E470-F486 HydrophobicContact CB-CD2 4.14Å; F486-M539 HydrophobicContact CD2-CG 4.43Å; F486-M539 HydrophobicContact CD2-SD 4.2Å; F486-M539 HydrophobicContact CE2-CB 4.07Å; F486-M539 HydrophobicContact CE2-CG 3.64Å; F486-M539 HydrophobicContact CE2-SD 3.55Å; F486-M539 VanDerWaalsContact CE2-SD 3.55Å; F486-M539 HydrophobicContact CZ-CB 4.4Å; F486-M539 HydrophobicContact CZ-CG 4.43Å; F486-Q540 HydrophobicContact CE1-CB 4.38Å; F486-Q540 HydrophobicContact CE1-CG 3.4Å; F486-Q540 VanDerWaalsContact CE1-CG 3.4Å; F486-Q540 HydrophobicContact CZ-CB 4.39Å; F486-Q540 HydrophobicContact CZ-CG 3.56Å; F486-F543 HydrophobicContact CB-CD1 3.96Å; F486-F543 HydrophobicContact CB-CD2 3.75Å; F486-F543 HydrophobicContact CB-CE1 3.84Å; F486-F543 HydrophobicContact CB-CE2 3.61Å; F486-F543 HydrophobicContact CB-CG 3.92Å; F486-F543 HydrophobicContact CB-CZ 3.66Å; F486-F543 HydrophobicContact CD1-CD1 4.36Å; F486-F543 HydrophobicContact CD1-CG 4.45Å; F486-F543 HydrophobicContact CD2-CB 4.34Å; F486-F543 HydrophobicContact CD2-CD2 4.2Å; F486-F543 HydrophobicContact CD2-CG 4.21Å; F486-F543 HydrophobicContact CG-CB 4.37Å; F486-F543 HydrophobicContact CG-CD1 4.14Å; F486-F543 HydrophobicContact CG-CD2 4.07Å; F486-F543 HydrophobicContact CG-CE1 4.5Å; F486-F543 HydrophobicContact CG-CE2 4.43Å; F486-F543 AromaticContact CG-CG 3.91Å; F486-F543 HydrophobicContact CG-CG 3.91Å
487	K	53.2	Low	49.3	Very low	142 Å²	142	100.7 Å²	100.7	62%	0.617	57%	0.565	S	S	*	*			trans	-82.6	124.2	171.9	-78.8	-176.4	175.3	178.8	0	110.4	A484 T489	A484-K487 HydrophobicContact CB-CB 4.49Å; K487-T489 HydrophobicContact CB-CG2 4.45Å; K487-T489 PolarHBondContact O-N 3.49Å; K487-T489 PolarHBondContact O-OG1 2.91Å
488	K	42	Very low	47.7	Very low	209 Å²	209	98.9 Å²	98.9	91%	0.909	56%	0.557	S	S	*	*			trans	-59.5	102.9	165.4	-88	-178.2	174.6	178.9	0	108.2
489	T	37.9	Very low	46.2	Very low	59 Å²	59	98.5 Å²	98.5	36%	0.362	54%	0.544	S	S	.	.			trans	-123.4	116.6	173.5	41.2	0	0	0	0	108.1	K487 Y491	K487-T489 HydrophobicContact CB-CG2 4.45Å; K487-T489 PolarHBondContact O-N 3.49Å; K487-T489 PolarHBondContact O-OG1 2.91Å; T489-Y491 HydrophobicContact CG2-CD2 4.31Å; T489-Y491 HydrophobicContact CG2-CE2 3.55Å; T489-Y491 PolarHBondContact O-N 2.84Å; T489-Y491 WeakPolarHBondContact OG1-CD2 3.21Å; T489-Y491 WeakPolarHBondContact OG1-CE2 3.46Å
490	E	28.5	Very low	45.4	Very low	203 Å²	203	103 Å²	103	95%	0.949	55%	0.55	S	S	*	.			trans	-63.9	83.5	165.2	-74.4	171.7	166.3	0	0	109.2
491	Y	35	Very low	44	Very low	137 Å²	137	110.3 Å²	110.3	54%	0.537	57%	0.57	S	S	.	*			trans	-97	82.5	172.5	-71.6	-60.2	0	0	0	110.1	T489	T489-Y491 HydrophobicContact CG2-CD2 4.31Å; T489-Y491 HydrophobicContact CG2-CE2 3.55Å; T489-Y491 PolarHBondContact O-N 2.84Å; T489-Y491 WeakPolarHBondContact OG1-CD2 3.21Å; T489-Y491 WeakPolarHBondContact OG1-CE2 3.46Å
492	Q	29.1	Very low	42.8	Very low	173 Å²	173	111.4 Å²	111.4	81%	0.808	57%	0.572	S	S	*	*			trans	-94.7	-1.4	169.7	-106.9	180	4.3	0	0	113.6
493	R	30.3	Very low	41.7	Very low	247 Å²	247	110.9 Å²	110.9	93%	0.932	57%	0.565	S	S	*	*	S	Bend	trans	-118.5	-5.2	-170	-79.3	-175.7	177.6	175.7	0.7	117.5
494	V	29.3	Very low	40.5	Very low	96 Å²	96	114.9 Å²	114.9	58%	0.582	58%	0.58	S	S	*	*	S	Bend	trans	-118.2	129.8	166.3	-175.3	0	0	0	0	103.9	I496	V494-I496 PolarHBondContact O-N 2.9Å
495	G	28.1	Very low	39.5	Very low	92 Å²	92	116.6 Å²	116.6	95%	0.948	58%	0.579	S	S	*	*	S	Bend	trans	-62.7	31.3	-169.3	0	0	0	0	0	117.3
496	I	33.7	Very low	38.7	Very low	108 Å²	108	119.9 Å²	119.9	55%	0.554	60%	0.596	S	S	*	*			trans	-108.7	84	170.1	-53.5	172.5	0	0	0	105.5	V494 G498	V494-I496 PolarHBondContact O-N 2.9Å; I496-G498 PolarHBondContact O-N 3.06Å
497	S	31.3	Very low	38	Very low	75 Å²	75	119.8 Å²	119.8	52%	0.524	60%	0.596	S	S	.	*			trans	-58.4	105.3	172.6	168.9	0	0	0	0	108.9	S499 H502	S497-S499 VanDerWaalsContact C-N 3.27Å; S497-S499 PolarHBondContact O-N 3.09Å; S497-H502 PolarHBondContact O-ND1 3.37Å
498	G	28.6	Very low	37.6	Very low	67 Å²	67	114.7 Å²	114.7	69%	0.691	58%	0.583	S	S	*	*			trans	-69.2	80.3	178.3	0	0	0	0	0	111.1	I496	I496-G498 PolarHBondContact O-N 3.06Å
499	S	36.1	Very low	37.7	Very low	53 Å²	53	113.7 Å²	113.7	37%	0.371	57%	0.574	S	S	.	*			trans	-114.9	135.7	161.2	-172.7	0	0	0	0	107.9	S497 R501 H502	S497-S499 VanDerWaalsContact C-N 3.27Å; S497-S499 PolarHBondContact O-N 3.09Å; S499-R501 PolarHBondContact O-N 3.19Å; S499-H502 PolarHBondContact O-N 2.85Å
500	R	45	Very low	38.2	Very low	170 Å²	170	113.9 Å²	113.9	64%	0.642	58%	0.575	S	S	*	*	H	α-helix	trans	-45.2	-21.5	178.8	-76.8	172.9	165.6	173.3	-4	113.8	E868	R500-E868 IonicContact NH1-OE1 2.75Å; R500-E868 IonicContact NH1-OE2 3.78Å
501	R	39.2	Very low	38.9	Very low	199 Å²	199	108 Å²	108	75%	0.751	55%	0.546	S	S	*	.	H	α-helix	trans	-76.2	-31	177.9	-60.3	-179.5	-170.7	165.7	4.6	114	S499 I503 H504 E505	S499-R501 PolarHBondContact O-N 3.19Å; R501-I503 PolarHBondContact O-N 3.14Å; R501-H504 PolarHBondContact O-N 3.18Å; R501-E505 PolarHBondContact O-N 2.97Å
502	H	43.3	Very low	39.4	Very low	77 Å²	77	112.2 Å²	112.2	36%	0.356	56%	0.561	S	S	.	*	H	α-helix	trans	-72.5	-31.1	-173.6	-75.7	113.7	0	0	0	114.2	S497 S499 H504 E505 L506	S497-H502 PolarHBondContact O-ND1 3.37Å; S499-H502 PolarHBondContact O-N 2.85Å; H502-H504 VanDerWaalsContact C-N 3.34Å; H502-E505 IonicContact CD2-OE2 3.76Å; H502-E505 PolarHBondContact O-N 3.33Å; H502-L506 WeakPolarHBondContact O-CB 3.15Å; H502-L506 WeakPolarHBondContact O-CD1 3.34Å; H502-L506 WeakPolarHBondContact O-CG 3.3Å; H502-L506 PolarHBondContact O-N 2.79Å
503	I	46.3	Very low	40.3	Very low	55 Å²	55	108 Å²	108	28%	0.282	55%	0.551	S	S	.	*	H	α-helix	trans	-66.8	-40.8	177.2	-62.6	175.5	0	0	0	109.8	L485 R501 E505 L506 F507	L485-I503 HydrophobicContact CD2-CD1 4.22Å; R501-I503 PolarHBondContact O-N 3.14Å; I503-E505 VanDerWaalsContact C-N 3.31Å; I503-E505 PolarHBondContact O-N 3.42Å; I503-L506 PolarHBondContact O-N 3.37Å; I503-F507 HydrophobicContact CG2-CD2 3.64Å; I503-F507 HydrophobicContact CG2-CE2 3.5Å; I503-F507 WeakPolarHBondContact O-CD2 3.44Å; I503-F507 PolarHBondContact O-N 2.96Å
504	H	42.9	Very low	41.3	Very low	130 Å²	130	99.2 Å²	99.2	60%	0.602	53%	0.525	S	S	*	.	H	α-helix	trans	-68.4	-30.4	176.9	-156.5	-63.4	0	0	0	112.4	R501 H502 G508	R501-H504 PolarHBondContact O-N 3.18Å; H502-H504 VanDerWaalsContact C-N 3.34Å; H504-G508 PolarHBondContact O-N 3.18Å
505	E	44.5	Very low	42.4	Very low	92 Å²	92	99.2 Å²	99.2	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-75.6	-37.3	171.4	-74.8	-174.2	161.6	0	0	113.2	R501 H502 I503 G508 R509	R501-E505 PolarHBondContact O-N 2.97Å; H502-E505 IonicContact CD2-OE2 3.76Å; H502-E505 PolarHBondContact O-N 3.33Å; I503-E505 VanDerWaalsContact C-N 3.31Å; I503-E505 PolarHBondContact O-N 3.42Å; E505-G508 PolarHBondContact O-N 3.45Å; E505-R509 VanDerWaalsContact O-CB 3.3Å; E505-R509 WeakPolarHBondContact O-CB 3.41Å; E505-R509 VanDerWaalsContact O-CG 3.25Å; E505-R509 WeakPolarHBondContact O-CG 3.31Å; E505-R509 PolarHBondContact O-N 3.08Å
506	L	47.7	Very low	43.6	Very low	95 Å²	95	100.1 Å²	100.1	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-62.6	-46.7	174.6	-90.7	153.7	0	0	0	111	H502 I503 T510	H502-L506 WeakPolarHBondContact O-CB 3.15Å; H502-L506 WeakPolarHBondContact O-CD1 3.34Å; H502-L506 WeakPolarHBondContact O-CG 3.3Å; H502-L506 PolarHBondContact O-N 2.79Å; I503-L506 PolarHBondContact O-N 3.37Å; L506-T510 PolarHBondContact O-N 3.31Å; L506-T510 VanDerWaalsContact O-N 3.13Å; L506-T510 PolarHBondContact O-OG1 2.93Å
507	F	46.1	Very low	44.5	Very low	37 Å²	37	101.6 Å²	101.6	16%	0.162	51%	0.511	C	S	.	.	H	α-helix	trans	-64.8	-40.3	172.3	-78.5	-66.5	0	0	0	111.7	T463 I472 M474 I503 T510 F511 L529 I536	T463-F507 HydrophobicContact CG2-CE1 4.43Å; I472-F507 HydrophobicContact CD1-CE2 4.11Å; I472-F507 HydrophobicContact CD1-CZ 3.54Å; M474-F507 HydrophobicContact SD-CE2 4.47Å; M474-F507 HydrophobicContact SD-CZ 3.95Å; I503-F507 HydrophobicContact CG2-CD2 3.64Å; I503-F507 HydrophobicContact CG2-CE2 3.5Å; I503-F507 WeakPolarHBondContact O-CD2 3.44Å; I503-F507 PolarHBondContact O-N 2.96Å; F507-T510 WeakPolarHBondContact CA-OG1 3.25Å; F507-T510 PolarHBondContact O-OG1 2.82Å; F507-F511 VanDerWaalsContact O-CB 3.23Å; F507-F511 WeakPolarHBondContact O-CB 3.37Å; F507-F511 PolarHBondContact O-N 2.94Å; F507-L529 HydrophobicContact CD1-CD2 3.95Å; F507-L529 HydrophobicContact CE1-CD2 3.9Å; F507-I536 HydrophobicContact CE2-CD1 4.17Å; F507-I536 HydrophobicContact CZ-CD1 4.42Å
508	G	45.6	Very low	45.8	Very low	35 Å²	35	104.7 Å²	104.7	36%	0.361	52%	0.517	S	S	.	.	H	α-helix	trans	-67.2	-35	177.9	0	0	0	0	0	114.7	H504 E505	H504-G508 PolarHBondContact O-N 3.18Å; E505-G508 PolarHBondContact O-N 3.45Å
509	R	43.9	Very low	46.5	Very low	187 Å²	187	108 Å²	108	71%	0.706	53%	0.526	S	S	*	.	H	α-helix	trans	-75.9	-37.4	178.1	-74.6	178.1	-176.5	-170	4.5	112.2	E505	E505-R509 VanDerWaalsContact O-CB 3.3Å; E505-R509 WeakPolarHBondContact O-CB 3.41Å; E505-R509 VanDerWaalsContact O-CG 3.25Å; E505-R509 WeakPolarHBondContact O-CG 3.31Å; E505-R509 PolarHBondContact O-N 3.08Å
510	T	48.4	Very low	47.8	Very low	64 Å²	64	109.2 Å²	109.2	39%	0.393	55%	0.547	S	S	.	.	H	α-helix	trans	-72.9	-33.2	173.8	39.4	0	0	0	0	112.7	L506 F507 R512 S513 T514	L506-T510 PolarHBondContact O-N 3.31Å; L506-T510 VanDerWaalsContact O-N 3.13Å; L506-T510 PolarHBondContact O-OG1 2.93Å; F507-T510 WeakPolarHBondContact CA-OG1 3.25Å; F507-T510 PolarHBondContact O-OG1 2.82Å; T510-R512 PolarHBondContact O-N 3.4Å; T510-R512 VanDerWaalsContact O-N 3.16Å; T510-S513 PolarHBondContact O-N 3.39Å; T510-S513 PolarHBondContact O-OG 3.18Å; T510-T514 PolarHBondContact O-OG1 2.7Å
511	F	43.3	Very low	48.3	Very low	78 Å²	78	105.7 Å²	105.7	34%	0.342	54%	0.538	S	S	.	.	H	α-helix	trans	-58.7	-28.1	178.4	-158.9	-96.4	0	0	0	114.2	F507 L529 I530	F507-F511 VanDerWaalsContact O-CB 3.23Å; F507-F511 WeakPolarHBondContact O-CB 3.37Å; F507-F511 PolarHBondContact O-N 2.94Å; F511-L529 HydrophobicContact CD2-CB 4.29Å; F511-L529 HydrophobicContact CD2-CD1 4.24Å; F511-I530 HydrophobicContact CE2-CD1 4.32Å; F511-I530 HydrophobicContact CE2-CG1 3.82Å; F511-I530 HydrophobicContact CZ-CD1 4.16Å; F511-I530 HydrophobicContact CZ-CG1 4.09Å
512	R	45.5	Very low	49.3	Very low	227 Å²	227	104 Å²	104	86%	0.857	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-18.6	-177.1	-68.6	-175.6	176.3	-173.9	-0.6	113.8	T510	T510-R512 PolarHBondContact O-N 3.4Å; T510-R512 VanDerWaalsContact O-N 3.16Å
513	S	47.8	Very low	50	Low	83 Å²	83	105.2 Å²	105.2	58%	0.58	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-22.8	-173.7	59.2	0	0	0	0	114.4	T510	T510-S513 PolarHBondContact O-N 3.39Å; T510-S513 PolarHBondContact O-OG 3.18Å
514	T	51.6	Low	50.7	Low	64 Å²	64	104.8 Å²	104.8	39%	0.393	55%	0.553	S	S	.	*	S	Bend	trans	-111.3	13.9	-173.6	54.1	0	0	0	0	114.6	T510 V516	T510-T514 PolarHBondContact O-OG1 2.7Å; T514-V516 PolarHBondContact O-N 2.64Å
515	N	52.4	Low	51.4	Low	96 Å²	96	101.6 Å²	101.6	51%	0.513	54%	0.544	S	S	.	.			trans	-80	30.3	-177.8	-139.9	26.3	0	0	0	113.4	S526	N515-S526 WeakPolarHBondContact OD1-CB 3.38Å; N515-S526 PolarHBondContact OD1-OG 3.03Å
516	V	53.1	Low	52.3	Low	111 Å²	111	97.6 Å²	97.6	67%	0.673	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-97.5	126	177.1	-177.3	0	0	0	0	108.1	T514	T514-V516 PolarHBondContact O-N 2.64Å
517	K	52.8	Low	53.2	Low	138 Å²	138	97.2 Å²	97.2	60%	0.6	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-89.6	117.5	177.6	-175.5	179.3	-176.2	177	0	109	E521	K517-E521 WeakPolarHBondContact CE-O 3.26Å
518	E	57.4	Low	54.3	Low	140 Å²	140	98 Å²	98	65%	0.654	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-71.4	145.7	167.9	-67.7	-135.2	161.6	0	0	110.4	G520 E521	E518-G520 PolarHBondContact O-N 2.97Å; E518-E521 PolarHBondContact O-N 3.49Å
519	P	44.2	Very low	55.3	Low	137 Å²	137	97.6 Å²	97.6	89%	0.89	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	96.1	179.1	-12.5	26.9	0	0	0	110.7
520	G	62.2	Low	56.4	Low	78 Å²	78	91.9 Å²	91.9	80%	0.804	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	145.8	-20.4	179.4	0	0	0	0	0	115	E518	E518-G520 PolarHBondContact O-N 2.97Å
521	E	57.1	Low	57.5	Low	97 Å²	97	92.5 Å²	92.5	45%	0.453	51%	0.506	S	S	.	.			trans	-86	134.7	-179.8	-69.3	-175.6	153.7	0	0	112.6	K517 E518	K517-E521 WeakPolarHBondContact CE-O 3.26Å; E518-E521 PolarHBondContact O-N 3.49Å
522	L	58.5	Low	58.7	Low	163 Å²	163	89.2 Å²	89.2	85%	0.853	49%	0.493	S	S	*	.	S	Bend	trans	-71.8	-33.8	179.1	-87.5	153.3	0	0	0	112.6
523	N	57.9	Low	59.7	Low	102 Å²	102	80.9 Å²	80.9	55%	0.545	47%	0.469	S	S	.	.	S	Bend	trans	-133.4	141.5	-174.8	-67.7	-41.6	0	0	0	111	L527	N523-L527 HydrophobicContact CB-CD2 4.35Å
524	P	61.4	Low	61	Low	46 Å²	46	83.4 Å²	83.4	30%	0.299	47%	0.47	S	S	.	.			trans	-69.9	149.3	174.6	29.5	-33.7	0	0	0	111.1	S526 L527	P524-S526 WeakPolarHBondContact CB-OG 3.36Å; P524-S526 WeakPolarHBondContact CG-OG 3.5Å; P524-S526 PolarHBondContact O-N 3.09Å; P524-L527 PolarHBondContact O-N 2.74Å
525	P	59	Low	62.1	Low	63 Å²	63	83.3 Å²	83.3	41%	0.409	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-20.8	175.4	-27.3	34.1	0	0	0	114.4	L527	P525-L527 VanDerWaalsContact C-N 3.27Å; P525-L527 PolarHBondContact O-N 3.38Å
526	S	61.9	Low	63.1	Low	9 Å²	9	79.5 Å²	79.5	6%	0.063	45%	0.446	C	S	.	.	H	α-helix	trans	-65.2	-21.4	176.3	53.6	0	0	0	0	114.4	N515 P524 N528 L529 I530	N515-S526 WeakPolarHBondContact OD1-CB 3.38Å; N515-S526 PolarHBondContact OD1-OG 3.03Å; P524-S526 WeakPolarHBondContact CB-OG 3.36Å; P524-S526 WeakPolarHBondContact CG-OG 3.5Å; P524-S526 PolarHBondContact O-N 3.09Å; S526-N528 PolarHBondContact O-N 3.49Å; S526-L529 PolarHBondContact O-N 3.48Å; S526-I530 WeakPolarHBondContact O-CG1 3.45Å; S526-I530 PolarHBondContact O-N 3.13Å
527	L	67.1	Low	64.1	Low	86 Å²	86	80.4 Å²	80.4	45%	0.45	44%	0.441	S	S	.	.	H	α-helix	trans	-66.4	-37.8	179	-156.4	87.1	0	0	0	112.2	N523 P524 P525 L529 I530 T531	N523-L527 HydrophobicContact CB-CD2 4.35Å; P524-L527 PolarHBondContact O-N 2.74Å; P525-L527 VanDerWaalsContact C-N 3.27Å; P525-L527 PolarHBondContact O-N 3.38Å; L527-L529 VanDerWaalsContact C-N 3.35Å; L527-I530 PolarHBondContact O-N 3.01Å; L527-T531 PolarHBondContact O-N 3.35Å; L527-T531 PolarHBondContact O-OG1 2.63Å
528	N	68.3	Low	65.2	Low	55 Å²	55	80 Å²	80	29%	0.294	44%	0.442	S	S	.	.	H	α-helix	trans	-64.2	-40.6	177.3	-173.6	16.5	0	0	0	111.4	T462 T463 S526 I530 T531 A532	T462-N528 VanDerWaalsContact CB-ND2 3.29Å; T462-N528 WeakPolarHBondContact CB-ND2 3.38Å; T463-N528 PolarHBondContact N-ND2 3.34Å; T463-N528 PolarHBondContact O-ND2 2.86Å; S526-N528 PolarHBondContact O-N 3.49Å; N528-I530 VanDerWaalsContact C-N 3.32Å; N528-I530 PolarHBondContact O-N 3.25Å; N528-T531 PolarHBondContact O-N 3.39Å; N528-A532 WeakPolarHBondContact O-CB 3.41Å; N528-A532 PolarHBondContact O-N 3.23Å
529	L	67.1	Low	66	Low	25 Å²	25	74.2 Å²	74.2	13%	0.131	41%	0.414	C	S	.	.	H	α-helix	trans	-65.3	-34.2	178.2	-61.4	176.2	0	0	0	112.6	F507 F511 S526 L527 S533	F507-L529 HydrophobicContact CD1-CD2 3.95Å; F507-L529 HydrophobicContact CE1-CD2 3.9Å; F511-L529 HydrophobicContact CD2-CB 4.29Å; F511-L529 HydrophobicContact CD2-CD1 4.24Å; S526-L529 PolarHBondContact O-N 3.48Å; L527-L529 VanDerWaalsContact C-N 3.35Å; L529-S533 WeakPolarHBondContact O-CB 3.37Å; L529-S533 PolarHBondContact O-N 2.89Å
530	I	68.3	Low	67.3	Low	68 Å²	68	71.3 Å²	71.3	35%	0.349	39%	0.389	S	S	.	.	H	α-helix	trans	-66.2	-46.9	175.3	-64.3	170.1	0	0	0	110.3	F511 S526 L527 N528 S533 K534	F511-I530 HydrophobicContact CE2-CD1 4.32Å; F511-I530 HydrophobicContact CE2-CG1 3.82Å; F511-I530 HydrophobicContact CZ-CD1 4.16Å; F511-I530 HydrophobicContact CZ-CG1 4.09Å; S526-I530 WeakPolarHBondContact O-CG1 3.45Å; S526-I530 PolarHBondContact O-N 3.13Å; L527-I530 PolarHBondContact O-N 3.01Å; N528-I530 VanDerWaalsContact C-N 3.32Å; N528-I530 PolarHBondContact O-N 3.25Å; I530-S533 PolarHBondContact O-N 3.46Å; I530-S533 PolarHBondContact O-OG 3.5Å; I530-K534 PolarHBondContact O-N 3.47Å; I530-K534 VanDerWaalsContact O-N 3.15Å
531	T	70	Confident	68.1	Low	76 Å²	76	75.2 Å²	75.2	47%	0.466	38%	0.384	S	S	.	.	H	α-helix	trans	-62.9	-45.5	178	-55.1	0	0	0	0	111.3	L527 N528 S533 K534 L535	L527-T531 PolarHBondContact O-N 3.35Å; L527-T531 PolarHBondContact O-OG1 2.63Å; N528-T531 PolarHBondContact O-N 3.39Å; T531-S533 VanDerWaalsContact C-N 3.32Å; T531-S533 PolarHBondContact O-N 3.34Å; T531-K534 PolarHBondContact O-N 2.88Å; T531-L535 HydrophobicContact CG2-CD1 4.21Å; T531-L535 WeakPolarHBondContact O-CG 3.48Å; T531-L535 PolarHBondContact O-N 2.92Å; T531-L535 VanDerWaalsContact O-N 3.12Å
532	A	68.5	Low	69	Low	10 Å²	10	73.4 Å²	73.4	8%	0.083	38%	0.382	C	S	.	.	H	α-helix	trans	-57.9	-43.1	174.1	0	0	0	0	0	111.7	N528 K534 L535 I536	N528-A532 WeakPolarHBondContact O-CB 3.41Å; N528-A532 PolarHBondContact O-N 3.23Å; A532-K534 VanDerWaalsContact C-N 3.33Å; A532-K534 PolarHBondContact O-N 3.38Å; A532-L535 PolarHBondContact O-N 3.27Å; A532-I536 WeakPolarHBondContact O-CD1 3.48Å; A532-I536 WeakPolarHBondContact O-CG1 3.26Å; A532-I536 PolarHBondContact O-N 3Å
533	S	67.8	Low	69.6	Low	51 Å²	51	67.9 Å²	67.9	36%	0.357	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-35.5	178.4	79.7	0	0	0	0	113.8	L529 I530 T531 K537	L529-S533 WeakPolarHBondContact O-CB 3.37Å; L529-S533 PolarHBondContact O-N 2.89Å; I530-S533 PolarHBondContact O-N 3.46Å; I530-S533 PolarHBondContact O-OG 3.5Å; T531-S533 VanDerWaalsContact C-N 3.32Å; T531-S533 PolarHBondContact O-N 3.34Å; S533-K537 WeakPolarHBondContact O-CG 3.23Å; S533-K537 PolarHBondContact O-N 2.92Å
534	K	74.4	Confident	70.4	Confident	137 Å²	137	70.1 Å²	70.1	60%	0.596	35%	0.352	S	S	*	.	H	α-helix	trans	-69.6	-48	176.6	-74	-175.1	178.8	-177.3	0	111.2	I530 T531 A532 I536 K537 E538	I530-K534 PolarHBondContact O-N 3.47Å; I530-K534 VanDerWaalsContact O-N 3.15Å; T531-K534 PolarHBondContact O-N 2.88Å; A532-K534 VanDerWaalsContact C-N 3.33Å; A532-K534 PolarHBondContact O-N 3.38Å; K534-I536 VanDerWaalsContact C-N 3.29Å; K534-I536 PolarHBondContact O-N 3.13Å; K534-K537 WeakPolarHBondContact O-CB 3.46Å; K534-K537 PolarHBondContact O-N 3.46Å; K534-K537 VanDerWaalsContact O-N 3.09Å; K534-E538 PolarHBondContact O-N 2.96Å
535	L	74.3	Confident	71.2	Confident	61 Å²	61	70.8 Å²	70.8	32%	0.319	36%	0.362	S	S	.	.	H	α-helix	trans	-62.5	-36.4	178.7	-66.5	168.2	0	0	0	112	L465 T531 A532 K537 E538 M539	L465-L535 HydrophobicContact CD2-CB 3.42Å; L465-L535 VanDerWaalsContact CD2-CB 3.42Å; L465-L535 HydrophobicContact CD2-CD1 4.26Å; L465-L535 HydrophobicContact CD2-CG 4.39Å; T531-L535 HydrophobicContact CG2-CD1 4.21Å; T531-L535 WeakPolarHBondContact O-CG 3.48Å; T531-L535 PolarHBondContact O-N 2.92Å; T531-L535 VanDerWaalsContact O-N 3.12Å; A532-L535 PolarHBondContact O-N 3.27Å; L535-K537 PolarHBondContact O-N 3.17Å; L535-E538 PolarHBondContact O-N 2.99Å; L535-M539 WeakPolarHBondContact O-CB 3.44Å; L535-M539 PolarHBondContact O-N 2.88Å
536	I	73.3	Confident	72	Confident	16 Å²	16	73.6 Å²	73.6	8%	0.082	37%	0.367	C	S	.	.	H	α-helix	trans	-62	-41.7	173.4	-67.5	162.2	0	0	0	111.3	L465 I472 L485 F507 A532 K534 M539 Q540	L465-I536 HydrophobicContact CD1-CG1 4.32Å; I472-I536 HydrophobicContact CD1-CD1 3.65Å; I472-I536 HydrophobicContact CD1-CG1 4.36Å; L485-I536 HydrophobicContact CD1-CG1 4.27Å; F507-I536 HydrophobicContact CE2-CD1 4.17Å; F507-I536 HydrophobicContact CZ-CD1 4.42Å; A532-I536 WeakPolarHBondContact O-CD1 3.48Å; A532-I536 WeakPolarHBondContact O-CG1 3.26Å; A532-I536 PolarHBondContact O-N 3Å; K534-I536 VanDerWaalsContact C-N 3.29Å; K534-I536 PolarHBondContact O-N 3.13Å; I536-M539 PolarHBondContact O-N 3.49Å; I536-Q540 WeakPolarHBondContact O-CB 3.37Å; I536-Q540 VanDerWaalsContact O-CG 3.31Å; I536-Q540 WeakPolarHBondContact O-CG 3.24Å; I536-Q540 PolarHBondContact O-N 3.44Å
537	K	73.5	Confident	72.7	Confident	130 Å²	130	76.1 Å²	76.1	57%	0.565	38%	0.378	S	S	*	.	H	α-helix	trans	-66.3	-37.9	177.2	-75.1	-178.8	178.7	-176.4	0	112.4	S533 K534 L535 Q540 K541	S533-K537 WeakPolarHBondContact O-CG 3.23Å; S533-K537 PolarHBondContact O-N 2.92Å; K534-K537 WeakPolarHBondContact O-CB 3.46Å; K534-K537 PolarHBondContact O-N 3.46Å; K534-K537 VanDerWaalsContact O-N 3.09Å; L535-K537 PolarHBondContact O-N 3.17Å; K537-Q540 WeakPolarHBondContact O-CB 3.45Å; K537-Q540 PolarHBondContact O-N 3.48Å; K537-K541 PolarHBondContact O-N 2.95Å; K537-K541 VanDerWaalsContact O-N 3.08Å
538	E	77.2	Confident	73	Confident	131 Å²	131	74 Å²	74	61%	0.612	37%	0.373	S	S	*	.	H	α-helix	trans	-66.7	-42.8	174.7	-71.4	178.8	174.3	0	0	111.5	K534 L535 Q540 K541 S542	K534-E538 PolarHBondContact O-N 2.96Å; L535-E538 PolarHBondContact O-N 2.99Å; E538-Q540 VanDerWaalsContact C-N 3.34Å; E538-Q540 PolarHBondContact O-N 3.49Å; E538-K541 PolarHBondContact O-N 3.35Å; E538-S542 PolarHBondContact O-N 3.5Å
539	M	74.3	Confident	73.3	Confident	17 Å²	17	76.3 Å²	76.3	8%	0.084	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-37.2	174.3	-160.3	-174.6	-55.6	0	0	112	L465 E467 E470 L485 F486 L535 I536 K541 S542 F543	L465-M539 HydrophobicContact CD1-CE 3.46Å; L465-M539 VanDerWaalsContact CD1-CE 3.46Å; L465-M539 HydrophobicContact CD2-CE 3.47Å; L465-M539 VanDerWaalsContact CD2-CE 3.47Å; L465-M539 HydrophobicContact CG-CE 3.39Å; E467-M539 HydrophobicContact CB-CE 4.47Å; E467-M539 HydrophobicContact CG-CE 4.2Å; E470-M539 HydrophobicContact CB-SD 4.29Å; E470-M539 HydrophobicContact CG-SD 4.35Å; L485-M539 HydrophobicContact CD1-SD 4.4Å; F486-M539 HydrophobicContact CD2-CG 4.43Å; F486-M539 HydrophobicContact CD2-SD 4.2Å; F486-M539 HydrophobicContact CE2-CB 4.07Å; F486-M539 HydrophobicContact CE2-CG 3.64Å; F486-M539 HydrophobicContact CE2-SD 3.55Å; F486-M539 VanDerWaalsContact CE2-SD 3.55Å; F486-M539 HydrophobicContact CZ-CB 4.4Å; F486-M539 HydrophobicContact CZ-CG 4.43Å; L535-M539 WeakPolarHBondContact O-CB 3.44Å; L535-M539 PolarHBondContact O-N 2.88Å; I536-M539 PolarHBondContact O-N 3.49Å; M539-K541 VanDerWaalsContact C-N 3.33Å; M539-K541 PolarHBondContact O-N 3.37Å; M539-S542 PolarHBondContact O-N 3.32Å; M539-S542 PolarHBondContact O-OG 2.89Å; M539-S542 VanDerWaalsContact O-OG 3.04Å; M539-F543 VanDerWaalsContact O-CB 3.26Å; M539-F543 WeakPolarHBondContact O-CB 3.38Å; M539-F543 PolarHBondContact O-N 2.89Å
540	Q	71.9	Confident	73.6	Confident	76 Å²	76	81 Å²	81	36%	0.355	40%	0.403	S	S	.	.	H	α-helix	trans	-59	-44.1	172.1	-82.4	173.5	-7	0	0	112	F486 I536 K537 E538 R544	F486-Q540 HydrophobicContact CE1-CB 4.38Å; F486-Q540 HydrophobicContact CE1-CG 3.4Å; F486-Q540 VanDerWaalsContact CE1-CG 3.4Å; F486-Q540 HydrophobicContact CZ-CB 4.39Å; F486-Q540 HydrophobicContact CZ-CG 3.56Å; I536-Q540 WeakPolarHBondContact O-CB 3.37Å; I536-Q540 VanDerWaalsContact O-CG 3.31Å; I536-Q540 WeakPolarHBondContact O-CG 3.24Å; I536-Q540 PolarHBondContact O-N 3.44Å; K537-Q540 WeakPolarHBondContact O-CB 3.45Å; K537-Q540 PolarHBondContact O-N 3.48Å; E538-Q540 VanDerWaalsContact C-N 3.34Å; E538-Q540 PolarHBondContact O-N 3.49Å; Q540-R544 WeakPolarHBondContact O-CB 3.3Å; Q540-R544 VanDerWaalsContact O-CG 3.27Å; Q540-R544 WeakPolarHBondContact O-CG 3.31Å; Q540-R544 PolarHBondContact O-N 2.83Å
541	K	77.5	Confident	73.9	Confident	160 Å²	160	84 Å²	84	70%	0.696	41%	0.41	S	S	*	.	H	α-helix	trans	-66.4	-43.7	-179.8	-170.1	177.5	-178.5	178.2	0	111.4	K537 E538 M539 A545	K537-K541 PolarHBondContact O-N 2.95Å; K537-K541 VanDerWaalsContact O-N 3.08Å; E538-K541 PolarHBondContact O-N 3.35Å; M539-K541 VanDerWaalsContact C-N 3.33Å; M539-K541 PolarHBondContact O-N 3.37Å; K541-A545 WeakPolarHBondContact O-CB 3.47Å; K541-A545 PolarHBondContact O-N 2.93Å; K541-A545 VanDerWaalsContact O-N 3.11Å
542	S	76.3	Confident	74	Confident	60 Å²	60	83.7 Å²	83.7	42%	0.42	40%	0.403	S	S	.	.	H	α-helix	trans	-69	-37.6	178.9	68.1	0	0	0	0	112.5	E538 M539 A545 K546	E538-S542 PolarHBondContact O-N 3.5Å; M539-S542 PolarHBondContact O-N 3.32Å; M539-S542 PolarHBondContact O-OG 2.89Å; M539-S542 VanDerWaalsContact O-OG 3.04Å; S542-A545 PolarHBondContact O-N 3.04Å; S542-K546 PolarHBondContact O-N 3.02Å
543	F	72.6	Confident	74.1	Confident	46 Å²	46	88.5 Å²	88.5	20%	0.202	42%	0.423	C	S	.	.	H	α-helix	trans	-64.8	-49	175	-174.3	-90.5	0	0	0	111.7	E470 F486 M539 A545 K546 E547	E470-F543 WeakPolarHBondContact OE2-CE2 3.26Å; F486-F543 HydrophobicContact CB-CD1 3.96Å; F486-F543 HydrophobicContact CB-CD2 3.75Å; F486-F543 HydrophobicContact CB-CE1 3.84Å; F486-F543 HydrophobicContact CB-CE2 3.61Å; F486-F543 HydrophobicContact CB-CG 3.92Å; F486-F543 HydrophobicContact CB-CZ 3.66Å; F486-F543 HydrophobicContact CD1-CD1 4.36Å; F486-F543 HydrophobicContact CD1-CG 4.45Å; F486-F543 HydrophobicContact CD2-CB 4.34Å; F486-F543 HydrophobicContact CD2-CD2 4.2Å; F486-F543 HydrophobicContact CD2-CG 4.21Å; F486-F543 HydrophobicContact CG-CB 4.37Å; F486-F543 HydrophobicContact CG-CD1 4.14Å; F486-F543 HydrophobicContact CG-CD2 4.07Å; F486-F543 HydrophobicContact CG-CE1 4.5Å; F486-F543 HydrophobicContact CG-CE2 4.43Å; F486-F543 AromaticContact CG-CG 3.91Å; F486-F543 HydrophobicContact CG-CG 3.91Å; M539-F543 VanDerWaalsContact O-CB 3.26Å; M539-F543 WeakPolarHBondContact O-CB 3.38Å; M539-F543 PolarHBondContact O-N 2.89Å; F543-A545 VanDerWaalsContact C-N 3.26Å; F543-A545 PolarHBondContact O-N 3.47Å; F543-K546 PolarHBondContact O-N 3.2Å; F543-K546 VanDerWaalsContact O-N 3.14Å; F543-E547 HydrophobicContact CE1-CB 4.41Å; F543-E547 WeakPolarHBondContact CE1-OE2 3.44Å; F543-E547 WeakPolarHBondContact O-CB 3.45Å; F543-E547 PolarHBondContact O-N 2.77Å
544	R	73.5	Confident	74.1	Confident	150 Å²	150	92.5 Å²	92.5	57%	0.566	44%	0.436	S	S	*	.	H	α-helix	trans	-57.9	-39.4	176.2	-74	176.8	-175.4	-169	-1.7	112.3	Q540 A548	Q540-R544 WeakPolarHBondContact O-CB 3.3Å; Q540-R544 VanDerWaalsContact O-CG 3.27Å; Q540-R544 WeakPolarHBondContact O-CG 3.31Å; Q540-R544 PolarHBondContact O-N 2.83Å; R544-A548 VanDerWaalsContact O-CB 3.23Å; R544-A548 WeakPolarHBondContact O-CB 3.45Å; R544-A548 PolarHBondContact O-N 2.79Å
545	A	77.8	Confident	73.7	Confident	60 Å²	60	89.7 Å²	89.7	50%	0.496	45%	0.445	S	S	.	.	H	α-helix	trans	-65.9	-42.1	176.8	0	0	0	0	0	112.4	K541 S542 F543 E549	K541-A545 WeakPolarHBondContact O-CB 3.47Å; K541-A545 PolarHBondContact O-N 2.93Å; K541-A545 VanDerWaalsContact O-N 3.11Å; S542-A545 PolarHBondContact O-N 3.04Å; F543-A545 VanDerWaalsContact C-N 3.26Å; F543-A545 PolarHBondContact O-N 3.47Å; A545-E549 WeakPolarHBondContact O-CB 3.4Å; A545-E549 PolarHBondContact O-N 2.87Å
546	K	76.7	Confident	73.6	Confident	122 Å²	122	88.8 Å²	88.8	53%	0.53	44%	0.442	S	S	.	.	H	α-helix	trans	-65.5	-45.1	174.6	-76.1	179.9	-178.6	174.4	0	112.1	S542 F543 A548 E549 E550	S542-K546 PolarHBondContact O-N 3.02Å; F543-K546 PolarHBondContact O-N 3.2Å; F543-K546 VanDerWaalsContact O-N 3.14Å; K546-A548 VanDerWaalsContact C-N 3.34Å; K546-A548 PolarHBondContact O-N 2.79Å; K546-E549 PolarHBondContact O-N 3.32Å; K546-E550 WeakPolarHBondContact O-CG 3.3Å; K546-E550 PolarHBondContact O-N 2.91Å
547	E	76.3	Confident	73.8	Confident	61 Å²	61	91.3 Å²	91.3	29%	0.285	46%	0.458	S	S	.	.	H	α-helix	trans	-63.7	-41	179	-166.1	-169.7	160.7	0	0	111.2	F543 E550 R551	F543-E547 HydrophobicContact CE1-CB 4.41Å; F543-E547 WeakPolarHBondContact CE1-OE2 3.44Å; F543-E547 WeakPolarHBondContact O-CB 3.45Å; F543-E547 PolarHBondContact O-N 2.77Å; E547-E550 PolarHBondContact O-N 3.43Å; E547-R551 VanDerWaalsContact O-CB 3.3Å; E547-R551 WeakPolarHBondContact O-CB 3.34Å; E547-R551 PolarHBondContact O-N 2.73Å; E547-R551 IonicContact OE1-NH2 2.64Å; E547-R551 PolarHBondContact OE1-NH2 3.17Å
548	A	73.5	Confident	74.1	Confident	41 Å²	41	94 Å²	94	34%	0.339	47%	0.473	S	S	.	.	H	α-helix	trans	-62.9	-43.7	173.1	0	0	0	0	0	111.5	R544 K546 R551 E552	R544-A548 VanDerWaalsContact O-CB 3.23Å; R544-A548 WeakPolarHBondContact O-CB 3.45Å; R544-A548 PolarHBondContact O-N 2.79Å; K546-A548 VanDerWaalsContact C-N 3.34Å; K546-A548 PolarHBondContact O-N 2.79Å; A548-R551 PolarHBondContact O-N 3.03Å; A548-E552 VanDerWaalsContact O-CB 3.31Å; A548-E552 WeakPolarHBondContact O-CB 3.35Å; A548-E552 VanDerWaalsContact O-CG 3.22Å; A548-E552 WeakPolarHBondContact O-CG 3.36Å; A548-E552 PolarHBondContact O-N 2.51Å
549	E	74.3	Confident	74.3	Confident	104 Å²	104	91 Å²	91	49%	0.486	46%	0.459	S	S	.	.	H	α-helix	trans	-65.7	-37.2	177	-169.6	-176.6	162.9	0	0	112.6	A545 K546 E552 K553	A545-E549 WeakPolarHBondContact O-CB 3.4Å; A545-E549 PolarHBondContact O-N 2.87Å; K546-E549 PolarHBondContact O-N 3.32Å; E549-E552 CarbonylContact O-C 3.58Å; E549-E552 PolarHBondContact O-N 3.39Å; E549-K553 VanDerWaalsContact O-CG 3.32Å; E549-K553 WeakPolarHBondContact O-CG 3.43Å; E549-K553 PolarHBondContact O-N 3.46Å; E549-K553 WeakPolarHBondContact OE1-CE 3.22Å; E549-K553 IonicContact OE1-NZ 3.39Å; E549-K553 PolarHBondContact OE1-NZ 3Å
550	E	74.2	Confident	74.9	Confident	124 Å²	124	95.1 Å²	95.1	58%	0.579	48%	0.481	S	S	*	.	H	α-helix	trans	-66.7	-45.1	174.1	-75.3	-178	170.4	0	0	111	K546 E547 E552 K553 E554	K546-E550 WeakPolarHBondContact O-CG 3.3Å; K546-E550 PolarHBondContact O-N 2.91Å; E547-E550 PolarHBondContact O-N 3.43Å; E550-E552 VanDerWaalsContact C-N 3.27Å; E550-E552 PolarHBondContact O-N 2.91Å; E550-K553 CarbonylContact O-C 3.54Å; E550-K553 WeakPolarHBondContact O-CA 3.44Å; E550-K553 PolarHBondContact O-N 3.1Å; E550-E554 WeakPolarHBondContact O-CG 3.38Å; E550-E554 PolarHBondContact O-N 3.32Å
