A0A077Z282_TRITR Loading...

alpha-1,2-Mannosidase

Involved in glycoprotein quality control targeting of misfolded glycoproteins for degradation. It primarily trims a single alpha-1,2-linked mannose residue from Man(9)GlcNAc(2) to produce Man(8)GlcNAc(2), but at high enzyme concentrations, as found in the ER quality control compartment (ERQC), it further trims the carbohydrates to Man(5-6)GlcNAc(2).

AlphaFold DB , UniProt , Accession A0A077Z282, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,044 aa.

						>A0A077Z282_TRITR|A0A077Z282
MRRDPVSLLEAGEWQAAAKPQLKLSLFRRWRLLHRTQQMLLFVFLMGVMAFGVLVVSLMEERPLSVIDEQGKQNVTKNVEASKELLRPKRMRFADPLGVAYFKLCLIGAALVLIRLIDFYKCGALYRSRKVSYPLFTYVSIGPRNDRQRAVRDSFLHAWKGYKAFAWGKDELDPVKNGSNVWFGLQLTLVDALDTALIMGLDDEYEEARNEIAKNFDVNVNRFVSLFEVTIRVLGGLLTVYHLTGDELFLEKAKQLGDRLLPAFKTSSGIPYSDVNLRSGKARNAPWTQFASLAEVTTIQLEFRELSRLTGNSTYEAAAFNVSTKVHNMRCNKYSGLCPMFVNIEKSKWNYATSTITLGARSDTYYEYLLKQWLQTGKRISWLRSDFAKSVRGMLKHLLRRSEPSKLLFAGEINAKGEFQPKMDHLACFISGAFALAVEHGFARELLHYAKDIGETCRAMYTSNPTGLGPEIAYFNQNPLVQHDLFPADEHSLLRPEAVEAWFYLYRLTNDSKYQDWGWDLLQAIEKHAKVASGYCSVASVMKIPTACRPKMESFLLSETFKYLYLLFDDEHSLFNLKQYNKRQQAVVNSFLHAWKGYKAFAWGEDELNPVANTSIPWFNMQLTLIESLDTLLIMGLKQVGSDVLCFKQLVFASPEFQEAREEIAANFTADVDKYFSFFEVTIRVLGGLLSAFYLSKDELFLQKARMLGDRLLPAFSTRSGFPLAEINPHLGTGKSYFWTSFVSLAELGTSQLEFRSLSRAVGNPAYEDAAFRVSLKLHEMSNMSIYPGLMPADIYEQEWVVSRYNFATYSVGARADSYYEYLLKQWLQTGKRINWLRDDFVAGMQAVLYYLARPSKDNRMLFLGEYKGRMYKPRMEHLTCFAAGSLALAAYNGLGQRFLRDAERIAAACRFMYAMTPTGLGPEFIRFGNDSNSMRRVGSPVYSLLRPEAVEAWFYLYRVTNDTKYQEWGWQMLQAIENHAKTPSGYCSIVDVYQVPTQCKPKMESFLLSETFKYLYLLFDDSHSLLPLKEYVFNTEAHPLPVF
					

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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	32.1	Very low	30.3	Very low	232 Å²	232	168.8 Å²	168.8	100%	1.143	88%	0.876	S	S	*	*				0	145.2	0	-74.6	-177	-165.6	0	0	110
2	R	29.6	Very low	29.9	Very low	235 Å²	235	160.5 Å²	160.5	89%	0.887	86%	0.863	S	S	*	*			trans	75.7	127.9	160.3	-65.4	-176.9	-170.4	-171.8	2.9	121.3
3	R	32.2	Very low	29.3	Very low	241 Å²	241	161.5 Å²	161.5	91%	0.909	86%	0.859	S	S	*	*			trans	149.7	89.2	137.5	-80.4	176.5	-166.3	-159.8	4.8	106.5
4	D	32.2	Very low	29.3	Very low	159 Å²	159	168.2 Å²	168.2	85%	0.85	87%	0.866	S	S	*	*				61.3	151	59.4	-124.3	17.7	0	0	0	114.6
5	P	51.9	Low	28.9	Very low	96 Å²	96	168.3 Å²	168.3	62%	0.623	86%	0.861	S	S	*	*				-128.7	-177.5	-110.2	40	-19.8	0	0	0	113.4
6	V	26.4	Very low	28.6	Very low	143 Å²	143	164.1 Å²	164.1	87%	0.867	86%	0.86	S	S	*	*			trans	46	73.7	164.5	-165.8	0	0	0	0	116.1
7	S	26.1	Very low	28.7	Very low	112 Å²	112	160.4 Å²	160.4	78%	0.783	86%	0.858	S	S	*	*			trans	-161.4	74.7	156.2	65.1	0	0	0	0	111
8	L	29.1	Very low	28.7	Very low	175 Å²	175	156.9 Å²	156.9	92%	0.916	86%	0.855	S	S	*	*			trans	-137.9	33.3	165	-90.4	170.5	0	0	0	111
9	L	24.4	Very low	28.7	Very low	166 Å²	166	159.3 Å²	159.3	87%	0.869	86%	0.857	S	S	*	*			trans	-102.1	71.5	163.5	-82.4	167.6	0	0	0	108.1
10	E	23.6	Very low	29	Very low	187 Å²	187	156.8 Å²	156.8	87%	0.874	85%	0.849	S	S	*	*	S	Bend	trans	-172.6	138.2	156.7	-107.1	163	-153.3	0	0	110.9