551	R	74.8	Confident	75.7	Confident	131 Å²	131	97.2 Å²	97.2	49%	0.494	50%	0.499	S	S	.	.	H	α-helix	trans	-61.2	-35.6	173.7	-162.7	-175.8	-58.5	138.6	0.7	112.2	E547 A548 K553 K645	E547-R551 VanDerWaalsContact O-CB 3.3Å; E547-R551 WeakPolarHBondContact O-CB 3.34Å; E547-R551 PolarHBondContact O-N 2.73Å; E547-R551 IonicContact OE1-NH2 2.64Å; E547-R551 PolarHBondContact OE1-NH2 3.17Å; A548-R551 PolarHBondContact O-N 3.03Å; R551-K553 VanDerWaalsContact C-N 3.27Å; R551-K553 PolarHBondContact O-N 2.91Å; R551-K645 PolarHBondContact O-NZ 3.22Å
552	E	71.2	Confident	76.3	Confident	70 Å²	70	90.4 Å²	90.4	33%	0.327	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-10	172.7	-73.2	-69.8	158.9	0	0	113.4	A548 E549 E550 K645	A548-E552 VanDerWaalsContact O-CB 3.31Å; A548-E552 WeakPolarHBondContact O-CB 3.35Å; A548-E552 VanDerWaalsContact O-CG 3.22Å; A548-E552 WeakPolarHBondContact O-CG 3.36Å; A548-E552 PolarHBondContact O-N 2.51Å; E549-E552 CarbonylContact O-C 3.58Å; E549-E552 PolarHBondContact O-N 3.39Å; E550-E552 VanDerWaalsContact C-N 3.27Å; E550-E552 PolarHBondContact O-N 2.91Å; E552-K645 VanDerWaalsContact CA-CE 3.45Å; E552-K645 WeakPolarHBondContact O-CE 3.43Å; E552-K645 WeakPolarHBondContact OE2-CG 3.45Å; E552-K645 PolarHBondContact OE2-N 3.34Å; E552-K645 VanDerWaalsContact OE2-N 3.11Å
553	K	71.2	Confident	76.8	Confident	111 Å²	111	92.3 Å²	92.3	48%	0.483	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-28.9	170.1	-73.5	170.7	-173.9	168.6	0	111.9	E549 E550 R551 G555 V556	E549-K553 VanDerWaalsContact O-CG 3.32Å; E549-K553 WeakPolarHBondContact O-CG 3.43Å; E549-K553 PolarHBondContact O-N 3.46Å; E549-K553 WeakPolarHBondContact OE1-CE 3.22Å; E549-K553 IonicContact OE1-NZ 3.39Å; E549-K553 PolarHBondContact OE1-NZ 3Å; E550-K553 CarbonylContact O-C 3.54Å; E550-K553 WeakPolarHBondContact O-CA 3.44Å; E550-K553 PolarHBondContact O-N 3.1Å; R551-K553 VanDerWaalsContact C-N 3.27Å; R551-K553 PolarHBondContact O-N 2.91Å; K553-G555 PolarHBondContact O-N 2.96Å; K553-V556 PolarHBondContact O-N 2.91Å
554	E	67.6	Low	77.5	Confident	135 Å²	135	93.3 Å²	93.3	63%	0.631	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	127.9	175.9	-76.6	179.9	171.9	0	0	111.2	E550 V556 K645	E550-E554 WeakPolarHBondContact O-CG 3.38Å; E550-E554 PolarHBondContact O-N 3.32Å; E554-V556 VanDerWaalsContact C-N 3.34Å; E554-V556 PolarHBondContact O-N 3.16Å; E554-K645 PolarHBondContact O-NZ 2.86Å
555	G	66	Low	77.8	Confident	78 Å²	78	88.5 Å²	88.5	80%	0.804	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	1	179.3	0	0	0	0	0	115.7	K553 V557	K553-G555 PolarHBondContact O-N 2.96Å; G555-V557 PolarHBondContact O-N 3.27Å
556	V	71.2	Confident	77.8	Confident	42 Å²	42	92.1 Å²	92.1	26%	0.255	49%	0.486	S	S	.	.			trans	-69.7	113.9	169	-177.7	0	0	0	0	108.8	K553 E554 Q558 L640 K645	K553-V556 PolarHBondContact O-N 2.91Å; E554-V556 VanDerWaalsContact C-N 3.34Å; E554-V556 PolarHBondContact O-N 3.16Å; V556-Q558 PolarHBondContact O-N 3.09Å; V556-L640 HydrophobicContact CG1-CB 4.4Å; V556-K645 HydrophobicContact CG2-CD 3.84Å; V556-K645 HydrophobicContact CG2-CG 3.9Å
557	V	79.1	Confident	77.6	Confident	68 Å²	68	91.8 Å²	91.8	41%	0.412	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-69.2	118.7	172.6	180	0	0	0	0	108.1	G555 Q559 D637	G555-V557 PolarHBondContact O-N 3.27Å; V557-Q559 PolarHBondContact O-N 3.19Å; V557-D637 HydrophobicContact CB-CB 4.07Å; V557-D637 HydrophobicContact CG2-CB 4.2Å
558	Q	78.9	Confident	77.3	Confident	187 Å²	187	97.5 Å²	97.5	87%	0.874	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-63.6	119.7	175.2	-70.8	-174.5	-1.8	0	0	109.3	V556	V556-Q558 PolarHBondContact O-N 3.09Å
559	Q	81.1	Confident	77.3	Confident	69 Å²	69	100.2 Å²	100.2	32%	0.322	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-86.2	155.6	-179.5	-63.5	-65.6	-42.6	0	0	111.3	V557 L611 I639	V557-Q559 PolarHBondContact O-N 3.19Å; Q559-L611 HydrophobicContact CB-CD1 4.09Å; Q559-I639 HydrophobicContact CG-CG2 4.3Å
560	D	86.6	Confident	77.7	Confident	102 Å²	102	97.3 Å²	97.3	55%	0.545	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-62.5	164.6	171.7	-67.8	-28.2	0	0	0	111.4	L611 K613	D560-L611 HydrophobicContact CB-CD1 3.72Å; D560-L611 WeakPolarHBondContact O-CD1 3.48Å; D560-K613 IonicContact OD2-NZ 3.36Å
561	T	88.7	Confident	78.4	Confident	121 Å²	121	91.9 Å²	91.9	74%	0.742	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-81.8	141.3	174.2	55.5	0	0	0	0	111.7	I563 N596	T561-I563 PolarHBondContact O-N 2.96Å; T561-N596 PolarHBondContact O-ND2 3.07Å; T561-N596 VanDerWaalsContact O-ND2 3.1Å
562	L	90.1	Very high	79.2	Confident	16 Å²	16	91 Å²	91	8%	0.084	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-70.1	126.5	175.7	-173.8	76.5	0	0	0	110.9	V564 N596 G597 R599 D609 L611	L562-V564 PolarHBondContact O-N 3.13Å; L562-N596 WeakPolarHBondContact CD1-OD1 3.4Å; L562-G597 VanDerWaalsContact CD1-C 3.45Å; L562-R599 HydrophobicContact CD2-CB 3.66Å; L562-D609 HydrophobicContact CB-CB 4.13Å; L562-D609 HydrophobicContact CD2-CB 4.21Å; L562-L611 HydrophobicContact CB-CD2 4.43Å; L562-L611 HydrophobicContact CD1-CD2 4.04Å
563	I	88.4	Confident	80.3	Confident	101 Å²	101	88.3 Å²	88.3	52%	0.518	48%	0.481	S	S	.	.			trans	-88.7	104	176.3	-59.3	170	0	0	0	108	T561 N565 H594 T595 N596	T561-I563 PolarHBondContact O-N 2.96Å; I563-N565 PolarHBondContact O-N 3.43Å; I563-H594 WeakPolarHBondContact O-CB 3.39Å; I563-T595 VanDerWaalsContact CB-OG1 3.23Å; I563-T595 WeakPolarHBondContact CB-OG1 3.41Å; I563-T595 VanDerWaalsContact CG2-OG1 3.24Å; I563-T595 WeakPolarHBondContact CG2-OG1 3.34Å; I563-T595 PolarHBondContact O-N 2.84Å; I563-T595 PolarHBondContact O-OG1 3.43Å; I563-N596 PolarHBondContact N-OD1 3.21Å
564	V	86.6	Confident	81.4	Confident	66 Å²	66	89.1 Å²	89.1	40%	0.4	49%	0.485	S	S	.	.			trans	-74.7	124.2	-178.7	-175.1	0	0	0	0	109.8	L562 V566	L562-V564 PolarHBondContact O-N 3.13Å; V564-V566 PolarHBondContact O-N 3.16Å
565	N	80.1	Confident	82.5	Confident	50 Å²	50	88 Å²	88	27%	0.267	48%	0.482	S	S	.	.			trans	-67.9	123	173.4	-165	-10.8	0	0	0	110.4	I563 N567 H594 T595	I563-N565 PolarHBondContact O-N 3.43Å; N565-N567 VanDerWaalsContact C-N 3.29Å; N565-N567 WeakPolarHBondContact OD1-CB 3.39Å; N565-N567 PolarHBondContact OD1-N 3.31Å; N565-H594 PolarHBondContact N-ND1 3.43Å; N565-T595 HydrophobicContact CB-CG2 4.11Å
566	V	76.8	Confident	83.9	Confident	136 Å²	136	84.2 Å²	84.2	82%	0.824	44%	0.444	S	S	*	.	S	Bend	trans	-75.3	-23.5	178.7	-171.8	0	0	0	0	111.2	V564 K568	V564-V566 PolarHBondContact O-N 3.16Å; V566-K568 PolarHBondContact O-N 2.86Å
567	N	72.8	Confident	85	Confident	114 Å²	114	84.8 Å²	84.8	61%	0.61	44%	0.442	S	S	*	.	S	Bend	trans	-76.1	122.5	177.5	-65	-19	0	0	0	109.5	N565 A569 Y570	N565-N567 VanDerWaalsContact C-N 3.29Å; N565-N567 WeakPolarHBondContact OD1-CB 3.39Å; N565-N567 PolarHBondContact OD1-N 3.31Å; N567-A569 PolarHBondContact O-N 3.03Å; N567-Y570 WeakPolarHBondContact O-CD1 3.39Å
568	K	69.6	Low	85.7	Confident	182 Å²	182	81.7 Å²	81.7	79%	0.791	42%	0.423	S	S	*	.	S	Bend	trans	-62.8	-3.4	-177.6	-68.9	-176.2	178.5	179	0	115.4	V566 Y570 R572	V566-K568 PolarHBondContact O-N 2.86Å; K568-Y570 VanDerWaalsContact C-N 3.31Å; K568-Y570 PolarHBondContact O-N 2.83Å; K568-R572 PolarHBondContact O-NH2 2.81Å; K568-R572 VanDerWaalsContact O-NH2 3.15Å
569	A	74.5	Confident	86.4	Confident	98 Å²	98	74.9 Å²	74.9	81%	0.81	39%	0.39	S	S	*	.			trans	-91.4	51.1	-177.5	0	0	0	0	0	112.2	N567	N567-A569 PolarHBondContact O-N 3.03Å
570	Y	82.2	Confident	86.9	Confident	43 Å²	43	72.4 Å²	72.4	17%	0.169	38%	0.379	C	S	.	.			trans	-104.1	148.2	172.8	54.6	-96.9	0	0	0	111.4	N567 K568 R572 E592 A593	N567-Y570 WeakPolarHBondContact O-CD1 3.39Å; K568-Y570 VanDerWaalsContact C-N 3.31Å; K568-Y570 PolarHBondContact O-N 2.83Å; Y570-R572 HydrophobicContact CE2-CB 4.39Å; Y570-R572 PolarHBondContact O-N 3.3Å; Y570-E592 HydrophobicContact CD2-CB 4.05Å; Y570-E592 HydrophobicContact CD2-CG 4.44Å; Y570-E592 HydrophobicContact CE2-CB 3.77Å; Y570-E592 VanDerWaalsContact CE2-CD 3.44Å; Y570-E592 HydrophobicContact CE2-CG 3.72Å; Y570-E592 VanDerWaalsContact CE2-OE1 3.25Å; Y570-E592 WeakPolarHBondContact CE2-OE1 3.42Å; Y570-E592 PolarHBondContact OH-OE1 3.41Å; Y570-A593 VanDerWaalsContact CB-O 3.3Å; Y570-A593 WeakPolarHBondContact CB-O 3.34Å
571	P	90	Very high	87.1	Confident	9 Å²	9	70.4 Å²	70.4	6%	0.058	37%	0.369	C	S	.	.			trans	-60.7	135	173	-19.2	30.9	0	0	0	110.6	A593 F694 R697 L701	P571-A593 HydrophobicContact CB-CB 4.28Å; P571-A593 HydrophobicContact CG-CB 4.32Å; P571-A593 PolarHBondContact O-N 3.33Å; P571-F694 HydrophobicContact CB-CD2 3.87Å; P571-F694 HydrophobicContact CB-CE2 3.81Å; P571-R697 HydrophobicContact CB-CB 4.41Å; P571-R697 HydrophobicContact CG-CB 4.01Å; P571-L701 HydrophobicContact CG-CD1 3.3Å
572	R	91.4	Very high	86.9	Confident	112 Å²	112	66 Å²	66	42%	0.423	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.1	176.8	69.6	-175.4	79.4	-157.9	3.9	109.9	K568 Y570 T590 L591	K568-R572 PolarHBondContact O-NH2 2.81Å; K568-R572 VanDerWaalsContact O-NH2 3.15Å; Y570-R572 HydrophobicContact CE2-CB 4.39Å; Y570-R572 PolarHBondContact O-N 3.3Å; R572-T590 HydrophobicContact CB-CG2 4.29Å; R572-L591 CarbonylContact C-O 3.58Å; R572-L591 VanDerWaalsContact CA-O 3.29Å; R572-L591 WeakPolarHBondContact CA-O 3.45Å
573	L	94.1	Very high	86.6	Confident	15 Å²	15	68.4 Å²	68.4	8%	0.079	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.2	175	-169.7	63.9	0	0	0	108.6	L576 T590 L591 I631 F691 F694	L573-L576 HydrophobicContact CB-CD1 3.97Å; L573-L576 HydrophobicContact CD2-CD1 4.02Å; L573-L576 HydrophobicContact CD2-CD2 3.95Å; L573-L576 HydrophobicContact CD2-CG 4.46Å; L573-L576 HydrophobicContact CG-CD1 3.94Å; L573-L576 HydrophobicContact CG-CD2 4.14Å; L573-L576 HydrophobicContact CG-CG 4.26Å; L573-L576 WeakPolarHBondContact O-CD1 3.4Å; L573-T590 CarbonylContact O-C 3.52Å; L573-T590 WeakPolarHBondContact O-CA 3.33Å; L573-T590 WeakPolarHBondContact O-CG2 3.39Å; L573-L591 PolarHBondContact N-O 3.33Å; L573-L591 PolarHBondContact O-N 3.23Å; L573-I631 HydrophobicContact CD2-CD1 3.92Å; L573-F691 HydrophobicContact CD1-CD2 4.25Å; L573-F691 HydrophobicContact CD1-CE2 4.35Å; L573-F691 HydrophobicContact CD2-CD1 3.91Å; L573-F691 HydrophobicContact CD2-CD2 4Å; L573-F691 HydrophobicContact CD2-CE1 3.83Å; L573-F691 HydrophobicContact CD2-CE2 3.93Å; L573-F691 HydrophobicContact CD2-CG 3.99Å; L573-F691 HydrophobicContact CD2-CZ 3.86Å; L573-F691 HydrophobicContact CG-CE2 4.43Å; L573-F694 HydrophobicContact CB-CD1 4.26Å; L573-F694 HydrophobicContact CB-CD2 3.84Å; L573-F694 HydrophobicContact CB-CE1 4.28Å; L573-F694 HydrophobicContact CB-CE2 3.88Å; L573-F694 HydrophobicContact CB-CG 4.03Å; L573-F694 HydrophobicContact CB-CZ 4.09Å; L573-F694 HydrophobicContact CD1-CB 4.5Å; L573-F694 HydrophobicContact CD2-CB 4.48Å; L573-F694 HydrophobicContact CD2-CD1 3.96Å; L573-F694 HydrophobicContact CD2-CE1 4.34Å; L573-F694 HydrophobicContact CD2-CG 4.2Å
574	K	93	Very high	86.3	Confident	128 Å²	128	70.8 Å²	70.8	56%	0.557	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	169.3	-174.8	-64.2	-176.2	178.9	-177.8	0	110.9	L576 T590	K574-L576 PolarHBondContact O-N 3.01Å; K574-T590 HydrophobicContact CG-CG2 4.01Å
575	D	92	Very high	86.2	Confident	110 Å²	110	75.6 Å²	75.6	59%	0.588	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60.9	43.4	171.7	-51.6	-42.9	0	0	0	113	G589 T653	D575-G589 PolarHBondContact N-O 3.15Å; D575-T653 PolarHBondContact O-OG1 3.43Å
576	L	95.1	Very high	86.5	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138.1	179.8	-62.3	171.3	0	0	0	110.6	L573 K574 I588 G589 L591 Y600 F651 F691	L573-L576 HydrophobicContact CB-CD1 3.97Å; L573-L576 HydrophobicContact CD2-CD1 4.02Å; L573-L576 HydrophobicContact CD2-CD2 3.95Å; L573-L576 HydrophobicContact CD2-CG 4.46Å; L573-L576 HydrophobicContact CG-CD1 3.94Å; L573-L576 HydrophobicContact CG-CD2 4.14Å; L573-L576 HydrophobicContact CG-CG 4.26Å; L573-L576 WeakPolarHBondContact O-CD1 3.4Å; K574-L576 PolarHBondContact O-N 3.01Å; L576-I588 CarbonylContact O-C 3.46Å; L576-I588 WeakPolarHBondContact O-CA 3.46Å; L576-G589 PolarHBondContact N-O 3.5Å; L576-G589 PolarHBondContact O-N 3.36Å; L576-L591 HydrophobicContact CD1-CB 3.45Å; L576-L591 VanDerWaalsContact CD1-CB 3.45Å; L576-L591 HydrophobicContact CD1-CD2 4.41Å; L576-Y600 HydrophobicContact CB-CE2 4.24Å; L576-Y600 PolarHBondContact O-OH 3.44Å; L576-F651 HydrophobicContact CD1-CB 4.24Å; L576-F691 HydrophobicContact CD2-CE1 3.99Å; L576-F691 HydrophobicContact CD2-CE2 4.22Å; L576-F691 HydrophobicContact CD2-CZ 3.38Å
577	Y	94.8	Very high	87	Confident	54 Å²	54	75.2 Å²	75.2	21%	0.212	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	152.1	160	-65.8	-79	0	0	0	109.9	R586 I588 F651 F652	Y577-R586 HydrophobicContact CD1-CB 4.07Å; Y577-R586 HydrophobicContact CE1-CB 4.16Å; Y577-I588 HydrophobicContact CD1-CG1 3.96Å; Y577-I588 HydrophobicContact CE1-CD1 4.11Å; Y577-I588 HydrophobicContact CE1-CG1 3.31Å; Y577-I588 HydrophobicContact CE2-CG1 4.3Å; Y577-I588 WeakPolarHBondContact OH-CD1 3.47Å; Y577-F651 CarbonylContact O-C 3.48Å; Y577-F651 VanDerWaalsContact O-CA 3.24Å; Y577-F651 WeakPolarHBondContact O-CA 3.46Å; Y577-F652 VanDerWaalsContact CB-CE1 3.5Å; Y577-F652 HydrophobicContact CD2-CE2 4.18Å; Y577-F652 HydrophobicContact CD2-CZ 4.36Å; Y577-F652 HydrophobicContact CG-CE2 4.44Å; Y577-F652 HydrophobicContact CG-CZ 4.16Å; Y577-F652 PolarHBondContact N-O 2.91Å; Y577-F652 PolarHBondContact O-N 2.87Å
578	V	94.1	Very high	88	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138	173.2	62.9	0	0	0	0	110.2	N581 M582 Y600 L608 V649 Q650 F651	V578-N581 PolarHBondContact O-OD1 3.47Å; V578-M582 HydrophobicContact CG1-CG 4.1Å; V578-Y600 HydrophobicContact CB-CD1 4.31Å; V578-Y600 HydrophobicContact CB-CE1 3.84Å; V578-Y600 HydrophobicContact CG1-CD1 4.35Å; V578-Y600 HydrophobicContact CG1-CE1 3.63Å; V578-L608 HydrophobicContact CG2-CD2 4.11Å; V578-V649 HydrophobicContact CG2-CG1 4.12Å; V578-Q650 CarbonylContact C-O 3.53Å; V578-Q650 WeakPolarHBondContact CA-O 3.31Å; V578-F651 HydrophobicContact CB-CD1 4.09Å; V578-F651 HydrophobicContact CB-CE1 3.97Å; V578-F651 HydrophobicContact CG2-CD1 4.1Å; V578-F651 HydrophobicContact CG2-CE1 3.63Å; V578-F651 HydrophobicContact CG2-CZ 4.37Å
579	R	92.5	Very high	89.1	Confident	44 Å²	44	64.8 Å²	64.8	17%	0.166	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.2	174.5	-165.2	-174.6	-74.8	179.3	-4.7	109.6	Q650 F652 S739 W741	R579-Q650 HydrophobicContact CB-CB 4.27Å; R579-Q650 PolarHBondContact N-O 3.22Å; R579-Q650 PolarHBondContact O-N 2.95Å; R579-F652 HydrophobicContact CB-CD1 4.4Å; R579-F652 HydrophobicContact CB-CE1 4.05Å; R579-S739 PolarHBondContact NH1-O 3.5Å; R579-W741 HydrophobicContact CB-CE3 4.33Å; R579-W741 HydrophobicContact CB-CZ3 4.34Å; R579-W741 HydrophobicContact CG-CD2 3.59Å; R579-W741 HydrophobicContact CG-CE3 3.5Å; R579-W741 VanDerWaalsContact CG-CE3 3.5Å; R579-W741 HydrophobicContact CG-CG 4.13Å; R579-W741 HydrophobicContact CG-CH2 4.41Å; R579-W741 HydrophobicContact CG-CZ2 4.48Å; R579-W741 HydrophobicContact CG-CZ3 3.89Å
580	P	92.7	Very high	90.1	Very high	16 Å²	16	61.9 Å²	61.9	10%	0.104	29%	0.29	C	S	.	.	S	Bend	cis	-65.4	158.8	-5.7	22.3	-25.1	0	0	0	112.9	Y641 H646 D648 W741	P580-Y641 WeakPolarHBondContact CD-OH 3.22Å; P580-Y641 WeakPolarHBondContact CG-OH 3.28Å; P580-Y641 PolarHBondContact O-OH 3.29Å; P580-H646 HydrophobicContact CG-CB 4.31Å; P580-H646 WeakPolarHBondContact CG-CE1 3.42Å; P580-H646 VanDerWaalsContact CG-ND1 3.3Å; P580-H646 WeakPolarHBondContact CG-ND1 3.33Å; P580-D648 VanDerWaalsContact CD-O 3.31Å; P580-D648 WeakPolarHBondContact CD-O 3.49Å; P580-W741 HydrophobicContact CB-CZ2 3.94Å; P580-W741 HydrophobicContact CG-CH2 4.23Å; P580-W741 HydrophobicContact CG-CZ2 3.73Å
581	N	90.7	Very high	90.7	Very high	61 Å²	61	59.8 Å²	59.8	33%	0.326	28%	0.282	S	S	.	.			trans	-70.9	139.3	-174.8	-61.7	-40.4	0	0	0	111	V578 I583	V578-N581 PolarHBondContact O-OD1 3.47Å; N581-I583 WeakPolarHBondContact CB-O 3.5Å; N581-I583 PolarHBondContact O-N 3.46Å
582	M	84.5	Confident	90.8	Very high	29 Å²	29	60.9 Å²	60.9	14%	0.143	29%	0.286	C	S	.	.	S	Bend	trans	-65.7	-28.4	175.4	-58.4	178.2	74.1	0	0	113.1	V578 Y600 D606 L608 Y641	V578-M582 HydrophobicContact CG1-CG 4.1Å; M582-Y600 HydrophobicContact SD-CD1 4.25Å; M582-Y600 HydrophobicContact SD-CE1 4.29Å; M582-D606 HydrophobicContact CE-CB 3.75Å; M582-D606 HydrophobicContact SD-CB 4.23Å; M582-L608 HydrophobicContact CE-CB 4.17Å; M582-L608 HydrophobicContact SD-CB 4.42Å; M582-Y641 HydrophobicContact CB-CD2 4.46Å; M582-Y641 HydrophobicContact CG-CD2 3.93Å; M582-Y641 HydrophobicContact CG-CE2 4.07Å
583	I	83.5	Confident	90.9	Very high	65 Å²	65	55.6 Å²	55.6	33%	0.333	27%	0.266	S	S	.	.	S	Bend	trans	-137.3	161.6	180	-60	175.9	0	0	0	106.6	N581 K585 L587	N581-I583 WeakPolarHBondContact CB-O 3.5Å; N581-I583 PolarHBondContact O-N 3.46Å; I583-K585 PolarHBondContact O-N 2.8Å; I583-L587 HydrophobicContact CD1-CD1 4.31Å
584	N	81.7	Confident	90.8	Very high	152 Å²	152	55.3 Å²	55.3	81%	0.813	27%	0.265	S	S	*	.	S	Bend	trans	-54.7	-14.5	177.1	-69.3	10.3	0	0	0	114.9
585	K	84.5	Confident	90.6	Very high	166 Å²	166	52.8 Å²	52.8	72%	0.722	26%	0.26	S	S	*	.	S	Bend	trans	-101.5	139.7	174.6	-66.9	-172.5	177.2	-174.7	0	111.2	I583 L587	I583-K585 PolarHBondContact O-N 2.8Å; K585-L587 PolarHBondContact O-N 2.68Å
586	R	86.7	Confident	90.5	Very high	146 Å²	146	49.2 Å²	49.2	55%	0.551	24%	0.241	S	C	*	.			trans	-64.7	128.4	171.2	-61.9	-177.1	-174.9	-168.2	1.4	109.5	Y577 E654	Y577-R586 HydrophobicContact CD1-CB 4.07Å; Y577-R586 HydrophobicContact CE1-CB 4.16Å; R586-E654 IonicContact NH1-OE1 2.73Å; R586-E654 PolarHBondContact NH1-OE1 3.44Å; R586-E654 VanDerWaalsContact NH1-OE1 3.09Å
587	L	86.8	Confident	90.4	Very high	33 Å²	33	49.2 Å²	49.2	17%	0.173	24%	0.241	C	C	.	.			trans	-118.4	131.9	178.9	-65.5	173.9	0	0	0	109.3	I583 K585 Y600 A602	I583-L587 HydrophobicContact CD1-CD1 4.31Å; K585-L587 PolarHBondContact O-N 2.68Å; L587-Y600 PolarHBondContact O-OH 2.93Å; L587-A602 HydrophobicContact CB-CB 4.27Å; L587-A602 HydrophobicContact CD1-CB 4.13Å
588	I	93	Very high	90.4	Very high	70 Å²	70	46.7 Å²	46.7	36%	0.359	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	140.2	170.3	-57.4	170.6	0	0	0	108.4	L576 Y577 S603	L576-I588 CarbonylContact O-C 3.46Å; L576-I588 WeakPolarHBondContact O-CA 3.46Å; Y577-I588 HydrophobicContact CD1-CG1 3.96Å; Y577-I588 HydrophobicContact CE1-CD1 4.11Å; Y577-I588 HydrophobicContact CE1-CG1 3.31Å; Y577-I588 HydrophobicContact CE2-CG1 4.3Å; Y577-I588 WeakPolarHBondContact OH-CD1 3.47Å; I588-S603 VanDerWaalsContact O-CB 3.32Å; I588-S603 WeakPolarHBondContact O-CB 3.45Å; I588-S603 PolarHBondContact O-N 2.75Å; I588-S603 PolarHBondContact O-OG 3.24Å
589	G	94	Very high	90.4	Very high	6 Å²	6	48.1 Å²	48.1	6%	0.062	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	-170.5	-179.2	0	0	0	0	0	113.5	D575 L576 Y600 V601	D575-G589 PolarHBondContact N-O 3.15Å; L576-G589 PolarHBondContact N-O 3.5Å; L576-G589 PolarHBondContact O-N 3.36Å; G589-Y600 WeakPolarHBondContact CA-OH 3.26Å; G589-Y600 PolarHBondContact N-OH 3.4Å; G589-V601 CarbonylContact C-O 3.49Å; G589-V601 WeakPolarHBondContact CA-O 3.36Å
590	T	94.7	Very high	90.5	Very high	37 Å²	37	46 Å²	46	23%	0.227	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.4	178.5	-59.1	0	0	0	0	109.3	R572 L573 K574 E592 Y600 V601	R572-T590 HydrophobicContact CB-CG2 4.29Å; L573-T590 CarbonylContact O-C 3.52Å; L573-T590 WeakPolarHBondContact O-CA 3.33Å; L573-T590 WeakPolarHBondContact O-CG2 3.39Å; K574-T590 HydrophobicContact CG-CG2 4.01Å; T590-E592 HydrophobicContact CG2-CG 4.23Å; T590-Y600 WeakPolarHBondContact O-CA 3.44Å; T590-V601 PolarHBondContact N-O 2.89Å; T590-V601 PolarHBondContact O-N 3.42Å
591	L	95.3	Very high	90.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.8	173.5	-172.6	67.4	0	0	0	109.5	R572 L573 L576 F598 F633 F651 F694	R572-L591 CarbonylContact C-O 3.58Å; R572-L591 VanDerWaalsContact CA-O 3.29Å; R572-L591 WeakPolarHBondContact CA-O 3.45Å; L573-L591 PolarHBondContact N-O 3.33Å; L573-L591 PolarHBondContact O-N 3.23Å; L576-L591 HydrophobicContact CD1-CB 3.45Å; L576-L591 VanDerWaalsContact CD1-CB 3.45Å; L576-L591 HydrophobicContact CD1-CD2 4.41Å; L591-F598 HydrophobicContact CD1-CB 3.94Å; L591-F598 HydrophobicContact CG-CD1 4.45Å; L591-F633 HydrophobicContact CD2-CE2 4.45Å; L591-F651 HydrophobicContact CD1-CD2 4.15Å; L591-F651 HydrophobicContact CD1-CE1 4.19Å; L591-F651 HydrophobicContact CD1-CE2 3.75Å; L591-F651 HydrophobicContact CD1-CZ 3.77Å; L591-F651 HydrophobicContact CD2-CD2 3.82Å; L591-F651 HydrophobicContact CD2-CE2 4.2Å; L591-F651 HydrophobicContact CD2-CG 4.19Å; L591-F694 HydrophobicContact CD2-CE1 3.87Å; L591-F694 HydrophobicContact CD2-CZ 3.95Å; L591-F694 HydrophobicContact CG-CZ 4.15Å
592	E	93	Very high	90.6	Very high	31 Å²	31	44.5 Å²	44.5	15%	0.145	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.5	-178.5	-55.8	-169.2	134.5	0	0	109.9	Y570 T590 H594 F598 R599	Y570-E592 HydrophobicContact CD2-CB 4.05Å; Y570-E592 HydrophobicContact CD2-CG 4.44Å; Y570-E592 HydrophobicContact CE2-CB 3.77Å; Y570-E592 VanDerWaalsContact CE2-CD 3.44Å; Y570-E592 HydrophobicContact CE2-CG 3.72Å; Y570-E592 VanDerWaalsContact CE2-OE1 3.25Å; Y570-E592 WeakPolarHBondContact CE2-OE1 3.42Å; Y570-E592 PolarHBondContact OH-OE1 3.41Å; T590-E592 HydrophobicContact CG2-CG 4.23Å; E592-H594 IonicContact OE2-CE1 3.61Å; E592-H594 IonicContact OE2-NE2 2.65Å; E592-F598 CarbonylContact O-C 3.54Å; E592-F598 WeakPolarHBondContact O-CA 3.43Å; E592-R599 PolarHBondContact N-O 2.84Å; E592-R599 PolarHBondContact O-N 3.38Å
593	A	92.5	Very high	90.8	Very high	2 Å²	2	47.8 Å²	47.8	2%	0.017	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.7	177.3	0	0	0	0	0	110.9	Y570 P571 F598 I698	Y570-A593 VanDerWaalsContact CB-O 3.3Å; Y570-A593 WeakPolarHBondContact CB-O 3.34Å; P571-A593 HydrophobicContact CB-CB 4.28Å; P571-A593 HydrophobicContact CG-CB 4.32Å; P571-A593 PolarHBondContact O-N 3.33Å; A593-F598 HydrophobicContact CB-CD1 3.87Å; A593-F598 HydrophobicContact CB-CE1 3.79Å; A593-I698 HydrophobicContact CB-CG1 4.09Å
594	H	91.7	Very high	90.9	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.042	26%	0.263	C	S	.	.			trans	-107.6	-161.1	-178.1	-63.3	-69.8	0	0	0	112	I563 N565 E592 G597 Y612	I563-H594 WeakPolarHBondContact O-CB 3.39Å; N565-H594 PolarHBondContact N-ND1 3.43Å; E592-H594 IonicContact OE2-CE1 3.61Å; E592-H594 IonicContact OE2-NE2 2.65Å; H594-G597 WeakPolarHBondContact CA-O 3.37Å; H594-G597 PolarHBondContact N-O 2.9Å; H594-Y612 PolarHBondContact N-OH 3.48Å; H594-Y612 WeakPolarHBondContact O-CE2 3.39Å; H594-Y612 PolarHBondContact O-OH 3.44Å
595	T	88.4	Confident	91.1	Very high	75 Å²	75	47.9 Å²	47.9	46%	0.46	24%	0.244	S	C	.	.	S	Bend	trans	-75	-34.7	-171.1	58.3	0	0	0	0	113.1	I563 N565	I563-T595 VanDerWaalsContact CB-OG1 3.23Å; I563-T595 WeakPolarHBondContact CB-OG1 3.41Å; I563-T595 VanDerWaalsContact CG2-OG1 3.24Å; I563-T595 WeakPolarHBondContact CG2-OG1 3.34Å; I563-T595 PolarHBondContact O-N 2.84Å; I563-T595 PolarHBondContact O-OG1 3.43Å; N565-T595 HydrophobicContact CB-CG2 4.11Å
596	N	90.9	Very high	91.3	Very high	35 Å²	35	42.2 Å²	42.2	19%	0.187	22%	0.222	C	C	.	.	S	Bend	trans	-126.3	8	-177.8	70.3	-25.9	0	0	0	114.2	T561 L562 I563 L611 Y612	T561-N596 PolarHBondContact O-ND2 3.07Å; T561-N596 VanDerWaalsContact O-ND2 3.1Å; L562-N596 WeakPolarHBondContact CD1-OD1 3.4Å; I563-N596 PolarHBondContact N-OD1 3.21Å; N596-L611 WeakPolarHBondContact O-CA 3.27Å; N596-Y612 PolarHBondContact O-N 3.49Å
597	G	93.2	Very high	91.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-177.1	179.8	0	0	0	0	0	114.2	L562 H594 I610 Y612	L562-G597 VanDerWaalsContact CD1-C 3.45Å; H594-G597 WeakPolarHBondContact CA-O 3.37Å; H594-G597 PolarHBondContact N-O 2.9Å; G597-I610 CarbonylContact C-O 3.56Å; G597-I610 WeakPolarHBondContact CA-O 3.18Å; G597-Y612 VanDerWaalsContact CA-CE1 3.46Å; G597-Y612 PolarHBondContact O-OH 3.09Å
598	F	94.5	Very high	91.8	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	148.8	173.1	-59	-74.9	0	0	0	111.7	L591 E592 A593 D609 I610 Y612 I615 F633 I698 F708	L591-F598 HydrophobicContact CD1-CB 3.94Å; L591-F598 HydrophobicContact CG-CD1 4.45Å; E592-F598 CarbonylContact O-C 3.54Å; E592-F598 WeakPolarHBondContact O-CA 3.43Å; A593-F598 HydrophobicContact CB-CD1 3.87Å; A593-F598 HydrophobicContact CB-CE1 3.79Å; F598-D609 CarbonylContact O-C 3.55Å; F598-D609 WeakPolarHBondContact O-CA 3.36Å; F598-I610 HydrophobicContact CB-CB 4.44Å; F598-I610 PolarHBondContact N-O 3.05Å; F598-I610 PolarHBondContact O-N 3.43Å; F598-Y612 HydrophobicContact CD1-CE1 4.28Å; F598-Y612 HydrophobicContact CD2-CD1 4.1Å; F598-Y612 AromaticContact CD2-CE1 3.8Å; F598-Y612 HydrophobicContact CD2-CE1 3.8Å; F598-Y612 HydrophobicContact CE1-CE1 4Å; F598-Y612 AromaticContact CE2-CD1 3.76Å; F598-Y612 HydrophobicContact CE2-CD1 3.76Å; F598-Y612 AromaticContact CE2-CE1 3.51Å; F598-Y612 HydrophobicContact CE2-CE1 3.51Å; F598-Y612 HydrophobicContact CG-CE1 4.19Å; F598-Y612 HydrophobicContact CZ-CD1 4.25Å; F598-Y612 AromaticContact CZ-CE1 3.63Å; F598-Y612 HydrophobicContact CZ-CE1 3.63Å; F598-I615 HydrophobicContact CD2-CD1 3.97Å; F598-I615 HydrophobicContact CE2-CD1 3.6Å; F598-F633 HydrophobicContact CD2-CE1 4.32Å; F598-F633 HydrophobicContact CD2-CE2 4.08Å; F598-F633 AromaticContact CD2-CZ 3.79Å; F598-F633 HydrophobicContact CD2-CZ 3.79Å; F598-F633 HydrophobicContact CE1-CZ 4.42Å; F598-F633 AromaticContact CE2-CE1 3.67Å; F598-F633 HydrophobicContact CE2-CE1 3.67Å; F598-F633 HydrophobicContact CE2-CE2 4.18Å; F598-F633 AromaticContact CE2-CZ 3.42Å; F598-F633 HydrophobicContact CE2-CZ 3.42Å; F598-F633 VanDerWaalsContact CE2-CZ 3.42Å; F598-F633 HydrophobicContact CG-CZ 4.4Å; F598-F633 HydrophobicContact CZ-CE1 4.16Å; F598-F633 AromaticContact CZ-CZ 3.77Å; F598-F633 HydrophobicContact CZ-CZ 3.77Å; F598-I698 HydrophobicContact CE1-CD1 3.49Å; F598-I698 VanDerWaalsContact CE1-CD1 3.49Å; F598-I698 HydrophobicContact CE1-CG1 4.01Å; F598-I698 HydrophobicContact CE1-CG2 4.19Å; F598-I698 HydrophobicContact CZ-CD1 3.89Å; F598-I698 HydrophobicContact CZ-CG1 4.41Å; F598-I698 HydrophobicContact CZ-CG2 3.8Å; F598-F708 HydrophobicContact CZ-CZ 4.28Å
599	R	93.9	Very high	91.9	Very high	33 Å²	33	41.5 Å²	41.5	13%	0.125	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.4	165.6	175.4	164.7	-75.2	166	4.3	109.6	L562 E592 V601 L608 D609	L562-R599 HydrophobicContact CD2-CB 3.66Å; E592-R599 PolarHBondContact N-O 2.84Å; E592-R599 PolarHBondContact O-N 3.38Å; R599-V601 HydrophobicContact CG-CG2 3.77Å; R599-L608 CarbonylContact C-O 3.53Å; R599-L608 WeakPolarHBondContact CA-O 3.26Å; R599-D609 WeakPolarHBondContact CG-OD1 3.26Å; R599-D609 IonicContact CZ-OD1 2.7Å; R599-D609 IonicContact CZ-OD2 2.61Å; R599-D609 IonicContact NE-OD1 2.79Å; R599-D609 PolarHBondContact NE-OD1 2.99Å; R599-D609 IonicContact NE-OD2 3.64Å; R599-D609 IonicContact NH2-OD1 3.77Å; R599-D609 PolarHBondContact NH2-OD1 3.34Å; R599-D609 IonicContact NH2-OD2 2.63Å; R599-D609 PolarHBondContact NH2-OD2 3.08Å
600	Y	94.8	Very high	91.9	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.1	165.4	177.5	-102.6	0	0	0	109.4	L576 V578 M582 L587 G589 T590 A602 R607 L608 F651	L576-Y600 HydrophobicContact CB-CE2 4.24Å; L576-Y600 PolarHBondContact O-OH 3.44Å; V578-Y600 HydrophobicContact CB-CD1 4.31Å; V578-Y600 HydrophobicContact CB-CE1 3.84Å; V578-Y600 HydrophobicContact CG1-CD1 4.35Å; V578-Y600 HydrophobicContact CG1-CE1 3.63Å; M582-Y600 HydrophobicContact SD-CD1 4.25Å; M582-Y600 HydrophobicContact SD-CE1 4.29Å; L587-Y600 PolarHBondContact O-OH 2.93Å; G589-Y600 WeakPolarHBondContact CA-OH 3.26Å; G589-Y600 PolarHBondContact N-OH 3.4Å; T590-Y600 WeakPolarHBondContact O-CA 3.44Å; Y600-A602 HydrophobicContact CE1-CB 4.11Å; Y600-R607 VanDerWaalsContact O-CA 3.31Å; Y600-R607 WeakPolarHBondContact O-CA 3.18Å; Y600-L608 PolarHBondContact N-O 2.9Å; Y600-L608 PolarHBondContact O-N 2.85Å; Y600-F651 HydrophobicContact CD1-CE1 4.23Å; Y600-F651 AromaticContact CD2-CD1 3.72Å; Y600-F651 HydrophobicContact CD2-CD1 3.72Å; Y600-F651 AromaticContact CD2-CE1 3.47Å; Y600-F651 HydrophobicContact CD2-CE1 3.47Å; Y600-F651 VanDerWaalsContact CD2-CE1 3.47Å; Y600-F651 HydrophobicContact CD2-CZ 4.5Å; Y600-F651 HydrophobicContact CE2-CD1 4.06Å; Y600-F651 HydrophobicContact CE2-CE1 4.14Å; Y600-F651 HydrophobicContact CG-CD1 4.23Å; Y600-F651 AromaticContact CG-CE1 3.51Å; Y600-F651 HydrophobicContact CG-CE1 3.51Å; Y600-F651 HydrophobicContact CG-CZ 4.33Å
601	V	93.5	Very high	91.8	Very high	42 Å²	42	40.1 Å²	40.1	26%	0.255	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.7	175.6	-173.8	0	0	0	0	108.3	G589 T590 R599	G589-V601 CarbonylContact C-O 3.49Å; G589-V601 WeakPolarHBondContact CA-O 3.36Å; T590-V601 PolarHBondContact N-O 2.89Å; T590-V601 PolarHBondContact O-N 3.42Å; R599-V601 HydrophobicContact CG-CG2 3.77Å
602	A	92.1	Very high	91.7	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	156.1	173.4	0	0	0	0	0	110.7	L587 Y600 R604 G605 D606	L587-A602 HydrophobicContact CB-CB 4.27Å; L587-A602 HydrophobicContact CD1-CB 4.13Å; Y600-A602 HydrophobicContact CE1-CB 4.11Å; A602-R604 PolarHBondContact O-N 3.44Å; A602-R604 VanDerWaalsContact O-N 3.09Å; A602-G605 WeakPolarHBondContact O-CA 3.37Å; A602-G605 PolarHBondContact O-N 2.92Å; A602-D606 HydrophobicContact CB-CB 4.16Å; A602-D606 PolarHBondContact N-O 2.67Å
603	S	88.5	Confident	91.7	Very high	97 Å²	97	46.9 Å²	46.9	68%	0.678	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-28.5	176.1	56.4	0	0	0	0	114.1	I588 G605	I588-S603 VanDerWaalsContact O-CB 3.32Å; I588-S603 WeakPolarHBondContact O-CB 3.45Å; I588-S603 PolarHBondContact O-N 2.75Å; I588-S603 PolarHBondContact O-OG 3.24Å; S603-G605 VanDerWaalsContact C-N 3.32Å
604	R	86.1	Confident	91.8	Very high	178 Å²	178	47 Å²	47	67%	0.672	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.4	175.3	-179	176	152.5	155.1	-0.5	113.9	A602 D606	A602-R604 PolarHBondContact O-N 3.44Å; A602-R604 VanDerWaalsContact O-N 3.09Å; R604-D606 WeakPolarHBondContact CD-OD2 3.45Å; R604-D606 IonicContact NE-OD2 3.87Å
605	G	86.1	Confident	91.9	Very high	41 Å²	41	47.2 Å²	47.2	42%	0.423	24%	0.237	S	C	.	.	S	Bend	trans	95	0.6	-176.1	0	0	0	0	0	114.8	A602 S603 R607	A602-G605 WeakPolarHBondContact O-CA 3.37Å; A602-G605 PolarHBondContact O-N 2.92Å; S603-G605 VanDerWaalsContact C-N 3.32Å; G605-R607 WeakPolarHBondContact O-CG 3.13Å
606	D	88.6	Confident	92.2	Very high	47 Å²	47	46.5 Å²	46.5	25%	0.251	23%	0.228	S	C	.	.			trans	-63.6	138	170.9	-59.5	-41.1	0	0	0	109.5	M582 A602 R604	M582-D606 HydrophobicContact CE-CB 3.75Å; M582-D606 HydrophobicContact SD-CB 4.23Å; A602-D606 HydrophobicContact CB-CB 4.16Å; A602-D606 PolarHBondContact N-O 2.67Å; R604-D606 WeakPolarHBondContact CD-OD2 3.45Å; R604-D606 IonicContact NE-OD2 3.87Å
607	R	91	Very high	92.4	Very high	166 Å²	166	46.1 Å²	46.1	63%	0.626	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.1	-173.6	-56.6	179.2	-171.8	175.5	0.3	110.3	Y600 G605	Y600-R607 VanDerWaalsContact O-CA 3.31Å; Y600-R607 WeakPolarHBondContact O-CA 3.18Å; G605-R607 WeakPolarHBondContact O-CG 3.13Å
608	L	92.5	Very high	92.5	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.3	172.2	174.6	64.8	0	0	0	108.6	V578 M582 R599 Y600 I610 I639 Y641 V649 F651	V578-L608 HydrophobicContact CG2-CD2 4.11Å; M582-L608 HydrophobicContact CE-CB 4.17Å; M582-L608 HydrophobicContact SD-CB 4.42Å; R599-L608 CarbonylContact C-O 3.53Å; R599-L608 WeakPolarHBondContact CA-O 3.26Å; Y600-L608 PolarHBondContact N-O 2.9Å; Y600-L608 PolarHBondContact O-N 2.85Å; L608-I610 HydrophobicContact CG-CG1 4.44Å; L608-I639 HydrophobicContact CD1-CD1 3.92Å; L608-Y641 HydrophobicContact CD1-CD1 3.55Å; L608-Y641 HydrophobicContact CD1-CD2 4.26Å; L608-Y641 HydrophobicContact CD1-CE1 4.09Å; L608-Y641 HydrophobicContact CD1-CG 3.63Å; L608-Y641 HydrophobicContact CD2-CD1 4.4Å; L608-Y641 HydrophobicContact CD2-CD2 4.47Å; L608-Y641 HydrophobicContact CD2-CE1 4.16Å; L608-Y641 HydrophobicContact CD2-CE2 4.24Å; L608-V649 HydrophobicContact CD2-CG1 3.93Å; L608-F651 HydrophobicContact CD2-CZ 4.46Å
609	D	93.8	Very high	92.6	Very high	60 Å²	60	46.4 Å²	46.4	32%	0.321	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.7	-178.1	-68	-11.5	0	0	0	109.7	L562 F598 R599	L562-D609 HydrophobicContact CB-CB 4.13Å; L562-D609 HydrophobicContact CD2-CB 4.21Å; F598-D609 CarbonylContact O-C 3.55Å; F598-D609 WeakPolarHBondContact O-CA 3.36Å; R599-D609 WeakPolarHBondContact CG-OD1 3.26Å; R599-D609 IonicContact CZ-OD1 2.7Å; R599-D609 IonicContact CZ-OD2 2.61Å; R599-D609 IonicContact NE-OD1 2.79Å; R599-D609 PolarHBondContact NE-OD1 2.99Å; R599-D609 IonicContact NE-OD2 3.64Å; R599-D609 IonicContact NH2-OD1 3.77Å; R599-D609 PolarHBondContact NH2-OD1 3.34Å; R599-D609 IonicContact NH2-OD2 2.63Å; R599-D609 PolarHBondContact NH2-OD2 3.08Å
610	I	94.5	Very high	92.7	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	116.2	179.1	-56.5	174	0	0	0	108.3	G597 F598 L608 I615 F633 L635 I639 V649 F651	G597-I610 CarbonylContact C-O 3.56Å; G597-I610 WeakPolarHBondContact CA-O 3.18Å; F598-I610 HydrophobicContact CB-CB 4.44Å; F598-I610 PolarHBondContact N-O 3.05Å; F598-I610 PolarHBondContact O-N 3.43Å; L608-I610 HydrophobicContact CG-CG1 4.44Å; I610-I615 HydrophobicContact CG2-CD1 4.24Å; I610-I615 HydrophobicContact CG2-CG1 4.01Å; I610-F633 HydrophobicContact CD1-CD2 4.08Å; I610-L635 HydrophobicContact CG2-CD2 3.74Å; I610-I639 HydrophobicContact CG1-CD1 4.24Å; I610-V649 HydrophobicContact CD1-CB 4.06Å; I610-V649 HydrophobicContact CD1-CG1 3.88Å; I610-V649 HydrophobicContact CD1-CG2 4.43Å; I610-F651 HydrophobicContact CD1-CE2 3.91Å; I610-F651 HydrophobicContact CD1-CZ 3.95Å
611	L	93.8	Very high	92.7	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.058	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	143.2	-179	-59.5	178.5	0	0	0	111.9	Q559 D560 L562 N596 K613 N614	Q559-L611 HydrophobicContact CB-CD1 4.09Å; D560-L611 HydrophobicContact CB-CD1 3.72Å; D560-L611 WeakPolarHBondContact O-CD1 3.48Å; L562-L611 HydrophobicContact CB-CD2 4.43Å; L562-L611 HydrophobicContact CD1-CD2 4.04Å; N596-L611 WeakPolarHBondContact O-CA 3.27Å; L611-K613 PolarHBondContact O-N 3.41Å; L611-N614 HydrophobicContact CB-CB 4.48Å; L611-N614 PolarHBondContact O-N 2.92Å; L611-N614 VanDerWaalsContact O-N 3.09Å
612	Y	93.3	Very high	92.8	Very high	20 Å²	20	45.1 Å²	45.1	8%	0.078	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-57.9	-39	176.7	-59.5	-36.4	0	0	0	112.2	H594 N596 G597 F598 N614 I615 T702 V706	H594-Y612 PolarHBondContact N-OH 3.48Å; H594-Y612 WeakPolarHBondContact O-CE2 3.39Å; H594-Y612 PolarHBondContact O-OH 3.44Å; N596-Y612 PolarHBondContact O-N 3.49Å; G597-Y612 VanDerWaalsContact CA-CE1 3.46Å; G597-Y612 PolarHBondContact O-OH 3.09Å; F598-Y612 HydrophobicContact CD1-CE1 4.28Å; F598-Y612 HydrophobicContact CD2-CD1 4.1Å; F598-Y612 AromaticContact CD2-CE1 3.8Å; F598-Y612 HydrophobicContact CD2-CE1 3.8Å; F598-Y612 HydrophobicContact CE1-CE1 4Å; F598-Y612 AromaticContact CE2-CD1 3.76Å; F598-Y612 HydrophobicContact CE2-CD1 3.76Å; F598-Y612 AromaticContact CE2-CE1 3.51Å; F598-Y612 HydrophobicContact CE2-CE1 3.51Å; F598-Y612 HydrophobicContact CG-CE1 4.19Å; F598-Y612 HydrophobicContact CZ-CD1 4.25Å; F598-Y612 AromaticContact CZ-CE1 3.63Å; F598-Y612 HydrophobicContact CZ-CE1 3.63Å; Y612-N614 PolarHBondContact O-N 3.48Å; Y612-I615 HydrophobicContact CD1-CD1 4.44Å; Y612-I615 PolarHBondContact O-N 3.1Å; Y612-T702 HydrophobicContact CD1-CG2 4.33Å; Y612-T702 HydrophobicContact CD2-CG2 3.89Å; Y612-T702 HydrophobicContact CE1-CG2 4.17Å; Y612-T702 HydrophobicContact CE2-CG2 3.71Å; Y612-T702 HydrophobicContact CG-CG2 4.22Å; Y612-V706 HydrophobicContact CD1-CG2 4.1Å; Y612-V706 HydrophobicContact CG-CG2 4.23Å
613	K	92.1	Very high	92.7	Very high	152 Å²	152	45 Å²	45	66%	0.661	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-60.6	-31.1	179.5	-66.1	-178.3	-177.6	173.7	0	113.5	D560 L611 K636	D560-K613 IonicContact OD2-NZ 3.36Å; L611-K613 PolarHBondContact O-N 3.41Å; K613-K636 PolarHBondContact O-NZ 2.87Å
614	N	93.7	Very high	92.7	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.027	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-88.3	-6.4	-176.3	-163.8	29.9	0	0	0	112.7	L611 Y612 K616 L635 K636 D637	L611-N614 HydrophobicContact CB-CB 4.48Å; L611-N614 PolarHBondContact O-N 2.92Å; L611-N614 VanDerWaalsContact O-N 3.09Å; Y612-N614 PolarHBondContact O-N 3.48Å; N614-K616 PolarHBondContact O-N 3.21Å; N614-L635 CarbonylContact O-C 3.49Å; N614-L635 VanDerWaalsContact O-CA 3.24Å; N614-L635 WeakPolarHBondContact O-CA 3.3Å; N614-K636 PolarHBondContact O-N 3.42Å; N614-D637 PolarHBondContact ND2-O 3.03Å; N614-D637 PolarHBondContact OD1-N 3.3Å
615	I	94.5	Very high	92.6	Very high	13 Å²	13	39 Å²	39	7%	0.067	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	123.2	174.8	-61.5	170.8	0	0	0	107.8	F598 I610 Y612 A618 F633 L635 K636 V706	F598-I615 HydrophobicContact CD2-CD1 3.97Å; F598-I615 HydrophobicContact CE2-CD1 3.6Å; I610-I615 HydrophobicContact CG2-CD1 4.24Å; I610-I615 HydrophobicContact CG2-CG1 4.01Å; Y612-I615 HydrophobicContact CD1-CD1 4.44Å; Y612-I615 PolarHBondContact O-N 3.1Å; I615-A618 HydrophobicContact CG2-CB 4.1Å; I615-F633 HydrophobicContact CD1-CD1 3.78Å; I615-F633 HydrophobicContact CD1-CE1 3.99Å; I615-F633 HydrophobicContact CD1-CG 4.35Å; I615-F633 HydrophobicContact CG1-CD1 4.29Å; I615-F633 HydrophobicContact CG2-CD1 4.15Å; I615-L635 HydrophobicContact CG1-CD2 4.13Å; I615-K636 WeakPolarHBondContact O-CE 3.49Å; I615-V706 HydrophobicContact CD1-CG1 4.48Å; I615-V706 HydrophobicContact CD1-CG2 4.41Å
616	K	94.2	Very high	92.7	Very high	60 Å²	60	38.6 Å²	38.6	26%	0.261	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-52.5	171.8	-173.9	173.1	162	-173	0	109.7	N614 H634 K636 T747 E750	N614-K616 PolarHBondContact O-N 3.21Å; K616-H634 WeakPolarHBondContact CA-O 3.41Å; K616-H634 WeakPolarHBondContact CB-O 3.47Å; K616-H634 PolarHBondContact N-O 2.86Å; K616-K636 HydrophobicContact CB-CG 3.7Å; K616-K636 HydrophobicContact CG-CG 4.31Å; K616-T747 VanDerWaalsContact CE-OG1 3.31Å; K616-T747 WeakPolarHBondContact CE-OG1 3.46Å; K616-T747 PolarHBondContact NZ-OG1 3.27Å; K616-E750 WeakPolarHBondContact CE-OE1 3.48Å; K616-E750 IonicContact NZ-OE1 3Å; K616-E750 PolarHBondContact NZ-OE1 3.45Å; K616-E750 IonicContact NZ-OE2 2.65Å; K616-E750 PolarHBondContact NZ-OE2 2.77Å
617	H	95.5	Very high	92.7	Very high	28 Å²	28	40.7 Å²	40.7	13%	0.13	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.8	176.1	-56.5	-60.6	0	0	0	110.6	F619 H634 C734 T747	H617-F619 HydrophobicContact CB-CD2 4.48Å; H617-F619 HydrophobicContact CB-CE1 4.32Å; H617-F619 HydrophobicContact CB-CE2 3.61Å; H617-F619 HydrophobicContact CB-CZ 3.5Å; H617-H634 HydrophobicContact CB-CB 4.17Å; H617-H634 AromaticContact CD2-CD2 3.89Å; H617-H634 PolarHBondContact N-O 3.48Å; H617-H634 VanDerWaalsContact N-O 3.1Å; H617-H634 PolarHBondContact O-N 2.87Å; H617-C734 PolarHBondContact CD2-SG 2.74Å; H617-C734 VanDerWaalsContact CE1-SG 3.59Å; H617-C734 PolarHBondContact NE2-SG 3.4Å; H617-T747 WeakPolarHBondContact NE2-CG2 3.28Å; H617-T747 PolarHBondContact NE2-OG1 2.95Å
618	A	96	Very high	92.8	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.033	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128	172	0	0	0	0	0	108.9	I615 H632 F633 V706 F708 D709	I615-A618 HydrophobicContact CG2-CB 4.1Å; A618-H632 CarbonylContact C-O 3.53Å; A618-H632 WeakPolarHBondContact CA-O 3.41Å; A618-F633 HydrophobicContact CB-CD1 3.87Å; A618-F633 HydrophobicContact CB-CE1 3.94Å; A618-V706 HydrophobicContact CB-CG1 3.75Å; A618-F708 HydrophobicContact CB-CD1 3.81Å; A618-F708 HydrophobicContact CB-CE1 3.85Å; A618-F708 HydrophobicContact CB-CG 4.39Å; A618-F708 HydrophobicContact CB-CZ 4.47Å; A618-F708 WeakPolarHBondContact O-CA 3.49Å; A618-D709 PolarHBondContact O-N 3.04Å
619	F	96.5	Very high	92.9	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.1	-179.8	-54.6	-75	0	0	0	111.1	H617 I631 H632 D709 T731 C734 V736 L738 V745	H617-F619 HydrophobicContact CB-CD2 4.48Å; H617-F619 HydrophobicContact CB-CE1 4.32Å; H617-F619 HydrophobicContact CB-CE2 3.61Å; H617-F619 HydrophobicContact CB-CZ 3.5Å; F619-I631 CarbonylContact O-C 3.47Å; F619-I631 WeakPolarHBondContact O-CA 3.46Å; F619-H632 HydrophobicContact CB-CB 4.21Å; F619-H632 HydrophobicContact CD2-CB 4.24Å; F619-H632 AromaticContact CD2-CD2 3.88Å; F619-H632 PolarHBondContact N-O 3.29Å; F619-H632 PolarHBondContact O-N 2.89Å; F619-D709 CarbonylContact C-O 3.46Å; F619-D709 VanDerWaalsContact CA-O 3.28Å; F619-D709 WeakPolarHBondContact CA-O 3.46Å; F619-D709 HydrophobicContact CD1-CB 3.95Å; F619-D709 HydrophobicContact CE1-CB 4.2Å; F619-T731 HydrophobicContact CD1-CG2 3.96Å; F619-T731 HydrophobicContact CE1-CG2 3.88Å; F619-C734 HydrophobicContact CE1-CB 4.12Å; F619-C734 HydrophobicContact CZ-CB 3.82Å; F619-V736 HydrophobicContact CD1-CG1 4.45Å; F619-V736 HydrophobicContact CE1-CG1 3.88Å; F619-V736 HydrophobicContact CE2-CG1 3.94Å; F619-V736 HydrophobicContact CZ-CG1 3.59Å; F619-L738 HydrophobicContact CB-CD1 3.46Å; F619-L738 VanDerWaalsContact CB-CD1 3.46Å; F619-L738 HydrophobicContact CD2-CD1 3.96Å; F619-L738 HydrophobicContact CD2-CD2 4.29Å; F619-L738 HydrophobicContact CG-CD1 3.81Å; F619-V745 HydrophobicContact CE2-CG1 3.86Å; F619-V745 HydrophobicContact CE2-CG2 4.18Å; F619-V745 HydrophobicContact CZ-CG1 4.07Å
620	F	95.8	Very high	93	Very high	16 Å²	16	30.5 Å²	30.5	7%	0.07	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.8	166.7	166.9	-123	0	0	0	108.7	P622 V629 F691 K692 F708 D709 P711	F620-P622 HydrophobicContact CZ-CB 4.31Å; F620-V629 HydrophobicContact CE2-CG2 4.03Å; F620-F691 HydrophobicContact CD2-CB 4.09Å; F620-F691 HydrophobicContact CD2-CD1 4.41Å; F620-F691 HydrophobicContact CE2-CB 3.36Å; F620-F691 HydrophobicContact CE2-CD1 4.18Å; F620-F691 HydrophobicContact CE2-CG 4.17Å; F620-F691 HydrophobicContact CZ-CB 3.98Å; F620-K692 HydrophobicContact CE1-CB 4.06Å; F620-K692 HydrophobicContact CZ-CB 4.24Å; F620-F708 HydrophobicContact CB-CB 4.26Å; F620-F708 HydrophobicContact CB-CD1 4.46Å; F620-D709 PolarHBondContact N-O 3.21Å; F620-P711 WeakPolarHBondContact O-CD 3.44Å
621	Q	94.9	Very high	93.1	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.023	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.7	176.1	179.6	178.3	-9.9	0	0	110	L630 P711 S739	Q621-L630 HydrophobicContact CB-CD1 3.78Å; Q621-L630 HydrophobicContact CB-CD2 4.24Å; Q621-L630 HydrophobicContact CB-CG 3.83Å; Q621-L630 PolarHBondContact N-O 2.79Å; Q621-L630 PolarHBondContact O-N 2.91Å; Q621-L630 VanDerWaalsContact O-N 3.17Å; Q621-P711 HydrophobicContact CB-CG 4.41Å; Q621-S739 PolarHBondContact NE2-OG 2.76Å
622	P	94.5	Very high	93.3	Very high	28 Å²	28	29.8 Å²	29.8	18%	0.182	16%	0.158	C	C	.	.			trans	-70.4	159.5	177.8	30	-34.8	0	0	0	111.4	F620 D624 N688	F620-P622 HydrophobicContact CZ-CB 4.31Å; P622-D624 PolarHBondContact O-N 3.48Å; P622-N688 WeakPolarHBondContact CA-OD1 3.41Å
623	C	91.9	Very high	93.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.			trans	-78.4	26.4	176.9	62.1	0	0	0	0	114.4	G625 I628 V629 V655 R684 N688	C623-G625 PolarHBondContact O-N 3.15Å; C623-I628 WeakPolarHBondContact CA-O 3.01Å; C623-V629 HydrophobicContact CB-CB 4.04Å; C623-V655 HydrophobicContact CB-CB 4.38Å; C623-V655 HydrophobicContact CB-CG2 3.75Å; C623-R684 PolarHBondContact O-NH1 2.84Å; C623-R684 VanDerWaalsContact O-NH1 3.11Å; C623-N688 PolarHBondContact N-OD1 3.19Å; C623-N688 PolarHBondContact SG-OD1 2.75Å
624	D	88.5	Confident	93.6	Very high	92 Å²	92	22.8 Å²	22.8	49%	0.492	13%	0.129	S	C	.	.	S	Bend	trans	-81.3	103.6	-177.7	-64.7	-20.5	0	0	0	109.9	P622 E626 N688 R713	P622-D624 PolarHBondContact O-N 3.48Å; D624-E626 PolarHBondContact O-N 3.02Å; D624-N688 PolarHBondContact OD1-ND2 2.62Å; D624-R713 PolarHBondContact O-NH1 3.22Å
625	G	83.8	Confident	93.7	Very high	58 Å²	58	22.7 Å²	22.7	60%	0.598	13%	0.128	S	C	*	.	S	Bend	trans	77.1	7.5	-174.3	0	0	0	0	0	114.4	C623 R713	C623-G625 PolarHBondContact O-N 3.15Å; G625-R713 PolarHBondContact O-NH2 2.97Å
626	E	88.2	Confident	93.6	Very high	32 Å²	32	28 Å²	28	15%	0.15	15%	0.151	C	C	.	.	S	Bend	trans	-120	160.8	177.3	-58.8	-64.1	138.9	0	0	110.1	D624 R684 R713 S739	D624-E626 PolarHBondContact O-N 3.02Å; E626-R684 PolarHBondContact O-NH1 3.05Å; E626-R713 IonicContact OE1-CZ 3.72Å; E626-R713 IonicContact OE1-NH1 2.83Å; E626-R713 PolarHBondContact OE1-NH1 3.4Å; E626-R713 IonicContact OE1-NH2 3.81Å; E626-R713 PolarHBondContact OE1-NH2 3.31Å; E626-S739 WeakPolarHBondContact OE2-CB 3.48Å; E626-S739 PolarHBondContact OE2-OG 2.78Å
627	M	88	Confident	93.5	Very high	92 Å²	92	28.2 Å²	28.2	45%	0.453	16%	0.155	S	C	.	.	S	Bend	trans	-91.2	-0.7	175.9	-65.8	-60.2	-67	0	0	113	V655	M627-V655 VanDerWaalsContact CE-O 3.28Å; M627-V655 WeakPolarHBondContact CE-O 3Å; M627-V655 PolarHBondContact O-N 2.95Å
628	I	92.9	Very high	93.3	Very high	19 Å²	19	28 Å²	28	10%	0.097	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.4	-179.6	63.3	177.8	0	0	0	110.1	C623 L630 F652 T653 E654	C623-I628 WeakPolarHBondContact CA-O 3.01Å; I628-L630 HydrophobicContact CD1-CD2 3.75Å; I628-L630 HydrophobicContact CG1-CD2 4.02Å; I628-F652 HydrophobicContact CB-CD2 4.31Å; I628-F652 HydrophobicContact CG2-CD2 3.99Å; I628-F652 HydrophobicContact CG2-CE2 4.47Å; I628-T653 WeakPolarHBondContact CA-O 3.42Å; I628-E654 HydrophobicContact CG2-CG 3.98Å
629	V	95	Very high	93	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.8	162	59.7	0	0	0	0	107.5	F620 C623 F652 T653 V655 L687 F691	F620-V629 HydrophobicContact CE2-CG2 4.03Å; C623-V629 HydrophobicContact CB-CB 4.04Å; V629-F652 CarbonylContact O-C 3.57Å; V629-F652 WeakPolarHBondContact O-CA 3.13Å; V629-F652 WeakPolarHBondContact O-CB 3.4Å; V629-T653 PolarHBondContact N-O 2.95Å; V629-T653 PolarHBondContact O-N 3.23Å; V629-V655 HydrophobicContact CG1-CG2 4.32Å; V629-L687 HydrophobicContact CG1-CB 4.15Å; V629-L687 HydrophobicContact CG1-CD1 4.32Å; V629-F691 HydrophobicContact CB-CZ 4.49Å; V629-F691 HydrophobicContact CG1-CD2 4.03Å; V629-F691 HydrophobicContact CG1-CE1 4.14Å; V629-F691 HydrophobicContact CG1-CE2 3.57Å; V629-F691 HydrophobicContact CG1-CG 4.5Å; V629-F691 HydrophobicContact CG1-CZ 3.62Å; V629-F691 HydrophobicContact CG2-CB 4.13Å; V629-F691 HydrophobicContact CG2-CD1 3.67Å; V629-F691 HydrophobicContact CG2-CD2 3.96Å; V629-F691 HydrophobicContact CG2-CE1 3.98Å; V629-F691 HydrophobicContact CG2-CE2 4.25Å; V629-F691 HydrophobicContact CG2-CG 3.66Å; V629-F691 HydrophobicContact CG2-CZ 4.25Å
630	L	96	Very high	92.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	155	-172.3	65.6	90.6	0	0	0	113.8	Q621 I628 H632 Q650 F651 F652 L738	Q621-L630 HydrophobicContact CB-CD1 3.78Å; Q621-L630 HydrophobicContact CB-CD2 4.24Å; Q621-L630 HydrophobicContact CB-CG 3.83Å; Q621-L630 PolarHBondContact N-O 2.79Å; Q621-L630 PolarHBondContact O-N 2.91Å; Q621-L630 VanDerWaalsContact O-N 3.17Å; I628-L630 HydrophobicContact CD1-CD2 3.75Å; I628-L630 HydrophobicContact CG1-CD2 4.02Å; L630-H632 HydrophobicContact CD1-CB 4.11Å; L630-Q650 HydrophobicContact CB-CG 4.21Å; L630-Q650 HydrophobicContact CD1-CG 4.38Å; L630-F651 CarbonylContact C-O 3.55Å; L630-F651 VanDerWaalsContact CA-O 3.25Å; L630-F651 WeakPolarHBondContact CA-O 3.48Å; L630-F652 HydrophobicContact CB-CB 3.71Å; L630-L738 HydrophobicContact CD1-CB 3.84Å; L630-L738 HydrophobicContact CD1-CD1 3.97Å; L630-L738 HydrophobicContact CD2-CB 4.15Å
631	I	96.6	Very high	92	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.9	164.6	-60.9	175.2	0	0	0	106.8	L573 F619 F633 Q650 F651 F691 F694 F708	L573-I631 HydrophobicContact CD2-CD1 3.92Å; F619-I631 CarbonylContact O-C 3.47Å; F619-I631 WeakPolarHBondContact O-CA 3.46Å; I631-F633 HydrophobicContact CG2-CE1 4.01Å; I631-F633 HydrophobicContact CG2-CE2 3.97Å; I631-F633 HydrophobicContact CG2-CZ 3.62Å; I631-Q650 CarbonylContact O-C 3.6Å; I631-Q650 WeakPolarHBondContact O-CA 3.48Å; I631-F651 PolarHBondContact N-O 3.38Å; I631-F651 PolarHBondContact O-N 2.82Å; I631-F691 HydrophobicContact CD1-CD1 3.89Å; I631-F691 HydrophobicContact CD1-CE1 4.25Å; I631-F691 HydrophobicContact CG1-CD1 3.68Å; I631-F691 HydrophobicContact CG1-CE1 3.98Å; I631-F694 HydrophobicContact CD1-CD1 3.65Å; I631-F694 HydrophobicContact CD1-CE1 3.81Å; I631-F708 HydrophobicContact CG2-CD1 4.3Å; I631-F708 HydrophobicContact CG2-CE1 3.61Å
632	H	97	Very high	91.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.3	179.7	-170.9	85.3	0	0	0	110.9	A618 F619 L630 D648 Q650 L738	A618-H632 CarbonylContact C-O 3.53Å; A618-H632 WeakPolarHBondContact CA-O 3.41Å; F619-H632 HydrophobicContact CB-CB 4.21Å; F619-H632 HydrophobicContact CD2-CB 4.24Å; F619-H632 AromaticContact CD2-CD2 3.88Å; F619-H632 PolarHBondContact N-O 3.29Å; F619-H632 PolarHBondContact O-N 2.89Å; L630-H632 HydrophobicContact CD1-CB 4.11Å; H632-D648 IonicContact CD2-OD1 2.71Å; H632-D648 IonicContact CE1-OD1 2.72Å; H632-D648 IonicContact NE2-OD1 2.82Å; H632-D648 PolarHBondContact NE2-OD1 3.18Å; H632-Q650 HydrophobicContact CB-CG 4.42Å; H632-L738 HydrophobicContact CB-CD1 3.92Å; H632-L738 HydrophobicContact CB-CD2 4.1Å; H632-L738 HydrophobicContact CB-CG 4.46Å
633	F	96.8	Very high	90.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.6	171.9	-59.9	-60.6	0	0	0	109.4	L591 F598 I610 I615 A618 I631 L635 V649 F651 F708	L591-F633 HydrophobicContact CD2-CE2 4.45Å; F598-F633 HydrophobicContact CD2-CE1 4.32Å; F598-F633 HydrophobicContact CD2-CE2 4.08Å; F598-F633 AromaticContact CD2-CZ 3.79Å; F598-F633 HydrophobicContact CD2-CZ 3.79Å; F598-F633 HydrophobicContact CE1-CZ 4.42Å; F598-F633 AromaticContact CE2-CE1 3.67Å; F598-F633 HydrophobicContact CE2-CE1 3.67Å; F598-F633 HydrophobicContact CE2-CE2 4.18Å; F598-F633 AromaticContact CE2-CZ 3.42Å; F598-F633 HydrophobicContact CE2-CZ 3.42Å; F598-F633 VanDerWaalsContact CE2-CZ 3.42Å; F598-F633 HydrophobicContact CG-CZ 4.4Å; F598-F633 HydrophobicContact CZ-CE1 4.16Å; F598-F633 AromaticContact CZ-CZ 3.77Å; F598-F633 HydrophobicContact CZ-CZ 3.77Å; I610-F633 HydrophobicContact CD1-CD2 4.08Å; I615-F633 HydrophobicContact CD1-CD1 3.78Å; I615-F633 HydrophobicContact CD1-CE1 3.99Å; I615-F633 HydrophobicContact CD1-CG 4.35Å; I615-F633 HydrophobicContact CG1-CD1 4.29Å; I615-F633 HydrophobicContact CG2-CD1 4.15Å; A618-F633 HydrophobicContact CB-CD1 3.87Å; A618-F633 HydrophobicContact CB-CE1 3.94Å; I631-F633 HydrophobicContact CG2-CE1 4.01Å; I631-F633 HydrophobicContact CG2-CE2 3.97Å; I631-F633 HydrophobicContact CG2-CZ 3.62Å; F633-L635 HydrophobicContact CB-CD2 4.32Å; F633-V649 PolarHBondContact N-O 3.48Å; F633-V649 PolarHBondContact O-N 2.92Å; F633-F651 HydrophobicContact CD2-CD2 4.05Å; F633-F651 AromaticContact CD2-CE2 3.73Å; F633-F651 HydrophobicContact CD2-CE2 3.73Å; F633-F651 AromaticContact CE2-CD2 3.79Å; F633-F651 HydrophobicContact CE2-CD2 3.79Å; F633-F651 AromaticContact CE2-CE2 3.65Å; F633-F651 HydrophobicContact CE2-CE2 3.65Å; F633-F708 AromaticContact CE1-CE1 3.71Å; F633-F708 HydrophobicContact CE1-CE1 3.71Å; F633-F708 AromaticContact CE1-CZ 3.98Å; F633-F708 HydrophobicContact CE1-CZ 3.98Å; F633-F708 HydrophobicContact CZ-CE1 4.13Å; F633-F708 HydrophobicContact CZ-CZ 4.27Å
634	H	96.4	Very high	90.1	Very high	25 Å²	25	50.4 Å²	50.4	12%	0.116	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.5	167.2	-174.4	70.8	0	0	0	108.3	K616 H617 D648 V745	K616-H634 WeakPolarHBondContact CA-O 3.41Å; K616-H634 WeakPolarHBondContact CB-O 3.47Å; K616-H634 PolarHBondContact N-O 2.86Å; H617-H634 HydrophobicContact CB-CB 4.17Å; H617-H634 AromaticContact CD2-CD2 3.89Å; H617-H634 PolarHBondContact N-O 3.48Å; H617-H634 VanDerWaalsContact N-O 3.1Å; H617-H634 PolarHBondContact O-N 2.87Å; H634-D648 IonicContact CE1-OD1 3.79Å; H634-D648 IonicContact CE1-OD2 3.68Å; H634-D648 IonicContact CG-OD1 2.75Å; H634-D648 IonicContact ND1-OD1 3.22Å; H634-D648 PolarHBondContact ND1-OD1 3.21Å; H634-D648 IonicContact ND1-OD2 3.26Å; H634-D648 PolarHBondContact ND1-OD2 2.89Å; H634-V745 HydrophobicContact CB-CG1 4.14Å; H634-V745 HydrophobicContact CB-CG2 4.47Å
635	L	94.9	Very high	90.1	Very high	3 Å²	3	49 Å²	49	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	152.4	-171.9	-54.3	177.7	0	0	0	111.8	I610 N614 I615 F633 I639 T647 V649	I610-L635 HydrophobicContact CG2-CD2 3.74Å; N614-L635 CarbonylContact O-C 3.49Å; N614-L635 VanDerWaalsContact O-CA 3.24Å; N614-L635 WeakPolarHBondContact O-CA 3.3Å; I615-L635 HydrophobicContact CG1-CD2 4.13Å; F633-L635 HydrophobicContact CB-CD2 4.32Å; L635-I639 HydrophobicContact CD1-CB 4.34Å; L635-I639 HydrophobicContact CD1-CD1 3.75Å; L635-I639 HydrophobicContact CD1-CG1 3.62Å; L635-I639 HydrophobicContact CD1-CG2 3.91Å; L635-T647 VanDerWaalsContact CB-O 3.24Å; L635-T647 WeakPolarHBondContact CB-O 3.33Å; L635-T647 VanDerWaalsContact CG-O 3.26Å; L635-T647 WeakPolarHBondContact CG-O 3.44Å; L635-T647 PolarHBondContact N-O 3.01Å; L635-V649 HydrophobicContact CD1-CG2 4.28Å
636	K	92.6	Very high	90.4	Very high	124 Å²	124	47.8 Å²	47.8	54%	0.539	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	-52.9	172.6	-62.6	175	-175.9	162	0	110.2	K613 N614 I615 K616	K613-K636 PolarHBondContact O-NZ 2.87Å; N614-K636 PolarHBondContact O-N 3.42Å; I615-K636 WeakPolarHBondContact O-CE 3.49Å; K616-K636 HydrophobicContact CB-CG 3.7Å; K616-K636 HydrophobicContact CG-CG 4.31Å
637	D	91.8	Very high	90.7	Very high	65 Å²	65	49.3 Å²	49.3	35%	0.348	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.9	176.2	-59.9	-55.7	0	0	0	110.2	V557 N614 I639	V557-D637 HydrophobicContact CB-CB 4.07Å; V557-D637 HydrophobicContact CG2-CB 4.2Å; N614-D637 PolarHBondContact ND2-O 3.03Å; N614-D637 PolarHBondContact OD1-N 3.3Å; D637-I639 PolarHBondContact O-N 3.47Å
638	A	90.7	Very high	91.1	Very high	25 Å²	25	45.9 Å²	45.9	21%	0.207	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	133.8	177.3	0	0	0	0	0	111.1	K645 H646 T647	A638-K645 HydrophobicContact CB-CB 3.97Å; A638-H646 WeakPolarHBondContact CA-O 3.34Å; A638-T647 HydrophobicContact CB-CG2 3.8Å
639	I	90	Very high	91.2	Very high	16 Å²	16	45 Å²	45	8%	0.082	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	145.7	176.4	60	172.4	0	0	0	110.4	Q559 L608 I610 L635 D637 Y641 H646 V649	Q559-I639 HydrophobicContact CG-CG2 4.3Å; L608-I639 HydrophobicContact CD1-CD1 3.92Å; I610-I639 HydrophobicContact CG1-CD1 4.24Å; L635-I639 HydrophobicContact CD1-CB 4.34Å; L635-I639 HydrophobicContact CD1-CD1 3.75Å; L635-I639 HydrophobicContact CD1-CG1 3.62Å; L635-I639 HydrophobicContact CD1-CG2 3.91Å; D637-I639 PolarHBondContact O-N 3.47Å; I639-Y641 HydrophobicContact CD1-CD1 3.97Å; I639-Y641 HydrophobicContact CD1-CE1 4.12Å; I639-Y641 HydrophobicContact CG1-CD1 3.97Å; I639-Y641 HydrophobicContact CG1-CE1 4.19Å; I639-H646 PolarHBondContact N-O 3.11Å; I639-H646 PolarHBondContact O-N 3.14Å; I639-V649 HydrophobicContact CD1-CG2 4.12Å
640	L	85.6	Confident	91.2	Very high	82 Å²	82	45 Å²	45	43%	0.429	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	113.9	175.7	-171.9	76.5	0	0	0	109.3	V556 K645	V556-L640 HydrophobicContact CG1-CB 4.4Å; L640-K645 HydrophobicContact CD1-CG 4.36Å
641	Y	85.8	Confident	91.2	Very high	17 Å²	17	45 Å²	45	7%	0.067	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	146	163.5	70.1	-87.6	0	0	0	110.1	P580 M582 L608 I639 K643 H646 V649	P580-Y641 WeakPolarHBondContact CD-OH 3.22Å; P580-Y641 WeakPolarHBondContact CG-OH 3.28Å; P580-Y641 PolarHBondContact O-OH 3.29Å; M582-Y641 HydrophobicContact CB-CD2 4.46Å; M582-Y641 HydrophobicContact CG-CD2 3.93Å; M582-Y641 HydrophobicContact CG-CE2 4.07Å; L608-Y641 HydrophobicContact CD1-CD1 3.55Å; L608-Y641 HydrophobicContact CD1-CD2 4.26Å; L608-Y641 HydrophobicContact CD1-CE1 4.09Å; L608-Y641 HydrophobicContact CD1-CG 3.63Å; L608-Y641 HydrophobicContact CD2-CD1 4.4Å; L608-Y641 HydrophobicContact CD2-CD2 4.47Å; L608-Y641 HydrophobicContact CD2-CE1 4.16Å; L608-Y641 HydrophobicContact CD2-CE2 4.24Å; I639-Y641 HydrophobicContact CD1-CD1 3.97Å; I639-Y641 HydrophobicContact CD1-CE1 4.12Å; I639-Y641 HydrophobicContact CG1-CD1 3.97Å; I639-Y641 HydrophobicContact CG1-CE1 4.19Å; Y641-K643 PolarHBondContact O-N 3.32Å; Y641-H646 HydrophobicContact CD1-CB 4.38Å; Y641-H646 AromaticContact CD1-CD2 3.84Å; Y641-H646 HydrophobicContact CE1-CB 3.67Å; Y641-H646 AromaticContact CE1-CD2 3.48Å; Y641-H646 VanDerWaalsContact CE1-CD2 3.48Å; Y641-H646 WeakPolarHBondContact CE1-CD2 3.35Å; Y641-H646 AromaticContact CE1-CG 3.87Å; Y641-H646 AromaticContact CE2-CD2 3.97Å; Y641-H646 AromaticContact CZ-CD2 3.56Å; Y641-V649 HydrophobicContact CE1-CG2 3.83Å
642	G	80.1	Confident	91.2	Very high	55 Å²	55	45.2 Å²	45.2	57%	0.567	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	-120.7	-165.7	0	0	0	0	0	111.2
643	K	78.1	Confident	91.1	Very high	191 Å²	191	46.1 Å²	46.1	83%	0.83	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.1	-0.2	-177.8	-66.2	-174.6	179.9	-178.9	0	114.5	Y641	Y641-K643 PolarHBondContact O-N 3.32Å
644	R	83.5	Confident	90.8	Very high	163 Å²	163	50.2 Å²	50.2	62%	0.615	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.6	-172.5	-65.5	-175.8	178.9	-177.4	-0.9	110	H646	R644-H646 PolarHBondContact O-CD2 3.41Å
645	K	87.7	Confident	90.2	Very high	61 Å²	61	49 Å²	49	27%	0.265	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	140.8	167.8	-65.2	176.9	-153.1	162.8	0	110.4	R551 E552 E554 V556 A638 L640	R551-K645 PolarHBondContact O-NZ 3.22Å; E552-K645 VanDerWaalsContact CA-CE 3.45Å; E552-K645 WeakPolarHBondContact O-CE 3.43Å; E552-K645 WeakPolarHBondContact OE2-CG 3.45Å; E552-K645 PolarHBondContact OE2-N 3.34Å; E552-K645 VanDerWaalsContact OE2-N 3.11Å; E554-K645 PolarHBondContact O-NZ 2.86Å; V556-K645 HydrophobicContact CG2-CD 3.84Å; V556-K645 HydrophobicContact CG2-CG 3.9Å; A638-K645 HydrophobicContact CB-CB 3.97Å; L640-K645 HydrophobicContact CD1-CG 4.36Å
646	H	91.6	Very high	89.1	Confident	33 Å²	33	50.6 Å²	50.6	15%	0.153	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	120.3	178.5	-64.2	-53.2	0	0	0	110.5	P580 A638 I639 Y641 R644	P580-H646 HydrophobicContact CG-CB 4.31Å; P580-H646 WeakPolarHBondContact CG-CE1 3.42Å; P580-H646 VanDerWaalsContact CG-ND1 3.3Å; P580-H646 WeakPolarHBondContact CG-ND1 3.33Å; A638-H646 WeakPolarHBondContact CA-O 3.34Å; I639-H646 PolarHBondContact N-O 3.11Å; I639-H646 PolarHBondContact O-N 3.14Å; Y641-H646 HydrophobicContact CD1-CB 4.38Å; Y641-H646 AromaticContact CD1-CD2 3.84Å; Y641-H646 HydrophobicContact CE1-CB 3.67Å; Y641-H646 AromaticContact CE1-CD2 3.48Å; Y641-H646 VanDerWaalsContact CE1-CD2 3.48Å; Y641-H646 WeakPolarHBondContact CE1-CD2 3.35Å; Y641-H646 AromaticContact CE1-CG 3.87Å; Y641-H646 AromaticContact CE2-CD2 3.97Å; Y641-H646 AromaticContact CZ-CD2 3.56Å; R644-H646 PolarHBondContact O-CD2 3.41Å
647	T	93.5	Very high	87.8	Confident	64 Å²	64	53 Å²	53	39%	0.393	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-30.1	170.1	47.6	0	0	0	0	111.8	L635 A638	L635-T647 VanDerWaalsContact CB-O 3.24Å; L635-T647 WeakPolarHBondContact CB-O 3.33Å; L635-T647 VanDerWaalsContact CG-O 3.26Å; L635-T647 WeakPolarHBondContact CG-O 3.44Å; L635-T647 PolarHBondContact N-O 3.01Å; A638-T647 HydrophobicContact CB-CG2 3.8Å