11	A	25.4	Very low	29.2	Very low	111 Å²	111	157.9 Å²	157.9	92%	0.917	85%	0.849	S	S	*	*			trans	80.4	120.3	176.8	0	0	0	0	0	118.5
12	G	26.1	Very low	29.4	Very low	69 Å²	69	153.4 Å²	153.4	71%	0.711	83%	0.829	S	S	*	*			trans	151.1	73	157	0	0	0	0	0	115.8	W14	G12-W14 PolarHBondContact O-N 3.29Å
13	E	22.2	Very low	29.8	Very low	174 Å²	174	150.6 Å²	150.6	81%	0.813	82%	0.823	S	S	*	*			trans	-51.5	127.1	167.6	-64.5	171.4	137.1	0	0	112.3
14	W	29.2	Very low	30.1	Very low	255 Å²	255	144.8 Å²	144.8	97%	0.966	81%	0.809	S	S	*	*			trans	-120.7	100.5	156.2	-81	85.6	0	0	0	108.1	G12	G12-W14 PolarHBondContact O-N 3.29Å
15	Q	22.5	Very low	30.6	Very low	169 Å²	169	139.7 Å²	139.7	79%	0.79	79%	0.787	S	S	*	*			trans	-77.9	147.9	171.5	-73.3	-175.9	-19.6	0	0	111.6
16	A	24.9	Very low	30.4	Very low	101 Å²	101	140.5 Å²	140.5	84%	0.835	79%	0.785	S	S	*	*			trans	73.3	96.6	150.3	0	0	0	0	0	120.2
17	A	29.6	Very low	31.4	Very low	101 Å²	101	140.1 Å²	140.1	84%	0.835	77%	0.772	S	S	*	*				-167.6	117.4	121.7	0	0	0	0	0	112.7
18	A	29.3	Very low	32.5	Very low	98 Å²	98	143.5 Å²	143.5	81%	0.81	77%	0.767	S	S	*	*			trans	57.3	91.2	149.8	0	0	0	0	0	121.8
19	K	29.6	Very low	33.4	Very low	202 Å²	202	143.9 Å²	143.9	88%	0.878	76%	0.757	S	S	*	*			trans	55.7	123.5	134	-72.6	-176.1	177.6	177.5	0	122.1
20	P	34.7	Very low	34.9	Very low	109 Å²	109	142 Å²	142	71%	0.708	74%	0.738	S	S	*	*			trans	-91.1	109.9	172.1	34.7	-28	0	0	0	112
21	Q	31.7	Very low	36.5	Very low	181 Å²	181	142.6 Å²	142.6	85%	0.846	73%	0.732	S	S	*	*			trans	-125.1	-8.7	155.9	-77.7	-152.7	-13.3	0	0	114.2
22	L	36.6	Very low	38	Very low	137 Å²	137	144.3 Å²	144.3	72%	0.717	73%	0.725	S	S	*	*	H	α-helix	trans	-79	-25.3	177.6	-107.2	105	0	0	0	114.7	L24 S25	L22-L24 PolarHBondContact O-N 2.9Å; L22-S25 PolarHBondContact O-OG 3.01Å
23	K	38.5	Very low	39.2	Very low	176 Å²	176	144 Å²	144	77%	0.765	71%	0.707	S	S	*	*	H	α-helix	trans	-74.6	-26.6	-173.4	-78	-173.9	175.8	-179.9	0	114.4
24	L	38.9	Very low	41.2	Very low	119 Å²	119	141.4 Å²	141.4	62%	0.623	69%	0.694	S	S	*	*	H	α-helix	trans	-81.6	-27.6	-179.2	-90.8	150.9	0	0	0	113.6	L22 R28	L22-L24 PolarHBondContact O-N 2.9Å; L24-R28 WeakPolarHBondContact O-CB 3.33Å; L24-R28 WeakPolarHBondContact O-CG 3.22Å; L24-R28 PolarHBondContact O-N 3.19Å
25	S	42.7	Very low	42.8	Very low	53 Å²	53	139.1 Å²	139.1	37%	0.371	69%	0.686	S	S	.	*	H	α-helix	trans	-77	-38.9	-177.8	75.7	0	0	0	0	112.6	L22 R28 R29	L22-S25 PolarHBondContact O-OG 3.01Å; S25-R28 PolarHBondContact O-N 3.07Å; S25-R29 WeakPolarHBondContact O-CB 3.22Å; S25-R29 WeakPolarHBondContact O-CG 3.4Å; S25-R29 PolarHBondContact O-N 3.36Å
26	L	46.6	Very low	44.6	Very low	112 Å²	112	135 Å²	135	59%	0.586	67%	0.673	S	S	*	*	H	α-helix	trans	-66.4	-43.2	177.6	-83.5	159.6	0	0	0	111.8	R29 W30	L26-R29 PolarHBondContact O-N 3.38Å; L26-W30 WeakPolarHBondContact O-CB 3.46Å; L26-W30 PolarHBondContact O-N 3.33Å
27	F	47.7	Very low	46.1	Very low	135 Å²	135	134.7 Å²	134.7	59%	0.592	65%	0.654	S	S	*	*	H	α-helix	trans	-66.8	-38	176.7	-97.6	-81.4	0	0	0	113	W30 R31	F27-W30 PolarHBondContact O-N 3.44Å; F27-R31 PolarHBondContact O-N 3.36Å