648	D	96.2	Very high	86.5	Confident	21 Å²	21	56.8 Å²	56.8	11%	0.112	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.6	-172.8	-70.3	-84.3	0	0	0	109.9	P580 H632 H634 W741 P743	P580-D648 VanDerWaalsContact CD-O 3.31Å; P580-D648 WeakPolarHBondContact CD-O 3.49Å; H632-D648 IonicContact CD2-OD1 2.71Å; H632-D648 IonicContact CE1-OD1 2.72Å; H632-D648 IonicContact NE2-OD1 2.82Å; H632-D648 PolarHBondContact NE2-OD1 3.18Å; H634-D648 IonicContact CE1-OD1 3.79Å; H634-D648 IonicContact CE1-OD2 3.68Å; H634-D648 IonicContact CG-OD1 2.75Å; H634-D648 IonicContact ND1-OD1 3.22Å; H634-D648 PolarHBondContact ND1-OD1 3.21Å; H634-D648 IonicContact ND1-OD2 3.26Å; H634-D648 PolarHBondContact ND1-OD2 2.89Å; D648-W741 HydrophobicContact CB-CH2 4.11Å; D648-P743 HydrophobicContact CB-CG 3.77Å
649	V	95.5	Very high	85.1	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	126.1	177.2	-173.4	0	0	0	0	109.6	V578 L608 I610 F633 L635 I639 Y641 F651	V578-V649 HydrophobicContact CG2-CG1 4.12Å; L608-V649 HydrophobicContact CD2-CG1 3.93Å; I610-V649 HydrophobicContact CD1-CB 4.06Å; I610-V649 HydrophobicContact CD1-CG1 3.88Å; I610-V649 HydrophobicContact CD1-CG2 4.43Å; F633-V649 PolarHBondContact N-O 3.48Å; F633-V649 PolarHBondContact O-N 2.92Å; L635-V649 HydrophobicContact CD1-CG2 4.28Å; I639-V649 HydrophobicContact CD1-CG2 4.12Å; Y641-V649 HydrophobicContact CE1-CG2 3.83Å; V649-F651 HydrophobicContact CG1-CE2 4.1Å; V649-F651 HydrophobicContact CG1-CZ 3.89Å
650	Q	95.4	Very high	83.5	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140	-174.1	-171.2	-175.3	12.2	0	0	110.7	V578 R579 L630 I631 H632 L738 W741	V578-Q650 CarbonylContact C-O 3.53Å; V578-Q650 WeakPolarHBondContact CA-O 3.31Å; R579-Q650 HydrophobicContact CB-CB 4.27Å; R579-Q650 PolarHBondContact N-O 3.22Å; R579-Q650 PolarHBondContact O-N 2.95Å; L630-Q650 HydrophobicContact CB-CG 4.21Å; L630-Q650 HydrophobicContact CD1-CG 4.38Å; I631-Q650 CarbonylContact O-C 3.6Å; I631-Q650 WeakPolarHBondContact O-CA 3.48Å; H632-Q650 HydrophobicContact CB-CG 4.42Å; Q650-L738 PolarHBondContact NE2-O 2.95Å; Q650-W741 HydrophobicContact CB-CZ3 4.36Å
651	F	96.3	Very high	81.8	Confident	1 Å²	1	65.9 Å²	65.9	0%	0.004	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.6	172.5	-57.7	-75.4	0	0	0	109.5	L576 Y577 V578 L591 Y600 L608 I610 L630 I631 F633 V649	L576-F651 HydrophobicContact CD1-CB 4.24Å; Y577-F651 CarbonylContact O-C 3.48Å; Y577-F651 VanDerWaalsContact O-CA 3.24Å; Y577-F651 WeakPolarHBondContact O-CA 3.46Å; V578-F651 HydrophobicContact CB-CD1 4.09Å; V578-F651 HydrophobicContact CB-CE1 3.97Å; V578-F651 HydrophobicContact CG2-CD1 4.1Å; V578-F651 HydrophobicContact CG2-CE1 3.63Å; V578-F651 HydrophobicContact CG2-CZ 4.37Å; L591-F651 HydrophobicContact CD1-CD2 4.15Å; L591-F651 HydrophobicContact CD1-CE1 4.19Å; L591-F651 HydrophobicContact CD1-CE2 3.75Å; L591-F651 HydrophobicContact CD1-CZ 3.77Å; L591-F651 HydrophobicContact CD2-CD2 3.82Å; L591-F651 HydrophobicContact CD2-CE2 4.2Å; L591-F651 HydrophobicContact CD2-CG 4.19Å; Y600-F651 HydrophobicContact CD1-CE1 4.23Å; Y600-F651 AromaticContact CD2-CD1 3.72Å; Y600-F651 HydrophobicContact CD2-CD1 3.72Å; Y600-F651 AromaticContact CD2-CE1 3.47Å; Y600-F651 HydrophobicContact CD2-CE1 3.47Å; Y600-F651 VanDerWaalsContact CD2-CE1 3.47Å; Y600-F651 HydrophobicContact CD2-CZ 4.5Å; Y600-F651 HydrophobicContact CE2-CD1 4.06Å; Y600-F651 HydrophobicContact CE2-CE1 4.14Å; Y600-F651 HydrophobicContact CG-CD1 4.23Å; Y600-F651 AromaticContact CG-CE1 3.51Å; Y600-F651 HydrophobicContact CG-CE1 3.51Å; Y600-F651 HydrophobicContact CG-CZ 4.33Å; L608-F651 HydrophobicContact CD2-CZ 4.46Å; I610-F651 HydrophobicContact CD1-CE2 3.91Å; I610-F651 HydrophobicContact CD1-CZ 3.95Å; L630-F651 CarbonylContact C-O 3.55Å; L630-F651 VanDerWaalsContact CA-O 3.25Å; L630-F651 WeakPolarHBondContact CA-O 3.48Å; I631-F651 PolarHBondContact N-O 3.38Å; I631-F651 PolarHBondContact O-N 2.82Å; F633-F651 HydrophobicContact CD2-CD2 4.05Å; F633-F651 AromaticContact CD2-CE2 3.73Å; F633-F651 HydrophobicContact CD2-CE2 3.73Å; F633-F651 AromaticContact CE2-CD2 3.79Å; F633-F651 HydrophobicContact CE2-CD2 3.79Å; F633-F651 AromaticContact CE2-CE2 3.65Å; F633-F651 HydrophobicContact CE2-CE2 3.65Å; V649-F651 HydrophobicContact CG1-CE2 4.1Å; V649-F651 HydrophobicContact CG1-CZ 3.89Å
652	F	95.4	Very high	80.4	Confident	3 Å²	3	73.2 Å²	73.2	1%	0.013	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157.4	-173.9	73.3	-81.2	0	0	0	113.3	Y577 R579 I628 V629 L630 E654	Y577-F652 VanDerWaalsContact CB-CE1 3.5Å; Y577-F652 HydrophobicContact CD2-CE2 4.18Å; Y577-F652 HydrophobicContact CD2-CZ 4.36Å; Y577-F652 HydrophobicContact CG-CE2 4.44Å; Y577-F652 HydrophobicContact CG-CZ 4.16Å; Y577-F652 PolarHBondContact N-O 2.91Å; Y577-F652 PolarHBondContact O-N 2.87Å; R579-F652 HydrophobicContact CB-CD1 4.4Å; R579-F652 HydrophobicContact CB-CE1 4.05Å; I628-F652 HydrophobicContact CB-CD2 4.31Å; I628-F652 HydrophobicContact CG2-CD2 3.99Å; I628-F652 HydrophobicContact CG2-CE2 4.47Å; V629-F652 CarbonylContact O-C 3.57Å; V629-F652 WeakPolarHBondContact O-CA 3.13Å; V629-F652 WeakPolarHBondContact O-CB 3.4Å; L630-F652 HydrophobicContact CB-CB 3.71Å; F652-E654 HydrophobicContact CD2-CG 4.14Å; F652-E654 HydrophobicContact CE2-CG 3.77Å
653	T	94.5	Very high	79.2	Confident	20 Å²	20	74.3 Å²	74.3	12%	0.123	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.4	170.4	-55.9	0	0	0	0	108.6	D575 I628 V629 L687	D575-T653 PolarHBondContact O-OG1 3.43Å; I628-T653 WeakPolarHBondContact CA-O 3.42Å; V629-T653 PolarHBondContact N-O 2.95Å; V629-T653 PolarHBondContact O-N 3.23Å; T653-L687 HydrophobicContact CG2-CD1 4.33Å; T653-L687 HydrophobicContact CG2-CD2 4.27Å
654	E	91.1	Very high	78.1	Confident	85 Å²	85	73.5 Å²	73.5	40%	0.397	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	138.9	178.2	-62.9	176.3	173.2	0	0	110.6	R586 I628 F652	R586-E654 IonicContact NH1-OE1 2.73Å; R586-E654 PolarHBondContact NH1-OE1 3.44Å; R586-E654 VanDerWaalsContact NH1-OE1 3.09Å; I628-E654 HydrophobicContact CG2-CG 3.98Å; F652-E654 HydrophobicContact CD2-CG 4.14Å; F652-E654 HydrophobicContact CE2-CG 3.77Å
655	V	84	Confident	76.7	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	39%	0.386	C	S	.	.			trans	-118.8	84.9	-174	-166.6	0	0	0	0	108.5	C623 M627 V629 R684 L687	C623-V655 HydrophobicContact CB-CB 4.38Å; C623-V655 HydrophobicContact CB-CG2 3.75Å; M627-V655 VanDerWaalsContact CE-O 3.28Å; M627-V655 WeakPolarHBondContact CE-O 3Å; M627-V655 PolarHBondContact O-N 2.95Å; V629-V655 HydrophobicContact CG1-CG2 4.32Å; V655-R684 HydrophobicContact CG1-CB 4.36Å; V655-R684 HydrophobicContact CG1-CG 3.35Å; V655-L687 HydrophobicContact CB-CD1 4.45Å; V655-L687 HydrophobicContact CG1-CD1 4.27Å; V655-L687 HydrophobicContact CG2-CD1 3.58Å
656	G	71.5	Confident	74.9	Confident	37 Å²	37	72.4 Å²	72.4	38%	0.381	42%	0.419	S	S	.	.	S	Bend	trans	108.8	162.4	-179.9	0	0	0	0	0	113.5
657	E	65.3	Low	73.3	Confident	175 Å²	175	74.5 Å²	74.5	82%	0.818	45%	0.449	S	S	*	.			trans	-118.8	133.9	179.1	-151.4	173.8	-159	0	0	108	T659	E657-T659 PolarHBondContact O-N 3.21Å
658	I	64.1	Low	71.5	Confident	144 Å²	144	77.5 Å²	77.5	74%	0.738	45%	0.453	S	S	*	.			trans	-68.1	102	174.4	-59.7	171.6	0	0	0	106.9	T660	I658-T660 HydrophobicContact CG2-CG2 4.38Å; I658-T660 PolarHBondContact O-N 3.15Å
659	T	61.1	Low	70	Confident	92 Å²	92	81.1 Å²	81.1	56%	0.564	47%	0.473	S	S	*	.			trans	-70.4	100.3	177.6	59.1	0	0	0	0	109.1	E657 D661	E657-T659 PolarHBondContact O-N 3.21Å; T659-D661 PolarHBondContact O-N 3.36Å
660	T	56.3	Low	69.1	Low	120 Å²	120	87.3 Å²	87.3	74%	0.736	51%	0.506	S	S	*	.			trans	-78	-5.4	178.4	46.7	0	0	0	0	113.7	I658 L662	I658-T660 HydrophobicContact CG2-CG2 4.38Å; I658-T660 PolarHBondContact O-N 3.15Å; T660-L662 VanDerWaalsContact C-N 3.32Å; T660-L662 PolarHBondContact O-N 3.21Å
661	D	50.5	Low	68.1	Low	102 Å²	102	94.4 Å²	94.4	55%	0.545	53%	0.532	S	S	.	.			trans	-83.6	69.1	179.1	-79	-21.2	0	0	0	112.2	T659 G663	T659-D661 PolarHBondContact O-N 3.36Å; D661-G663 PolarHBondContact O-N 3.12Å
662	L	56.7	Low	67.3	Low	170 Å²	170	98.2 Å²	98.2	89%	0.89	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-12.5	169.9	-75.8	164.4	0	0	0	112.9	T660	T660-L662 VanDerWaalsContact C-N 3.32Å; T660-L662 PolarHBondContact O-N 3.21Å
663	G	54.6	Low	66.5	Low	78 Å²	78	100.5 Å²	100.5	80%	0.804	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	0.7	-171.7	0	0	0	0	0	117.3	D661	D661-G663 PolarHBondContact O-N 3.12Å
664	K	56	Low	65.9	Low	175 Å²	175	104.9 Å²	104.9	76%	0.761	59%	0.588	S	S	*	*	S	Bend	trans	-124.2	5.4	-170.4	-74.6	-176.7	-179.9	170.6	0	116.4	G666	K664-G666 PolarHBondContact O-N 3.36Å
665	R	53.1	Low	65.5	Low	108 Å²	108	107.5 Å²	107.5	41%	0.408	60%	0.595	S	S	.	*			trans	-90.9	23.6	-173	-69.2	-169.9	178.2	-138.6	4.5	115.8	G667 D673	R665-G667 PolarHBondContact O-N 3.39Å; R665-D673 IonicContact CZ-OD1 3.48Å; R665-D673 IonicContact NH1-OD1 2.98Å; R665-D673 PolarHBondContact NH1-OD1 3.28Å; R665-D673 IonicContact NH1-OD2 3.45Å; R665-D673 PolarHBondContact NH1-OD2 2.98Å
666	G	50.5	Low	65.4	Low	93 Å²	93	109.8 Å²	109.8	96%	0.959	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	28.6	177.6	0	0	0	0	0	116.3	K664	K664-G666 PolarHBondContact O-N 3.36Å
667	G	57.4	Low	66	Low	76 Å²	76	112.3 Å²	112.3	78%	0.784	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-177.7	21.7	-177.5	0	0	0	0	0	115.3	R665	R665-G667 PolarHBondContact O-N 3.39Å
668	R	56.2	Low	67	Low	127 Å²	127	107.8 Å²	107.8	48%	0.479	59%	0.594	S	S	.	*			trans	-84	123.9	175.1	-132.8	174.9	170.8	128.4	-2.5	108.1	D672 D673	R668-D672 HydrophobicContact CG-CB 4.21Å; R668-D673 WeakPolarHBondContact CD-OD1 3.34Å; R668-D673 IonicContact NE-OD1 2.72Å
669	D	65.1	Low	68	Low	97 Å²	97	103.9 Å²	103.9	52%	0.519	58%	0.583	S	S	.	*			trans	-61	133.5	174.6	-173.3	-3.5	0	0	0	108.3	R671 D672	D669-R671 HydrophobicContact CB-CB 4.33Å; D669-R671 PolarHBondContact O-N 3.42Å; D669-R671 PolarHBondContact OD1-N 2.96Å; D669-D672 WeakPolarHBondContact O-CB 3.33Å; D669-D672 PolarHBondContact O-N 3.45Å
670	D	75.1	Confident	69.1	Low	130 Å²	130	102.9 Å²	102.9	70%	0.695	57%	0.572	S	S	*	*	H	α-helix	trans	-49.5	-28.8	176	-71.1	-21.5	0	0	0	111.3	D672 D673 L674	D670-D672 PolarHBondContact O-N 3.17Å; D670-D673 PolarHBondContact O-N 3.23Å; D670-L674 WeakPolarHBondContact O-CG 3.24Å; D670-L674 PolarHBondContact O-N 3.48Å; D670-L674 VanDerWaalsContact O-N 3.07Å
671	R	75.4	Confident	70.6	Confident	149 Å²	149	102.9 Å²	102.9	56%	0.562	56%	0.559	S	S	*	*	H	α-helix	trans	-57.5	-44.2	173.5	-170.2	173.7	-175.4	-164.9	-6.8	113.5	D669 Y675	D669-R671 HydrophobicContact CB-CB 4.33Å; D669-R671 PolarHBondContact O-N 3.42Å; D669-R671 PolarHBondContact OD1-N 2.96Å; R671-Y675 HydrophobicContact CG-CD2 3.85Å; R671-Y675 HydrophobicContact CG-CE2 3.59Å; R671-Y675 WeakPolarHBondContact O-CD2 3.4Å; R671-Y675 PolarHBondContact O-N 3.27Å
672	D	78.8	Confident	72.5	Confident	82 Å²	82	100.6 Å²	100.6	44%	0.439	55%	0.546	S	S	.	.	H	α-helix	trans	-69.2	-37	-177.8	-77.2	-11.3	0	0	0	111.7	R668 D669 D670 Y675 A676	R668-D672 HydrophobicContact CG-CB 4.21Å; D669-D672 WeakPolarHBondContact O-CB 3.33Å; D669-D672 PolarHBondContact O-N 3.45Å; D670-D672 PolarHBondContact O-N 3.17Å; D672-Y675 PolarHBondContact O-N 2.88Å; D672-A676 WeakPolarHBondContact O-CB 3.4Å; D672-A676 PolarHBondContact O-N 3.46Å
673	D	79.6	Confident	74	Confident	50 Å²	50	96.1 Å²	96.1	27%	0.267	52%	0.523	S	S	.	.	H	α-helix	trans	-70.2	-40.9	177.7	-77.2	-20	0	0	0	111.1	R665 R668 D670 Y675 A676 E677	R665-D673 IonicContact CZ-OD1 3.48Å; R665-D673 IonicContact NH1-OD1 2.98Å; R665-D673 PolarHBondContact NH1-OD1 3.28Å; R665-D673 IonicContact NH1-OD2 3.45Å; R665-D673 PolarHBondContact NH1-OD2 2.98Å; R668-D673 WeakPolarHBondContact CD-OD1 3.34Å; R668-D673 IonicContact NE-OD1 2.72Å; D670-D673 PolarHBondContact O-N 3.23Å; D673-Y675 PolarHBondContact O-N 3.27Å; D673-A676 PolarHBondContact O-N 2.93Å; D673-E677 WeakPolarHBondContact O-CG 3.34Å; D673-E677 PolarHBondContact O-N 3.49Å
674	L	81.1	Confident	75.7	Confident	113 Å²	113	95 Å²	95	59%	0.592	50%	0.495	S	S	*	.	H	α-helix	trans	-60.8	-41.3	171.6	-72	172.1	0	0	0	112.7	D670 Q678	D670-L674 WeakPolarHBondContact O-CG 3.24Å; D670-L674 PolarHBondContact O-N 3.48Å; D670-L674 VanDerWaalsContact O-N 3.07Å; L674-Q678 WeakPolarHBondContact O-CB 3.47Å; L674-Q678 PolarHBondContact O-N 3.15Å
675	Y	83.3	Confident	77.4	Confident	140 Å²	140	93.6 Å²	93.6	55%	0.549	48%	0.484	S	S	.	.	H	α-helix	trans	-65.3	-40.5	175.4	-85.2	-66.6	0	0	0	112.3	R671 D672 D673 Q678 A679	R671-Y675 HydrophobicContact CG-CD2 3.85Å; R671-Y675 HydrophobicContact CG-CE2 3.59Å; R671-Y675 WeakPolarHBondContact O-CD2 3.4Å; R671-Y675 PolarHBondContact O-N 3.27Å; D672-Y675 PolarHBondContact O-N 2.88Å; D673-Y675 PolarHBondContact O-N 3.27Å; Y675-Q678 PolarHBondContact O-N 2.96Å; Y675-A679 WeakPolarHBondContact O-CB 3.42Å; Y675-A679 PolarHBondContact O-N 2.85Å
676	A	82.8	Confident	79.3	Confident	48 Å²	48	95.2 Å²	95.2	40%	0.397	50%	0.495	S	S	.	.	H	α-helix	trans	-63.1	-46.1	177.6	0	0	0	0	0	111.4	D672 D673 Q678 A679 E680	D672-A676 WeakPolarHBondContact O-CB 3.4Å; D672-A676 PolarHBondContact O-N 3.46Å; D673-A676 PolarHBondContact O-N 2.93Å; A676-Q678 VanDerWaalsContact C-N 3.34Å; A676-Q678 PolarHBondContact O-N 2.75Å; A676-A679 PolarHBondContact O-N 3.27Å; A676-E680 PolarHBondContact O-N 3.42Å
677	E	83.3	Confident	81.4	Confident	89 Å²	89	92.2 Å²	92.2	42%	0.416	46%	0.456	S	S	.	.	H	α-helix	trans	-61.7	-41	175.2	-70.7	-171.5	-175.4	0	0	112.4	D673 E680 R681	D673-E677 WeakPolarHBondContact O-CG 3.34Å; D673-E677 PolarHBondContact O-N 3.49Å; E677-E680 PolarHBondContact O-N 3.04Å; E677-R681 WeakPolarHBondContact O-CG 3.49Å; E677-R681 PolarHBondContact O-N 3.2Å; E677-R681 IonicContact OE2-CZ 3.88Å; E677-R681 IonicContact OE2-NH1 3.64Å; E677-R681 PolarHBondContact OE2-NH1 2.98Å; E677-R681 IonicContact OE2-NH2 4Å; E677-R681 PolarHBondContact OE2-NH2 2.92Å
678	Q	86.3	Confident	83.1	Confident	81 Å²	81	89.8 Å²	89.8	38%	0.379	43%	0.426	S	S	.	.	H	α-helix	trans	-66.1	-40.1	178.5	-170.9	59.8	37.3	0	0	111.6	L674 Y675 A676 E680 R681 D682	L674-Q678 WeakPolarHBondContact O-CB 3.47Å; L674-Q678 PolarHBondContact O-N 3.15Å; Y675-Q678 PolarHBondContact O-N 2.96Å; A676-Q678 VanDerWaalsContact C-N 3.34Å; A676-Q678 PolarHBondContact O-N 2.75Å; Q678-E680 VanDerWaalsContact C-N 3.32Å; Q678-E680 PolarHBondContact O-N 3.24Å; Q678-R681 PolarHBondContact O-N 2.77Å; Q678-D682 PolarHBondContact NE2-OD1 3.42Å; Q678-D682 VanDerWaalsContact NE2-OD1 3.14Å; Q678-D682 WeakPolarHBondContact O-CB 3.45Å; Q678-D682 VanDerWaalsContact O-CG 3.25Å; Q678-D682 PolarHBondContact O-N 2.98Å
679	A	85.3	Confident	85	Confident	61 Å²	61	89 Å²	89	50%	0.504	43%	0.43	S	S	.	.	H	α-helix	trans	-62.7	-39.3	175.2	0	0	0	0	0	111.8	Y675 A676 D682 L683	Y675-A679 WeakPolarHBondContact O-CB 3.42Å; Y675-A679 PolarHBondContact O-N 2.85Å; A676-A679 PolarHBondContact O-N 3.27Å; A679-D682 PolarHBondContact O-N 2.81Å; A679-L683 WeakPolarHBondContact O-CB 3.25Å; A679-L683 PolarHBondContact O-N 3.2Å
680	E	84.7	Confident	86.3	Confident	71 Å²	71	86.5 Å²	86.5	33%	0.332	42%	0.422	S	S	.	.	H	α-helix	trans	-65.6	-45.5	175.1	-167.1	-170	147.6	0	0	111.8	A676 E677 Q678 D682 L683 R684	A676-E680 PolarHBondContact O-N 3.42Å; E677-E680 PolarHBondContact O-N 3.04Å; Q678-E680 VanDerWaalsContact C-N 3.32Å; Q678-E680 PolarHBondContact O-N 3.24Å; E680-D682 VanDerWaalsContact C-N 3.31Å; E680-D682 PolarHBondContact O-N 3.07Å; E680-L683 PolarHBondContact O-N 2.91Å; E680-R684 WeakPolarHBondContact O-CG 3.23Å; E680-R684 PolarHBondContact O-N 3.24Å; E680-R684 IonicContact OE1-CZ 2.68Å; E680-R684 VanDerWaalsContact OE1-CZ 3.26Å; E680-R684 IonicContact OE1-NE 3.88Å; E680-R684 PolarHBondContact OE1-NE 3.27Å; E680-R684 IonicContact OE1-NH2 2.65Å; E680-R684 PolarHBondContact OE1-NH2 2.73Å
681	R	86.5	Confident	87.3	Confident	121 Å²	121	80.4 Å²	80.4	46%	0.457	39%	0.389	S	S	.	.	H	α-helix	trans	-59.7	-41.2	174.8	-71.6	177.3	-174.5	110.2	8.6	111.6	E677 Q678 R685	E677-R681 WeakPolarHBondContact O-CG 3.49Å; E677-R681 PolarHBondContact O-N 3.2Å; E677-R681 IonicContact OE2-CZ 3.88Å; E677-R681 IonicContact OE2-NH1 3.64Å; E677-R681 PolarHBondContact OE2-NH1 2.98Å; E677-R681 IonicContact OE2-NH2 4Å; E677-R681 PolarHBondContact OE2-NH2 2.92Å; Q678-R681 PolarHBondContact O-N 2.77Å; R681-R685 WeakPolarHBondContact O-CG 3.5Å; R681-R685 PolarHBondContact O-N 3.38Å; R681-R685 VanDerWaalsContact O-N 3.09Å
682	D	90.2	Very high	88.2	Confident	53 Å²	53	79 Å²	79	28%	0.283	39%	0.387	S	S	.	.	H	α-helix	trans	-67.3	-38.3	177	-73.4	-4.5	0	0	0	112	Q678 A679 E680 R685 K686	Q678-D682 PolarHBondContact NE2-OD1 3.42Å; Q678-D682 VanDerWaalsContact NE2-OD1 3.14Å; Q678-D682 WeakPolarHBondContact O-CB 3.45Å; Q678-D682 VanDerWaalsContact O-CG 3.25Å; Q678-D682 PolarHBondContact O-N 2.98Å; A679-D682 PolarHBondContact O-N 2.81Å; E680-D682 VanDerWaalsContact C-N 3.31Å; E680-D682 PolarHBondContact O-N 3.07Å; D682-R685 IonicContact OD1-CZ 3.58Å; D682-R685 IonicContact OD1-NE 2.85Å; D682-R685 IonicContact OD1-NH2 2.81Å; D682-R685 PolarHBondContact OD1-NH2 3.14Å; D682-K686 WeakPolarHBondContact O-CB 3.47Å; D682-K686 VanDerWaalsContact O-CG 3.24Å; D682-K686 WeakPolarHBondContact O-CG 3.5Å; D682-K686 PolarHBondContact O-N 2.85Å
683	L	88.4	Confident	88.9	Confident	77 Å²	77	77.6 Å²	77.6	40%	0.403	38%	0.382	S	S	.	.	H	α-helix	trans	-64.7	-49.7	175.4	-178.5	64	0	0	0	111.4	A679 E680 R685 K686 L687	A679-L683 WeakPolarHBondContact O-CB 3.25Å; A679-L683 PolarHBondContact O-N 3.2Å; E680-L683 PolarHBondContact O-N 2.91Å; L683-R685 VanDerWaalsContact C-N 3.32Å; L683-R685 PolarHBondContact O-N 3.08Å; L683-K686 PolarHBondContact O-N 3.24Å; L683-L687 HydrophobicContact CD1-CD1 4.15Å; L683-L687 HydrophobicContact CD1-CG 4.24Å; L683-L687 HydrophobicContact CG-CD1 4.04Å; L683-L687 HydrophobicContact CG-CG 4.5Å; L683-L687 WeakPolarHBondContact O-CB 3.49Å; L683-L687 WeakPolarHBondContact O-CG 3.5Å; L683-L687 PolarHBondContact O-N 2.82Å
684	R	91.1	Very high	89.6	Confident	54 Å²	54	75.6 Å²	75.6	20%	0.204	37%	0.371	C	S	.	.	H	α-helix	trans	-51.8	-50.2	174.7	-75.8	170.4	-177.8	-106	6.1	111.2	C623 E626 V655 E680 K686 L687 N688	C623-R684 PolarHBondContact O-NH1 2.84Å; C623-R684 VanDerWaalsContact O-NH1 3.11Å; E626-R684 PolarHBondContact O-NH1 3.05Å; V655-R684 HydrophobicContact CG1-CB 4.36Å; V655-R684 HydrophobicContact CG1-CG 3.35Å; E680-R684 WeakPolarHBondContact O-CG 3.23Å; E680-R684 PolarHBondContact O-N 3.24Å; E680-R684 IonicContact OE1-CZ 2.68Å; E680-R684 VanDerWaalsContact OE1-CZ 3.26Å; E680-R684 IonicContact OE1-NE 3.88Å; E680-R684 PolarHBondContact OE1-NE 3.27Å; E680-R684 IonicContact OE1-NH2 2.65Å; E680-R684 PolarHBondContact OE1-NH2 2.73Å; R684-K686 PolarHBondContact O-N 3.34Å; R684-L687 PolarHBondContact O-N 2.82Å; R684-N688 PolarHBondContact O-N 3.31Å
685	R	92	Very high	90.2	Very high	145 Å²	145	70.3 Å²	70.3	55%	0.547	34%	0.343	S	S	.	.	H	α-helix	trans	-60.8	-46.4	177.8	-73.3	-169.8	-67.1	177.5	-1.8	112.6	R681 D682 L683 L687 I689	R681-R685 WeakPolarHBondContact O-CG 3.5Å; R681-R685 PolarHBondContact O-N 3.38Å; R681-R685 VanDerWaalsContact O-N 3.09Å; D682-R685 IonicContact OD1-CZ 3.58Å; D682-R685 IonicContact OD1-NE 2.85Å; D682-R685 IonicContact OD1-NH2 2.81Å; D682-R685 PolarHBondContact OD1-NH2 3.14Å; L683-R685 VanDerWaalsContact C-N 3.32Å; L683-R685 PolarHBondContact O-N 3.08Å; R685-L687 PolarHBondContact O-N 2.88Å; R685-I689 WeakPolarHBondContact O-CB 3.3Å; R685-I689 WeakPolarHBondContact O-CD1 3.38Å; R685-I689 VanDerWaalsContact O-CG1 3.23Å; R685-I689 WeakPolarHBondContact O-CG1 3.34Å; R685-I689 PolarHBondContact O-N 3.36Å
686	K	93	Very high	90.6	Very high	143 Å²	143	67.2 Å²	67.2	62%	0.622	34%	0.336	S	S	*	.	H	α-helix	trans	-61.8	-43	179	-76.4	171	-175.5	171.4	0	111.9	D682 L683 R684 A690	D682-K686 WeakPolarHBondContact O-CB 3.47Å; D682-K686 VanDerWaalsContact O-CG 3.24Å; D682-K686 WeakPolarHBondContact O-CG 3.5Å; D682-K686 PolarHBondContact O-N 2.85Å; L683-K686 PolarHBondContact O-N 3.24Å; R684-K686 PolarHBondContact O-N 3.34Å; K686-A690 VanDerWaalsContact O-CB 3.3Å; K686-A690 WeakPolarHBondContact O-CB 3.49Å; K686-A690 PolarHBondContact O-N 3Å
687	L	93.7	Very high	91	Very high	30 Å²	30	72 Å²	72	16%	0.157	34%	0.344	C	S	.	.	H	α-helix	trans	-66.2	-47.9	179.1	-74	176.2	0	0	0	111.8	V629 T653 V655 L683 R684 R685 I689 A690 F691	V629-L687 HydrophobicContact CG1-CB 4.15Å; V629-L687 HydrophobicContact CG1-CD1 4.32Å; T653-L687 HydrophobicContact CG2-CD1 4.33Å; T653-L687 HydrophobicContact CG2-CD2 4.27Å; V655-L687 HydrophobicContact CB-CD1 4.45Å; V655-L687 HydrophobicContact CG1-CD1 4.27Å; V655-L687 HydrophobicContact CG2-CD1 3.58Å; L683-L687 HydrophobicContact CD1-CD1 4.15Å; L683-L687 HydrophobicContact CD1-CG 4.24Å; L683-L687 HydrophobicContact CG-CD1 4.04Å; L683-L687 HydrophobicContact CG-CG 4.5Å; L683-L687 WeakPolarHBondContact O-CB 3.49Å; L683-L687 WeakPolarHBondContact O-CG 3.5Å; L683-L687 PolarHBondContact O-N 2.82Å; R684-L687 PolarHBondContact O-N 2.82Å; R685-L687 PolarHBondContact O-N 2.88Å; L687-I689 VanDerWaalsContact C-N 3.32Å; L687-I689 PolarHBondContact O-N 3.29Å; L687-A690 PolarHBondContact O-N 3.23Å; L687-F691 WeakPolarHBondContact O-CD2 3.15Å; L687-F691 PolarHBondContact O-N 2.85Å
688	N	93.9	Very high	91.3	Very high	25 Å²	25	67.7 Å²	67.7	13%	0.134	32%	0.324	C	S	.	.	H	α-helix	trans	-58.2	-43.7	176.2	-76.3	-10.7	0	0	0	111.8	P622 C623 D624 R684 K692	P622-N688 WeakPolarHBondContact CA-OD1 3.41Å; C623-N688 PolarHBondContact N-OD1 3.19Å; C623-N688 PolarHBondContact SG-OD1 2.75Å; D624-N688 PolarHBondContact OD1-ND2 2.62Å; R684-N688 PolarHBondContact O-N 3.31Å; N688-K692 WeakPolarHBondContact O-CB 3.34Å; N688-K692 PolarHBondContact O-N 3.07Å
689	I	94.8	Very high	91.5	Very high	111 Å²	111	66.5 Å²	66.5	57%	0.569	32%	0.318	S	S	*	.	H	α-helix	trans	-64.3	-43.5	177	-68	166.5	0	0	0	111.1	R685 L687 T693	R685-I689 WeakPolarHBondContact O-CB 3.3Å; R685-I689 WeakPolarHBondContact O-CD1 3.38Å; R685-I689 VanDerWaalsContact O-CG1 3.23Å; R685-I689 WeakPolarHBondContact O-CG1 3.34Å; R685-I689 PolarHBondContact O-N 3.36Å; L687-I689 VanDerWaalsContact C-N 3.32Å; L687-I689 PolarHBondContact O-N 3.29Å; I689-T693 VanDerWaalsContact O-CB 3.29Å; I689-T693 WeakPolarHBondContact O-CB 3.47Å; I689-T693 PolarHBondContact O-N 3.2Å; I689-T693 PolarHBondContact O-OG1 3.37Å
690	A	94.1	Very high	91.7	Very high	43 Å²	43	69 Å²	69	36%	0.355	33%	0.327	S	S	.	.	H	α-helix	trans	-64.3	-46.2	-178.6	0	0	0	0	0	112.1	K686 L687 F694	K686-A690 VanDerWaalsContact O-CB 3.3Å; K686-A690 WeakPolarHBondContact O-CB 3.49Å; K686-A690 PolarHBondContact O-N 3Å; L687-A690 PolarHBondContact O-N 3.23Å; A690-F694 WeakPolarHBondContact O-CB 3.48Å; A690-F694 PolarHBondContact O-N 3.32Å; A690-F694 VanDerWaalsContact O-N 3.08Å
691	F	95.3	Very high	91.8	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.009	34%	0.337	C	S	.	.	H	α-helix	trans	-65.9	-46.6	177.4	-85.8	-117.2	0	0	0	111.5	L573 L576 F620 V629 I631 L687 T693 F694 C695	L573-F691 HydrophobicContact CD1-CD2 4.25Å; L573-F691 HydrophobicContact CD1-CE2 4.35Å; L573-F691 HydrophobicContact CD2-CD1 3.91Å; L573-F691 HydrophobicContact CD2-CD2 4Å; L573-F691 HydrophobicContact CD2-CE1 3.83Å; L573-F691 HydrophobicContact CD2-CE2 3.93Å; L573-F691 HydrophobicContact CD2-CG 3.99Å; L573-F691 HydrophobicContact CD2-CZ 3.86Å; L573-F691 HydrophobicContact CG-CE2 4.43Å; L576-F691 HydrophobicContact CD2-CE1 3.99Å; L576-F691 HydrophobicContact CD2-CE2 4.22Å; L576-F691 HydrophobicContact CD2-CZ 3.38Å; F620-F691 HydrophobicContact CD2-CB 4.09Å; F620-F691 HydrophobicContact CD2-CD1 4.41Å; F620-F691 HydrophobicContact CE2-CB 3.36Å; F620-F691 HydrophobicContact CE2-CD1 4.18Å; F620-F691 HydrophobicContact CE2-CG 4.17Å; F620-F691 HydrophobicContact CZ-CB 3.98Å; V629-F691 HydrophobicContact CB-CZ 4.49Å; V629-F691 HydrophobicContact CG1-CD2 4.03Å; V629-F691 HydrophobicContact CG1-CE1 4.14Å; V629-F691 HydrophobicContact CG1-CE2 3.57Å; V629-F691 HydrophobicContact CG1-CG 4.5Å; V629-F691 HydrophobicContact CG1-CZ 3.62Å; V629-F691 HydrophobicContact CG2-CB 4.13Å; V629-F691 HydrophobicContact CG2-CD1 3.67Å; V629-F691 HydrophobicContact CG2-CD2 3.96Å; V629-F691 HydrophobicContact CG2-CE1 3.98Å; V629-F691 HydrophobicContact CG2-CE2 4.25Å; V629-F691 HydrophobicContact CG2-CG 3.66Å; V629-F691 HydrophobicContact CG2-CZ 4.25Å; I631-F691 HydrophobicContact CD1-CD1 3.89Å; I631-F691 HydrophobicContact CD1-CE1 4.25Å; I631-F691 HydrophobicContact CG1-CD1 3.68Å; I631-F691 HydrophobicContact CG1-CE1 3.98Å; L687-F691 WeakPolarHBondContact O-CD2 3.15Å; L687-F691 PolarHBondContact O-N 2.85Å; F691-T693 PolarHBondContact O-N 3.4Å; F691-F694 WeakPolarHBondContact O-CA 3.37Å; F691-F694 WeakPolarHBondContact O-CB 3.43Å; F691-F694 PolarHBondContact O-N 3.15Å; F691-C695 PolarHBondContact O-N 3.28Å; F691-C695 PolarHBondContact O-SG 3.15Å
692	K	94.1	Very high	91.6	Very high	120 Å²	120	65 Å²	65	52%	0.522	32%	0.317	S	S	.	.	H	α-helix	trans	-58.3	-47.5	176.6	-175.5	173.3	-178.8	171.8	0	112.1	F620 N688 F694 C695 D696	F620-K692 HydrophobicContact CE1-CB 4.06Å; F620-K692 HydrophobicContact CZ-CB 4.24Å; N688-K692 WeakPolarHBondContact O-CB 3.34Å; N688-K692 PolarHBondContact O-N 3.07Å; K692-F694 PolarHBondContact O-N 2.7Å; K692-C695 PolarHBondContact O-N 3.26Å; K692-C695 VanDerWaalsContact O-N 3.16Å; K692-D696 PolarHBondContact O-N 3.39Å
693	T	94	Very high	91.3	Very high	52 Å²	52	69.3 Å²	69.3	32%	0.319	34%	0.34	S	S	.	.	H	α-helix	trans	-60.1	-32.8	176.7	-56	0	0	0	0	112.1	I689 F691 R697	I689-T693 VanDerWaalsContact O-CB 3.29Å; I689-T693 WeakPolarHBondContact O-CB 3.47Å; I689-T693 PolarHBondContact O-N 3.2Å; I689-T693 PolarHBondContact O-OG1 3.37Å; F691-T693 PolarHBondContact O-N 3.4Å; T693-R697 VanDerWaalsContact O-CG 3.24Å; T693-R697 WeakPolarHBondContact O-CG 3.43Å; T693-R697 PolarHBondContact O-N 2.97Å
694	F	93.6	Very high	90.8	Very high	8 Å²	8	72.3 Å²	72.3	4%	0.035	35%	0.352	C	S	.	.	H	α-helix	trans	-70.4	-46.9	176	177.1	-100.7	0	0	0	111.4	P571 L573 L591 I631 A690 F691 K692 R697 I698	P571-F694 HydrophobicContact CB-CD2 3.87Å; P571-F694 HydrophobicContact CB-CE2 3.81Å; L573-F694 HydrophobicContact CB-CD1 4.26Å; L573-F694 HydrophobicContact CB-CD2 3.84Å; L573-F694 HydrophobicContact CB-CE1 4.28Å; L573-F694 HydrophobicContact CB-CE2 3.88Å; L573-F694 HydrophobicContact CB-CG 4.03Å; L573-F694 HydrophobicContact CB-CZ 4.09Å; L573-F694 HydrophobicContact CD1-CB 4.5Å; L573-F694 HydrophobicContact CD2-CB 4.48Å; L573-F694 HydrophobicContact CD2-CD1 3.96Å; L573-F694 HydrophobicContact CD2-CE1 4.34Å; L573-F694 HydrophobicContact CD2-CG 4.2Å; L591-F694 HydrophobicContact CD2-CE1 3.87Å; L591-F694 HydrophobicContact CD2-CZ 3.95Å; L591-F694 HydrophobicContact CG-CZ 4.15Å; I631-F694 HydrophobicContact CD1-CD1 3.65Å; I631-F694 HydrophobicContact CD1-CE1 3.81Å; A690-F694 WeakPolarHBondContact O-CB 3.48Å; A690-F694 PolarHBondContact O-N 3.32Å; A690-F694 VanDerWaalsContact O-N 3.08Å; F691-F694 WeakPolarHBondContact O-CA 3.37Å; F691-F694 WeakPolarHBondContact O-CB 3.43Å; F691-F694 PolarHBondContact O-N 3.15Å; K692-F694 PolarHBondContact O-N 2.7Å; F694-R697 PolarHBondContact O-N 3.26Å; F694-I698 HydrophobicContact CD1-CD1 3.59Å; F694-I698 HydrophobicContact CD2-CD1 4.45Å; F694-I698 HydrophobicContact CE1-CD1 3.28Å; F694-I698 HydrophobicContact CE2-CD1 4.18Å; F694-I698 HydrophobicContact CG-CD1 4.18Å; F694-I698 HydrophobicContact CZ-CD1 3.61Å; F694-I698 WeakPolarHBondContact O-CD1 3.22Å; F694-I698 WeakPolarHBondContact O-CG1 3.3Å; F694-I698 PolarHBondContact O-N 2.93Å
695	C	93.4	Very high	90.4	Very high	3 Å²	3	76.6 Å²	76.6	2%	0.02	38%	0.378	C	S	.	.	H	α-helix	trans	-58	-51	174.2	-67.4	0	0	0	0	111.8	F691 K692 R697 I698 E699 F708	F691-C695 PolarHBondContact O-N 3.28Å; F691-C695 PolarHBondContact O-SG 3.15Å; K692-C695 PolarHBondContact O-N 3.26Å; K692-C695 VanDerWaalsContact O-N 3.16Å; C695-R697 PolarHBondContact O-N 3.05Å; C695-I698 WeakPolarHBondContact O-CB 3.29Å; C695-I698 PolarHBondContact O-N 3.08Å; C695-E699 PolarHBondContact O-N 3.1Å; C695-F708 HydrophobicContact CB-CB 4.24Å; C695-F708 HydrophobicContact CB-CD1 4.48Å; C695-F708 HydrophobicContact CB-CD2 3.73Å; C695-F708 HydrophobicContact CB-CE2 4.19Å; C695-F708 HydrophobicContact CB-CG 3.89Å
696	D	92	Very high	90.2	Very high	74 Å²	74	70 Å²	70	40%	0.396	35%	0.354	S	S	.	.	H	α-helix	trans	-55.7	-39.6	179.7	-63	-14.8	0	0	0	111.8	K692 I698 V700	K692-D696 PolarHBondContact O-N 3.39Å; D696-I698 VanDerWaalsContact C-N 3.34Å; D696-I698 PolarHBondContact O-N 2.9Å; D696-V700 VanDerWaalsContact O-CG2 3.3Å; D696-V700 WeakPolarHBondContact O-CG2 3.45Å; D696-V700 PolarHBondContact O-N 3.45Å
697	R	90.9	Very high	90	Very high	148 Å²	148	69.1 Å²	69.1	56%	0.558	35%	0.352	S	S	*	.	H	α-helix	trans	-68.2	-33	177.4	-74.9	175.6	-172.6	-170.9	4.9	112.8	P571 T693 F694 C695 L701	P571-R697 HydrophobicContact CB-CB 4.41Å; P571-R697 HydrophobicContact CG-CB 4.01Å; T693-R697 VanDerWaalsContact O-CG 3.24Å; T693-R697 WeakPolarHBondContact O-CG 3.43Å; T693-R697 PolarHBondContact O-N 2.97Å; F694-R697 PolarHBondContact O-N 3.26Å; C695-R697 PolarHBondContact O-N 3.05Å; R697-L701 WeakPolarHBondContact O-CB 2.87Å; R697-L701 VanDerWaalsContact O-CG 3.23Å; R697-L701 WeakPolarHBondContact O-CG 3.02Å; R697-L701 PolarHBondContact O-N 3.05Å
698	I	90.5	Very high	90	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-73	-43.4	179.2	-68.8	158.5	0	0	0	110.3	A593 F598 F694 C695 D696 V700 L701 T702 F708	A593-I698 HydrophobicContact CB-CG1 4.09Å; F598-I698 HydrophobicContact CE1-CD1 3.49Å; F598-I698 VanDerWaalsContact CE1-CD1 3.49Å; F598-I698 HydrophobicContact CE1-CG1 4.01Å; F598-I698 HydrophobicContact CE1-CG2 4.19Å; F598-I698 HydrophobicContact CZ-CD1 3.89Å; F598-I698 HydrophobicContact CZ-CG1 4.41Å; F598-I698 HydrophobicContact CZ-CG2 3.8Å; F694-I698 HydrophobicContact CD1-CD1 3.59Å; F694-I698 HydrophobicContact CD2-CD1 4.45Å; F694-I698 HydrophobicContact CE1-CD1 3.28Å; F694-I698 HydrophobicContact CE2-CD1 4.18Å; F694-I698 HydrophobicContact CG-CD1 4.18Å; F694-I698 HydrophobicContact CZ-CD1 3.61Å; F694-I698 WeakPolarHBondContact O-CD1 3.22Å; F694-I698 WeakPolarHBondContact O-CG1 3.3Å; F694-I698 PolarHBondContact O-N 2.93Å; C695-I698 WeakPolarHBondContact O-CB 3.29Å; C695-I698 PolarHBondContact O-N 3.08Å; D696-I698 VanDerWaalsContact C-N 3.34Å; D696-I698 PolarHBondContact O-N 2.9Å; I698-V700 PolarHBondContact O-N 3.38Å; I698-L701 PolarHBondContact O-N 3.21Å; I698-L701 VanDerWaalsContact O-N 3.1Å; I698-T702 HydrophobicContact CG2-CG2 3.96Å; I698-T702 WeakPolarHBondContact O-CB 2.95Å; I698-T702 WeakPolarHBondContact O-CG2 3.38Å; I698-T702 PolarHBondContact O-N 3.35Å; I698-T702 PolarHBondContact O-OG1 2.91Å; I698-F708 HydrophobicContact CB-CE2 3.89Å; I698-F708 HydrophobicContact CD1-CE2 4.06Å; I698-F708 HydrophobicContact CD1-CZ 3.97Å; I698-F708 HydrophobicContact CG2-CE2 3.73Å; I698-F708 HydrophobicContact CG2-CZ 4.25Å
699	E	90.4	Very high	90	Very high	56 Å²	56	68.7 Å²	68.7	26%	0.262	35%	0.349	S	S	.	.	H	α-helix	trans	-57.8	-41.7	177.1	-66.8	-178.1	170.4	0	0	110.8	C695 T702 N703 Q704 F708	C695-E699 PolarHBondContact O-N 3.1Å; E699-T702 PolarHBondContact O-OG1 3.44Å; E699-N703 PolarHBondContact O-N 2.96Å; E699-Q704 PolarHBondContact O-N 3.25Å; E699-F708 HydrophobicContact CG-CD2 3.99Å; E699-F708 PolarHBondContact OE1-N 3.21Å
700	V	89.2	Confident	89.9	Confident	112 Å²	112	66.1 Å²	66.1	68%	0.679	34%	0.338	S	S	*	.	H	α-helix	trans	-65	-43.5	174.1	174.5	0	0	0	0	112.1	D696 I698 N703	D696-V700 VanDerWaalsContact O-CG2 3.3Å; D696-V700 WeakPolarHBondContact O-CG2 3.45Å; D696-V700 PolarHBondContact O-N 3.45Å; I698-V700 PolarHBondContact O-N 3.38Å; V700-N703 PolarHBondContact O-N 2.93Å
701	L	86	Confident	89.9	Confident	103 Å²	103	64.7 Å²	64.7	54%	0.539	33%	0.325	S	S	.	.	H	α-helix	trans	-69.9	-33.5	-179.5	-76.9	171.9	0	0	0	113.5	P571 R697 I698 N703	P571-L701 HydrophobicContact CG-CD1 3.3Å; R697-L701 WeakPolarHBondContact O-CB 2.87Å; R697-L701 VanDerWaalsContact O-CG 3.23Å; R697-L701 WeakPolarHBondContact O-CG 3.02Å; R697-L701 PolarHBondContact O-N 3.05Å; I698-L701 PolarHBondContact O-N 3.21Å; I698-L701 VanDerWaalsContact O-N 3.1Å; L701-N703 VanDerWaalsContact C-N 3.3Å
702	T	83.9	Confident	89.8	Confident	7 Å²	7	69.2 Å²	69.2	4%	0.043	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	0.5	-178	59.9	0	0	0	0	112.4	Y612 I698 E699 Q704 L705 V706	Y612-T702 HydrophobicContact CD1-CG2 4.33Å; Y612-T702 HydrophobicContact CD2-CG2 3.89Å; Y612-T702 HydrophobicContact CE1-CG2 4.17Å; Y612-T702 HydrophobicContact CE2-CG2 3.71Å; Y612-T702 HydrophobicContact CG-CG2 4.22Å; I698-T702 HydrophobicContact CG2-CG2 3.96Å; I698-T702 WeakPolarHBondContact O-CB 2.95Å; I698-T702 WeakPolarHBondContact O-CG2 3.38Å; I698-T702 PolarHBondContact O-N 3.35Å; I698-T702 PolarHBondContact O-OG1 2.91Å; E699-T702 PolarHBondContact O-OG1 3.44Å; T702-Q704 PolarHBondContact O-N 2.96Å; T702-L705 VanDerWaalsContact O-CB 3.27Å; T702-L705 WeakPolarHBondContact O-CB 3.17Å; T702-L705 WeakPolarHBondContact O-CD1 3.39Å; T702-L705 WeakPolarHBondContact O-CG 3.34Å; T702-L705 PolarHBondContact O-N 3.5Å; T702-V706 HydrophobicContact CG2-CG2 4.49Å
703	N	84	Confident	89.6	Confident	142 Å²	142	68 Å²	68	76%	0.759	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	47.2	-172.4	-65.7	-29.8	0	0	0	111.6	E699 V700 L701 L705	E699-N703 PolarHBondContact O-N 2.96Å; V700-N703 PolarHBondContact O-N 2.93Å; L701-N703 VanDerWaalsContact C-N 3.3Å; N703-L705 PolarHBondContact O-N 3.28Å
704	Q	77.7	Confident	89.3	Confident	140 Å²	140	70.6 Å²	70.6	65%	0.654	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	19.1	-178.9	-58.2	171.9	-25.5	0	0	114.8	E699 T702 V706 E707	E699-Q704 PolarHBondContact O-N 3.25Å; T702-Q704 PolarHBondContact O-N 2.96Å; Q704-V706 PolarHBondContact O-N 3.03Å; Q704-E707 HydrophobicContact CB-CG 4.38Å
705	L	82.4	Confident	89.2	Confident	144 Å²	144	73.1 Å²	73.1	75%	0.754	37%	0.371	S	S	*	.	S	Bend	trans	-67	-27.2	169.1	-72.7	167.8	0	0	0	112.3	T702 N703	T702-L705 VanDerWaalsContact O-CB 3.27Å; T702-L705 WeakPolarHBondContact O-CB 3.17Å; T702-L705 WeakPolarHBondContact O-CD1 3.39Å; T702-L705 WeakPolarHBondContact O-CG 3.34Å; T702-L705 PolarHBondContact O-N 3.5Å; N703-L705 PolarHBondContact O-N 3.28Å
706	V	86.4	Confident	89.1	Confident	7 Å²	7	74 Å²	74	4%	0.042	38%	0.381	C	S	.	.	S	Bend	trans	-127.5	114.4	174.5	-178.5	0	0	0	0	107.1	Y612 I615 A618 T702 Q704 F708	Y612-V706 HydrophobicContact CD1-CG2 4.1Å; Y612-V706 HydrophobicContact CG-CG2 4.23Å; I615-V706 HydrophobicContact CD1-CG1 4.48Å; I615-V706 HydrophobicContact CD1-CG2 4.41Å; A618-V706 HydrophobicContact CB-CG1 3.75Å; T702-V706 HydrophobicContact CG2-CG2 4.49Å; Q704-V706 PolarHBondContact O-N 3.03Å; V706-F708 HydrophobicContact CG1-CE2 4.35Å; V706-F708 HydrophobicContact CG1-CZ 4.46Å
707	E	90.3	Very high	89.2	Confident	124 Å²	124	70.7 Å²	70.7	58%	0.579	36%	0.363	S	S	*	.			trans	-106.5	133.6	175.7	-62.1	-175.3	162.2	0	0	108.8	Q704	Q704-E707 HydrophobicContact CB-CG 4.38Å
708	F	93.3	Very high	89.5	Confident	19 Å²	19	69.8 Å²	69.8	8%	0.083	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	110.2	178.4	-72.6	-88.3	0	0	0	110.2	F598 A618 F620 I631 F633 C695 I698 E699 V706	F598-F708 HydrophobicContact CZ-CZ 4.28Å; A618-F708 HydrophobicContact CB-CD1 3.81Å; A618-F708 HydrophobicContact CB-CE1 3.85Å; A618-F708 HydrophobicContact CB-CG 4.39Å; A618-F708 HydrophobicContact CB-CZ 4.47Å; A618-F708 WeakPolarHBondContact O-CA 3.49Å; F620-F708 HydrophobicContact CB-CB 4.26Å; F620-F708 HydrophobicContact CB-CD1 4.46Å; I631-F708 HydrophobicContact CG2-CD1 4.3Å; I631-F708 HydrophobicContact CG2-CE1 3.61Å; F633-F708 AromaticContact CE1-CE1 3.71Å; F633-F708 HydrophobicContact CE1-CE1 3.71Å; F633-F708 AromaticContact CE1-CZ 3.98Å; F633-F708 HydrophobicContact CE1-CZ 3.98Å; F633-F708 HydrophobicContact CZ-CE1 4.13Å; F633-F708 HydrophobicContact CZ-CZ 4.27Å; C695-F708 HydrophobicContact CB-CB 4.24Å; C695-F708 HydrophobicContact CB-CD1 4.48Å; C695-F708 HydrophobicContact CB-CD2 3.73Å; C695-F708 HydrophobicContact CB-CE2 4.19Å; C695-F708 HydrophobicContact CB-CG 3.89Å; I698-F708 HydrophobicContact CB-CE2 3.89Å; I698-F708 HydrophobicContact CD1-CE2 4.06Å; I698-F708 HydrophobicContact CD1-CZ 3.97Å; I698-F708 HydrophobicContact CG2-CE2 3.73Å; I698-F708 HydrophobicContact CG2-CZ 4.25Å; E699-F708 HydrophobicContact CG-CD2 3.99Å; E699-F708 PolarHBondContact OE1-N 3.21Å; V706-F708 HydrophobicContact CG1-CE2 4.35Å; V706-F708 HydrophobicContact CG1-CZ 4.46Å
709	D	93.3	Very high	89.7	Confident	27 Å²	27	69.8 Å²	69.8	14%	0.144	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	143.3	175.6	-158.2	-9	0	0	0	110.8	A618 F619 F620 T731 S732	A618-D709 PolarHBondContact O-N 3.04Å; F619-D709 CarbonylContact C-O 3.46Å; F619-D709 VanDerWaalsContact CA-O 3.28Å; F619-D709 WeakPolarHBondContact CA-O 3.46Å; F619-D709 HydrophobicContact CD1-CB 3.95Å; F619-D709 HydrophobicContact CE1-CB 4.2Å; F620-D709 PolarHBondContact N-O 3.21Å; D709-T731 VanDerWaalsContact OD2-CB 3.24Å; D709-T731 WeakPolarHBondContact OD2-CB 3.36Å; D709-S732 WeakPolarHBondContact OD2-CA 3.29Å; D709-S732 VanDerWaalsContact OD2-CB 3.28Å; D709-S732 WeakPolarHBondContact OD2-CB 3.43Å; D709-S732 PolarHBondContact OD2-N 2.6Å; D709-S732 PolarHBondContact OD2-OG 2.95Å
710	T	93.8	Very high	89.9	Confident	57 Å²	57	68.4 Å²	68.4	35%	0.35	36%	0.356	S	S	.	.			trans	-115.8	121.9	-178.6	-58	0	0	0	0	109.6	F712	T710-F712 PolarHBondContact O-N 3.46Å
711	P	93.8	Very high	90.2	Very high	13 Å²	13	63.6 Å²	63.6	8%	0.084	33%	0.327	C	S	.	.			trans	-59.9	135	-178.7	-23.2	32.5	0	0	0	113.9	F620 Q621 R713 Q729 T731 V736	F620-P711 WeakPolarHBondContact O-CD 3.44Å; Q621-P711 HydrophobicContact CB-CG 4.41Å; P711-R713 PolarHBondContact O-N 3.22Å; P711-R713 VanDerWaalsContact O-N 3.1Å; P711-Q729 HydrophobicContact CB-CB 3.7Å; P711-T731 HydrophobicContact CB-CG2 4.02Å; P711-T731 HydrophobicContact CG-CG2 3.93Å; P711-V736 HydrophobicContact CB-CG2 4.28Å; P711-V736 HydrophobicContact CG-CG2 3.94Å
712	F	92	Very high	90.5	Very high	97 Å²	97	63.8 Å²	63.8	43%	0.425	32%	0.321	S	S	.	.			trans	-80.2	89.3	177.7	-59.8	-64.6	0	0	0	110.7	T710 S714 L715 G716 P730	T710-F712 PolarHBondContact O-N 3.46Å; F712-S714 PolarHBondContact O-N 3.44Å; F712-S714 VanDerWaalsContact O-N 3.12Å; F712-L715 HydrophobicContact CB-CB 4.32Å; F712-L715 HydrophobicContact CB-CD1 4.11Å; F712-L715 HydrophobicContact CB-CG 4.28Å; F712-L715 HydrophobicContact CD2-CD1 4.49Å; F712-L715 HydrophobicContact CG-CD1 4.48Å; F712-L715 PolarHBondContact O-N 2.84Å; F712-G716 PolarHBondContact O-N 2.84Å; F712-P730 WeakPolarHBondContact CD2-O 3.43Å; F712-P730 PolarHBondContact N-O 3.14Å
713	R	89.7	Confident	90.8	Very high	96 Å²	96	75.2 Å²	75.2	36%	0.362	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-55.3	-32.7	-178.9	-172	171.4	-164.4	92.7	8.5	113.8	D624 G625 E626 P711 L715 G716	D624-R713 PolarHBondContact O-NH1 3.22Å; G625-R713 PolarHBondContact O-NH2 2.97Å; E626-R713 IonicContact OE1-CZ 3.72Å; E626-R713 IonicContact OE1-NH1 2.83Å; E626-R713 PolarHBondContact OE1-NH1 3.4Å; E626-R713 IonicContact OE1-NH2 3.81Å; E626-R713 PolarHBondContact OE1-NH2 3.31Å; P711-R713 PolarHBondContact O-N 3.22Å; P711-R713 VanDerWaalsContact O-N 3.1Å; R713-L715 VanDerWaalsContact C-N 3.27Å; R713-L715 PolarHBondContact O-N 3.45Å; R713-G716 PolarHBondContact O-N 2.82Å
714	S	88.4	Confident	91.1	Very high	106 Å²	106	71.6 Å²	71.6	74%	0.741	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-67.4	-25.1	179.3	55	0	0	0	0	114.1	F712	F712-S714 PolarHBondContact O-N 3.44Å; F712-S714 VanDerWaalsContact O-N 3.12Å
715	L	91.1	Very high	91.9	Very high	60 Å²	60	68.5 Å²	68.5	31%	0.314	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-95.3	3.1	176.9	-60.6	177.2	0	0	0	112	F712 R713 P730 H792	F712-L715 HydrophobicContact CB-CB 4.32Å; F712-L715 HydrophobicContact CB-CD1 4.11Å; F712-L715 HydrophobicContact CB-CG 4.28Å; F712-L715 HydrophobicContact CD2-CD1 4.49Å; F712-L715 HydrophobicContact CG-CD1 4.48Å; F712-L715 PolarHBondContact O-N 2.84Å; R713-L715 VanDerWaalsContact C-N 3.27Å; R713-L715 PolarHBondContact O-N 3.45Å; L715-P730 HydrophobicContact CB-CG 3.94Å; L715-P730 WeakPolarHBondContact O-CD 3.44Å; L715-H792 WeakPolarHBondContact CD2-NE2 3.25Å
716	G	92.4	Very high	92.5	Very high	23 Å²	23	62 Å²	62	24%	0.237	31%	0.309	C	S	.	.			trans	-74.3	146.1	-175.9	0	0	0	0	0	112.9	F712 R713 L728	F712-G716 PolarHBondContact O-N 2.84Å; R713-G716 PolarHBondContact O-N 2.82Å; G716-L728 CarbonylContact C-O 3.54Å; G716-L728 WeakPolarHBondContact CA-O 3.35Å
717	F	94.6	Very high	92.9	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.2	178.2	59.2	-88.8	0	0	0	110.7	L728 L735 I785 V789 V793 W796	F717-L728 HydrophobicContact CD2-CB 4.37Å; F717-L728 HydrophobicContact CD2-CD1 4.09Å; F717-L728 HydrophobicContact CE2-CB 4.1Å; F717-L728 HydrophobicContact CE2-CD1 3.56Å; F717-L728 HydrophobicContact CE2-CG 4.48Å; F717-L728 HydrophobicContact CZ-CB 4.18Å; F717-L728 HydrophobicContact CZ-CD1 4.21Å; F717-L728 PolarHBondContact N-O 2.76Å; F717-L728 WeakPolarHBondContact O-CB 3.5Å; F717-L728 PolarHBondContact O-N 2.85Å; F717-L735 HydrophobicContact CE1-CD1 4.12Å; F717-L735 HydrophobicContact CZ-CD1 4.19Å; F717-L735 HydrophobicContact CZ-CD2 4.18Å; F717-I785 HydrophobicContact CD2-CG2 4.1Å; F717-I785 HydrophobicContact CE2-CD1 4.06Å; F717-V789 HydrophobicContact CB-CB 4.42Å; F717-V789 HydrophobicContact CB-CG1 4.41Å; F717-V789 HydrophobicContact CB-CG2 4.18Å; F717-V793 HydrophobicContact CD1-CG2 3.99Å; F717-V793 HydrophobicContact CD2-CG2 4.4Å; F717-V793 HydrophobicContact CE1-CG2 4.09Å; F717-V793 HydrophobicContact CE2-CG2 4.49Å; F717-V793 HydrophobicContact CG-CG2 4.16Å; F717-V793 HydrophobicContact CZ-CG2 4.33Å; F717-W796 HydrophobicContact CE1-CE3 4.37Å; F717-W796 HydrophobicContact CE1-CZ3 4.18Å; F717-W796 HydrophobicContact CZ-CZ3 4.37Å
718	Y	95.4	Very high	93.2	Very high	128 Å²	128	56.8 Å²	56.8	50%	0.502	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	140.9	178.3	-74.9	-86.1	0	0	0	111.2	V726 L727 P786	Y718-V726 WeakPolarHBondContact CA-O 3.45Å; Y718-L727 HydrophobicContact CD1-CB 4.43Å; Y718-L727 HydrophobicContact CD2-CD1 4.28Å; Y718-L727 HydrophobicContact CE1-CB 4.03Å; Y718-L727 HydrophobicContact CE2-CD1 4.05Å; Y718-P786 WeakPolarHBondContact O-CD 3.39Å
719	G	94.9	Very high	93.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	171.3	174.7	0	0	0	0	0	111.6	P721 S725 V726	G719-P721 VanDerWaalsContact O-CD 3.29Å; G719-P721 WeakPolarHBondContact O-CD 3.38Å; G719-S725 WeakPolarHBondContact O-CA 3.46Å; G719-V726 PolarHBondContact N-O 3.49Å; G719-V726 VanDerWaalsContact N-O 3.11Å; G719-V726 PolarHBondContact O-N 3.03Å
720	V	95.8	Very high	93.3	Very high	27 Å²	27	55 Å²	55	16%	0.164	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-115.5	89.2	-179.1	-176.5	0	0	0	0	109.1	T783 A784	V720-T783 WeakPolarHBondContact CB-O 3.46Å; V720-T783 WeakPolarHBondContact CB-OG1 3.32Å; V720-T783 PolarHBondContact N-O 3.31Å; V720-T783 PolarHBondContact O-N 3.42Å; V720-T783 PolarHBondContact O-OG1 3.18Å; V720-T783 VanDerWaalsContact O-OG1 3.12Å; V720-A784 HydrophobicContact CG2-CB 4.11Å
721	P	94.1	Very high	93.2	Very high	11 Å²	11	52.6 Å²	52.6	7%	0.071	26%	0.262	C	S	.	.	S	Bend	trans	-77.3	-26.8	176.2	30.4	-34.8	0	0	0	112.9	G719 V726 L728 L744 F780 I782	G719-P721 VanDerWaalsContact O-CD 3.29Å; G719-P721 WeakPolarHBondContact O-CD 3.38Å; P721-V726 HydrophobicContact CG-CG2 3.64Å; P721-L728 HydrophobicContact CG-CD2 4.41Å; P721-L744 HydrophobicContact CB-CD1 4.48Å; P721-L744 HydrophobicContact CB-CD2 3.9Å; P721-L744 HydrophobicContact CG-CD2 4.38Å; P721-F780 HydrophobicContact CB-CE1 3.84Å; P721-F780 HydrophobicContact CB-CZ 3.92Å; P721-F780 WeakPolarHBondContact O-CZ 3.46Å; P721-I782 HydrophobicContact CB-CG1 4.34Å
722	Y	92.7	Very high	93	Very high	107 Å²	107	56 Å²	56	42%	0.42	29%	0.286	S	S	.	.	S	Bend	trans	-125.9	-102.8	179	-58.8	-66.2	0	0	0	110.6	P742 P743 L744 F780	Y722-P742 HydrophobicContact CD1-CG 4.38Å; Y722-P742 HydrophobicContact CD2-CG 3.83Å; Y722-P742 HydrophobicContact CE1-CG 4.29Å; Y722-P742 HydrophobicContact CE2-CB 4.26Å; Y722-P742 HydrophobicContact CE2-CG 3.73Å; Y722-P742 WeakPolarHBondContact CE2-O 3.44Å; Y722-P742 HydrophobicContact CG-CG 4.16Å; Y722-P743 PolarHBondContact OH-O 3.15Å; Y722-L744 HydrophobicContact CE2-CB 4.49Å; Y722-F780 AromaticContact CE1-CE2 3.99Å; Y722-F780 HydrophobicContact CE1-CE2 3.99Å; Y722-F780 AromaticContact CE1-CZ 4Å; Y722-F780 HydrophobicContact CE1-CZ 4Å
723	R	89.7	Confident	92.9	Very high	247 Å²	247	53 Å²	53	93%	0.932	28%	0.277	S	S	*	.	S	Bend	trans	-114.9	-14.1	-176.4	-64.8	-174.9	-179.3	177	0.6	114.5
724	S	92.2	Very high	93.2	Very high	66 Å²	66	48.4 Å²	48.4	46%	0.462	26%	0.259	S	S	.	.	S	Bend	trans	-127.7	154.1	-175.9	52.3	0	0	0	0	111.1
725	S	93.9	Very high	93.5	Very high	75 Å²	75	43.4 Å²	43.4	52%	0.524	22%	0.224	S	C	.	.			trans	-73.5	125.1	170.2	-175	0	0	0	0	109.2	G719	G719-S725 WeakPolarHBondContact O-CA 3.46Å
726	V	94.7	Very high	93.7	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.3	-178.1	-54.1	0	0	0	0	109.8	Y718 G719 P721 L728 N737 D740	Y718-V726 WeakPolarHBondContact CA-O 3.45Å; G719-V726 PolarHBondContact N-O 3.49Å; G719-V726 VanDerWaalsContact N-O 3.11Å; G719-V726 PolarHBondContact O-N 3.03Å; P721-V726 HydrophobicContact CG-CG2 3.64Å; V726-L728 HydrophobicContact CG2-CD2 4.29Å; V726-L728 HydrophobicContact CG2-CG 4.39Å; V726-L728 PolarHBondContact O-N 3.18Å; V726-N737 HydrophobicContact CG2-CB 4.06Å; V726-D740 HydrophobicContact CG1-CB 4.11Å; V726-D740 WeakPolarHBondContact CG1-OD2 3.13Å
727	L	95.2	Very high	93.9	Very high	22 Å²	22	39.7 Å²	39.7	12%	0.115	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	112.8	174.4	-178	64.3	0	0	0	109.5	Y718 Q729 N737	Y718-L727 HydrophobicContact CD1-CB 4.43Å; Y718-L727 HydrophobicContact CD2-CD1 4.28Å; Y718-L727 HydrophobicContact CE1-CB 4.03Å; Y718-L727 HydrophobicContact CE2-CD1 4.05Å; L727-Q729 HydrophobicContact CD2-CG 4.27Å; L727-Q729 HydrophobicContact CG-CG 3.98Å; L727-N737 PolarHBondContact O-ND2 2.79Å
728	L	95.7	Very high	93.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.1	175.2	-62.5	160.3	0	0	0	108.5	G716 F717 P721 V726 L735 N737 L744 I782	G716-L728 CarbonylContact C-O 3.54Å; G716-L728 WeakPolarHBondContact CA-O 3.35Å; F717-L728 HydrophobicContact CD2-CB 4.37Å; F717-L728 HydrophobicContact CD2-CD1 4.09Å; F717-L728 HydrophobicContact CE2-CB 4.1Å; F717-L728 HydrophobicContact CE2-CD1 3.56Å; F717-L728 HydrophobicContact CE2-CG 4.48Å; F717-L728 HydrophobicContact CZ-CB 4.18Å; F717-L728 HydrophobicContact CZ-CD1 4.21Å; F717-L728 PolarHBondContact N-O 2.76Å; F717-L728 WeakPolarHBondContact O-CB 3.5Å; F717-L728 PolarHBondContact O-N 2.85Å; P721-L728 HydrophobicContact CG-CD2 4.41Å; V726-L728 HydrophobicContact CG2-CD2 4.29Å; V726-L728 HydrophobicContact CG2-CG 4.39Å; V726-L728 PolarHBondContact O-N 3.18Å; L728-L735 HydrophobicContact CB-CD1 4.18Å; L728-N737 HydrophobicContact CD2-CB 4.08Å; L728-L744 HydrophobicContact CD2-CD2 3.38Å; L728-I782 HydrophobicContact CD1-CD1 3.75Å; L728-I782 HydrophobicContact CD1-CG2 3.59Å; L728-I782 HydrophobicContact CD2-CD1 4.22Å
729	Q	94.1	Very high	93.7	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.033	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.3	-174.8	-63.3	-179.2	-38.5	0	0	109.9	P711 L727 V736	P711-Q729 HydrophobicContact CB-CB 3.7Å; L727-Q729 HydrophobicContact CD2-CG 4.27Å; L727-Q729 HydrophobicContact CG-CG 3.98Å; Q729-V736 PolarHBondContact N-O 3.43Å; Q729-V736 WeakPolarHBondContact O-CG2 3.48Å; Q729-V736 PolarHBondContact O-N 2.97Å
730	P	94.7	Very high	93.6	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.013	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	147.6	168.4	-22.7	34.8	0	0	0	111.3	F712 L715 L735 W796	F712-P730 WeakPolarHBondContact CD2-O 3.43Å; F712-P730 PolarHBondContact N-O 3.14Å; L715-P730 HydrophobicContact CB-CG 3.94Å; L715-P730 WeakPolarHBondContact O-CD 3.44Å; P730-L735 HydrophobicContact CG-CD1 4.16Å; P730-W796 HydrophobicContact CB-CZ2 4.05Å; P730-W796 HydrophobicContact CG-CD2 4.09Å; P730-W796 HydrophobicContact CG-CG 4.43Å; P730-W796 HydrophobicContact CG-CZ2 4.05Å
731	T	93	Very high	93.4	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.037	21%	0.209	C	C	.	.			trans	-120.7	-171.3	169.1	60.3	0	0	0	0	107.8	F619 D709 P711 C733 C734 V736	F619-T731 HydrophobicContact CD1-CG2 3.96Å; F619-T731 HydrophobicContact CE1-CG2 3.88Å; D709-T731 VanDerWaalsContact OD2-CB 3.24Å; D709-T731 WeakPolarHBondContact OD2-CB 3.36Å; P711-T731 HydrophobicContact CB-CG2 4.02Å; P711-T731 HydrophobicContact CG-CG2 3.93Å; T731-C733 VanDerWaalsContact C-N 3.26Å; T731-C733 PolarHBondContact O-N 2.88Å; T731-C734 PolarHBondContact N-O 3.29Å; T731-C734 VanDerWaalsContact OG1-C 3.31Å; T731-C734 VanDerWaalsContact OG1-CA 3.28Å; T731-C734 WeakPolarHBondContact OG1-CA 3.41Å; T731-C734 VanDerWaalsContact OG1-CB 3.3Å; T731-C734 WeakPolarHBondContact OG1-CB 3.4Å; T731-C734 PolarHBondContact OG1-N 2.94Å; T731-C734 PolarHBondContact OG1-O 2.86Å; T731-V736 HydrophobicContact CG2-CG1 4.29Å; T731-V736 HydrophobicContact CG2-CG2 3.68Å
732	S	89.3	Confident	93.4	Very high	86 Å²	86	43.7 Å²	43.7	60%	0.601	23%	0.226	S	C	*	.	S	Bend	trans	-63.8	-32.7	178.7	71.1	0	0	0	0	112.9	D709	D709-S732 WeakPolarHBondContact OD2-CA 3.29Å; D709-S732 VanDerWaalsContact OD2-CB 3.28Å; D709-S732 WeakPolarHBondContact OD2-CB 3.43Å; D709-S732 PolarHBondContact OD2-N 2.6Å; D709-S732 PolarHBondContact OD2-OG 2.95Å
733	C	90.1	Very high	93.5	Very high	33 Å²	33	39 Å²	39	22%	0.223	21%	0.208	C	C	.	.	S	Bend	trans	-133.5	-5.5	-174	65	0	0	0	0	114.9	T731 L748	T731-C733 VanDerWaalsContact C-N 3.26Å; T731-C733 PolarHBondContact O-N 2.88Å; C733-L748 VanDerWaalsContact O-CB 3.29Å; C733-L748 WeakPolarHBondContact O-CB 3.43Å; C733-L748 WeakPolarHBondContact O-CG 3.32Å; C733-L748 PolarHBondContact O-N 2.75Å
734	C	94.1	Very high	93.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.9	-176.4	-62.9	0	0	0	0	113.2	H617 F619 T731 V736 I746	H617-C734 PolarHBondContact CD2-SG 2.74Å; H617-C734 VanDerWaalsContact CE1-SG 3.59Å; H617-C734 PolarHBondContact NE2-SG 3.4Å; F619-C734 HydrophobicContact CE1-CB 4.12Å; F619-C734 HydrophobicContact CZ-CB 3.82Å; T731-C734 PolarHBondContact N-O 3.29Å; T731-C734 VanDerWaalsContact OG1-C 3.31Å; T731-C734 VanDerWaalsContact OG1-CA 3.28Å; T731-C734 WeakPolarHBondContact OG1-CA 3.41Å; T731-C734 VanDerWaalsContact OG1-CB 3.3Å; T731-C734 WeakPolarHBondContact OG1-CB 3.4Å; T731-C734 PolarHBondContact OG1-N 2.94Å; T731-C734 PolarHBondContact OG1-O 2.86Å; C734-V736 HydrophobicContact CB-CG1 3.72Å; C734-I746 CarbonylContact C-O 3.52Å; C734-I746 WeakPolarHBondContact CA-O 3.37Å; C734-I746 WeakPolarHBondContact CB-O 3.22Å
735	L	95.6	Very high	93.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.4	158.6	-179.7	67.3	0	0	0	108.4	F717 L728 P730 I746 L748 F770 I782 W796	F717-L735 HydrophobicContact CE1-CD1 4.12Å; F717-L735 HydrophobicContact CZ-CD1 4.19Å; F717-L735 HydrophobicContact CZ-CD2 4.18Å; L728-L735 HydrophobicContact CB-CD1 4.18Å; P730-L735 HydrophobicContact CG-CD1 4.16Å; L735-I746 HydrophobicContact CB-CB 4.38Å; L735-I746 PolarHBondContact N-O 2.88Å; L735-I746 PolarHBondContact O-N 2.89Å; L735-L748 HydrophobicContact CB-CD2 4.45Å; L735-F770 HydrophobicContact CD2-CE2 4.1Å; L735-F770 HydrophobicContact CD2-CZ 3.59Å; L735-I782 HydrophobicContact CD2-CD1 3.96Å; L735-W796 HydrophobicContact CB-CH2 3.96Å; L735-W796 HydrophobicContact CB-CZ2 4.3Å; L735-W796 HydrophobicContact CD1-CH2 3.81Å; L735-W796 HydrophobicContact CD1-CZ2 4.24Å; L735-W796 HydrophobicContact CD1-CZ3 4.42Å; L735-W796 HydrophobicContact CD2-CH2 3.96Å; L735-W796 HydrophobicContact CD2-CZ3 4.43Å; L735-W796 HydrophobicContact CG-CH2 4.12Å
736	V	96.3	Very high	94	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.7	-172.1	-55.6	0	0	0	0	114	F619 P711 Q729 T731 C734 L738 L744 V745	F619-V736 HydrophobicContact CD1-CG1 4.45Å; F619-V736 HydrophobicContact CE1-CG1 3.88Å; F619-V736 HydrophobicContact CE2-CG1 3.94Å; F619-V736 HydrophobicContact CZ-CG1 3.59Å; P711-V736 HydrophobicContact CB-CG2 4.28Å; P711-V736 HydrophobicContact CG-CG2 3.94Å; Q729-V736 PolarHBondContact N-O 3.43Å; Q729-V736 WeakPolarHBondContact O-CG2 3.48Å; Q729-V736 PolarHBondContact O-N 2.97Å; T731-V736 HydrophobicContact CG2-CG1 4.29Å; T731-V736 HydrophobicContact CG2-CG2 3.68Å; C734-V736 HydrophobicContact CB-CG1 3.72Å; V736-L738 HydrophobicContact CB-CD2 4.11Å; V736-L738 HydrophobicContact CB-CG 4.09Å; V736-L738 HydrophobicContact CG2-CD1 4.25Å; V736-L738 HydrophobicContact CG2-CG 4.15Å; V736-L744 CarbonylContact C-O 3.45Å; V736-L744 WeakPolarHBondContact CA-O 3.29Å; V736-V745 HydrophobicContact CG1-CG1 4.31Å; V736-V745 HydrophobicContact CG1-CG2 4.41Å
737	N	95.8	Very high	94	Very high	6 Å²	6	22.1 Å²	22.1	3%	0.032	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	113.8	156.6	172.5	-97.1	0	0	0	107.6	V726 L727 L728 P743 L744	V726-N737 HydrophobicContact CG2-CB 4.06Å; L727-N737 PolarHBondContact O-ND2 2.79Å; L728-N737 HydrophobicContact CD2-CB 4.08Å; N737-P743 CarbonylContact O-C 3.55Å; N737-P743 WeakPolarHBondContact O-CA 3.46Å; N737-L744 HydrophobicContact CB-CB 4.13Å; N737-L744 PolarHBondContact N-O 3.09Å; N737-L744 PolarHBondContact O-N 3.28Å
738	L	94.8	Very high	93.9	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	12%	0.124	C	C	.	.			trans	-114.6	-12.6	-174.9	-47	171.8	0	0	0	112.5	F619 L630 H632 Q650 V736 P743 V745	F619-L738 HydrophobicContact CB-CD1 3.46Å; F619-L738 VanDerWaalsContact CB-CD1 3.46Å; F619-L738 HydrophobicContact CD2-CD1 3.96Å; F619-L738 HydrophobicContact CD2-CD2 4.29Å; F619-L738 HydrophobicContact CG-CD1 3.81Å; L630-L738 HydrophobicContact CD1-CB 3.84Å; L630-L738 HydrophobicContact CD1-CD1 3.97Å; L630-L738 HydrophobicContact CD2-CB 4.15Å; H632-L738 HydrophobicContact CB-CD1 3.92Å; H632-L738 HydrophobicContact CB-CD2 4.1Å; H632-L738 HydrophobicContact CB-CG 4.46Å; Q650-L738 PolarHBondContact NE2-O 2.95Å; V736-L738 HydrophobicContact CB-CD2 4.11Å; V736-L738 HydrophobicContact CB-CG 4.09Å; V736-L738 HydrophobicContact CG2-CD1 4.25Å; V736-L738 HydrophobicContact CG2-CG 4.15Å; L738-P743 HydrophobicContact CD2-CB 4.47Å; L738-V745 HydrophobicContact CD2-CG2 3.97Å
739	S	91.9	Very high	93.7	Very high	18 Å²	18	27.4 Å²	27.4	13%	0.126	16%	0.155	C	C	.	.	S	Bend	trans	-66.2	-44	178.7	-61.8	0	0	0	0	111.6	R579 Q621 E626	R579-S739 PolarHBondContact NH1-O 3.5Å; Q621-S739 PolarHBondContact NE2-OG 2.76Å; E626-S739 WeakPolarHBondContact OE2-CB 3.48Å; E626-S739 PolarHBondContact OE2-OG 2.78Å
740	D	92.1	Very high	93.7	Very high	72 Å²	72	30.6 Å²	30.6	39%	0.385	17%	0.17	S	C	.	.	S	Bend	trans	-95.9	164.2	-177.1	-67	-56.7	0	0	0	112.5	V726	V726-D740 HydrophobicContact CG1-CB 4.11Å; V726-D740 WeakPolarHBondContact CG1-OD2 3.13Å
741	W	91.4	Very high	93.6	Very high	98 Å²	98	30.8 Å²	30.8	37%	0.371	17%	0.171	S	C	.	.	S	Bend	trans	-127.6	131.7	178.2	-164.4	-92.2	0	0	0	111.1	R579 P580 D648 Q650 P743	R579-W741 HydrophobicContact CB-CE3 4.33Å; R579-W741 HydrophobicContact CB-CZ3 4.34Å; R579-W741 HydrophobicContact CG-CD2 3.59Å; R579-W741 HydrophobicContact CG-CE3 3.5Å; R579-W741 VanDerWaalsContact CG-CE3 3.5Å; R579-W741 HydrophobicContact CG-CG 4.13Å; R579-W741 HydrophobicContact CG-CH2 4.41Å; R579-W741 HydrophobicContact CG-CZ2 4.48Å; R579-W741 HydrophobicContact CG-CZ3 3.89Å; P580-W741 HydrophobicContact CB-CZ2 3.94Å; P580-W741 HydrophobicContact CG-CH2 4.23Å; P580-W741 HydrophobicContact CG-CZ2 3.73Å; D648-W741 HydrophobicContact CB-CH2 4.11Å; Q650-W741 HydrophobicContact CB-CZ3 4.36Å; W741-P743 HydrophobicContact CE3-CB 4.33Å; W741-P743 VanDerWaalsContact CE3-CD 3.47Å; W741-P743 HydrophobicContact CE3-CG 3.91Å; W741-P743 HydrophobicContact CH2-CG 3.77Å; W741-P743 HydrophobicContact CZ2-CG 4.48Å; W741-P743 HydrophobicContact CZ3-CB 4.21Å; W741-P743 VanDerWaalsContact CZ3-CD 3.49Å; W741-P743 HydrophobicContact CZ3-CG 3.5Å; W741-P743 VanDerWaalsContact CZ3-CG 3.5Å
742	P	93.4	Very high	93.5	Very high	64 Å²	64	30.8 Å²	30.8	42%	0.416	17%	0.17	S	C	.	.	S	Bend	cis	-68.1	148.2	3.4	28	-34	0	0	0	113.2	Y722	Y722-P742 HydrophobicContact CD1-CG 4.38Å; Y722-P742 HydrophobicContact CD2-CG 3.83Å; Y722-P742 HydrophobicContact CE1-CG 4.29Å; Y722-P742 HydrophobicContact CE2-CB 4.26Å; Y722-P742 HydrophobicContact CE2-CG 3.73Å; Y722-P742 WeakPolarHBondContact CE2-O 3.44Å; Y722-P742 HydrophobicContact CG-CG 4.16Å
743	P	94.9	Very high	93.6	Very high	9 Å²	9	27 Å²	27	6%	0.058	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-76.5	149.5	-178.6	35	-31.9	0	0	0	109.2	D648 Y722 N737 L738 W741	D648-P743 HydrophobicContact CB-CG 3.77Å; Y722-P743 PolarHBondContact OH-O 3.15Å; N737-P743 CarbonylContact O-C 3.55Å; N737-P743 WeakPolarHBondContact O-CA 3.46Å; L738-P743 HydrophobicContact CD2-CB 4.47Å; W741-P743 HydrophobicContact CE3-CB 4.33Å; W741-P743 VanDerWaalsContact CE3-CD 3.47Å; W741-P743 HydrophobicContact CE3-CG 3.91Å; W741-P743 HydrophobicContact CH2-CG 3.77Å; W741-P743 HydrophobicContact CZ2-CG 4.48Å; W741-P743 HydrophobicContact CZ3-CB 4.21Å; W741-P743 VanDerWaalsContact CZ3-CD 3.49Å; W741-P743 HydrophobicContact CZ3-CG 3.5Å; W741-P743 VanDerWaalsContact CZ3-CG 3.5Å
744	L	95.7	Very high	93.9	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.3	169.9	-175.5	69.7	0	0	0	109.3	P721 Y722 L728 V736 N737 I746 F780 I782	P721-L744 HydrophobicContact CB-CD1 4.48Å; P721-L744 HydrophobicContact CB-CD2 3.9Å; P721-L744 HydrophobicContact CG-CD2 4.38Å; Y722-L744 HydrophobicContact CE2-CB 4.49Å; L728-L744 HydrophobicContact CD2-CD2 3.38Å; V736-L744 CarbonylContact C-O 3.45Å; V736-L744 WeakPolarHBondContact CA-O 3.29Å; N737-L744 HydrophobicContact CB-CB 4.13Å; N737-L744 PolarHBondContact N-O 3.09Å; N737-L744 PolarHBondContact O-N 3.28Å; L744-I746 HydrophobicContact CD1-CD1 4.13Å; L744-I746 HydrophobicContact CD1-CG1 3.97Å; L744-I746 HydrophobicContact CD2-CD1 4.16Å; L744-I746 HydrophobicContact CD2-CG1 4.46Å; L744-I746 HydrophobicContact CG-CD1 4.33Å; L744-I746 HydrophobicContact CG-CG1 4.14Å; L744-F780 HydrophobicContact CD1-CD1 4.15Å; L744-F780 HydrophobicContact CD1-CE1 3.39Å; L744-F780 HydrophobicContact CD1-CE2 4.12Å; L744-F780 HydrophobicContact CD1-CZ 3.38Å; L744-F780 HydrophobicContact CD2-CE1 4.25Å; L744-F780 HydrophobicContact CG-CE1 4.47Å; L744-I782 HydrophobicContact CD2-CD1 4.01Å
745	V	96	Very high	93.9	Very high	24 Å²	24	25.7 Å²	25.7	15%	0.145	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	104.7	170.8	-176.8	0	0	0	0	108.2	F619 H634 V736 L738	F619-V745 HydrophobicContact CE2-CG1 3.86Å; F619-V745 HydrophobicContact CE2-CG2 4.18Å; F619-V745 HydrophobicContact CZ-CG1 4.07Å; H634-V745 HydrophobicContact CB-CG1 4.14Å; H634-V745 HydrophobicContact CB-CG2 4.47Å; V736-V745 HydrophobicContact CG1-CG1 4.31Å; V736-V745 HydrophobicContact CG1-CG2 4.41Å; L738-V745 HydrophobicContact CD2-CG2 3.97Å