28	R	48.4	Very low	47.8	Very low	184 Å²	184	131.4 Å²	131.4	69%	0.694	62%	0.621	S	S	*	*	H	α-helix	trans	-65.3	-40.2	173.7	-77.6	-178.6	-179.9	-176.9	0.8	111.8	L24 S25 L32	L24-R28 WeakPolarHBondContact O-CB 3.33Å; L24-R28 WeakPolarHBondContact O-CG 3.22Å; L24-R28 PolarHBondContact O-N 3.19Å; S25-R28 PolarHBondContact O-N 3.07Å; R28-L32 WeakPolarHBondContact O-CG 3.45Å
29	R	49.7	Very low	49.5	Very low	183 Å²	183	133 Å²	133	69%	0.691	61%	0.614	S	S	*	*	H	α-helix	trans	-68.7	-36.1	175.8	-73.7	179.3	-174.4	-164.9	2.6	112.9	S25 L26 R31 L32	S25-R29 WeakPolarHBondContact O-CB 3.22Å; S25-R29 WeakPolarHBondContact O-CG 3.4Å; S25-R29 PolarHBondContact O-N 3.36Å; L26-R29 PolarHBondContact O-N 3.38Å; R29-R31 PolarHBondContact O-N 3.14Å; R29-L32 PolarHBondContact O-N 3.06Å
30	W	54.7	Low	51.2	Low	127 Å²	127	129.5 Å²	129.5	48%	0.481	60%	0.604	S	S	.	*	H	α-helix	trans	-63.6	-40.1	176.3	-173.3	85.5	0	0	0	112.1	L26 F27 L32 L33 Q38	L26-W30 WeakPolarHBondContact O-CB 3.46Å; L26-W30 PolarHBondContact O-N 3.33Å; F27-W30 PolarHBondContact O-N 3.44Å; W30-L32 PolarHBondContact O-N 2.99Å; W30-L33 PolarHBondContact O-N 2.96Å; W30-Q38 HydrophobicContact CZ2-CG 4.3Å; W30-Q38 PolarHBondContact O-NE2 3.25Å
31	R	56.9	Low	53.1	Low	199 Å²	199	128.2 Å²	128.2	75%	0.751	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-14.7	175.5	-68.6	-171.3	-158.2	-173.4	5.2	114.5	F27 R29	F27-R31 PolarHBondContact O-N 3.36Å; R29-R31 PolarHBondContact O-N 3.14Å
32	L	56.7	Low	55.1	Low	147 Å²	147	125.9 Å²	125.9	77%	0.77	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-13.5	177.3	-73	164.2	0	0	0	113.1	R28 R29 W30	R28-L32 WeakPolarHBondContact O-CG 3.45Å; R29-L32 PolarHBondContact O-N 3.06Å; W30-L32 PolarHBondContact O-N 2.99Å
33	L	52.2	Low	56.5	Low	62 Å²	62	123.9 Å²	123.9	33%	0.325	57%	0.571	S	S	.	*	S	Bend	trans	-79.5	135.1	175.3	-68.8	166.9	0	0	0	110.1	W30 Q37 Q38 L41	W30-L33 PolarHBondContact O-N 2.96Å; L33-Q37 HydrophobicContact CB-CB 4.19Å; L33-Q37 HydrophobicContact CD2-CB 4.11Å; L33-Q38 HydrophobicContact CB-CG 3.73Å; L33-Q38 PolarHBondContact O-NE2 2.85Å; L33-L41 HydrophobicContact CD1-CD2 4.14Å
34	H	65	Low	58.2	Low	119 Å²	119	121.2 Å²	121.2	55%	0.551	56%	0.559	S	S	*	*			trans	-60.1	148.1	171.3	-161.8	-94.1	0	0	0	109.9	T36 Q37 Q38	H34-T36 PolarHBondContact ND1-OG1 3.24Å; H34-T36 PolarHBondContact O-N 3.48Å; H34-Q37 HydrophobicContact CB-CG 4.19Å; H34-Q37 WeakPolarHBondContact O-CA 3.28Å; H34-Q37 WeakPolarHBondContact O-CB 3.48Å; H34-Q37 PolarHBondContact O-N 3.44Å; H34-Q38 PolarHBondContact O-N 3.33Å
35	R	63	Low	60	Low	207 Å²	207	120.1 Å²	120.1	78%	0.781	55%	0.554	S	S	*	*	H	α-helix	trans	-52.7	-34.9	-176.6	-86.9	-174	176.1	-177.7	-0.3	113.6	Q38 M39	R35-Q38 PolarHBondContact O-N 2.96Å; R35-M39 WeakPolarHBondContact O-CB 3.42Å; R35-M39 WeakPolarHBondContact O-CG 3.34Å; R35-M39 PolarHBondContact O-N 3.45Å
36	T	58.4	Low	61.2	Low	84 Å²	84	122.3 Å²	122.3	52%	0.515	56%	0.559	S	S	.	*	H	α-helix	trans	-66.9	-36.7	174.8	44.6	0	0	0	0	112.9	H34 M39 L40	H34-T36 PolarHBondContact ND1-OG1 3.24Å; H34-T36 PolarHBondContact O-N 3.48Å; T36-M39 PolarHBondContact O-N 3.48Å; T36-L40 WeakPolarHBondContact O-CG 3.46Å; T36-L40 PolarHBondContact O-N 3.45Å