746	I	95.3	Very high	93.9	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.031	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.3	174.2	-61	177.3	0	0	0	107.6	C734 L735 L744 L748 V751 F770 F772 F780	C734-I746 CarbonylContact C-O 3.52Å; C734-I746 WeakPolarHBondContact CA-O 3.37Å; C734-I746 WeakPolarHBondContact CB-O 3.22Å; L735-I746 HydrophobicContact CB-CB 4.38Å; L735-I746 PolarHBondContact N-O 2.88Å; L735-I746 PolarHBondContact O-N 2.89Å; L744-I746 HydrophobicContact CD1-CD1 4.13Å; L744-I746 HydrophobicContact CD1-CG1 3.97Å; L744-I746 HydrophobicContact CD2-CD1 4.16Å; L744-I746 HydrophobicContact CD2-CG1 4.46Å; L744-I746 HydrophobicContact CG-CD1 4.33Å; L744-I746 HydrophobicContact CG-CG1 4.14Å; I746-L748 PolarHBondContact O-N 3.16Å; I746-V751 HydrophobicContact CG2-CG2 3.82Å; I746-F770 HydrophobicContact CD1-CD1 4.45Å; I746-F770 HydrophobicContact CD1-CD2 3.68Å; I746-F770 HydrophobicContact CD1-CE2 3.76Å; I746-F770 HydrophobicContact CD1-CG 4.04Å; I746-F770 HydrophobicContact CD1-CZ 4.17Å; I746-F770 HydrophobicContact CG2-CD1 4.12Å; I746-F770 HydrophobicContact CG2-CE1 4.34Å; I746-F770 HydrophobicContact CG2-CG 4.47Å; I746-F772 HydrophobicContact CG2-CE1 4.2Å; I746-F780 HydrophobicContact CD1-CD1 3.88Å; I746-F780 HydrophobicContact CD1-CE1 4.39Å
747	T	95.3	Very high	93.8	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.043	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	118.1	175	-54.4	0	0	0	0	109	K616 H617 D749 E750	K616-T747 VanDerWaalsContact CE-OG1 3.31Å; K616-T747 WeakPolarHBondContact CE-OG1 3.46Å; K616-T747 PolarHBondContact NZ-OG1 3.27Å; H617-T747 WeakPolarHBondContact NE2-CG2 3.28Å; H617-T747 PolarHBondContact NE2-OG1 2.95Å; T747-D749 VanDerWaalsContact C-N 3.26Å; T747-D749 HydrophobicContact CG2-CB 4.24Å; T747-D749 PolarHBondContact O-N 3.14Å; T747-E750 WeakPolarHBondContact CB-OE2 3.21Å; T747-E750 HydrophobicContact CG2-CG 4.11Å; T747-E750 PolarHBondContact O-N 3.13Å
748	L	92.9	Very high	93.6	Very high	14 Å²	14	30 Å²	30	7%	0.073	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-62.6	-34.8	-174.9	-63.1	178.4	0	0	0	111.9	C733 L735 I746 E750 V751 W796 I802	C733-L748 VanDerWaalsContact O-CB 3.29Å; C733-L748 WeakPolarHBondContact O-CB 3.43Å; C733-L748 WeakPolarHBondContact O-CG 3.32Å; C733-L748 PolarHBondContact O-N 2.75Å; L735-L748 HydrophobicContact CB-CD2 4.45Å; I746-L748 PolarHBondContact O-N 3.16Å; L748-E750 PolarHBondContact O-N 3.39Å; L748-V751 WeakPolarHBondContact O-CB 2.72Å; L748-V751 PolarHBondContact O-N 3.12Å; L748-V751 VanDerWaalsContact O-N 3.11Å; L748-W796 HydrophobicContact CD1-CZ2 4.16Å; L748-W796 HydrophobicContact CD2-CH2 4.17Å; L748-W796 HydrophobicContact CD2-CZ2 3.87Å; L748-I802 HydrophobicContact CB-CD1 4.11Å; L748-I802 HydrophobicContact CD2-CD1 3.87Å; L748-I802 HydrophobicContact CG-CD1 4.43Å
749	D	91.8	Very high	93.4	Very high	119 Å²	119	31.7 Å²	31.7	64%	0.636	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-64.4	-19.3	176.3	-71.1	-13.6	0	0	0	114	T747 K773	T747-D749 VanDerWaalsContact C-N 3.26Å; T747-D749 HydrophobicContact CG2-CB 4.24Å; T747-D749 PolarHBondContact O-N 3.14Å; D749-K773 WeakPolarHBondContact O-CD 3.24Å; D749-K773 WeakPolarHBondContact O-CE 3.34Å; D749-K773 PolarHBondContact O-NZ 3.2Å
750	E	92.5	Very high	93.1	Very high	74 Å²	74	34.5 Å²	34.5	35%	0.346	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-94.3	-5	179.1	-65.4	177.9	161	0	0	112.5	K616 T747 L748 F772 K773	K616-E750 WeakPolarHBondContact CE-OE1 3.48Å; K616-E750 IonicContact NZ-OE1 3Å; K616-E750 PolarHBondContact NZ-OE1 3.45Å; K616-E750 IonicContact NZ-OE2 2.65Å; K616-E750 PolarHBondContact NZ-OE2 2.77Å; T747-E750 WeakPolarHBondContact CB-OE2 3.21Å; T747-E750 HydrophobicContact CG2-CG 4.11Å; T747-E750 PolarHBondContact O-N 3.13Å; L748-E750 PolarHBondContact O-N 3.39Å; E750-F772 HydrophobicContact CB-CD1 4.45Å; E750-F772 CarbonylContact O-C 3.53Å; E750-F772 VanDerWaalsContact O-CA 3.3Å; E750-F772 WeakPolarHBondContact O-CA 3.29Å; E750-K773 WeakPolarHBondContact O-CG 3.4Å; E750-K773 PolarHBondContact O-N 3.23Å
751	V	93.3	Very high	92.6	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.1	176.2	-178.1	0	0	0	0	108.9	I746 L748 V754 F770 K773 I802	I746-V751 HydrophobicContact CG2-CG2 3.82Å; L748-V751 WeakPolarHBondContact O-CB 2.72Å; L748-V751 PolarHBondContact O-N 3.12Å; L748-V751 VanDerWaalsContact O-N 3.11Å; V751-V754 HydrophobicContact CG1-CG2 4.12Å; V751-F770 HydrophobicContact CG1-CD1 4.02Å; V751-F770 HydrophobicContact CG2-CD1 3.84Å; V751-K773 VanDerWaalsContact O-CE 3.28Å; V751-K773 WeakPolarHBondContact O-CE 3.38Å; V751-I802 HydrophobicContact CG1-CG2 4.06Å
752	E	90.7	Very high	92.4	Very high	5 Å²	5	43.5 Å²	43.5	2%	0.023	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-56.5	172	-170.4	72.9	-155.4	0	0	109	L419 R426 I771 K773 Y775 P803	L419-E752 HydrophobicContact CD1-CG 4.04Å; L419-E752 WeakPolarHBondContact CD1-O 3.18Å; L419-E752 HydrophobicContact CD2-CG 4.19Å; L419-E752 WeakPolarHBondContact CD2-OE1 3.38Å; L419-E752 HydrophobicContact CG-CG 4.29Å; L419-E752 VanDerWaalsContact CG-OE1 3.23Å; L419-E752 WeakPolarHBondContact CG-OE1 3.24Å; R426-E752 IonicContact CZ-OE1 2.74Å; R426-E752 IonicContact CZ-OE2 2.7Å; R426-E752 IonicContact NH1-OE1 3.49Å; R426-E752 IonicContact NH1-OE2 3.94Å; R426-E752 PolarHBondContact NH1-OE2 3.37Å; R426-E752 IonicContact NH2-OE1 2.63Å; R426-E752 PolarHBondContact NH2-OE1 3Å; R426-E752 IonicContact NH2-OE2 2.64Å; R426-E752 PolarHBondContact NH2-OE2 3.25Å; E752-I771 HydrophobicContact CB-CG2 4.34Å; E752-I771 PolarHBondContact N-O 3.39Å; E752-K773 HydrophobicContact CB-CG 4.28Å; E752-K773 WeakPolarHBondContact OE2-CA 3.21Å; E752-K773 VanDerWaalsContact OE2-CG 3.27Å; E752-K773 WeakPolarHBondContact OE2-CG 3.43Å; E752-Y775 HydrophobicContact CG-CE1 4.27Å; E752-P803 WeakPolarHBondContact O-CG 3.29Å
753	L	92.4	Very high	92.2	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	165.8	176.5	74.6	94.6	0	0	0	111.5	L419 H755 I771 P803 W833 L836	L419-L753 HydrophobicContact CD1-CB 4.12Å; L753-H755 HydrophobicContact CD1-CB 4.5Å; L753-I771 HydrophobicContact CD1-CD1 3.28Å; L753-I771 HydrophobicContact CD2-CD1 4.26Å; L753-I771 HydrophobicContact CG-CB 4.33Å; L753-I771 HydrophobicContact CG-CD1 3.59Å; L753-I771 PolarHBondContact N-O 3.33Å; L753-I771 PolarHBondContact O-N 3.37Å; L753-P803 WeakPolarHBondContact CA-O 3.44Å; L753-P803 HydrophobicContact CB-CG 4.04Å; L753-P803 WeakPolarHBondContact CB-O 3.16Å; L753-W833 HydrophobicContact CD2-CB 3.73Å; L753-W833 HydrophobicContact CD2-CD2 3.24Å; L753-W833 HydrophobicContact CD2-CE3 3.69Å; L753-W833 HydrophobicContact CD2-CG 3.26Å; L753-W833 HydrophobicContact CD2-CZ2 4.33Å; L753-W833 HydrophobicContact CD2-CZ3 4.39Å; L753-L836 HydrophobicContact CD1-CD1 3.87Å; L753-L836 HydrophobicContact CD2-CD1 4.43Å
754	V	94.8	Very high	92.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.9	173.9	174	0	0	0	0	110.9	V751 F756 M768 V769 F770 L797 I802 P803 Y804 S805	V751-V754 HydrophobicContact CG1-CG2 4.12Å; V754-F756 HydrophobicContact CG1-CE1 4.26Å; V754-F756 HydrophobicContact CG1-CZ 4.29Å; V754-M768 HydrophobicContact CB-CE 4.3Å; V754-M768 HydrophobicContact CG1-CE 3.47Å; V754-M768 VanDerWaalsContact CG1-CE 3.47Å; V754-M768 HydrophobicContact CG1-CG 3.52Å; V754-M768 HydrophobicContact CG1-SD 4.36Å; V754-M768 HydrophobicContact CG2-CE 3.89Å; V754-V769 CarbonylContact C-O 3.57Å; V754-V769 WeakPolarHBondContact CA-O 3.21Å; V754-F770 HydrophobicContact CG2-CD1 3.77Å; V754-F770 HydrophobicContact CG2-CE1 3.85Å; V754-L797 HydrophobicContact CB-CD1 4Å; V754-L797 HydrophobicContact CG1-CD1 3.96Å; V754-L797 HydrophobicContact CG2-CD1 4.21Å; V754-L797 HydrophobicContact CG2-CD2 4.03Å; V754-I802 HydrophobicContact CG2-CG2 3.94Å; V754-P803 PolarHBondContact N-O 3.32Å; V754-Y804 CarbonylContact O-C 3.55Å; V754-Y804 WeakPolarHBondContact O-CA 3.31Å; V754-Y804 WeakPolarHBondContact O-CB 3.33Å; V754-S805 PolarHBondContact O-N 3.3Å
755	H	94.8	Very high	92	Very high	5 Å²	5	55 Å²	55	2%	0.023	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.7	171.8	-173.9	66.3	0	0	0	110.6	L753 E757 V769 S805 W813	L753-H755 HydrophobicContact CD1-CB 4.5Å; H755-E757 VanDerWaalsContact CD2-CG 3.49Å; H755-E757 WeakPolarHBondContact CD2-CG 3.45Å; H755-V769 PolarHBondContact N-O 2.83Å; H755-V769 PolarHBondContact O-N 3.44Å; H755-S805 PolarHBondContact ND1-OG 3.29Å; H755-W813 HydrophobicContact CB-CH2 3.94Å; H755-W813 HydrophobicContact CB-CZ2 3.77Å; H755-W813 AromaticContact CD2-CZ2 3.67Å; H755-W813 AromaticContact CG-CZ2 3.92Å
756	F	95.7	Very high	92	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116.7	172.9	-62.7	-67.1	0	0	0	110	V754 V759 F766 D767 M768 L790 V793 K794 L797 Y804 S805 E806 G807	V754-F756 HydrophobicContact CG1-CE1 4.26Å; V754-F756 HydrophobicContact CG1-CZ 4.29Å; F756-V759 HydrophobicContact CB-CG2 3.59Å; F756-F766 AromaticContact CD1-CD2 3.83Å; F756-F766 HydrophobicContact CD1-CD2 3.83Å; F756-F766 AromaticContact CD1-CE2 3.55Å; F756-F766 HydrophobicContact CD1-CE2 3.55Å; F756-F766 AromaticContact CE1-CE2 3.78Å; F756-F766 HydrophobicContact CE1-CE2 3.78Å; F756-D767 CarbonylContact C-O 3.39Å; F756-D767 VanDerWaalsContact CA-O 3.31Å; F756-D767 WeakPolarHBondContact CA-O 3.29Å; F756-M768 HydrophobicContact CD1-CB 4.1Å; F756-M768 HydrophobicContact CD1-CG 4.07Å; F756-M768 HydrophobicContact CE1-CB 4.21Å; F756-M768 HydrophobicContact CE1-CE 4.44Å; F756-M768 HydrophobicContact CE1-CG 3.82Å; F756-M768 HydrophobicContact CE1-SD 4.18Å; F756-L790 HydrophobicContact CD1-CD1 4.29Å; F756-L790 HydrophobicContact CE1-CD1 4.43Å; F756-L790 HydrophobicContact CG-CD1 4.36Å; F756-V793 HydrophobicContact CE1-CG1 3.91Å; F756-V793 HydrophobicContact CZ-CG1 3.87Å; F756-K794 HydrophobicContact CE2-CG 3.85Å; F756-K794 HydrophobicContact CZ-CG 4.24Å; F756-L797 HydrophobicContact CE1-CD1 4.47Å; F756-L797 HydrophobicContact CE2-CD1 3.94Å; F756-L797 HydrophobicContact CZ-CD1 3.5Å; F756-Y804 HydrophobicContact CD2-CD2 4.09Å; F756-Y804 HydrophobicContact CD2-CG 4.48Å; F756-Y804 AromaticContact CE2-CD2 3.73Å; F756-Y804 HydrophobicContact CE2-CD2 3.73Å; F756-Y804 AromaticContact CE2-CG 3.83Å; F756-Y804 HydrophobicContact CE2-CG 3.83Å; F756-S805 WeakPolarHBondContact CD2-O 3.35Å; F756-S805 PolarHBondContact N-O 2.98Å; F756-E806 HydrophobicContact CB-CB 4.29Å; F756-E806 CarbonylContact O-C 3.59Å; F756-E806 WeakPolarHBondContact O-CA 3.5Å; F756-G807 PolarHBondContact O-N 3.39Å
757	E	94.4	Very high	92	Very high	12 Å²	12	54.1 Å²	54.1	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	156.4	177	-60.1	-175.3	165.6	0	0	111.2	H755 V759 F766 D767 V769 G807 S810 L811 W813	H755-E757 VanDerWaalsContact CD2-CG 3.49Å; H755-E757 WeakPolarHBondContact CD2-CG 3.45Å; E757-V759 PolarHBondContact O-N 2.88Å; E757-F766 WeakPolarHBondContact O-CB 3.28Å; E757-D767 HydrophobicContact CB-CB 4.25Å; E757-D767 PolarHBondContact N-O 3.36Å; E757-D767 PolarHBondContact O-N 3.49Å; E757-V769 HydrophobicContact CG-CG2 4.15Å; E757-G807 CarbonylContact C-O 3.55Å; E757-S810 VanDerWaalsContact OE2-CA 3.31Å; E757-S810 WeakPolarHBondContact OE2-CA 3.42Å; E757-S810 WeakPolarHBondContact OE2-CB 3.44Å; E757-S810 PolarHBondContact OE2-OG 3.32Å; E757-L811 PolarHBondContact OE1-N 3.48Å; E757-W813 PolarHBondContact OE1-NE1 2.79Å
758	R	90.8	Very high	92	Very high	86 Å²	86	53.8 Å²	53.8	33%	0.325	25%	0.253	S	S	.	.			trans	60.1	28.8	175.9	-49	-170.5	-67.9	160.2	-4.2	113.3	Q760 L763 D767 G807	R758-Q760 PolarHBondContact O-N 3.12Å; R758-L763 HydrophobicContact CB-CD1 3.87Å; R758-L763 WeakPolarHBondContact O-CD1 3.38Å; R758-D767 IonicContact CZ-OD1 2.89Å; R758-D767 IonicContact CZ-OD2 3.35Å; R758-D767 VanDerWaalsContact NE-CG 3.34Å; R758-D767 IonicContact NE-OD1 3.23Å; R758-D767 IonicContact NE-OD2 2.75Å; R758-D767 PolarHBondContact NE-OD2 3.47Å; R758-D767 IonicContact NH2-OD1 2.76Å; R758-D767 PolarHBondContact NH2-OD1 3.34Å; R758-D767 IonicContact NH2-OD2 2.91Å; R758-D767 PolarHBondContact NH2-OD2 3.04Å; R758-G807 PolarHBondContact N-O 3.33Å
759	V	90.4	Very high	92.1	Very high	36 Å²	36	53.2 Å²	53.2	22%	0.218	25%	0.25	C	S	.	.			trans	-77	91.5	174.2	-175.9	0	0	0	0	108.3	F756 E757 F766 L790 E806 G807	F756-V759 HydrophobicContact CB-CG2 3.59Å; E757-V759 PolarHBondContact O-N 2.88Å; V759-F766 HydrophobicContact CG2-CB 4.08Å; V759-L790 HydrophobicContact CG1-CD2 3.78Å; V759-E806 HydrophobicContact CG2-CB 4.45Å; V759-G807 PolarHBondContact N-O 2.72Å; V759-G807 VanDerWaalsContact N-O 3.17Å
760	Q	87.5	Confident	92.3	Very high	77 Å²	77	47.5 Å²	47.5	36%	0.36	22%	0.22	S	C	.	.			trans	-136	145.9	179.1	-62.3	-179.3	24.4	0	0	110.8	R758 H762 L763 I808	R758-Q760 PolarHBondContact O-N 3.12Å; Q760-H762 PolarHBondContact O-N 3.07Å; Q760-H762 VanDerWaalsContact O-N 3.1Å; Q760-L763 HydrophobicContact CB-CD1 4.09Å; Q760-L763 HydrophobicContact CB-CG 4.17Å; Q760-L763 HydrophobicContact CG-CD1 4.28Å; Q760-L763 PolarHBondContact O-N 3.02Å; Q760-I808 HydrophobicContact CG-CB 4.33Å; Q760-I808 HydrophobicContact CG-CG1 4.26Å; Q760-I808 HydrophobicContact CG-CG2 3.85Å; Q760-I808 PolarHBondContact NE2-O 3.08Å; Q760-I808 VanDerWaalsContact NE2-O 3.15Å
761	F	81.6	Confident	92.4	Very high	196 Å²	196	44 Å²	44	86%	0.86	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.4	-177.6	-175.1	-102.3	0	0	0	114.3
762	H	87.1	Confident	92.4	Very high	162 Å²	162	44.2 Å²	44.2	75%	0.75	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-9.8	-177.7	-55.3	95.9	0	0	0	113.7	Q760	Q760-H762 PolarHBondContact O-N 3.07Å; Q760-H762 VanDerWaalsContact O-N 3.1Å
763	L	88.4	Confident	92.5	Very high	64 Å²	64	48.7 Å²	48.7	34%	0.335	22%	0.223	S	C	.	.			trans	-97.1	130	-177.8	-65.4	178.8	0	0	0	110.5	R758 Q760 N765 T787	R758-L763 HydrophobicContact CB-CD1 3.87Å; R758-L763 WeakPolarHBondContact O-CD1 3.38Å; Q760-L763 HydrophobicContact CB-CD1 4.09Å; Q760-L763 HydrophobicContact CB-CG 4.17Å; Q760-L763 HydrophobicContact CG-CD1 4.28Å; Q760-L763 PolarHBondContact O-N 3.02Å; L763-N765 VanDerWaalsContact C-N 3.29Å; L763-T787 PolarHBondContact O-OG1 2.59Å; L763-T787 VanDerWaalsContact O-OG1 3.06Å
764	K	92	Very high	92.3	Very high	183 Å²	183	52.5 Å²	52.5	80%	0.796	24%	0.244	S	C	*	.	S	Bend	trans	-77.3	-17.5	177.7	-66.2	-175	178.4	-178.7	0	113.4	T787	K764-T787 PolarHBondContact O-N 3.35Å; K764-T787 PolarHBondContact O-OG1 2.79Å
765	N	94.5	Very high	92	Very high	71 Å²	71	53.5 Å²	53.5	38%	0.38	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.2	-178.5	-50.9	-36.8	0	0	0	110	L763 I785 T787	L763-N765 VanDerWaalsContact C-N 3.29Å; N765-I785 CarbonylContact C-O 3.58Å; N765-I785 WeakPolarHBondContact CA-O 3.25Å; N765-T787 PolarHBondContact N-OG1 2.94Å
766	F	95.1	Very high	91.6	Very high	1 Å²	1	57.8 Å²	57.8	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	169.4	171.5	67.9	-86.9	0	0	0	110.3	F756 E757 V759 A784 I785 P786 L790	F756-F766 AromaticContact CD1-CD2 3.83Å; F756-F766 HydrophobicContact CD1-CD2 3.83Å; F756-F766 AromaticContact CD1-CE2 3.55Å; F756-F766 HydrophobicContact CD1-CE2 3.55Å; F756-F766 AromaticContact CE1-CE2 3.78Å; F756-F766 HydrophobicContact CE1-CE2 3.78Å; E757-F766 WeakPolarHBondContact O-CB 3.28Å; V759-F766 HydrophobicContact CG2-CB 4.08Å; F766-A784 PolarHBondContact O-N 3.22Å; F766-I785 HydrophobicContact CD1-CB 4.34Å; F766-I785 HydrophobicContact CD1-CG2 4.47Å; F766-I785 VanDerWaalsContact CD1-O 3.3Å; F766-I785 WeakPolarHBondContact CD1-O 3.3Å; F766-I785 HydrophobicContact CD2-CB 4.34Å; F766-I785 HydrophobicContact CE1-CB 3.97Å; F766-I785 HydrophobicContact CE1-CG2 3.64Å; F766-I785 HydrophobicContact CE2-CB 3.95Å; F766-I785 HydrophobicContact CE2-CD1 4Å; F766-I785 HydrophobicContact CE2-CG2 4Å; F766-I785 HydrophobicContact CZ-CB 3.76Å; F766-I785 HydrophobicContact CZ-CD1 4.4Å; F766-I785 HydrophobicContact CZ-CG2 3.36Å; F766-I785 PolarHBondContact N-O 3.35Å; F766-I785 PolarHBondContact O-N 2.84Å; F766-P786 VanDerWaalsContact CE1-O 3.3Å; F766-P786 WeakPolarHBondContact CE1-O 3.33Å; F766-L790 HydrophobicContact CD1-CB 4.35Å; F766-L790 HydrophobicContact CD1-CD1 4.17Å; F766-L790 HydrophobicContact CD2-CD1 4.09Å; F766-L790 HydrophobicContact CE1-CB 3.73Å; F766-L790 HydrophobicContact CE1-CD1 3.83Å; F766-L790 HydrophobicContact CE1-CG 4.35Å; F766-L790 HydrophobicContact CE2-CD1 3.77Å; F766-L790 HydrophobicContact CG-CD1 4.29Å; F766-L790 HydrophobicContact CZ-CB 4.14Å; F766-L790 HydrophobicContact CZ-CD1 3.62Å; F766-L790 HydrophobicContact CZ-CG 4.5Å
767	D	95.7	Very high	91.3	Very high	11 Å²	11	61.6 Å²	61.6	6%	0.059	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	154.4	173.5	-61.8	-19.2	0	0	0	110.9	F756 E757 R758 I782 T783 A784	F756-D767 CarbonylContact C-O 3.39Å; F756-D767 VanDerWaalsContact CA-O 3.31Å; F756-D767 WeakPolarHBondContact CA-O 3.29Å; E757-D767 HydrophobicContact CB-CB 4.25Å; E757-D767 PolarHBondContact N-O 3.36Å; E757-D767 PolarHBondContact O-N 3.49Å; R758-D767 IonicContact CZ-OD1 2.89Å; R758-D767 IonicContact CZ-OD2 3.35Å; R758-D767 VanDerWaalsContact NE-CG 3.34Å; R758-D767 IonicContact NE-OD1 3.23Å; R758-D767 IonicContact NE-OD2 2.75Å; R758-D767 PolarHBondContact NE-OD2 3.47Å; R758-D767 IonicContact NH2-OD1 2.76Å; R758-D767 PolarHBondContact NH2-OD1 3.34Å; R758-D767 IonicContact NH2-OD2 2.91Å; R758-D767 PolarHBondContact NH2-OD2 3.04Å; D767-I782 WeakPolarHBondContact CA-O 3.48Å; D767-T783 WeakPolarHBondContact OD1-CA 3.28Å; D767-T783 WeakPolarHBondContact OD1-CB 3.35Å; D767-A784 PolarHBondContact OD1-N 3.39Å
768	M	95.4	Very high	91.1	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.1	-179	-179	-172	-175.1	0	0	109.1	V754 F756 F770 S781 I782 I785 V793 W796 L797	V754-M768 HydrophobicContact CB-CE 4.3Å; V754-M768 HydrophobicContact CG1-CE 3.47Å; V754-M768 VanDerWaalsContact CG1-CE 3.47Å; V754-M768 HydrophobicContact CG1-CG 3.52Å; V754-M768 HydrophobicContact CG1-SD 4.36Å; V754-M768 HydrophobicContact CG2-CE 3.89Å; F756-M768 HydrophobicContact CD1-CB 4.1Å; F756-M768 HydrophobicContact CD1-CG 4.07Å; F756-M768 HydrophobicContact CE1-CB 4.21Å; F756-M768 HydrophobicContact CE1-CE 4.44Å; F756-M768 HydrophobicContact CE1-CG 3.82Å; F756-M768 HydrophobicContact CE1-SD 4.18Å; M768-F770 HydrophobicContact CE-CE1 3.62Å; M768-F770 HydrophobicContact CE-CE2 3.75Å; M768-F770 HydrophobicContact CE-CZ 3.14Å; M768-F770 HydrophobicContact CG-CE2 4.1Å; M768-F770 HydrophobicContact CG-CZ 4.44Å; M768-F770 HydrophobicContact SD-CE2 3.75Å; M768-F770 HydrophobicContact SD-CZ 3.7Å; M768-S781 CarbonylContact O-C 3.59Å; M768-S781 WeakPolarHBondContact O-CA 3.35Å; M768-I782 PolarHBondContact N-O 2.99Å; M768-I782 PolarHBondContact O-N 3.3Å; M768-I785 HydrophobicContact CB-CD1 3.58Å; M768-I785 HydrophobicContact SD-CD1 4.3Å; M768-V793 HydrophobicContact CE-CG1 4.22Å; M768-V793 HydrophobicContact SD-CG1 4.19Å; M768-W796 HydrophobicContact CE-CZ3 4.11Å; M768-L797 HydrophobicContact CE-CD1 4.04Å; M768-L797 HydrophobicContact CE-CD2 3.97Å; M768-L797 HydrophobicContact CE-CG 4.4Å
769	V	96	Very high	91.2	Very high	2 Å²	2	66.7 Å²	66.7	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.2	-178.9	-173.8	0	0	0	0	109.8	V754 H755 E757 P779 W813	V754-V769 CarbonylContact C-O 3.57Å; V754-V769 WeakPolarHBondContact CA-O 3.21Å; H755-V769 PolarHBondContact N-O 2.83Å; H755-V769 PolarHBondContact O-N 3.44Å; E757-V769 HydrophobicContact CG-CG2 4.15Å; V769-P779 HydrophobicContact CG1-CB 3.94Å; V769-W813 HydrophobicContact CB-CZ2 4.24Å; V769-W813 HydrophobicContact CG1-CD2 4.14Å; V769-W813 HydrophobicContact CG1-CG 4.34Å; V769-W813 HydrophobicContact CG1-CZ2 4.15Å
770	F	95.5	Very high	91.5	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.1	173.2	-68.2	-91.3	0	0	0	110	L735 I746 V751 V754 M768 F772 P779 F780 I782	L735-F770 HydrophobicContact CD2-CE2 4.1Å; L735-F770 HydrophobicContact CD2-CZ 3.59Å; I746-F770 HydrophobicContact CD1-CD1 4.45Å; I746-F770 HydrophobicContact CD1-CD2 3.68Å; I746-F770 HydrophobicContact CD1-CE2 3.76Å; I746-F770 HydrophobicContact CD1-CG 4.04Å; I746-F770 HydrophobicContact CD1-CZ 4.17Å; I746-F770 HydrophobicContact CG2-CD1 4.12Å; I746-F770 HydrophobicContact CG2-CE1 4.34Å; I746-F770 HydrophobicContact CG2-CG 4.47Å; V751-F770 HydrophobicContact CG1-CD1 4.02Å; V751-F770 HydrophobicContact CG2-CD1 3.84Å; V754-F770 HydrophobicContact CG2-CD1 3.77Å; V754-F770 HydrophobicContact CG2-CE1 3.85Å; M768-F770 HydrophobicContact CE-CE1 3.62Å; M768-F770 HydrophobicContact CE-CE2 3.75Å; M768-F770 HydrophobicContact CE-CZ 3.14Å; M768-F770 HydrophobicContact CG-CE2 4.1Å; M768-F770 HydrophobicContact CG-CZ 4.44Å; M768-F770 HydrophobicContact SD-CE2 3.75Å; M768-F770 HydrophobicContact SD-CZ 3.7Å; F770-F772 HydrophobicContact CB-CZ 4.36Å; F770-P779 CarbonylContact O-C 3.58Å; F770-P779 VanDerWaalsContact O-CA 3.28Å; F770-P779 WeakPolarHBondContact O-CA 3.12Å; F770-P779 WeakPolarHBondContact O-CB 3.49Å; F770-F780 HydrophobicContact CB-CB 4.49Å; F770-F780 PolarHBondContact N-O 2.79Å; F770-F780 PolarHBondContact O-N 3.43Å; F770-I782 HydrophobicContact CD2-CD1 4.44Å; F770-I782 HydrophobicContact CE2-CD1 3.65Å; F770-I782 HydrophobicContact CE2-CG1 4.1Å
771	I	94.1	Very high	91.8	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.4	170.8	-62.9	138.9	0	0	0	107.8	E752 L753 W813 W833	E752-I771 HydrophobicContact CB-CG2 4.34Å; E752-I771 PolarHBondContact N-O 3.39Å; L753-I771 HydrophobicContact CD1-CD1 3.28Å; L753-I771 HydrophobicContact CD2-CD1 4.26Å; L753-I771 HydrophobicContact CG-CB 4.33Å; L753-I771 HydrophobicContact CG-CD1 3.59Å; L753-I771 PolarHBondContact N-O 3.33Å; L753-I771 PolarHBondContact O-N 3.37Å; I771-W813 HydrophobicContact CD1-CE3 4.39Å; I771-W813 HydrophobicContact CD1-CH2 3.57Å; I771-W813 HydrophobicContact CD1-CZ2 4.44Å; I771-W813 HydrophobicContact CD1-CZ3 3.53Å; I771-W813 HydrophobicContact CG1-CE3 4.24Å; I771-W813 HydrophobicContact CG1-CH2 4.23Å; I771-W813 HydrophobicContact CG1-CZ3 3.84Å; I771-W833 HydrophobicContact CD1-CH2 4.23Å; I771-W833 HydrophobicContact CD1-CZ3 4.15Å; I771-W833 HydrophobicContact CG1-CH2 4.5Å; I771-W833 HydrophobicContact CG2-CH2 3.79Å; I771-W833 HydrophobicContact CG2-CZ2 3.8Å
772	F	94.4	Very high	92.5	Very high	11 Å²	11	57 Å²	57	5%	0.048	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	155.3	-176.5	-61	-79.4	0	0	0	112	I746 E750 F770 D774 Y775 Q777 F780	I746-F772 HydrophobicContact CG2-CE1 4.2Å; E750-F772 HydrophobicContact CB-CD1 4.45Å; E750-F772 CarbonylContact O-C 3.53Å; E750-F772 VanDerWaalsContact O-CA 3.3Å; E750-F772 WeakPolarHBondContact O-CA 3.29Å; F770-F772 HydrophobicContact CB-CZ 4.36Å; F772-D774 PolarHBondContact O-N 3.27Å; F772-Y775 WeakPolarHBondContact O-CD1 3.25Å; F772-Q777 HydrophobicContact CB-CB 4.28Å; F772-Q777 HydrophobicContact CB-CG 4.42Å; F772-Q777 HydrophobicContact CD2-CB 4.27Å; F772-Q777 HydrophobicContact CD2-CG 3.66Å; F772-Q777 HydrophobicContact CE2-CG 4.16Å; F772-Q777 VanDerWaalsContact CE2-NE2 3.31Å; F772-Q777 VanDerWaalsContact CG-CD 3.43Å; F772-Q777 HydrophobicContact CG-CG 4.12Å; F772-F780 HydrophobicContact CE2-CB 3.9Å; F772-F780 HydrophobicContact CZ-CB 4.01Å
773	K	91.1	Very high	92.9	Very high	98 Å²	98	51.4 Å²	51.4	43%	0.426	26%	0.257	S	S	.	.	S	Bend	trans	-59.7	-29.1	174.1	-65.7	-168.1	173.7	163	0	112.6	R426 D749 E750 V751 E752	R426-K773 VanDerWaalsContact NH1-CB 3.31Å; D749-K773 WeakPolarHBondContact O-CD 3.24Å; D749-K773 WeakPolarHBondContact O-CE 3.34Å; D749-K773 PolarHBondContact O-NZ 3.2Å; E750-K773 WeakPolarHBondContact O-CG 3.4Å; E750-K773 PolarHBondContact O-N 3.23Å; V751-K773 VanDerWaalsContact O-CE 3.28Å; V751-K773 WeakPolarHBondContact O-CE 3.38Å; E752-K773 HydrophobicContact CB-CG 4.28Å; E752-K773 WeakPolarHBondContact OE2-CA 3.21Å; E752-K773 VanDerWaalsContact OE2-CG 3.27Å; E752-K773 WeakPolarHBondContact OE2-CG 3.43Å
774	D	89	Confident	93.1	Very high	87 Å²	87	50 Å²	50	47%	0.465	26%	0.255	S	S	.	.	S	Bend	trans	-89.9	103.9	170.6	-175.4	-4.5	0	0	0	109.8	F772 T776 Q777	F772-D774 PolarHBondContact O-N 3.27Å; D774-T776 PolarHBondContact O-N 3.13Å; D774-T776 VanDerWaalsContact O-N 3.12Å; D774-T776 WeakPolarHBondContact OD1-CB 3.5Å; D774-T776 PolarHBondContact OD1-N 3.27Å; D774-T776 PolarHBondContact OD1-OG1 2.92Å; D774-T776 PolarHBondContact OD2-OG1 3.25Å; D774-Q777 HydrophobicContact CB-CB 4.44Å; D774-Q777 VanDerWaalsContact O-CB 3.28Å; D774-Q777 WeakPolarHBondContact O-CB 3.22Å; D774-Q777 PolarHBondContact O-N 2.9Å
775	Y	88.3	Confident	93.3	Very high	21 Å²	21	41.2 Å²	41.2	8%	0.082	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.1	-179.8	-59.6	-27.8	0	0	0	114.4	E752 F772 Q777 M817 I820 F828 W833	E752-Y775 HydrophobicContact CG-CE1 4.27Å; F772-Y775 WeakPolarHBondContact O-CD1 3.25Å; Y775-Q777 VanDerWaalsContact C-N 3.31Å; Y775-M817 HydrophobicContact CD1-CE 3.88Å; Y775-M817 HydrophobicContact CG-CE 4.1Å; Y775-M817 VanDerWaalsContact O-CE 3.28Å; Y775-M817 WeakPolarHBondContact O-CE 3.47Å; Y775-I820 HydrophobicContact CD2-CG2 3.57Å; Y775-I820 HydrophobicContact CE2-CG2 3.92Å; Y775-I820 HydrophobicContact CG-CG2 4.15Å; Y775-F828 HydrophobicContact CE2-CE2 4.17Å; Y775-F828 HydrophobicContact CE2-CZ 4.31Å; Y775-F828 WeakPolarHBondContact OH-CZ 3.23Å; Y775-W833 AromaticContact CE1-CZ2 3.99Å; Y775-W833 HydrophobicContact CE1-CZ2 3.99Å; Y775-W833 PolarHBondContact OH-NE1 3.18Å
776	T	87.4	Confident	93.2	Very high	96 Å²	96	39.6 Å²	39.6	59%	0.589	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-19.4	170.2	70.5	0	0	0	0	112.4	D774 L821	D774-T776 PolarHBondContact O-N 3.13Å; D774-T776 VanDerWaalsContact O-N 3.12Å; D774-T776 WeakPolarHBondContact OD1-CB 3.5Å; D774-T776 PolarHBondContact OD1-N 3.27Å; D774-T776 PolarHBondContact OD1-OG1 2.92Å; D774-T776 PolarHBondContact OD2-OG1 3.25Å; T776-L821 HydrophobicContact CG2-CD2 3.97Å
777	Q	88.2	Confident	93	Very high	79 Å²	79	42.1 Å²	42.1	37%	0.369	23%	0.226	S	C	.	.	S	Bend	trans	-77.4	132.5	174.1	-173.1	176.3	-8.9	0	0	110	F772 D774 Y775	F772-Q777 HydrophobicContact CB-CB 4.28Å; F772-Q777 HydrophobicContact CB-CG 4.42Å; F772-Q777 HydrophobicContact CD2-CB 4.27Å; F772-Q777 HydrophobicContact CD2-CG 3.66Å; F772-Q777 HydrophobicContact CE2-CG 4.16Å; F772-Q777 VanDerWaalsContact CE2-NE2 3.31Å; F772-Q777 VanDerWaalsContact CG-CD 3.43Å; F772-Q777 HydrophobicContact CG-CG 4.12Å; D774-Q777 HydrophobicContact CB-CB 4.44Å; D774-Q777 VanDerWaalsContact O-CB 3.28Å; D774-Q777 WeakPolarHBondContact O-CB 3.22Å; D774-Q777 PolarHBondContact O-N 2.9Å; Y775-Q777 VanDerWaalsContact C-N 3.31Å
778	K	91.4	Very high	92.8	Very high	176 Å²	176	48.2 Å²	48.2	77%	0.765	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-64.6	133.6	175.5	-68.1	-175	177.4	-175.1	0	110
779	P	93.2	Very high	92.7	Very high	29 Å²	29	49.7 Å²	49.7	19%	0.188	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-55.7	146.3	171.4	-27.9	37.4	0	0	0	111.6	V769 F770 W813 M817	V769-P779 HydrophobicContact CG1-CB 3.94Å; F770-P779 CarbonylContact O-C 3.58Å; F770-P779 VanDerWaalsContact O-CA 3.28Å; F770-P779 WeakPolarHBondContact O-CA 3.12Å; F770-P779 WeakPolarHBondContact O-CB 3.49Å; P779-W813 HydrophobicContact CB-CB 4.39Å; P779-W813 HydrophobicContact CB-CG 4.44Å; P779-W813 HydrophobicContact CG-CB 4.15Å; P779-W813 HydrophobicContact CG-CE3 4.44Å; P779-M817 HydrophobicContact CG-CG 3.66Å; P779-M817 HydrophobicContact CG-SD 3.89Å
780	F	94.8	Very high	92.5	Very high	48 Å²	48	50.3 Å²	50.3	21%	0.211	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.6	-177.1	-169.2	-89.2	0	0	0	110.5	P721 Y722 L744 I746 F770 F772 I782	P721-F780 HydrophobicContact CB-CE1 3.84Å; P721-F780 HydrophobicContact CB-CZ 3.92Å; P721-F780 WeakPolarHBondContact O-CZ 3.46Å; Y722-F780 AromaticContact CE1-CE2 3.99Å; Y722-F780 HydrophobicContact CE1-CE2 3.99Å; Y722-F780 AromaticContact CE1-CZ 4Å; Y722-F780 HydrophobicContact CE1-CZ 4Å; L744-F780 HydrophobicContact CD1-CD1 4.15Å; L744-F780 HydrophobicContact CD1-CE1 3.39Å; L744-F780 HydrophobicContact CD1-CE2 4.12Å; L744-F780 HydrophobicContact CD1-CZ 3.38Å; L744-F780 HydrophobicContact CD2-CE1 4.25Å; L744-F780 HydrophobicContact CG-CE1 4.47Å; I746-F780 HydrophobicContact CD1-CD1 3.88Å; I746-F780 HydrophobicContact CD1-CE1 4.39Å; F770-F780 HydrophobicContact CB-CB 4.49Å; F770-F780 PolarHBondContact N-O 2.79Å; F770-F780 PolarHBondContact O-N 3.43Å; F772-F780 HydrophobicContact CE2-CB 3.9Å; F772-F780 HydrophobicContact CZ-CB 4.01Å; F780-I782 HydrophobicContact CD1-CG1 4.2Å; F780-I782 HydrophobicContact CE1-CG1 3.99Å
781	S	94.2	Very high	92.3	Very high	58 Å²	58	55.1 Å²	55.1	41%	0.406	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.6	-179.7	55.8	0	0	0	0	112.2	M768	M768-S781 CarbonylContact O-C 3.59Å; M768-S781 WeakPolarHBondContact O-CA 3.35Å
782	I	96.1	Very high	92.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.8	167.8	-56.6	-173.1	0	0	0	107	P721 L728 L735 L744 D767 M768 F770 F780 I785	P721-I782 HydrophobicContact CB-CG1 4.34Å; L728-I782 HydrophobicContact CD1-CD1 3.75Å; L728-I782 HydrophobicContact CD1-CG2 3.59Å; L728-I782 HydrophobicContact CD2-CD1 4.22Å; L735-I782 HydrophobicContact CD2-CD1 3.96Å; L744-I782 HydrophobicContact CD2-CD1 4.01Å; D767-I782 WeakPolarHBondContact CA-O 3.48Å; M768-I782 PolarHBondContact N-O 2.99Å; M768-I782 PolarHBondContact O-N 3.3Å; F770-I782 HydrophobicContact CD2-CD1 4.44Å; F770-I782 HydrophobicContact CE2-CD1 3.65Å; F770-I782 HydrophobicContact CE2-CG1 4.1Å; F780-I782 HydrophobicContact CD1-CG1 4.2Å; F780-I782 HydrophobicContact CE1-CG1 3.99Å; I782-I785 HydrophobicContact CB-CD1 4.25Å; I782-I785 HydrophobicContact CG2-CD1 3.85Å; I782-I785 HydrophobicContact CG2-CG1 3.96Å
783	T	95.3	Very high	92	Very high	44 Å²	44	58.1 Å²	58.1	27%	0.27	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	161.7	-173.2	62.3	0	0	0	0	112.7	V720 D767 I785	V720-T783 WeakPolarHBondContact CB-O 3.46Å; V720-T783 WeakPolarHBondContact CB-OG1 3.32Å; V720-T783 PolarHBondContact N-O 3.31Å; V720-T783 PolarHBondContact O-N 3.42Å; V720-T783 PolarHBondContact O-OG1 3.18Å; V720-T783 VanDerWaalsContact O-OG1 3.12Å; D767-T783 WeakPolarHBondContact OD1-CA 3.28Å; D767-T783 WeakPolarHBondContact OD1-CB 3.35Å; T783-I785 PolarHBondContact O-N 2.8Å
784	A	93.2	Very high	92	Very high	34 Å²	34	54.4 Å²	54.4	28%	0.281	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.6	43.5	171.9	0	0	0	0	0	114.4	V720 F766 D767	V720-A784 HydrophobicContact CG2-CB 4.11Å; F766-A784 PolarHBondContact O-N 3.22Å; D767-A784 PolarHBondContact OD1-N 3.39Å
785	I	95.7	Very high	92	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	128.6	173.4	-56.9	172.3	0	0	0	108.7	F717 N765 F766 M768 I782 T783 V789	F717-I785 HydrophobicContact CD2-CG2 4.1Å; F717-I785 HydrophobicContact CE2-CD1 4.06Å; N765-I785 CarbonylContact C-O 3.58Å; N765-I785 WeakPolarHBondContact CA-O 3.25Å; F766-I785 HydrophobicContact CD1-CB 4.34Å; F766-I785 HydrophobicContact CD1-CG2 4.47Å; F766-I785 VanDerWaalsContact CD1-O 3.3Å; F766-I785 WeakPolarHBondContact CD1-O 3.3Å; F766-I785 HydrophobicContact CD2-CB 4.34Å; F766-I785 HydrophobicContact CE1-CB 3.97Å; F766-I785 HydrophobicContact CE1-CG2 3.64Å; F766-I785 HydrophobicContact CE2-CB 3.95Å; F766-I785 HydrophobicContact CE2-CD1 4Å; F766-I785 HydrophobicContact CE2-CG2 4Å; F766-I785 HydrophobicContact CZ-CB 3.76Å; F766-I785 HydrophobicContact CZ-CD1 4.4Å; F766-I785 HydrophobicContact CZ-CG2 3.36Å; F766-I785 PolarHBondContact N-O 3.35Å; F766-I785 PolarHBondContact O-N 2.84Å; M768-I785 HydrophobicContact CB-CD1 3.58Å; M768-I785 HydrophobicContact SD-CD1 4.3Å; I782-I785 HydrophobicContact CB-CD1 4.25Å; I782-I785 HydrophobicContact CG2-CD1 3.85Å; I782-I785 HydrophobicContact CG2-CG1 3.96Å; T783-I785 PolarHBondContact O-N 2.8Å; I785-V789 HydrophobicContact CG2-CG2 3.49Å; I785-V789 VanDerWaalsContact CG2-CG2 3.49Å
786	P	94	Very high	92.2	Very high	36 Å²	36	53.8 Å²	53.8	23%	0.234	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	134.3	179.6	-26.9	36.9	0	0	0	113.6	Y718 F766 D788 V789	Y718-P786 WeakPolarHBondContact O-CD 3.39Å; F766-P786 VanDerWaalsContact CE1-O 3.3Å; F766-P786 WeakPolarHBondContact CE1-O 3.33Å; P786-D788 WeakPolarHBondContact CB-OD1 3.48Å; P786-D788 PolarHBondContact O-N 3.29Å; P786-V789 WeakPolarHBondContact O-CG2 3.24Å; P786-V789 PolarHBondContact O-N 3Å; P786-V789 VanDerWaalsContact O-N 3.16Å
787	T	91	Very high	92.4	Very high	54 Å²	54	49.2 Å²	49.2	33%	0.331	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-64	-23.3	-175.6	-54.8	0	0	0	0	113.7	L763 K764 N765 V789 L790	L763-T787 PolarHBondContact O-OG1 2.59Å; L763-T787 VanDerWaalsContact O-OG1 3.06Å; K764-T787 PolarHBondContact O-N 3.35Å; K764-T787 PolarHBondContact O-OG1 2.79Å; N765-T787 PolarHBondContact N-OG1 2.94Å; T787-V789 PolarHBondContact O-N 2.79Å; T787-L790 VanDerWaalsContact O-CB 3.29Å; T787-L790 WeakPolarHBondContact O-CB 3.38Å; T787-L790 PolarHBondContact O-N 2.97Å
788	D	91.3	Very high	92.4	Very high	140 Å²	140	46.2 Å²	46.2	75%	0.749	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-65.1	-21.2	176.5	59.5	-49.3	0	0	0	113.7	P786	P786-D788 WeakPolarHBondContact CB-OD1 3.48Å; P786-D788 PolarHBondContact O-N 3.29Å
789	V	92.8	Very high	92.2	Very high	31 Å²	31	42 Å²	42	19%	0.188	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-93.7	-2.7	175.7	-60.8	0	0	0	0	113.9	F717 I785 P786 T787 D791 H792 V793	F717-V789 HydrophobicContact CB-CB 4.42Å; F717-V789 HydrophobicContact CB-CG1 4.41Å; F717-V789 HydrophobicContact CB-CG2 4.18Å; I785-V789 HydrophobicContact CG2-CG2 3.49Å; I785-V789 VanDerWaalsContact CG2-CG2 3.49Å; P786-V789 WeakPolarHBondContact O-CG2 3.24Å; P786-V789 PolarHBondContact O-N 3Å; P786-V789 VanDerWaalsContact O-N 3.16Å; T787-V789 PolarHBondContact O-N 2.79Å; V789-D791 PolarHBondContact O-N 3.2Å; V789-H792 WeakPolarHBondContact O-CB 3.49Å; V789-H792 PolarHBondContact O-N 3.31Å; V789-H792 VanDerWaalsContact O-N 3.12Å; V789-V793 HydrophobicContact CG2-CG2 4.37Å; V789-V793 WeakPolarHBondContact O-CG2 3.49Å; V789-V793 PolarHBondContact O-N 2.8Å
790	L	91.6	Very high	91.9	Very high	14 Å²	14	42.7 Å²	42.7	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-55.6	-48.6	-173.9	-179.4	63.6	0	0	0	112.8	F756 V759 F766 T787 H792 V793 K794	F756-L790 HydrophobicContact CD1-CD1 4.29Å; F756-L790 HydrophobicContact CE1-CD1 4.43Å; F756-L790 HydrophobicContact CG-CD1 4.36Å; V759-L790 HydrophobicContact CG1-CD2 3.78Å; F766-L790 HydrophobicContact CD1-CB 4.35Å; F766-L790 HydrophobicContact CD1-CD1 4.17Å; F766-L790 HydrophobicContact CD2-CD1 4.09Å; F766-L790 HydrophobicContact CE1-CB 3.73Å; F766-L790 HydrophobicContact CE1-CD1 3.83Å; F766-L790 HydrophobicContact CE1-CG 4.35Å; F766-L790 HydrophobicContact CE2-CD1 3.77Å; F766-L790 HydrophobicContact CG-CD1 4.29Å; F766-L790 HydrophobicContact CZ-CB 4.14Å; F766-L790 HydrophobicContact CZ-CD1 3.62Å; F766-L790 HydrophobicContact CZ-CG 4.5Å; T787-L790 VanDerWaalsContact O-CB 3.29Å; T787-L790 WeakPolarHBondContact O-CB 3.38Å; T787-L790 PolarHBondContact O-N 2.97Å; L790-H792 VanDerWaalsContact C-N 3.31Å; L790-H792 PolarHBondContact O-N 3.19Å; L790-V793 PolarHBondContact O-N 2.98Å; L790-K794 HydrophobicContact CG-CD 4.33Å; L790-K794 WeakPolarHBondContact O-CG 3.36Å; L790-K794 PolarHBondContact O-N 3.48Å
791	D	90.6	Very high	91.6	Very high	101 Å²	101	45.2 Å²	45.2	54%	0.54	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-37.9	-179.9	-71.2	-24.7	0	0	0	111.8	V789 K794 D795	V789-D791 PolarHBondContact O-N 3.2Å; D791-K794 PolarHBondContact O-N 3.45Å; D791-D795 WeakPolarHBondContact O-CB 3.44Å; D791-D795 PolarHBondContact O-N 2.78Å
792	H	90.7	Very high	91.4	Very high	74 Å²	74	42.9 Å²	42.9	34%	0.343	25%	0.246	S	C	.	.	H	α-helix	trans	-65.9	-42.1	176.9	179.7	-81.5	0	0	0	111.6	L715 V789 L790 D795 W796	L715-H792 WeakPolarHBondContact CD2-NE2 3.25Å; V789-H792 WeakPolarHBondContact O-CB 3.49Å; V789-H792 PolarHBondContact O-N 3.31Å; V789-H792 VanDerWaalsContact O-N 3.12Å; L790-H792 VanDerWaalsContact C-N 3.31Å; L790-H792 PolarHBondContact O-N 3.19Å; H792-D795 PolarHBondContact O-N 2.86Å; H792-W796 WeakPolarHBondContact O-CB 3.49Å; H792-W796 PolarHBondContact O-N 3.26Å
793	V	92.1	Very high	91.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-41.5	176.2	178.2	0	0	0	0	110.6	F717 F756 M768 V789 L790 W796 L797	F717-V793 HydrophobicContact CD1-CG2 3.99Å; F717-V793 HydrophobicContact CD2-CG2 4.4Å; F717-V793 HydrophobicContact CE1-CG2 4.09Å; F717-V793 HydrophobicContact CE2-CG2 4.49Å; F717-V793 HydrophobicContact CG-CG2 4.16Å; F717-V793 HydrophobicContact CZ-CG2 4.33Å; F756-V793 HydrophobicContact CE1-CG1 3.91Å; F756-V793 HydrophobicContact CZ-CG1 3.87Å; M768-V793 HydrophobicContact CE-CG1 4.22Å; M768-V793 HydrophobicContact SD-CG1 4.19Å; V789-V793 HydrophobicContact CG2-CG2 4.37Å; V789-V793 WeakPolarHBondContact O-CG2 3.49Å; V789-V793 PolarHBondContact O-N 2.8Å; L790-V793 PolarHBondContact O-N 2.98Å; V793-W796 HydrophobicContact CG1-CE3 4.09Å; V793-W796 HydrophobicContact CG1-CZ3 4.38Å; V793-W796 PolarHBondContact O-N 3.41Å; V793-L797 HydrophobicContact CG1-CD1 4.49Å; V793-L797 WeakPolarHBondContact O-CG 3.26Å; V793-L797 PolarHBondContact O-N 2.93Å
794	K	91.6	Very high	91.1	Very high	21 Å²	21	42.8 Å²	42.8	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-46.7	174	-75	175.7	176	179.8	0	111.5	F756 L790 D791 W796 L797 N798 Y804 E806	F756-K794 HydrophobicContact CE2-CG 3.85Å; F756-K794 HydrophobicContact CZ-CG 4.24Å; L790-K794 HydrophobicContact CG-CD 4.33Å; L790-K794 WeakPolarHBondContact O-CG 3.36Å; L790-K794 PolarHBondContact O-N 3.48Å; D791-K794 PolarHBondContact O-N 3.45Å; K794-W796 VanDerWaalsContact C-N 3.31Å; K794-W796 PolarHBondContact O-N 2.96Å; K794-L797 PolarHBondContact O-N 2.89Å; K794-N798 PolarHBondContact O-N 2.64Å; K794-N798 PolarHBondContact O-ND2 3.05Å; K794-Y804 HydrophobicContact CB-CE1 4.41Å; K794-Y804 HydrophobicContact CD-CE2 4.17Å; K794-Y804 HydrophobicContact CG-CD2 4.48Å; K794-Y804 HydrophobicContact CG-CE2 3.99Å; K794-E806 WeakPolarHBondContact CE-OE2 3.31Å; K794-E806 IonicContact NZ-OE2 2.68Å; K794-E806 PolarHBondContact NZ-OE2 2.78Å
795	D	89.6	Confident	91	Very high	79 Å²	79	41.6 Å²	41.6	42%	0.422	23%	0.232	S	C	.	.	H	α-helix	trans	-61.1	-40.6	177.5	-81.3	-22.2	0	0	0	112.4	R408 D791 H792 N798 S799	R408-D795 IonicContact CZ-OD1 2.58Å; R408-D795 IonicContact NE-OD1 3.64Å; R408-D795 PolarHBondContact NE-OD1 3.08Å; R408-D795 VanDerWaalsContact NH2-CG 3.33Å; R408-D795 IonicContact NH2-OD1 3.43Å; R408-D795 PolarHBondContact NH2-OD1 3.35Å; R408-D795 IonicContact NH2-OD2 3.63Å; R408-D795 PolarHBondContact NH2-OD2 3.2Å; D791-D795 WeakPolarHBondContact O-CB 3.44Å; D791-D795 PolarHBondContact O-N 2.78Å; H792-D795 PolarHBondContact O-N 2.86Å; D795-N798 PolarHBondContact O-N 2.99Å; D795-S799 PolarHBondContact O-N 3.43Å
796	W	91.4	Very high	90.8	Very high	15 Å²	15	46.2 Å²	46.2	6%	0.057	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-48.9	173.6	166.7	55.2	0	0	0	112.2	F717 P730 L735 L748 M768 H792 V793 K794 N798 S799 C800	F717-W796 HydrophobicContact CE1-CE3 4.37Å; F717-W796 HydrophobicContact CE1-CZ3 4.18Å; F717-W796 HydrophobicContact CZ-CZ3 4.37Å; P730-W796 HydrophobicContact CB-CZ2 4.05Å; P730-W796 HydrophobicContact CG-CD2 4.09Å; P730-W796 HydrophobicContact CG-CG 4.43Å; P730-W796 HydrophobicContact CG-CZ2 4.05Å; L735-W796 HydrophobicContact CB-CH2 3.96Å; L735-W796 HydrophobicContact CB-CZ2 4.3Å; L735-W796 HydrophobicContact CD1-CH2 3.81Å; L735-W796 HydrophobicContact CD1-CZ2 4.24Å; L735-W796 HydrophobicContact CD1-CZ3 4.42Å; L735-W796 HydrophobicContact CD2-CH2 3.96Å; L735-W796 HydrophobicContact CD2-CZ3 4.43Å; L735-W796 HydrophobicContact CG-CH2 4.12Å; L748-W796 HydrophobicContact CD1-CZ2 4.16Å; L748-W796 HydrophobicContact CD2-CH2 4.17Å; L748-W796 HydrophobicContact CD2-CZ2 3.87Å; M768-W796 HydrophobicContact CE-CZ3 4.11Å; H792-W796 WeakPolarHBondContact O-CB 3.49Å; H792-W796 PolarHBondContact O-N 3.26Å; V793-W796 HydrophobicContact CG1-CE3 4.09Å; V793-W796 HydrophobicContact CG1-CZ3 4.38Å; V793-W796 PolarHBondContact O-N 3.41Å; K794-W796 VanDerWaalsContact C-N 3.31Å; K794-W796 PolarHBondContact O-N 2.96Å; W796-N798 VanDerWaalsContact C-N 3.3Å; W796-N798 PolarHBondContact O-N 3.21Å; W796-S799 WeakPolarHBondContact O-CB 3.31Å; W796-S799 PolarHBondContact O-N 3.43Å; W796-S799 PolarHBondContact O-OG 3.27Å; W796-C800 PolarHBondContact NE1-SG 3.17Å; W796-C800 VanDerWaalsContact NE1-SG 3.41Å; W796-C800 PolarHBondContact O-N 3.39Å; W796-C800 VanDerWaalsContact O-N 3.13Å; W796-C800 PolarHBondContact O-SG 2.92Å
797	L	91.2	Very high	90.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-39.3	177.7	-69.2	177.8	0	0	0	112.6	V754 F756 M768 V793 K794 S799 C800 D801 I802 Y804	V754-L797 HydrophobicContact CB-CD1 4Å; V754-L797 HydrophobicContact CG1-CD1 3.96Å; V754-L797 HydrophobicContact CG2-CD1 4.21Å; V754-L797 HydrophobicContact CG2-CD2 4.03Å; F756-L797 HydrophobicContact CE1-CD1 4.47Å; F756-L797 HydrophobicContact CE2-CD1 3.94Å; F756-L797 HydrophobicContact CZ-CD1 3.5Å; M768-L797 HydrophobicContact CE-CD1 4.04Å; M768-L797 HydrophobicContact CE-CD2 3.97Å; M768-L797 HydrophobicContact CE-CG 4.4Å; V793-L797 HydrophobicContact CG1-CD1 4.49Å; V793-L797 WeakPolarHBondContact O-CG 3.26Å; V793-L797 PolarHBondContact O-N 2.93Å; K794-L797 PolarHBondContact O-N 2.89Å; L797-S799 VanDerWaalsContact C-N 3.32Å; L797-S799 PolarHBondContact O-N 3.39Å; L797-C800 CarbonylContact O-C 3.53Å; L797-C800 PolarHBondContact O-N 3.27Å; L797-D801 PolarHBondContact O-N 2.79Å; L797-I802 HydrophobicContact CD2-CB 4.23Å; L797-I802 HydrophobicContact CD2-CD1 4.18Å; L797-I802 HydrophobicContact CD2-CG2 4.26Å; L797-I802 PolarHBondContact O-N 3.31Å; L797-Y804 HydrophobicContact CB-CD1 3.93Å; L797-Y804 HydrophobicContact CB-CE1 4.47Å; L797-Y804 HydrophobicContact CD1-CD1 3.98Å; L797-Y804 HydrophobicContact CD1-CG 4.16Å
798	N	88.3	Confident	90.6	Very high	16 Å²	16	47.6 Å²	47.6	9%	0.086	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-39.2	173.5	-77.4	-66.1	0	0	0	112.5	R408 Q412 K794 D795 W796 C800 D801 Y804	R408-N798 WeakPolarHBondContact CD-ND2 3.44Å; R408-N798 WeakPolarHBondContact CG-ND2 3.45Å; Q412-N798 VanDerWaalsContact CG-OD1 3.28Å; Q412-N798 WeakPolarHBondContact CG-OD1 3.47Å; Q412-N798 PolarHBondContact NE2-OD1 2.91Å; K794-N798 PolarHBondContact O-N 2.64Å; K794-N798 PolarHBondContact O-ND2 3.05Å; D795-N798 PolarHBondContact O-N 2.99Å; W796-N798 VanDerWaalsContact C-N 3.3Å; W796-N798 PolarHBondContact O-N 3.21Å; N798-C800 PolarHBondContact O-N 3.42Å; N798-D801 PolarHBondContact O-N 3.5Å; N798-Y804 VanDerWaalsContact ND2-CE1 3.33Å; N798-Y804 WeakPolarHBondContact ND2-CE1 3.32Å; N798-Y804 PolarHBondContact ND2-OH 3Å
799	S	88	Confident	90.4	Very high	88 Å²	88	47 Å²	47	62%	0.615	25%	0.253	S	S	*	.	H	α-helix	trans	-69.4	-20.2	177.6	74.8	0	0	0	0	113.4	D795 W796 L797	D795-S799 PolarHBondContact O-N 3.43Å; W796-S799 WeakPolarHBondContact O-CB 3.31Å; W796-S799 PolarHBondContact O-N 3.43Å; W796-S799 PolarHBondContact O-OG 3.27Å; L797-S799 VanDerWaalsContact C-N 3.32Å; L797-S799 PolarHBondContact O-N 3.39Å
800	C	87.1	Confident	90.3	Very high	44 Å²	44	48.8 Å²	48.8	30%	0.297	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	5.5	176	-64.1	0	0	0	0	113.2	W796 L797 N798 I802	W796-C800 PolarHBondContact NE1-SG 3.17Å; W796-C800 VanDerWaalsContact NE1-SG 3.41Å; W796-C800 PolarHBondContact O-N 3.39Å; W796-C800 VanDerWaalsContact O-N 3.13Å; W796-C800 PolarHBondContact O-SG 2.92Å; L797-C800 CarbonylContact O-C 3.53Å; L797-C800 PolarHBondContact O-N 3.27Å; N798-C800 PolarHBondContact O-N 3.42Å; C800-I802 HydrophobicContact CB-CD1 3.93Å; C800-I802 HydrophobicContact CB-CG1 3.94Å; C800-I802 PolarHBondContact O-N 3.18Å
801	D	88.1	Confident	90.2	Very high	101 Å²	101	50.6 Å²	50.6	54%	0.54	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	32.6	-174.8	-58.7	-35.8	0	0	0	113.6	H411 L415 L797 N798	H411-D801 IonicContact CE1-OD1 3.67Å; H411-D801 PolarHBondContact CE1-OD1 2.78Å; H411-D801 IonicContact NE2-OD1 3.47Å; L415-D801 HydrophobicContact CD2-CB 4.07Å; L797-D801 PolarHBondContact O-N 2.79Å; N798-D801 PolarHBondContact O-N 3.5Å
802	I	90.2	Very high	90.2	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.046	28%	0.275	C	S	.	.			trans	-95.6	121.8	177.8	-59.3	175.9	0	0	0	108.8	Q412 L748 V751 V754 L797 C800	Q412-I802 PolarHBondContact NE2-O 2.97Å; Q412-I802 VanDerWaalsContact NE2-O 3.16Å; L748-I802 HydrophobicContact CB-CD1 4.11Å; L748-I802 HydrophobicContact CD2-CD1 3.87Å; L748-I802 HydrophobicContact CG-CD1 4.43Å; V751-I802 HydrophobicContact CG1-CG2 4.06Å; V754-I802 HydrophobicContact CG2-CG2 3.94Å; L797-I802 HydrophobicContact CD2-CB 4.23Å; L797-I802 HydrophobicContact CD2-CD1 4.18Å; L797-I802 HydrophobicContact CD2-CG2 4.26Å; L797-I802 PolarHBondContact O-N 3.31Å; C800-I802 HydrophobicContact CB-CD1 3.93Å; C800-I802 HydrophobicContact CB-CG1 3.94Å; C800-I802 PolarHBondContact O-N 3.18Å
803	P	91.2	Very high	90.3	Very high	11 Å²	11	48 Å²	48	7%	0.071	26%	0.263	C	S	.	.			trans	-70	140.3	175.9	23.1	-25.2	0	0	0	110.7	L415 I416 L419 E752 L753 V754	L415-P803 HydrophobicContact CB-CB 4.17Å; I416-P803 HydrophobicContact CG1-CB 3.78Å; L419-P803 HydrophobicContact CD1-CB 4.31Å; L419-P803 HydrophobicContact CD1-CG 3.26Å; E752-P803 WeakPolarHBondContact O-CG 3.29Å; L753-P803 WeakPolarHBondContact CA-O 3.44Å; L753-P803 HydrophobicContact CB-CG 4.04Å; L753-P803 WeakPolarHBondContact CB-O 3.16Å; V754-P803 PolarHBondContact N-O 3.32Å
804	Y	93	Very high	90.2	Very high	30 Å²	30	52.6 Å²	52.6	12%	0.118	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.3	174.5	65.3	-96.2	0	0	0	113.2	R408 Q412 V754 F756 K794 L797 N798	R408-Y804 WeakPolarHBondContact CD-OH 3.5Å; R408-Y804 WeakPolarHBondContact CG-OH 3.29Å; Q412-Y804 VanDerWaalsContact CD-CD1 3.49Å; Q412-Y804 HydrophobicContact CG-CD1 4.33Å; Q412-Y804 HydrophobicContact CG-CE1 3.67Å; V754-Y804 CarbonylContact O-C 3.55Å; V754-Y804 WeakPolarHBondContact O-CA 3.31Å; V754-Y804 WeakPolarHBondContact O-CB 3.33Å; F756-Y804 HydrophobicContact CD2-CD2 4.09Å; F756-Y804 HydrophobicContact CD2-CG 4.48Å; F756-Y804 AromaticContact CE2-CD2 3.73Å; F756-Y804 HydrophobicContact CE2-CD2 3.73Å; F756-Y804 AromaticContact CE2-CG 3.83Å; F756-Y804 HydrophobicContact CE2-CG 3.83Å; K794-Y804 HydrophobicContact CB-CE1 4.41Å; K794-Y804 HydrophobicContact CD-CE2 4.17Å; K794-Y804 HydrophobicContact CG-CD2 4.48Å; K794-Y804 HydrophobicContact CG-CE2 3.99Å; L797-Y804 HydrophobicContact CB-CD1 3.93Å; L797-Y804 HydrophobicContact CB-CE1 4.47Å; L797-Y804 HydrophobicContact CD1-CD1 3.98Å; L797-Y804 HydrophobicContact CD1-CG 4.16Å; N798-Y804 VanDerWaalsContact ND2-CE1 3.33Å; N798-Y804 WeakPolarHBondContact ND2-CE1 3.32Å; N798-Y804 PolarHBondContact ND2-OH 3Å
805	S	91.9	Very high	90.1	Very high	9 Å²	9	59 Å²	59	6%	0.063	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	162.2	173.6	50.8	0	0	0	0	109.8	V754 H755 F756	V754-S805 PolarHBondContact O-N 3.3Å; H755-S805 PolarHBondContact ND1-OG 3.29Å; F756-S805 WeakPolarHBondContact CD2-O 3.35Å; F756-S805 PolarHBondContact N-O 2.98Å
806	E	91.6	Very high	90.1	Very high	97 Å²	97	56.8 Å²	56.8	45%	0.453	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.6	178.3	63.6	-171.8	-179.3	0	0	110.7	F756 V759 K794	F756-E806 HydrophobicContact CB-CB 4.29Å; F756-E806 CarbonylContact O-C 3.59Å; F756-E806 WeakPolarHBondContact O-CA 3.5Å; V759-E806 HydrophobicContact CG2-CB 4.45Å; K794-E806 WeakPolarHBondContact CE-OE2 3.31Å; K794-E806 IonicContact NZ-OE2 2.68Å; K794-E806 PolarHBondContact NZ-OE2 2.78Å
807	G	89.6	Confident	90	Very high	18 Å²	18	56.6 Å²	56.6	19%	0.186	31%	0.309	C	S	.	.			trans	-148.4	148	-174.9	0	0	0	0	0	112.4	F756 E757 R758 V759	F756-G807 PolarHBondContact O-N 3.39Å; E757-G807 CarbonylContact C-O 3.55Å; R758-G807 PolarHBondContact N-O 3.33Å; V759-G807 PolarHBondContact N-O 2.72Å; V759-G807 VanDerWaalsContact N-O 3.17Å
808	I	90	Very high	89.9	Confident	102 Å²	102	62.4 Å²	62.4	52%	0.523	33%	0.334	S	S	.	.	S	Bend	trans	-78.6	-33.6	178.3	-67.9	175.6	0	0	0	110.8	Q760	Q760-I808 HydrophobicContact CG-CB 4.33Å; Q760-I808 HydrophobicContact CG-CG1 4.26Å; Q760-I808 HydrophobicContact CG-CG2 3.85Å; Q760-I808 PolarHBondContact NE2-O 3.08Å; Q760-I808 VanDerWaalsContact NE2-O 3.15Å
809	Q	87.6	Confident	89.9	Confident	128 Å²	128	65.2 Å²	65.2	60%	0.598	35%	0.354	S	S	*	.	S	Bend	trans	-98.2	154.7	-174.9	-58.9	-174.9	19.4	0	0	111.3
810	S	89.9	Confident	89.8	Confident	68 Å²	68	61.1 Å²	61.1	48%	0.476	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-90.4	127.8	167.7	-75.6	0	0	0	0	110.1	E757	E757-S810 VanDerWaalsContact OE2-CA 3.31Å; E757-S810 WeakPolarHBondContact OE2-CA 3.42Å; E757-S810 WeakPolarHBondContact OE2-CB 3.44Å; E757-S810 PolarHBondContact OE2-OG 3.32Å
811	L	90.5	Very high	89.8	Confident	52 Å²	52	63.5 Å²	63.5	27%	0.272	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-93.3	150.5	-171.6	-61.9	178	0	0	0	111.9	E757 W813 I816 L836	E757-L811 PolarHBondContact OE1-N 3.48Å; L811-W813 HydrophobicContact CB-CZ2 4.26Å; L811-W813 HydrophobicContact CD1-CH2 4.12Å; L811-W813 HydrophobicContact CD1-CZ2 3.98Å; L811-W813 PolarHBondContact O-N 3.16Å; L811-I816 HydrophobicContact CB-CD1 3.94Å; L811-I816 HydrophobicContact CD1-CD1 4.35Å; L811-L836 HydrophobicContact CD1-CD2 3.45Å; L811-L836 VanDerWaalsContact CD1-CD2 3.45Å
812	N	91.3	Very high	89.8	Confident	98 Å²	98	65 Å²	65	52%	0.524	34%	0.339	S	S	.	.			trans	-83.3	79.8	173.7	-171.1	-23.6	0	0	0	110.7	P814 K815 I816	N812-P814 VanDerWaalsContact OD1-CD 3.31Å; N812-P814 WeakPolarHBondContact OD1-CD 3.39Å; N812-K815 HydrophobicContact CB-CB 4.32Å; N812-K815 PolarHBondContact O-N 3.05Å; N812-K815 VanDerWaalsContact O-N 3.16Å; N812-K815 PolarHBondContact OD1-N 2.83Å; N812-I816 WeakPolarHBondContact O-CG1 3.5Å; N812-I816 PolarHBondContact O-N 2.82Å; N812-I816 VanDerWaalsContact O-N 3.14Å
813	W	92	Very high	89.5	Confident	21 Å²	21	68.9 Å²	68.9	8%	0.08	36%	0.36	C	S	.	.	H	α-helix	trans	-53.5	-44.4	-179.4	-66.3	102.5	0	0	0	114.6	H755 E757 V769 I771 P779 L811 K815 I816 M817 W833 L836	H755-W813 HydrophobicContact CB-CH2 3.94Å; H755-W813 HydrophobicContact CB-CZ2 3.77Å; H755-W813 AromaticContact CD2-CZ2 3.67Å; H755-W813 AromaticContact CG-CZ2 3.92Å; E757-W813 PolarHBondContact OE1-NE1 2.79Å; V769-W813 HydrophobicContact CB-CZ2 4.24Å; V769-W813 HydrophobicContact CG1-CD2 4.14Å; V769-W813 HydrophobicContact CG1-CG 4.34Å; V769-W813 HydrophobicContact CG1-CZ2 4.15Å; I771-W813 HydrophobicContact CD1-CE3 4.39Å; I771-W813 HydrophobicContact CD1-CH2 3.57Å; I771-W813 HydrophobicContact CD1-CZ2 4.44Å; I771-W813 HydrophobicContact CD1-CZ3 3.53Å; I771-W813 HydrophobicContact CG1-CE3 4.24Å; I771-W813 HydrophobicContact CG1-CH2 4.23Å; I771-W813 HydrophobicContact CG1-CZ3 3.84Å; P779-W813 HydrophobicContact CB-CB 4.39Å; P779-W813 HydrophobicContact CB-CG 4.44Å; P779-W813 HydrophobicContact CG-CB 4.15Å; P779-W813 HydrophobicContact CG-CE3 4.44Å; L811-W813 HydrophobicContact CB-CZ2 4.26Å; L811-W813 HydrophobicContact CD1-CH2 4.12Å; L811-W813 HydrophobicContact CD1-CZ2 3.98Å; L811-W813 PolarHBondContact O-N 3.16Å; W813-K815 VanDerWaalsContact C-N 3.28Å; W813-K815 PolarHBondContact O-N 3.37Å; W813-I816 HydrophobicContact CE3-CD1 4.39Å; W813-I816 PolarHBondContact O-N 2.85Å; W813-M817 WeakPolarHBondContact O-CB 3.46Å; W813-M817 VanDerWaalsContact O-CG 3.26Å; W813-M817 WeakPolarHBondContact O-CG 2.96Å; W813-M817 PolarHBondContact O-N 3.45Å; W813-W833 HydrophobicContact CZ3-CZ3 4.14Å; W813-L836 HydrophobicContact CH2-CD1 4.36Å; W813-L836 HydrophobicContact CH2-CD2 4.22Å
814	P	89.8	Confident	89.1	Confident	97 Å²	97	69.5 Å²	69.5	63%	0.63	37%	0.365	S	S	*	.	H	α-helix	trans	-54.3	-41.7	176.1	-28.5	34.6	0	0	0	114	N812 K818	N812-P814 VanDerWaalsContact OD1-CD 3.31Å; N812-P814 WeakPolarHBondContact OD1-CD 3.39Å; P814-K818 WeakPolarHBondContact O-CB 3.44Å; P814-K818 PolarHBondContact O-N 3.02Å; P814-K818 VanDerWaalsContact O-N 3.09Å
815	K	89.8	Confident	88.3	Confident	155 Å²	155	73 Å²	73	67%	0.674	38%	0.383	S	S	*	.	H	α-helix	trans	-69	-43.2	178	-172.3	-179	178	-174	0	111.6	N812 W813 K818 S819	N812-K815 HydrophobicContact CB-CB 4.32Å; N812-K815 PolarHBondContact O-N 3.05Å; N812-K815 VanDerWaalsContact O-N 3.16Å; N812-K815 PolarHBondContact OD1-N 2.83Å; W813-K815 VanDerWaalsContact C-N 3.28Å; W813-K815 PolarHBondContact O-N 3.37Å; K815-K818 PolarHBondContact O-N 3.24Å; K815-S819 PolarHBondContact O-N 3.29Å
816	I	89.6	Confident	87.8	Confident	33 Å²	33	73.8 Å²	73.8	17%	0.169	39%	0.392	C	S	.	.	H	α-helix	trans	-62.6	-49.7	178.6	-65.1	168.4	0	0	0	110.3	L811 N812 W813 K818 S819 I820 F835	L811-I816 HydrophobicContact CB-CD1 3.94Å; L811-I816 HydrophobicContact CD1-CD1 4.35Å; N812-I816 WeakPolarHBondContact O-CG1 3.5Å; N812-I816 PolarHBondContact O-N 2.82Å; N812-I816 VanDerWaalsContact O-N 3.14Å; W813-I816 HydrophobicContact CE3-CD1 4.39Å; W813-I816 PolarHBondContact O-N 2.85Å; I816-K818 VanDerWaalsContact C-N 3.32Å; I816-K818 PolarHBondContact O-N 3.25Å; I816-S819 WeakPolarHBondContact O-CB 3.45Å; I816-S819 PolarHBondContact O-N 3.18Å; I816-I820 HydrophobicContact CG2-CD1 3.81Å; I816-I820 HydrophobicContact CG2-CG1 4.48Å; I816-I820 WeakPolarHBondContact O-CG1 3.14Å; I816-I820 PolarHBondContact O-N 3.32Å; I816-F835 HydrophobicContact CG2-CZ 4.32Å
817	M	89.8	Confident	87.4	Confident	12 Å²	12	70.4 Å²	70.4	6%	0.059	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-37.4	179.7	-63.9	-54.1	-65.1	0	0	112.1	Y775 P779 W813 I820 L821	Y775-M817 HydrophobicContact CD1-CE 3.88Å; Y775-M817 HydrophobicContact CG-CE 4.1Å; Y775-M817 VanDerWaalsContact O-CE 3.28Å; Y775-M817 WeakPolarHBondContact O-CE 3.47Å; P779-M817 HydrophobicContact CG-CG 3.66Å; P779-M817 HydrophobicContact CG-SD 3.89Å; W813-M817 WeakPolarHBondContact O-CB 3.46Å; W813-M817 VanDerWaalsContact O-CG 3.26Å; W813-M817 WeakPolarHBondContact O-CG 2.96Å; W813-M817 PolarHBondContact O-N 3.45Å; M817-I820 PolarHBondContact O-N 3.36Å; M817-I820 HydrophobicContact SD-CD1 4.32Å; M817-L821 WeakPolarHBondContact O-CB 3.32Å; M817-L821 VanDerWaalsContact O-CG 3.3Å; M817-L821 WeakPolarHBondContact O-CG 3.25Å; M817-L821 PolarHBondContact O-N 3.15Å
818	K	88.8	Confident	87	Confident	122 Å²	122	70.5 Å²	70.5	53%	0.53	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-46.2	174.4	-165.4	-173.4	-176.9	-158.3	0	111.3	P814 K815 I816 I820 L821 E822	P814-K818 WeakPolarHBondContact O-CB 3.44Å; P814-K818 PolarHBondContact O-N 3.02Å; P814-K818 VanDerWaalsContact O-N 3.09Å; K815-K818 PolarHBondContact O-N 3.24Å; I816-K818 VanDerWaalsContact C-N 3.32Å; I816-K818 PolarHBondContact O-N 3.25Å; K818-I820 VanDerWaalsContact C-N 3.34Å; K818-I820 PolarHBondContact O-N 3.42Å; K818-L821 PolarHBondContact O-N 3.23Å; K818-E822 WeakPolarHBondContact CE-OE1 3.25Å; K818-E822 IonicContact NZ-OE1 3.42Å; K818-E822 WeakPolarHBondContact O-CG 3.32Å; K818-E822 PolarHBondContact O-N 3.48Å
819	S	87.1	Confident	86.5	Confident	74 Å²	74	70.6 Å²	70.6	52%	0.517	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-39.9	176.6	-172.2	0	0	0	0	112.7	K815 I816 E822 D823	K815-S819 PolarHBondContact O-N 3.29Å; I816-S819 WeakPolarHBondContact O-CB 3.45Å; I816-S819 PolarHBondContact O-N 3.18Å; S819-E822 PolarHBondContact O-N 3.24Å; S819-D823 PolarHBondContact O-N 3.45Å; S819-D823 VanDerWaalsContact O-N 3.13Å
820	I	87.6	Confident	86.1	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-67.5	-37.7	176.8	-65.5	168.6	0	0	0	111	Y775 I816 M817 K818 D823 A824 F827 W833	Y775-I820 HydrophobicContact CD2-CG2 3.57Å; Y775-I820 HydrophobicContact CE2-CG2 3.92Å; Y775-I820 HydrophobicContact CG-CG2 4.15Å; I816-I820 HydrophobicContact CG2-CD1 3.81Å; I816-I820 HydrophobicContact CG2-CG1 4.48Å; I816-I820 WeakPolarHBondContact O-CG1 3.14Å; I816-I820 PolarHBondContact O-N 3.32Å; M817-I820 PolarHBondContact O-N 3.36Å; M817-I820 HydrophobicContact SD-CD1 4.32Å; K818-I820 VanDerWaalsContact C-N 3.34Å; K818-I820 PolarHBondContact O-N 3.42Å; I820-D823 CarbonylContact O-C 3.59Å; I820-A824 VanDerWaalsContact O-CA 3.22Å; I820-A824 WeakPolarHBondContact O-CA 3.26Å; I820-A824 WeakPolarHBondContact O-CB 3.45Å; I820-A824 PolarHBondContact O-N 3.25Å; I820-A824 VanDerWaalsContact O-N 3.08Å; I820-F827 HydrophobicContact CD1-CD2 4.39Å; I820-F827 HydrophobicContact CD1-CE1 4.12Å; I820-F827 HydrophobicContact CD1-CE2 4Å; I820-F827 HydrophobicContact CD1-CZ 3.85Å; I820-F827 HydrophobicContact CG1-CD1 4.2Å; I820-F827 HydrophobicContact CG1-CD2 3.84Å; I820-F827 HydrophobicContact CG1-CE1 4.3Å; I820-F827 HydrophobicContact CG1-CE2 3.95Å; I820-F827 HydrophobicContact CG1-CG 3.96Å; I820-F827 HydrophobicContact CG1-CZ 4.18Å; I820-F827 HydrophobicContact CG2-CD1 4.31Å; I820-W833 HydrophobicContact CD1-CH2 3.62Å; I820-W833 HydrophobicContact CD1-CZ2 4.02Å; I820-W833 HydrophobicContact CD1-CZ3 4.2Å
821	L	87	Confident	85.4	Confident	95 Å²	95	66.8 Å²	66.8	50%	0.497	36%	0.364	S	S	.	.	H	α-helix	trans	-71.5	-31	177.5	-74.3	171.1	0	0	0	112.9	T776 M817 K818	T776-L821 HydrophobicContact CG2-CD2 3.97Å; M817-L821 WeakPolarHBondContact O-CB 3.32Å; M817-L821 VanDerWaalsContact O-CG 3.3Å; M817-L821 WeakPolarHBondContact O-CG 3.25Å; M817-L821 PolarHBondContact O-N 3.15Å; K818-L821 PolarHBondContact O-N 3.23Å
822	E	87.5	Confident	85.1	Confident	133 Å²	133	64.5 Å²	64.5	62%	0.621	35%	0.353	S	S	*	.	H	α-helix	trans	-71.6	-44.8	176.3	-76.1	170.9	-172.2	0	0	112	K818 S819	K818-E822 WeakPolarHBondContact CE-OE1 3.25Å; K818-E822 IonicContact NZ-OE1 3.42Å; K818-E822 WeakPolarHBondContact O-CG 3.32Å; K818-E822 PolarHBondContact O-N 3.48Å; S819-E822 PolarHBondContact O-N 3.24Å
823	D	84.9	Confident	84.8	Confident	90 Å²	90	60.1 Å²	60.1	48%	0.481	33%	0.329	S	S	.	.			trans	-138.4	79.7	177.2	-174.1	13.7	0	0	0	112.8	S819 I820 E825 G826 F827	S819-D823 PolarHBondContact O-N 3.45Å; S819-D823 VanDerWaalsContact O-N 3.13Å; I820-D823 CarbonylContact O-C 3.59Å; D823-E825 VanDerWaalsContact C-N 3.3Å; D823-E825 PolarHBondContact O-N 3.16Å; D823-E825 PolarHBondContact OD1-N 2.68Å; D823-G826 PolarHBondContact OD1-N 3.18Å; D823-G826 WeakPolarHBondContact OD2-CA 3.26Å; D823-F827 PolarHBondContact O-N 3.13Å
824	A	81	Confident	84.3	Confident	23 Å²	23	61.5 Å²	61.5	19%	0.19	34%	0.339	C	S	.	.	H	α-helix	trans	-67.3	-28.8	179.2	0	0	0	0	0	113	L427 I820 F828	L427-A824 HydrophobicContact CD1-CB 4Å; L427-A824 HydrophobicContact CD2-CB 3.77Å; I820-A824 VanDerWaalsContact O-CA 3.22Å; I820-A824 WeakPolarHBondContact O-CA 3.26Å; I820-A824 WeakPolarHBondContact O-CB 3.45Å; I820-A824 PolarHBondContact O-N 3.25Å; I820-A824 VanDerWaalsContact O-N 3.08Å; A824-F828 VanDerWaalsContact O-CD2 3.24Å; A824-F828 WeakPolarHBondContact O-CD2 3.36Å