37	Q	57.9	Low	62.2	Low	93 Å²	93	118.8 Å²	118.8	44%	0.435	55%	0.55	S	S	.	*	H	α-helix	trans	-72	-38.7	174.7	-62.9	171.5	-33.7	0	0	111.2	L33 H34 M39 L40 L41	L33-Q37 HydrophobicContact CB-CB 4.19Å; L33-Q37 HydrophobicContact CD2-CB 4.11Å; H34-Q37 HydrophobicContact CB-CG 4.19Å; H34-Q37 WeakPolarHBondContact O-CA 3.28Å; H34-Q37 WeakPolarHBondContact O-CB 3.48Å; H34-Q37 PolarHBondContact O-N 3.44Å; Q37-M39 VanDerWaalsContact C-N 3.33Å; Q37-L40 PolarHBondContact O-N 2.85Å; Q37-L41 VanDerWaalsContact O-CB 3.26Å; Q37-L41 WeakPolarHBondContact O-CB 3.35Å; Q37-L41 PolarHBondContact O-N 3.41Å
38	Q	65	Low	63.1	Low	33 Å²	33	116.2 Å²	116.2	15%	0.154	55%	0.545	C	S	.	.	H	α-helix	trans	-60.5	-43.2	171.1	-66.6	178.2	-16.9	0	0	111	W30 L33 H34 R35 F42	W30-Q38 HydrophobicContact CZ2-CG 4.3Å; W30-Q38 PolarHBondContact O-NE2 3.25Å; L33-Q38 HydrophobicContact CB-CG 3.73Å; L33-Q38 PolarHBondContact O-NE2 2.85Å; H34-Q38 PolarHBondContact O-N 3.33Å; R35-Q38 PolarHBondContact O-N 2.96Å; Q38-F42 WeakPolarHBondContact O-CB 3.27Å; Q38-F42 PolarHBondContact O-N 3.24Å
39	M	65.2	Low	64	Low	132 Å²	132	113.4 Å²	113.4	65%	0.65	54%	0.542	S	S	*	.	H	α-helix	trans	-63.4	-48.3	175.4	-86.9	-101.7	-89.2	0	0	112.4	R35 T36 Q37 L41 F42 V43	R35-M39 WeakPolarHBondContact O-CB 3.42Å; R35-M39 WeakPolarHBondContact O-CG 3.34Å; R35-M39 PolarHBondContact O-N 3.45Å; T36-M39 PolarHBondContact O-N 3.48Å; Q37-M39 VanDerWaalsContact C-N 3.33Å; M39-L41 VanDerWaalsContact C-N 3.32Å; M39-L41 PolarHBondContact O-N 2.96Å; M39-F42 PolarHBondContact O-N 3.49Å; M39-V43 WeakPolarHBondContact O-CB 3.22Å; M39-V43 VanDerWaalsContact O-CG2 3.28Å; M39-V43 WeakPolarHBondContact O-CG2 3.24Å; M39-V43 PolarHBondContact O-N 3.46Å
40	L	65.7	Low	64.8	Low	128 Å²	128	107.7 Å²	107.7	67%	0.67	53%	0.534	S	S	*	.	H	α-helix	trans	-61.4	-42	177.6	-76.7	168	0	0	0	111.7	T36 Q37 F44	T36-L40 WeakPolarHBondContact O-CG 3.46Å; T36-L40 PolarHBondContact O-N 3.45Å; Q37-L40 PolarHBondContact O-N 2.85Å; L40-F44 VanDerWaalsContact O-CB 3.25Å; L40-F44 WeakPolarHBondContact O-CB 3.44Å; L40-F44 PolarHBondContact O-N 3.49Å
41	L	73.7	Confident	65.3	Low	81 Å²	81	106.8 Å²	106.8	42%	0.424	53%	0.533	S	S	.	.	H	α-helix	trans	-66.5	-39.1	176	-163	75.4	0	0	0	111.3	L33 Q37 M39 F44 L45	L33-L41 HydrophobicContact CD1-CD2 4.14Å; Q37-L41 VanDerWaalsContact O-CB 3.26Å; Q37-L41 WeakPolarHBondContact O-CB 3.35Å; Q37-L41 PolarHBondContact O-N 3.41Å; M39-L41 VanDerWaalsContact C-N 3.32Å; M39-L41 PolarHBondContact O-N 2.96Å; L41-F44 PolarHBondContact O-N 3.37Å; L41-L45 HydrophobicContact CG-CD1 4.33Å; L41-L45 WeakPolarHBondContact O-CB 3.5Å; L41-L45 WeakPolarHBondContact O-CG 3.33Å; L41-L45 PolarHBondContact O-N 2.96Å
42	F	72.9	Confident	65.7	Low	132 Å²	132	98.9 Å²	98.9	58%	0.579	51%	0.514	S	S	*	.	H	α-helix	trans	-66.9	-44.7	176.8	-169.6	-94.1	0	0	0	111.8	Q38 M39 F44 L45 M46	Q38-F42 WeakPolarHBondContact O-CB 3.27Å; Q38-F42 PolarHBondContact O-N 3.24Å; M39-F42 PolarHBondContact O-N 3.49Å; F42-F44 VanDerWaalsContact C-N 3.33Å; F42-F44 PolarHBondContact O-N 3.03Å; F42-L45 PolarHBondContact O-N 2.72Å; F42-M46 HydrophobicContact CD1-CG 3.92Å; F42-M46 HydrophobicContact CE1-CG 3.67Å; F42-M46 HydrophobicContact CE1-SD 4.15Å; F42-M46 HydrophobicContact CZ-CG 4.22Å; F42-M46 HydrophobicContact CZ-SD 4.3Å; F42-M46 WeakPolarHBondContact O-CB 3.25Å; F42-M46 VanDerWaalsContact O-CG 3.23Å; F42-M46 WeakPolarHBondContact O-CG 3.27Å; F42-M46 PolarHBondContact O-N 2.82Å
43	V	67.8	Low	66	Low	95 Å²	95	96.4 Å²	96.4	58%	0.576	50%	0.504	S	S	*	.	H	α-helix	trans	-61.9	-42	174.3	171	0	0	0	0	110.6	M39 M46 G47	M39-V43 WeakPolarHBondContact O-CB 3.22Å; M39-V43 VanDerWaalsContact O-CG2 3.28Å; M39-V43 WeakPolarHBondContact O-CG2 3.24Å; M39-V43 PolarHBondContact O-N 3.46Å; V43-M46 PolarHBondContact O-N 3.01Å; V43-G47 PolarHBondContact O-N 3.36Å
44	F	72.8	Confident	66.3	Low	121 Å²	121	98 Å²	98	53%	0.531	51%	0.513	S	S	.	.	H	α-helix	trans	-61.9	-47.2	175.1	-179.8	-98.6	0	0	0	111.7	L40 L41 F42 M46 G47 V48	L40-F44 VanDerWaalsContact O-CB 3.25Å; L40-F44 WeakPolarHBondContact O-CB 3.44Å; L40-F44 PolarHBondContact O-N 3.49Å; L41-F44 PolarHBondContact O-N 3.37Å; F42-F44 VanDerWaalsContact C-N 3.33Å; F42-F44 PolarHBondContact O-N 3.03Å; F44-M46 PolarHBondContact O-N 3.4Å; F44-G47 PolarHBondContact O-N 2.92Å; F44-V48 HydrophobicContact CD1-CG2 4.36Å; F44-V48 HydrophobicContact CE1-CG2 3.99Å; F44-V48 HydrophobicContact CE2-CG2 4.49Å; F44-V48 HydrophobicContact CZ-CG2 4.06Å; F44-V48 WeakPolarHBondContact O-CG2 3.49Å; F44-V48 PolarHBondContact O-N 3.49Å
45	L	76.3	Confident	65.9	Low	96 Å²	96	94.8 Å²	94.8	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-63.8	-40.2	177.5	-72.3	168.9	0	0	0	112.2	L41 F42 V48 M49	L41-L45 HydrophobicContact CG-CD1 4.33Å; L41-L45 WeakPolarHBondContact O-CB 3.5Å; L41-L45 WeakPolarHBondContact O-CG 3.33Å; L41-L45 PolarHBondContact O-N 2.96Å; F42-L45 PolarHBondContact O-N 2.72Å; L45-V48 PolarHBondContact O-N 3.05Å; L45-M49 WeakPolarHBondContact O-CG 3.3Å; L45-M49 PolarHBondContact O-N 2.92Å
46	M	67.8	Low	65.5	Low	98 Å²	98	89.8 Å²	89.8	48%	0.483	49%	0.494	S	S	.	.	H	α-helix	trans	-62.4	-41.8	172.8	-75.5	-76.2	-69.7	0	0	111.4	F42 V43 F44 M49 A50	F42-M46 HydrophobicContact CD1-CG 3.92Å; F42-M46 HydrophobicContact CE1-CG 3.67Å; F42-M46 HydrophobicContact CE1-SD 4.15Å; F42-M46 HydrophobicContact CZ-CG 4.22Å; F42-M46 HydrophobicContact CZ-SD 4.3Å; F42-M46 WeakPolarHBondContact O-CB 3.25Å; F42-M46 VanDerWaalsContact O-CG 3.23Å; F42-M46 WeakPolarHBondContact O-CG 3.27Å; F42-M46 PolarHBondContact O-N 2.82Å; V43-M46 PolarHBondContact O-N 3.01Å; F44-M46 PolarHBondContact O-N 3.4Å; M46-M49 PolarHBondContact O-N 3.46Å; M46-M49 HydrophobicContact SD-CE 4.42Å; M46-A50 VanDerWaalsContact O-CB 3.29Å; M46-A50 WeakPolarHBondContact O-CB 3.4Å; M46-A50 PolarHBondContact O-N 2.67Å
47	G	67.4	Low	64.9	Low	39 Å²	39	89.2 Å²	89.2	40%	0.402	49%	0.493	S	S	.	.	H	α-helix	trans	-63	-42.9	176.1	0	0	0	0	0	112.4	V43 F44 F51	V43-G47 PolarHBondContact O-N 3.36Å; F44-G47 PolarHBondContact O-N 2.92Å; G47-F51 VanDerWaalsContact O-CB 3.26Å; G47-F51 WeakPolarHBondContact O-CB 3.39Å; G47-F51 PolarHBondContact O-N 3.25Å
48	V	67.3	Low	64.3	Low	80 Å²	80	91.3 Å²	91.3	49%	0.485	51%	0.507	S	S	.	.	H	α-helix	trans	-64.7	-41.5	175.1	173.7	0	0	0	0	111.3	F44 L45 G52	F44-V48 HydrophobicContact CD1-CG2 4.36Å; F44-V48 HydrophobicContact CE1-CG2 3.99Å; F44-V48 HydrophobicContact CE2-CG2 4.49Å; F44-V48 HydrophobicContact CZ-CG2 4.06Å; F44-V48 WeakPolarHBondContact O-CG2 3.49Å; F44-V48 PolarHBondContact O-N 3.49Å; L45-V48 PolarHBondContact O-N 3.05Å; V48-G52 PolarHBondContact O-N 3.16Å