825	E	77.3	Confident	84	Confident	103 Å²	103	61.2 Å²	61.2	48%	0.481	33%	0.327	S	S	.	.	H	α-helix	trans	-77.8	-45.9	-179.4	-78.4	-177.8	162.7	0	0	111.5	K431 D823 F827 F828 D829	K431-E825 WeakPolarHBondContact CE-OE1 3.48Å; K431-E825 IonicContact NZ-OE1 3.36Å; K431-E825 PolarHBondContact NZ-OE1 3.39Å; K431-E825 IonicContact NZ-OE2 3.69Å; K431-E825 PolarHBondContact NZ-OE2 2.98Å; D823-E825 VanDerWaalsContact C-N 3.3Å; D823-E825 PolarHBondContact O-N 3.16Å; D823-E825 PolarHBondContact OD1-N 2.68Å; E825-F827 PolarHBondContact O-N 2.72Å; E825-F828 PolarHBondContact O-N 2.96Å; E825-D829 PolarHBondContact O-N 3.37Å
826	G	81.2	Confident	83.7	Confident	26 Å²	26	54.5 Å²	54.5	27%	0.268	30%	0.299	S	S	.	.	H	α-helix	trans	-61.3	-32	175	0	0	0	0	0	112.9	D823 D829 S830	D823-G826 PolarHBondContact OD1-N 3.18Å; D823-G826 WeakPolarHBondContact OD2-CA 3.26Å; G826-D829 PolarHBondContact O-N 3.44Å; G826-S830 WeakPolarHBondContact O-CB 3.43Å; G826-S830 PolarHBondContact O-N 2.82Å; G826-S830 VanDerWaalsContact O-N 3.09Å; G826-S830 PolarHBondContact O-OG 2.97Å
827	F	83.7	Confident	82.9	Confident	27 Å²	27	56.3 Å²	56.3	12%	0.118	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-48.5	173.1	180	-108.4	0	0	0	112.4	I820 D823 E825 S830 G832 W833 F835	I820-F827 HydrophobicContact CD1-CD2 4.39Å; I820-F827 HydrophobicContact CD1-CE1 4.12Å; I820-F827 HydrophobicContact CD1-CE2 4Å; I820-F827 HydrophobicContact CD1-CZ 3.85Å; I820-F827 HydrophobicContact CG1-CD1 4.2Å; I820-F827 HydrophobicContact CG1-CD2 3.84Å; I820-F827 HydrophobicContact CG1-CE1 4.3Å; I820-F827 HydrophobicContact CG1-CE2 3.95Å; I820-F827 HydrophobicContact CG1-CG 3.96Å; I820-F827 HydrophobicContact CG1-CZ 4.18Å; I820-F827 HydrophobicContact CG2-CD1 4.31Å; D823-F827 PolarHBondContact O-N 3.13Å; E825-F827 PolarHBondContact O-N 2.72Å; F827-S830 PolarHBondContact O-N 3.37Å; F827-S830 PolarHBondContact O-OG 3.02Å; F827-G832 WeakPolarHBondContact CE2-O 3.46Å; F827-G832 VanDerWaalsContact CZ-O 3.27Å; F827-G832 WeakPolarHBondContact CZ-O 3.28Å; F827-G832 WeakPolarHBondContact O-CA 3.42Å; F827-G832 PolarHBondContact O-N 3.07Å; F827-W833 HydrophobicContact CE1-CD2 4.05Å; F827-W833 AromaticContact CE1-CE2 3.88Å; F827-W833 HydrophobicContact CE1-CG 4.32Å; F827-W833 HydrophobicContact CE1-CZ2 4.3Å; F827-W833 AromaticContact CE1-NE1 3.98Å; F827-W833 AromaticContact CZ-CD2 3.75Å; F827-W833 HydrophobicContact CZ-CD2 3.75Å; F827-W833 AromaticContact CZ-CE2 3.98Å; F827-W833 AromaticContact CZ-CE3 3.88Å; F827-W833 HydrophobicContact CZ-CE3 3.88Å; F827-W833 HydrophobicContact CZ-CG 4.21Å; F827-W833 HydrophobicContact CZ-CH2 4.46Å; F827-W833 HydrophobicContact CZ-CZ2 4.34Å; F827-W833 HydrophobicContact CZ-CZ3 4.24Å; F827-F835 HydrophobicContact CE2-CD1 4.18Å; F827-F835 AromaticContact CE2-CE1 3.9Å; F827-F835 HydrophobicContact CE2-CE1 3.9Å; F827-F835 HydrophobicContact CZ-CD1 4.48Å; F827-F835 HydrophobicContact CZ-CE1 4.06Å
828	F	81.2	Confident	81.4	Confident	19 Å²	19	62.7 Å²	62.7	8%	0.083	34%	0.339	C	S	.	.	H	α-helix	trans	-75	-27.7	-180	-77.1	-70.8	0	0	0	113.7	N420 A423 L427 Y775 A824 E825 S830 G831	N420-F828 HydrophobicContact CB-CD1 4.48Å; A423-F828 HydrophobicContact CB-CD1 4.47Å; A423-F828 HydrophobicContact CB-CE1 3.59Å; A423-F828 HydrophobicContact CB-CE2 4.07Å; A423-F828 HydrophobicContact CB-CZ 3.37Å; L427-F828 HydrophobicContact CD1-CD2 3.5Å; L427-F828 HydrophobicContact CD1-CE2 3.35Å; L427-F828 HydrophobicContact CD1-CZ 4.5Å; Y775-F828 HydrophobicContact CE2-CE2 4.17Å; Y775-F828 HydrophobicContact CE2-CZ 4.31Å; Y775-F828 WeakPolarHBondContact OH-CZ 3.23Å; A824-F828 VanDerWaalsContact O-CD2 3.24Å; A824-F828 WeakPolarHBondContact O-CD2 3.36Å; E825-F828 PolarHBondContact O-N 2.96Å; F828-S830 VanDerWaalsContact C-N 3.32Å; F828-G831 PolarHBondContact O-N 2.84Å
829	D	79.9	Confident	79.2	Confident	105 Å²	105	63.1 Å²	63.1	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-73.7	-23.4	175.5	-74.5	-21	0	0	0	112.9	R424 E825 G826 G831	R424-D829 IonicContact CZ-OD1 2.74Å; R424-D829 VanDerWaalsContact CZ-OD1 3.23Å; R424-D829 IonicContact NH1-OD1 3.37Å; R424-D829 PolarHBondContact NH1-OD1 2.97Å; R424-D829 IonicContact NH2-OD1 2.79Å; R424-D829 PolarHBondContact NH2-OD1 2.72Å; R424-D829 IonicContact NH2-OD2 3.84Å; E825-D829 PolarHBondContact O-N 3.37Å; G826-D829 PolarHBondContact O-N 3.44Å; D829-G831 VanDerWaalsContact C-N 3.3Å; D829-G831 PolarHBondContact O-N 2.97Å
830	S	77.8	Confident	76.8	Confident	92 Å²	92	69 Å²	69	64%	0.643	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	7.4	175.2	53.9	0	0	0	0	114.5	G826 F827 F828	G826-S830 WeakPolarHBondContact O-CB 3.43Å; G826-S830 PolarHBondContact O-N 2.82Å; G826-S830 VanDerWaalsContact O-N 3.09Å; G826-S830 PolarHBondContact O-OG 2.97Å; F827-S830 PolarHBondContact O-N 3.37Å; F827-S830 PolarHBondContact O-OG 3.02Å; F828-S830 VanDerWaalsContact C-N 3.32Å
831	G	75.8	Confident	74.1	Confident	23 Å²	23	71.8 Å²	71.8	24%	0.237	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.1	5	-178.8	0	0	0	0	0	114.2	F828 D829 W833 D834	F828-G831 PolarHBondContact O-N 2.84Å; D829-G831 VanDerWaalsContact C-N 3.3Å; D829-G831 PolarHBondContact O-N 2.97Å; G831-W833 PolarHBondContact O-N 3.31Å; G831-D834 WeakPolarHBondContact O-CB 3.49Å; G831-D834 PolarHBondContact O-N 2.82Å
832	G	83	Confident	71.3	Confident	4 Å²	4	72 Å²	72	4%	0.041	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	56	-122.6	174.2	0	0	0	0	0	111.7	F827 D834 F835	F827-G832 WeakPolarHBondContact CE2-O 3.46Å; F827-G832 VanDerWaalsContact CZ-O 3.27Å; F827-G832 WeakPolarHBondContact CZ-O 3.28Å; F827-G832 WeakPolarHBondContact O-CA 3.42Å; F827-G832 PolarHBondContact O-N 3.07Å; G832-D834 VanDerWaalsContact C-N 3.25Å; G832-D834 PolarHBondContact O-N 2.82Å; G832-F835 WeakPolarHBondContact O-CD1 3.42Å
833	W	85.2	Confident	68.5	Low	6 Å²	6	73.7 Å²	73.7	2%	0.023	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-78.9	-0.2	-177.7	-64.6	108.8	0	0	0	115.1	L419 L753 I771 Y775 W813 I820 F827 G831 F835 L836	L419-W833 VanDerWaalsContact CD2-CD1 3.44Å; L753-W833 HydrophobicContact CD2-CB 3.73Å; L753-W833 HydrophobicContact CD2-CD2 3.24Å; L753-W833 HydrophobicContact CD2-CE3 3.69Å; L753-W833 HydrophobicContact CD2-CG 3.26Å; L753-W833 HydrophobicContact CD2-CZ2 4.33Å; L753-W833 HydrophobicContact CD2-CZ3 4.39Å; I771-W833 HydrophobicContact CD1-CH2 4.23Å; I771-W833 HydrophobicContact CD1-CZ3 4.15Å; I771-W833 HydrophobicContact CG1-CH2 4.5Å; I771-W833 HydrophobicContact CG2-CH2 3.79Å; I771-W833 HydrophobicContact CG2-CZ2 3.8Å; Y775-W833 AromaticContact CE1-CZ2 3.99Å; Y775-W833 HydrophobicContact CE1-CZ2 3.99Å; Y775-W833 PolarHBondContact OH-NE1 3.18Å; W813-W833 HydrophobicContact CZ3-CZ3 4.14Å; I820-W833 HydrophobicContact CD1-CH2 3.62Å; I820-W833 HydrophobicContact CD1-CZ2 4.02Å; I820-W833 HydrophobicContact CD1-CZ3 4.2Å; F827-W833 HydrophobicContact CE1-CD2 4.05Å; F827-W833 AromaticContact CE1-CE2 3.88Å; F827-W833 HydrophobicContact CE1-CG 4.32Å; F827-W833 HydrophobicContact CE1-CZ2 4.3Å; F827-W833 AromaticContact CE1-NE1 3.98Å; F827-W833 AromaticContact CZ-CD2 3.75Å; F827-W833 HydrophobicContact CZ-CD2 3.75Å; F827-W833 AromaticContact CZ-CE2 3.98Å; F827-W833 AromaticContact CZ-CE3 3.88Å; F827-W833 HydrophobicContact CZ-CE3 3.88Å; F827-W833 HydrophobicContact CZ-CG 4.21Å; F827-W833 HydrophobicContact CZ-CH2 4.46Å; F827-W833 HydrophobicContact CZ-CZ2 4.34Å; F827-W833 HydrophobicContact CZ-CZ3 4.24Å; G831-W833 PolarHBondContact O-N 3.31Å; W833-F835 AromaticContact CE3-CE1 3.75Å; W833-F835 HydrophobicContact CE3-CE1 3.75Å; W833-F835 HydrophobicContact CE3-CZ 4.32Å; W833-F835 HydrophobicContact CZ3-CE1 4.08Å; W833-F835 HydrophobicContact CZ3-CZ 4.32Å; W833-F835 PolarHBondContact O-N 3.39Å; W833-F835 VanDerWaalsContact O-N 3.13Å; W833-L836 HydrophobicContact CE3-CD1 3.63Å; W833-L836 HydrophobicContact CE3-CG 4.36Å; W833-L836 HydrophobicContact CZ3-CD1 4.16Å; W833-L836 WeakPolarHBondContact O-CB 3.41Å; W833-L836 PolarHBondContact O-N 2.71Å; W833-L836 VanDerWaalsContact O-N 3.1Å
834	D	82	Confident	65.9	Low	51 Å²	51	77.8 Å²	77.8	27%	0.273	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-61.3	-24.6	-179.2	-70.8	1.9	0	0	0	112.7	G831 G832 L836 T837 K838	G831-D834 WeakPolarHBondContact O-CB 3.49Å; G831-D834 PolarHBondContact O-N 2.82Å; G832-D834 VanDerWaalsContact C-N 3.25Å; G832-D834 PolarHBondContact O-N 2.82Å; D834-L836 PolarHBondContact O-N 2.87Å; D834-L836 VanDerWaalsContact O-N 3.15Å; D834-T837 PolarHBondContact O-N 3.09Å; D834-T837 PolarHBondContact O-OG1 2.82Å; D834-K838 PolarHBondContact O-N 2.97Å
835	F	84.7	Confident	63.3	Low	90 Å²	90	86.5 Å²	86.5	40%	0.395	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-59.5	-25.1	177	83.8	-87.7	0	0	0	112.9	I816 F827 G832 W833 T837	I816-F835 HydrophobicContact CG2-CZ 4.32Å; F827-F835 HydrophobicContact CE2-CD1 4.18Å; F827-F835 AromaticContact CE2-CE1 3.9Å; F827-F835 HydrophobicContact CE2-CE1 3.9Å; F827-F835 HydrophobicContact CZ-CD1 4.48Å; F827-F835 HydrophobicContact CZ-CE1 4.06Å; G832-F835 WeakPolarHBondContact O-CD1 3.42Å; W833-F835 AromaticContact CE3-CE1 3.75Å; W833-F835 HydrophobicContact CE3-CE1 3.75Å; W833-F835 HydrophobicContact CE3-CZ 4.32Å; W833-F835 HydrophobicContact CZ3-CE1 4.08Å; W833-F835 HydrophobicContact CZ3-CZ 4.32Å; W833-F835 PolarHBondContact O-N 3.39Å; W833-F835 VanDerWaalsContact O-N 3.13Å; F835-T837 VanDerWaalsContact C-N 3.27Å; F835-T837 PolarHBondContact O-N 2.93Å
836	L	83.4	Confident	61.2	Low	15 Å²	15	85.9 Å²	85.9	8%	0.079	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-75.5	-15.3	176.5	-64	175.8	0	0	0	113.3	L753 L811 W813 W833 D834	L753-L836 HydrophobicContact CD1-CD1 3.87Å; L753-L836 HydrophobicContact CD2-CD1 4.43Å; L811-L836 HydrophobicContact CD1-CD2 3.45Å; L811-L836 VanDerWaalsContact CD1-CD2 3.45Å; W813-L836 HydrophobicContact CH2-CD1 4.36Å; W813-L836 HydrophobicContact CH2-CD2 4.22Å; W833-L836 HydrophobicContact CE3-CD1 3.63Å; W833-L836 HydrophobicContact CE3-CG 4.36Å; W833-L836 HydrophobicContact CZ3-CD1 4.16Å; W833-L836 WeakPolarHBondContact O-CB 3.41Å; W833-L836 PolarHBondContact O-N 2.71Å; W833-L836 VanDerWaalsContact O-N 3.1Å; D834-L836 PolarHBondContact O-N 2.87Å; D834-L836 VanDerWaalsContact O-N 3.15Å
837	T	71.4	Confident	58.6	Low	71 Å²	71	94.2 Å²	94.2	44%	0.436	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-16	-177.5	64.4	0	0	0	0	113.3	I416 D834 F835 D839	I416-T837 HydrophobicContact CD1-CG2 4.08Å; D834-T837 PolarHBondContact O-N 3.09Å; D834-T837 PolarHBondContact O-OG1 2.82Å; F835-T837 VanDerWaalsContact C-N 3.27Å; F835-T837 PolarHBondContact O-N 2.93Å; T837-D839 PolarHBondContact O-N 3.12Å; T837-D839 VanDerWaalsContact O-N 3.17Å
838	K	58.8	Low	56.1	Low	145 Å²	145	97.1 Å²	97.1	63%	0.63	55%	0.546	S	S	*	.	S	Bend	trans	-81.2	97.3	176.8	-72.5	179.4	-179	172.1	0	108.3	D834 E840	D834-K838 PolarHBondContact O-N 2.97Å; K838-E840 PolarHBondContact O-N 3.21Å; K838-E840 VanDerWaalsContact O-N 3.14Å
839	D	43	Very low	53.6	Low	131 Å²	131	105.6 Å²	105.6	70%	0.701	59%	0.586	S	S	*	*			trans	-52.2	117.2	166.3	-81.9	-37.8	0	0	0	109.2	T837 G841	T837-D839 PolarHBondContact O-N 3.12Å; T837-D839 VanDerWaalsContact O-N 3.17Å; D839-G841 PolarHBondContact O-N 3.44Å
840	E	37.3	Very low	51.2	Low	197 Å²	197	104.5 Å²	104.5	92%	0.921	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	56.9	160.7	-67.4	-172.2	157.6	0	0	109.8	K838	K838-E840 PolarHBondContact O-N 3.21Å; K838-E840 VanDerWaalsContact O-N 3.14Å
841	G	30.8	Very low	48.9	Very low	61 Å²	61	105.9 Å²	105.9	63%	0.629	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150	5.5	-171.2	0	0	0	0	0	115.9	D839	D839-G841 PolarHBondContact O-N 3.44Å
842	S	27.8	Very low	46.8	Very low	101 Å²	101	110.5 Å²	110.5	71%	0.706	64%	0.637	S	S	*	*			trans	-93	105.2	167.5	62.8	0	0	0	0	110.6	E844	S842-E844 PolarHBondContact O-N 3.36Å
843	D	27.5	Very low	44.4	Very low	168 Å²	168	113.8 Å²	113.8	90%	0.898	67%	0.671	S	S	*	*			trans	-49	97.6	160.3	-69.3	-42.1	0	0	0	110.5
844	E	30.9	Very low	41.8	Very low	175 Å²	175	120.5 Å²	120.5	82%	0.818	71%	0.707	S	S	*	*			trans	-133.5	104.3	157.8	-75.4	-164.5	173.9	0	0	110	S842 A846	S842-E844 PolarHBondContact O-N 3.36Å; E844-A846 PolarHBondContact O-N 3.16Å; E844-A846 VanDerWaalsContact O-N 3.16Å
845	E	26.9	Very low	39.4	Very low	206 Å²	206	125.1 Å²	125.1	96%	0.963	73%	0.732	S	S	*	*			trans	-48.7	110.7	158.4	-62.8	176.2	159	0	0	109.7
846	A	32.4	Very low	36.9	Very low	91 Å²	91	128.5 Å²	128.5	75%	0.752	75%	0.749	S	S	*	*			trans	-140.2	86.1	162.3	0	0	0	0	0	109.6	E844 A848	E844-A846 PolarHBondContact O-N 3.16Å; E844-A846 VanDerWaalsContact O-N 3.16Å; A846-A848 PolarHBondContact O-N 3.2Å
847	E	26.6	Very low	34.3	Very low	200 Å²	200	135.9 Å²	135.9	94%	0.935	79%	0.788	S	S	*	*			trans	-56.5	119.7	152.6	-64.7	-167.7	160.9	0	0	109.1
848	A	31.4	Very low	32.2	Very low	89 Å²	89	141.1 Å²	141.1	74%	0.736	81%	0.805	S	S	*	*			trans	-166.1	99.3	149.6	0	0	0	0	0	111.3	A846	A846-A848 PolarHBondContact O-N 3.2Å
849	E	29.9	Very low	30.7	Very low	197 Å²	197	141 Å²	141	92%	0.921	81%	0.812	S	S	*	*				59.5	121.2	129.4	-55.7	-126.8	152.1	0	0	119.8
850	G	28.8	Very low	30.1	Very low	81 Å²	81	139.1 Å²	139.1	84%	0.835	81%	0.805	S	S	*	*			trans	-66.3	157.2	179.3	0	0	0	0	0	114.8
851	S	29.4	Very low	29.6	Very low	122 Å²	122	136.4 Å²	136.4	85%	0.853	80%	0.797	S	S	*	*			trans	-139.9	115.4	148.3	-170.5	0	0	0	0	108.4
852	S	32.5	Very low	29.4	Very low	119 Å²	119	141.3 Å²	141.3	83%	0.832	80%	0.803	S	S	*	*			trans	-71.2	127.8	170.4	103.9	0	0	0	0	108.4
853	G	32.3	Very low	29.4	Very low	73 Å²	73	144.1 Å²	144.1	75%	0.753	81%	0.805	S	S	*	*			trans	-147.9	115.4	166.3	0	0	0	0	0	107.4
854	D	30.3	Very low	29.4	Very low	147 Å²	147	145.4 Å²	145.4	79%	0.786	81%	0.806	S	S	*	*			trans	-48.3	159.5	174	-72.8	-51.2	0	0	0	112.7
855	D	32.1	Very low	29.2	Very low	149 Å²	149	146.1 Å²	146.1	80%	0.797	81%	0.809	S	S	*	*			trans	143.8	133.4	142.4	-66.7	-18.7	0	0	0	109.8
856	E	30.6	Very low	29.1	Very low	161 Å²	161	140.7 Å²	140.7	75%	0.752	79%	0.794	S	S	*	*			cis	-159.2	144.1	-14.5	-100.1	-177.1	169.4	0	0	103.6	F858	E856-F858 PolarHBondContact O-N 3.38Å; E856-F858 VanDerWaalsContact O-N 3.07Å
857	D	29.8	Very low	28.9	Very low	169 Å²	169	141.2 Å²	141.2	90%	0.904	79%	0.792	S	S	*	*			trans	-55.7	110.9	170.7	-84.1	-46.1	0	0	0	110
858	F	28.1	Very low	29	Very low	181 Å²	181	138.1 Å²	138.1	79%	0.794	78%	0.778	S	S	*	*			trans	-124.4	86.8	159.4	-120.1	-96.9	0	0	0	109.8	E856 V860	E856-F858 PolarHBondContact O-N 3.38Å; E856-F858 VanDerWaalsContact O-N 3.07Å; F858-V860 HydrophobicContact CD1-CG2 3.76Å; F858-V860 HydrophobicContact CE1-CG2 4.15Å; F858-V860 PolarHBondContact O-N 2.87Å
859	N	26.9	Very low	28.9	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	78%	0.781	S	S	*	*			trans	-78.6	101	166.2	-164.7	44.7	0	0	0	107.4
860	V	28.9	Very low	28.9	Very low	93 Å²	93	138.8 Å²	138.8	56%	0.564	77%	0.77	S	S	*	*			trans	-110.5	116.2	161.1	-180	0	0	0	0	106.2	F858 E862	F858-V860 HydrophobicContact CD1-CG2 3.76Å; F858-V860 HydrophobicContact CE1-CG2 4.15Å; F858-V860 PolarHBondContact O-N 2.87Å; V860-E862 PolarHBondContact O-N 2.95Å
861	D	27.2	Very low	29	Very low	139 Å²	139	139.6 Å²	139.6	74%	0.743	76%	0.763	S	S	*	*			trans	-53.8	99.6	172.7	-58.6	-64	0	0	0	109.4
862	E	27.7	Very low	29	Very low	165 Å²	165	140.1 Å²	140.1	77%	0.771	76%	0.756	S	S	*	*			trans	-99.5	108.9	171.4	-77.3	-164.9	168.7	0	0	110	V860	V860-E862 PolarHBondContact O-N 2.95Å
863	E	27.8	Very low	28.9	Very low	159 Å²	159	140.9 Å²	140.9	74%	0.743	75%	0.746	S	S	*	*			trans	-51.7	130.3	175.9	-60.1	179.4	152.3	0	0	110.9	E865	E863-E865 VanDerWaalsContact C-N 3.35Å; E863-E865 PolarHBondContact O-N 3.21Å
864	E	25.9	Very low	29	Very low	196 Å²	196	144.2 Å²	144.2	92%	0.916	75%	0.747	S	S	*	*			trans	-59.4	95	168.9	-68.5	-175.9	168.4	0	0	109.5	S866	E864-S866 PolarHBondContact O-N 2.85Å
865	E	26.8	Very low	29.1	Very low	190 Å²	190	146.7 Å²	146.7	89%	0.888	75%	0.747	S	S	*	*			trans	-65.4	91.2	158.4	-80.4	-160.4	159.9	0	0	108	E863 S867	E863-E865 VanDerWaalsContact C-N 3.35Å; E863-E865 PolarHBondContact O-N 3.21Å; E865-S867 VanDerWaalsContact C-N 3.34Å; E865-S867 PolarHBondContact O-N 3.17Å
866	S	25.8	Very low	29.1	Very low	92 Å²	92	147.2 Å²	147.2	64%	0.643	74%	0.744	S	S	*	*			trans	-53.5	94.2	164.3	163.2	0	0	0	0	109.4	E864 E868	E864-S866 PolarHBondContact O-N 2.85Å; S866-E868 VanDerWaalsContact C-N 3.26Å; S866-E868 PolarHBondContact O-N 3.46Å
867	S	27.1	Very low	29	Very low	102 Å²	102	144 Å²	144	71%	0.713	74%	0.739	S	S	*	*			trans	-64.7	91.5	160.5	56.3	0	0	0	0	108	E865 E869	E865-S867 VanDerWaalsContact C-N 3.34Å; E865-S867 PolarHBondContact O-N 3.17Å; S867-E869 VanDerWaalsContact C-N 3.27Å; S867-E869 PolarHBondContact O-N 3.33Å
868	E	28.8	Very low	29.2	Very low	134 Å²	134	141.9 Å²	141.9	63%	0.626	73%	0.732	S	S	*	*			trans	-64	92.2	163.6	-68.9	-176.8	164.8	0	0	106.6	R500 S866 D870	R500-E868 IonicContact NH1-OE1 2.75Å; R500-E868 IonicContact NH1-OE2 3.78Å; S866-E868 VanDerWaalsContact C-N 3.26Å; S866-E868 PolarHBondContact O-N 3.46Å; E868-D870 PolarHBondContact O-N 2.61Å; E868-D870 VanDerWaalsContact O-N 3.1Å
869	E	29.7	Very low	29.2	Very low	173 Å²	173	141.9 Å²	141.9	81%	0.808	74%	0.737	S	S	*	*			trans	-68	100.4	160.1	-73.9	-170	163.9	0	0	107.1	S867 S871	S867-E869 VanDerWaalsContact C-N 3.27Å; S867-E869 PolarHBondContact O-N 3.33Å; E869-S871 VanDerWaalsContact C-N 3.33Å; E869-S871 PolarHBondContact O-N 2.82Å
870	D	31.4	Very low	29.4	Very low	128 Å²	128	140.2 Å²	140.2	68%	0.684	74%	0.736	S	S	*	*			trans	-58	94.1	169.1	-91.4	-35.8	0	0	0	108.9	E868 D872	E868-D870 PolarHBondContact O-N 2.61Å; E868-D870 VanDerWaalsContact O-N 3.1Å; D870-D872 PolarHBondContact O-N 3.37Å
871	S	29.1	Very low	29.4	Very low	98 Å²	98	141.1 Å²	141.1	69%	0.685	75%	0.747	S	S	*	*			trans	-71.4	85	160.2	175.6	0	0	0	0	108.1	E869 E873	E869-S871 VanDerWaalsContact C-N 3.33Å; E869-S871 PolarHBondContact O-N 2.82Å; S871-E873 VanDerWaalsContact C-N 3.26Å; S871-E873 PolarHBondContact O-N 3.25Å
872	D	30.8	Very low	29.6	Very low	132 Å²	132	143.2 Å²	143.2	71%	0.706	75%	0.752	S	S	*	*			trans	-63.3	83.8	168.9	-79	-24.5	0	0	0	110.1	D870 D874	D870-D872 PolarHBondContact O-N 3.37Å; D872-D874 PolarHBondContact O-N 3.42Å
873	E	30.2	Very low	29.7	Very low	136 Å²	136	141.2 Å²	141.2	64%	0.636	76%	0.756	S	S	*	*			trans	-83.4	96.4	156.9	-72.7	-170.8	173.1	0	0	108.2	S871 Y875	S871-E873 VanDerWaalsContact C-N 3.26Å; S871-E873 PolarHBondContact O-N 3.25Å; E873-Y875 HydrophobicContact CB-CD2 4.48Å; E873-Y875 HydrophobicContact CB-CE2 4.3Å; E873-Y875 WeakPolarHBondContact O-CD2 3.48Å; E873-Y875 PolarHBondContact O-N 2.87Å
874	D	33.7	Very low	29.8	Very low	142 Å²	142	136.5 Å²	136.5	76%	0.759	75%	0.751	S	S	*	*			trans	-56.4	91.8	170.6	-82.1	-39.9	0	0	0	110.9	D872 E876	D872-D874 PolarHBondContact O-N 3.42Å; D874-E876 VanDerWaalsContact C-N 3.33Å; D874-E876 PolarHBondContact O-N 2.86Å; D874-E876 VanDerWaalsContact O-N 3.12Å
875	Y	33.5	Very low	29.8	Very low	200 Å²	200	133.4 Å²	133.4	78%	0.784	75%	0.745	S	S	*	*			trans	-76.3	85.5	161	-80.7	-92.4	0	0	0	109	E873 S877	E873-Y875 HydrophobicContact CB-CD2 4.48Å; E873-Y875 HydrophobicContact CB-CE2 4.3Å; E873-Y875 WeakPolarHBondContact O-CD2 3.48Å; E873-Y875 PolarHBondContact O-N 2.87Å; Y875-S877 VanDerWaalsContact C-N 3.3Å; Y875-S877 PolarHBondContact O-N 3.21Å
876	E	31.1	Very low	29.8	Very low	160 Å²	160	134.7 Å²	134.7	75%	0.748	74%	0.742	S	S	*	*			trans	-67.3	90.4	160	-89.9	-110.3	162	0	0	108.8	D874 V878	D874-E876 VanDerWaalsContact C-N 3.33Å; D874-E876 PolarHBondContact O-N 2.86Å; D874-E876 VanDerWaalsContact O-N 3.12Å; E876-V878 PolarHBondContact O-N 3.37Å
877	S	29.6	Very low	29.7	Very low	92 Å²	92	138.1 Å²	138.1	64%	0.643	75%	0.752	S	S	*	*			trans	-75.4	97.7	168.8	66.2	0	0	0	0	109.4	Y875 M879	Y875-S877 VanDerWaalsContact C-N 3.3Å; Y875-S877 PolarHBondContact O-N 3.21Å; S877-M879 VanDerWaalsContact C-N 3.31Å; S877-M879 PolarHBondContact O-N 3.21Å
878	V	32.7	Very low	29.7	Very low	126 Å²	126	140.9 Å²	140.9	76%	0.764	75%	0.751	S	S	*	*			trans	-73.1	89.6	167.1	-148.9	0	0	0	0	107.9	E876 S880	E876-V878 PolarHBondContact O-N 3.37Å; V878-S880 PolarHBondContact O-N 2.99Å; V878-S880 VanDerWaalsContact O-N 3.16Å
879	M	27.7	Very low	29.5	Very low	181 Å²	181	141.6 Å²	141.6	89%	0.892	76%	0.759	S	S	*	*			trans	-69.5	100.8	162.9	-78.9	-73.8	-155.2	0	0	107.9	S877	S877-M879 VanDerWaalsContact C-N 3.31Å; S877-M879 PolarHBondContact O-N 3.21Å
880	S	32.4	Very low	29.5	Very low	107 Å²	107	143.5 Å²	143.5	75%	0.748	76%	0.759	S	S	*	*			trans	-113.7	106.2	157.1	-178.8	0	0	0	0	107.9	V878	V878-S880 PolarHBondContact O-N 2.99Å; V878-S880 VanDerWaalsContact O-N 3.16Å
881	S	29.3	Very low	29.2	Very low	111 Å²	111	141.8 Å²	141.8	78%	0.776	76%	0.762	S	S	*	*			trans	-67.3	117.9	169.7	50.3	0	0	0	0	110.9
882	E	30.6	Very low	29.3	Very low	183 Å²	183	145.8 Å²	145.8	86%	0.855	77%	0.77	S	S	*	*			trans	-164.6	102.1	146.9	-108	173.7	-175.1	0	0	106.2
883	S	30.1	Very low	29.3	Very low	124 Å²	124	145 Å²	145	87%	0.867	78%	0.775	S	S	*	*				66.3	113.1	96.7	-174.1	0	0	0	0	113
884	G	29.1	Very low	29.6	Very low	60 Å²	60	141.9 Å²	141.9	62%	0.619	78%	0.779	S	S	*	*			trans	115.5	90.6	149.1	0	0	0	0	0	117.3
885	T	25.7	Very low	30	Very low	131 Å²	131	140.3 Å²	140.3	80%	0.804	77%	0.766	S	S	*	*				70.8	127.1	127.9	24.3	0	0	0	0	121.9
886	R	26.7	Very low	30.6	Very low	216 Å²	216	133.7 Å²	133.7	82%	0.815	75%	0.749	S	S	*	*			trans	88.2	92.6	141.5	-75.4	175.7	169.3	171.8	-3.4	118.7	F888	R886-F888 PolarHBondContact O-N 3.38Å
887	L	24.7	Very low	31.1	Very low	164 Å²	164	135.3 Å²	135.3	86%	0.859	75%	0.748	S	S	*	*				-13.3	113.3	123.3	-99.7	122.5	0	0	0	113.2
888	F	26.7	Very low	32.7	Very low	160 Å²	160	134.5 Å²	134.5	70%	0.702	74%	0.742	S	S	*	*			trans	-140.4	107.7	153.6	-118.7	-88.9	0	0	0	109	R886 W890	R886-F888 PolarHBondContact O-N 3.38Å; F888-W890 AromaticContact CD1-CD1 3.97Å; F888-W890 AromaticContact CD1-CE2 3.87Å; F888-W890 HydrophobicContact CD1-CZ2 4.37Å; F888-W890 AromaticContact CD1-NE1 3.43Å; F888-W890 HydrophobicContact CE1-CZ2 4.25Å; F888-W890 AromaticContact CE1-NE1 3.47Å
889	L	24.7	Very low	34.3	Very low	149 Å²	149	133.2 Å²	133.2	78%	0.78	73%	0.728	S	S	*	*			trans	-64.3	120.2	160.9	-125.4	116.2	0	0	0	107
890	W	30.1	Very low	36	Very low	213 Å²	213	128.7 Å²	128.7	81%	0.807	71%	0.707	S	S	*	*			trans	-131.4	103	153.2	-78.7	-16.3	0	0	0	109.1	F888	F888-W890 AromaticContact CD1-CD1 3.97Å; F888-W890 AromaticContact CD1-CE2 3.87Å; F888-W890 HydrophobicContact CD1-CZ2 4.37Å; F888-W890 AromaticContact CD1-NE1 3.43Å; F888-W890 HydrophobicContact CE1-CZ2 4.25Å; F888-W890 AromaticContact CE1-NE1 3.47Å
891	A	25.4	Very low	37.4	Very low	92 Å²	92	129.9 Å²	129.9	76%	0.76	70%	0.701	S	S	*	*			trans	-73.3	115.7	147.3	0	0	0	0	0	106.5
892	E	29.9	Very low	39.4	Very low	182 Å²	182	129.2 Å²	129.2	85%	0.85	69%	0.685	S	S	*	*			trans	-151.1	120.3	155.2	-119	169.9	-164.6	0	0	109.6	G894	E892-G894 PolarHBondContact O-N 3.39Å
893	S	30.8	Very low	41	Very low	116 Å²	116	125.5 Å²	125.5	81%	0.811	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-55.3	116.9	179.6	168.4	0	0	0	0	110.7	K895	S893-K895 PolarHBondContact O-N 3Å
894	G	36.5	Very low	42.5	Very low	70 Å²	70	124.9 Å²	124.9	72%	0.722	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-60.9	124.5	167.4	0	0	0	0	0	110.1	E892	E892-G894 PolarHBondContact O-N 3.39Å
895	K	43.8	Very low	44	Very low	109 Å²	109	131.8 Å²	131.8	47%	0.474	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-52.4	138.9	175.3	-68.6	-172.8	177.9	168	0	110.8	S893 E899 E903	S893-K895 PolarHBondContact O-N 3Å; K895-E899 WeakPolarHBondContact CA-OE2 3.5Å; K895-E899 HydrophobicContact CB-CB 4.05Å; K895-E899 WeakPolarHBondContact CB-OE2 3.33Å; K895-E899 HydrophobicContact CD-CB 4.25Å; K895-E899 HydrophobicContact CG-CB 4.48Å; K895-E899 WeakPolarHBondContact CG-OE2 3.48Å; K895-E903 IonicContact NZ-OE1 3.76Å; K895-E903 PolarHBondContact NZ-OE1 2.97Å; K895-E903 IonicContact NZ-OE2 3.89Å; K895-E903 PolarHBondContact NZ-OE2 2.82Å
896	S	45.2	Very low	45.6	Very low	62 Å²	62	132.2 Å²	132.2	43%	0.434	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-68.9	154.5	174	59.4	0	0	0	0	110.6	S898 E899 L900	S896-S898 PolarHBondContact O-N 2.86Å; S896-S898 PolarHBondContact OG-OG 3.12Å; S896-E899 WeakPolarHBondContact O-CB 3.34Å; S896-E899 PolarHBondContact O-N 2.92Å; S896-L900 PolarHBondContact O-N 2.94Å
897	W	41.8	Very low	46.1	Very low	194 Å²	194	125.3 Å²	125.3	74%	0.735	66%	0.655	S	S	*	*	H	α-helix	trans	-51.2	-31.2	178.2	-76.8	90.7	0	0	0	113.9	E899 L900 E901	W897-E899 PolarHBondContact O-N 3.15Å; W897-L900 PolarHBondContact O-N 2.7Å; W897-E901 PolarHBondContact O-N 2.93Å
898	S	62.1	Low	46.7	Very low	74 Å²	74	126.7 Å²	126.7	52%	0.517	66%	0.655	S	S	.	*	H	α-helix	trans	-63.9	-31.9	173.4	35.4	0	0	0	0	114.4	S896 E902	S896-S898 PolarHBondContact O-N 2.86Å; S896-S898 PolarHBondContact OG-OG 3.12Å; S898-E902 PolarHBondContact O-N 3.02Å
899	E	67.1	Low	47.6	Very low	100 Å²	100	125.1 Å²	125.1	47%	0.467	66%	0.66	S	S	.	*	H	α-helix	trans	-77.5	-31.2	173.3	-74.3	179.7	155.8	0	0	111.8	K895 S896 W897 E903	K895-E899 WeakPolarHBondContact CA-OE2 3.5Å; K895-E899 HydrophobicContact CB-CB 4.05Å; K895-E899 WeakPolarHBondContact CB-OE2 3.33Å; K895-E899 HydrophobicContact CD-CB 4.25Å; K895-E899 HydrophobicContact CG-CB 4.48Å; K895-E899 WeakPolarHBondContact CG-OE2 3.48Å; S896-E899 WeakPolarHBondContact O-CB 3.34Å; S896-E899 PolarHBondContact O-N 2.92Å; W897-E899 PolarHBondContact O-N 3.15Å; E899-E903 PolarHBondContact O-N 3.21Å; E899-E903 VanDerWaalsContact O-N 3.13Å
900	L	64.2	Low	48.1	Very low	85 Å²	85	126.5 Å²	126.5	45%	0.445	67%	0.667	S	S	.	*	H	α-helix	trans	-69.9	-39.4	173.1	-96.6	161	0	0	0	112.1	S896 W897 E903 T904	S896-L900 PolarHBondContact O-N 2.94Å; W897-L900 PolarHBondContact O-N 2.7Å; L900-E903 PolarHBondContact O-N 3.45Å; L900-T904 PolarHBondContact O-N 3.06Å; L900-T904 PolarHBondContact O-OG1 3.32Å
901	E	61.7	Low	48.7	Very low	132 Å²	132	120.8 Å²	120.8	62%	0.617	67%	0.666	S	S	*	*	H	α-helix	trans	-66.6	-36.6	175	-78.7	179.7	174.3	0	0	112.5	W897 E903 T904 R905	W897-E901 PolarHBondContact O-N 2.93Å; E901-E903 VanDerWaalsContact C-N 3.35Å; E901-T904 WeakPolarHBondContact CA-OG1 3.22Å; E901-T904 PolarHBondContact O-N 2.67Å; E901-T904 PolarHBondContact O-OG1 3.4Å; E901-R905 WeakPolarHBondContact O-CB 3.08Å; E901-R905 PolarHBondContact O-N 3.39Å
902	E	70.4	Confident	49.1	Very low	97 Å²	97	127.8 Å²	127.8	45%	0.453	69%	0.69	S	S	.	*	H	α-helix	trans	-70	-33.1	174.9	-156.5	78.2	-133.9	0	0	111.4	S898 R905 Q906	S898-E902 PolarHBondContact O-N 3.02Å; E902-R905 PolarHBondContact O-N 3.22Å; E902-R905 IonicContact OE1-NE 3.73Å; E902-R905 PolarHBondContact OE1-NE 3.42Å; E902-Q906 WeakPolarHBondContact O-CG 3.07Å; E902-Q906 PolarHBondContact O-N 2.43Å
903	E	65	Low	50.1	Low	105 Å²	105	125.1 Å²	125.1	49%	0.491	68%	0.682	S	S	.	*	H	α-helix	trans	-70.7	-36.3	173.3	-82.2	-177.4	171.3	0	0	112.8	K895 E899 L900 E901 R905 Q906	K895-E903 IonicContact NZ-OE1 3.76Å; K895-E903 PolarHBondContact NZ-OE1 2.97Å; K895-E903 IonicContact NZ-OE2 3.89Å; K895-E903 PolarHBondContact NZ-OE2 2.82Å; E899-E903 PolarHBondContact O-N 3.21Å; E899-E903 VanDerWaalsContact O-N 3.13Å; L900-E903 PolarHBondContact O-N 3.45Å; E901-E903 VanDerWaalsContact C-N 3.35Å; E903-R905 VanDerWaalsContact C-N 3.33Å; E903-Q906 CarbonylContact O-C 3.44Å; E903-Q906 PolarHBondContact O-N 3.02Å
904	T	60.3	Low	51.1	Low	112 Å²	112	125.5 Å²	125.5	69%	0.687	68%	0.675	S	S	*	*	H	α-helix	trans	-69.6	-30.2	169.7	20.8	0	0	0	0	112.5	L900 E901 Q906	L900-T904 PolarHBondContact O-N 3.06Å; L900-T904 PolarHBondContact O-OG1 3.32Å; E901-T904 WeakPolarHBondContact CA-OG1 3.22Å; E901-T904 PolarHBondContact O-N 2.67Å; E901-T904 PolarHBondContact O-OG1 3.4Å; T904-Q906 VanDerWaalsContact C-N 3.32Å
905	R	61.4	Low	51.9	Low	204 Å²	204	128.6 Å²	128.6	77%	0.77	67%	0.673	S	S	*	*	H	α-helix	trans	-70.6	-29.3	174.3	-143.6	173.5	89.2	113.8	3.7	112.5	E901 E902 E903 G907	E901-R905 WeakPolarHBondContact O-CB 3.08Å; E901-R905 PolarHBondContact O-N 3.39Å; E902-R905 PolarHBondContact O-N 3.22Å; E902-R905 IonicContact OE1-NE 3.73Å; E902-R905 PolarHBondContact OE1-NE 3.42Å; E903-R905 VanDerWaalsContact C-N 3.33Å; R905-G907 PolarHBondContact O-N 3.44Å
906	Q	58.1	Low	52.4	Low	141 Å²	141	129.8 Å²	129.8	66%	0.659	69%	0.685	S	S	*	*	S	Bend	trans	-94.4	71.7	173.3	-65.3	-167.1	23.1	0	0	110.8	E902 E903 T904 K908	E902-Q906 WeakPolarHBondContact O-CG 3.07Å; E902-Q906 PolarHBondContact O-N 2.43Å; E903-Q906 CarbonylContact O-C 3.44Å; E903-Q906 PolarHBondContact O-N 3.02Å; T904-Q906 VanDerWaalsContact C-N 3.32Å; Q906-K908 PolarHBondContact O-N 2.72Å
907	G	37.4	Very low	52.8	Low	70 Å²	70	134 Å²	134	72%	0.722	70%	0.7	S	S	*	*			trans	-46.1	109	-177.7	0	0	0	0	0	114.5	R905	R905-G907 PolarHBondContact O-N 3.44Å
908	K	37.3	Very low	53.5	Low	194 Å²	194	130 Å²	130	84%	0.843	70%	0.698	S	S	*	*			trans	-117.2	125.1	158.4	-92.1	-177.8	177	175.9	0	108.8	Q906	Q906-K908 PolarHBondContact O-N 2.72Å
909	P	46.2	Very low	52.9	Low	127 Å²	127	134 Å²	134	83%	0.825	71%	0.711	S	S	*	*			trans	-71.6	131.8	179	28.1	-31	0	0	0	110.9
910	L	34.9	Very low	51.8	Low	177 Å²	177	136.6 Å²	136.6	93%	0.927	73%	0.73	S	S	*	*			trans	-71.6	134.3	168.4	-85.4	137.4	0	0	0	110
911	A	42.2	Very low	50.8	Low	93 Å²	93	140.9 Å²	140.9	77%	0.769	75%	0.753	S	S	*	*			trans	-129.8	131	163.9	0	0	0	0	0	108.3
912	D	34.8	Very low	49.8	Very low	239 Å²	239	141.7 Å²	141.7	100%	1.278	77%	0.766	S	S	*	*			trans	74.8	0	-177.9	-61.5	-13.6	0	0	0	119.2

Retrieved 912 of 912 residues in 1483.4 ms (Link to these results)

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