49	M	68.3	Low	62.9	Low	126 Å²	126	95 Å²	95	62%	0.621	53%	0.525	S	S	*	.	H	α-helix	trans	-67.7	-44.9	176.3	-73.4	-150.9	-62.9	0	0	112.5	L45 M46 F51 G52 V53	L45-M49 WeakPolarHBondContact O-CG 3.3Å; L45-M49 PolarHBondContact O-N 2.92Å; M46-M49 PolarHBondContact O-N 3.46Å; M46-M49 HydrophobicContact SD-CE 4.42Å; M49-F51 VanDerWaalsContact C-N 3.31Å; M49-F51 PolarHBondContact O-N 3.3Å; M49-G52 PolarHBondContact O-N 2.59Å; M49-V53 WeakPolarHBondContact O-CG2 3.4Å; M49-V53 PolarHBondContact O-N 3.33Å
50	A	66.3	Low	61.4	Low	63 Å²	63	96.5 Å²	96.5	52%	0.521	53%	0.531	S	S	.	.	H	α-helix	trans	-61.7	-41.3	177.4	0	0	0	0	0	111.4	M46 V53 L54	M46-A50 VanDerWaalsContact O-CB 3.29Å; M46-A50 WeakPolarHBondContact O-CB 3.4Å; M46-A50 PolarHBondContact O-N 2.67Å; A50-V53 PolarHBondContact O-N 2.92Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 PolarHBondContact O-N 3.01Å
51	F	65.4	Low	59.7	Low	107 Å²	107	99.2 Å²	99.2	47%	0.469	54%	0.54	S	S	.	.	H	α-helix	trans	-65.7	-40.6	174.4	-170.6	-101	0	0	0	111.8	G47 M49 V53 L54 V55 Y101	G47-F51 VanDerWaalsContact O-CB 3.26Å; G47-F51 WeakPolarHBondContact O-CB 3.39Å; G47-F51 PolarHBondContact O-N 3.25Å; M49-F51 VanDerWaalsContact C-N 3.31Å; M49-F51 PolarHBondContact O-N 3.3Å; F51-V53 PolarHBondContact O-N 3.41Å; F51-L54 PolarHBondContact O-N 3.43Å; F51-V55 HydrophobicContact CD1-CG2 3.97Å; F51-V55 HydrophobicContact CE1-CG2 3.62Å; F51-V55 HydrophobicContact CE2-CG2 4.48Å; F51-V55 HydrophobicContact CZ-CG2 3.91Å; F51-V55 WeakPolarHBondContact O-CB 2.84Å; F51-V55 VanDerWaalsContact O-CG2 3.28Å; F51-V55 WeakPolarHBondContact O-CG2 3.48Å; F51-V55 PolarHBondContact O-N 2.65Å; F51-Y101 HydrophobicContact CE1-CE1 4.31Å
52	G	63.8	Low	57.7	Low	34 Å²	34	106.4 Å²	106.4	35%	0.351	56%	0.562	S	S	.	*	H	α-helix	trans	-59.9	-44.1	173.4	0	0	0	0	0	112.9	V48 M49 V55 V56	V48-G52 PolarHBondContact O-N 3.16Å; M49-G52 PolarHBondContact O-N 2.59Å; G52-V55 PolarHBondContact O-N 3.33Å; G52-V56 VanDerWaalsContact O-CG2 3.27Å; G52-V56 WeakPolarHBondContact O-CG2 3.39Å; G52-V56 PolarHBondContact O-N 3.03Å
53	V	63.6	Low	55.9	Low	94 Å²	94	104.9 Å²	104.9	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-65	-41	175.2	173.2	0	0	0	0	111.3	M49 A50 F51 V56 S57	M49-V53 WeakPolarHBondContact O-CG2 3.4Å; M49-V53 PolarHBondContact O-N 3.33Å; A50-V53 PolarHBondContact O-N 2.92Å; F51-V53 PolarHBondContact O-N 3.41Å; V53-V56 PolarHBondContact O-N 3.21Å; V53-S57 WeakPolarHBondContact O-CB 3.26Å; V53-S57 PolarHBondContact O-N 2.96Å; V53-S57 PolarHBondContact O-OG 3.26Å
54	L	58.2	Low	53.8	Low	95 Å²	95	107.4 Å²	107.4	50%	0.497	57%	0.574	S	S	.	*	H	α-helix	trans	-61.8	-46.5	176	-173.1	76.5	0	0	0	110.9	A50 F51 V56 S57 L58	A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 PolarHBondContact O-N 3.01Å; F51-L54 PolarHBondContact O-N 3.43Å; L54-V56 PolarHBondContact O-N 3.06Å; L54-S57 PolarHBondContact O-N 3.19Å; L54-L58 HydrophobicContact CD2-CD1 4.48Å; L54-L58 HydrophobicContact CG-CD1 4.04Å; L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 VanDerWaalsContact O-CG 3.22Å; L54-L58 WeakPolarHBondContact O-CG 3.26Å; L54-L58 PolarHBondContact O-N 2.75Å
55	V	56.6	Low	51.4	Low	52 Å²	52	105.9 Å²	105.9	32%	0.315	58%	0.578	S	S	.	*	H	α-helix	trans	-62	-43.8	176.6	171.4	0	0	0	0	110.6	F51 G52 S57 L58 M59	F51-V55 HydrophobicContact CD1-CG2 3.97Å; F51-V55 HydrophobicContact CE1-CG2 3.62Å; F51-V55 HydrophobicContact CE2-CG2 4.48Å; F51-V55 HydrophobicContact CZ-CG2 3.91Å; F51-V55 WeakPolarHBondContact O-CB 2.84Å; F51-V55 VanDerWaalsContact O-CG2 3.28Å; F51-V55 WeakPolarHBondContact O-CG2 3.48Å; F51-V55 PolarHBondContact O-N 2.65Å; G52-V55 PolarHBondContact O-N 3.33Å; V55-S57 VanDerWaalsContact C-N 3.34Å; V55-S57 PolarHBondContact O-N 3.42Å; V55-L58 PolarHBondContact O-N 3.46Å; V55-M59 HydrophobicContact CG1-CG 4.45Å; V55-M59 HydrophobicContact CG1-SD 4.11Å; V55-M59 WeakPolarHBondContact O-CB 3.4Å; V55-M59 WeakPolarHBondContact O-CG 3.44Å; V55-M59 PolarHBondContact O-N 3.45Å
56	V	55	Low	49	Very low	102 Å²	102	107.3 Å²	107.3	62%	0.618	59%	0.591	S	S	*	*	H	α-helix	trans	-63.7	-39.4	175.7	171.7	0	0	0	0	111.8	G52 V53 L54 L58 M59 E60	G52-V56 VanDerWaalsContact O-CG2 3.27Å; G52-V56 WeakPolarHBondContact O-CG2 3.39Å; G52-V56 PolarHBondContact O-N 3.03Å; V53-V56 PolarHBondContact O-N 3.21Å; L54-V56 PolarHBondContact O-N 3.06Å; V56-L58 VanDerWaalsContact C-N 3.31Å; V56-L58 PolarHBondContact O-N 3.33Å; V56-M59 PolarHBondContact O-N 2.94Å; V56-M59 VanDerWaalsContact O-N 3.14Å; V56-E60 PolarHBondContact O-N 3.4Å
57	S	46.5	Very low	47	Very low	72 Å²	72	109.6 Å²	109.6	50%	0.503	60%	0.604	S	S	.	*	H	α-helix	trans	-67.8	-32.7	176.9	-54	0	0	0	0	112	V53 L54 V55 M59	V53-S57 WeakPolarHBondContact O-CB 3.26Å; V53-S57 PolarHBondContact O-N 2.96Å; V53-S57 PolarHBondContact O-OG 3.26Å; L54-S57 PolarHBondContact O-N 3.19Å; V55-S57 VanDerWaalsContact C-N 3.34Å; V55-S57 PolarHBondContact O-N 3.42Å; S57-M59 VanDerWaalsContact C-N 3.3Å
58	L	44.4	Very low	45	Very low	137 Å²	137	114.5 Å²	114.5	72%	0.717	62%	0.621	S	S	*	*	H	α-helix	trans	-76.5	-18.5	173.7	-70.4	169.7	0	0	0	112.6	L54 V55 V56	L54-L58 HydrophobicContact CD2-CD1 4.48Å; L54-L58 HydrophobicContact CG-CD1 4.04Å; L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 VanDerWaalsContact O-CG 3.22Å; L54-L58 WeakPolarHBondContact O-CG 3.26Å; L54-L58 PolarHBondContact O-N 2.75Å; V55-L58 PolarHBondContact O-N 3.46Å; V56-L58 VanDerWaalsContact C-N 3.31Å; V56-L58 PolarHBondContact O-N 3.33Å
59	M	35.9	Very low	43.2	Very low	110 Å²	110	119.1 Å²	119.1	54%	0.542	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.6	1.4	176.7	-70.9	-171.4	89.5	0	0	113.3	V55 V56 S57 E61	V55-M59 HydrophobicContact CG1-CG 4.45Å; V55-M59 HydrophobicContact CG1-SD 4.11Å; V55-M59 WeakPolarHBondContact O-CB 3.4Å; V55-M59 WeakPolarHBondContact O-CG 3.44Å; V55-M59 PolarHBondContact O-N 3.45Å; V56-M59 PolarHBondContact O-N 2.94Å; V56-M59 VanDerWaalsContact O-N 3.14Å; S57-M59 VanDerWaalsContact C-N 3.3Å; M59-E61 VanDerWaalsContact C-N 3.33Å; M59-E61 PolarHBondContact O-N 3.49Å
60	E	33.8	Very low	41.2	Very low	165 Å²	165	122.5 Å²	122.5	77%	0.771	65%	0.651	S	S	*	*			trans	-76.1	85.8	170.9	-125.6	179	-178.3	0	0	110	V56 R62	V56-E60 PolarHBondContact O-N 3.4Å; E60-R62 PolarHBondContact O-N 2.88Å
61	E	29.9	Very low	39.4	Very low	185 Å²	185	122.2 Å²	122.2	86%	0.864	66%	0.655	S	S	*	*			trans	-64.7	124.7	164.3	-78.3	-169.7	166.9	0	0	110.7	M59	M59-E61 VanDerWaalsContact C-N 3.33Å; M59-E61 PolarHBondContact O-N 3.49Å
62	R	31	Very low	37.5	Very low	232 Å²	232	126 Å²	126	88%	0.875	67%	0.671	S	S	*	*			trans	-158.4	154.6	159.1	-88.7	-137.9	-153.7	-159.9	10	110.2	E60	E60-R62 PolarHBondContact O-N 2.88Å
63	P	35.7	Very low	35.8	Very low	99 Å²	99	132.7 Å²	132.7	64%	0.643	69%	0.693	S	S	*	*				-142.2	-170	-81	28	-1.8	0	0	0	113.2
64	L	23.3	Very low	34.1	Very low	148 Å²	148	135.4 Å²	135.4	78%	0.775	70%	0.704	S	S	*	*			trans	75.4	87.7	148.5	-73.2	154	0	0	0	119.4
65	S	23.5	Very low	32.6	Very low	89 Å²	89	136.8 Å²	136.8	62%	0.622	72%	0.717	S	S	*	*				31.8	127.1	110.2	78.5	0	0	0	0	120.4
66	V	25.4	Very low	31.2	Very low	127 Å²	127	140.1 Å²	140.1	77%	0.77	74%	0.737	S	S	*	*			trans	73	121.1	144.5	-144.3	0	0	0	0	117.4
67	I	25	Very low	29.8	Very low	145 Å²	145	144.3 Å²	144.3	74%	0.744	75%	0.747	S	S	*	*				171.3	127.7	103.5	-79.3	164.8	0	0	0	110.5
68	D	27	Very low	28.9	Very low	142 Å²	142	148.1 Å²	148.1	76%	0.759	76%	0.762	S	S	*	*			trans	-64.6	161.1	170.9	174	20.7	0	0	0	113.2	Q70	D68-Q70 PolarHBondContact O-N 3.34Å
69	E	29.6	Very low	28.2	Very low	177 Å²	177	148.2 Å²	148.2	83%	0.827	77%	0.768	S	S	*	*	S	Bend	trans	-67	23.6	-169.3	-109.2	-174.1	159.7	0	0	117.2
70	Q	26.5	Very low	27.8	Very low	197 Å²	197	151.6 Å²	151.6	92%	0.921	78%	0.782	S	S	*	*	S	Bend	trans	-127.7	65.2	163.8	-77.7	-176.3	-9.5	0	0	111.5	D68	D68-Q70 PolarHBondContact O-N 3.34Å
71	G	28.2	Very low	27.7	Very low	58 Å²	58	148.5 Å²	148.5	60%	0.598	79%	0.785	S	S	*	*			trans	-155.8	28.9	173.9	0	0	0	0	0	112.9	Q73	G71-Q73 PolarHBondContact O-N 3.16Å
72	K	25.8	Very low	27.6	Very low	187 Å²	187	144.8 Å²	144.8	81%	0.813	78%	0.779	S	S	*	*			trans	-69.6	106.3	160.1	-81.7	175	176.6	165.9	0	107.7
73	Q	26.9	Very low	27.4	Very low	174 Å²	174	143.5 Å²	143.5	81%	0.813	78%	0.78	S	S	*	*			trans	158.7	137.6	139	-86.3	167.1	7.1	0	0	111.1	G71	G71-Q73 PolarHBondContact O-N 3.16Å
74	N	28.2	Very low	27.1	Very low	150 Å²	150	147.2 Å²	147.2	80%	0.802	79%	0.789	S	S	*	*			trans	82.1	88.6	175	-50.9	-22.5	0	0	0	114.2
75	V	27	Very low	27.5	Very low	125 Å²	125	148.7 Å²	148.7	76%	0.758	80%	0.796	S	S	*	*			cis	53.3	104	40.3	-174.2	0	0	0	0	113.8
76	T	26.2	Very low	27.7	Very low	121 Å²	121	153 Å²	153	74%	0.742	81%	0.812	S	S	*	*			trans	62.3	106.1	154.9	47.4	0	0	0	0	119.1
77	K	26.6	Very low	27.8	Very low	191 Å²	191	158 Å²	158	83%	0.83	82%	0.817	S	S	*	*				174.7	154.3	111.6	-95.4	171.6	-177.9	-179.9	0	110.2
78	N	28	Very low	27.9	Very low	151 Å²	151	157.3 Å²	157.3	81%	0.807	82%	0.822	S	S	*	*			trans	93.9	67.3	168.2	-52.9	-17.2	0	0	0	116.5	E80	N78-E80 VanDerWaalsContact C-N 3.33Å; N78-E80 PolarHBondContact O-N 2.94Å
79	V	28.9	Very low	27.9	Very low	139 Å²	139	160.2 Å²	160.2	84%	0.842	83%	0.828	S	S	*	*			trans	-51.7	99.3	131.5	175.3	0	0	0	0	108.3
80	E	28.6	Very low	27.7	Very low	182 Å²	182	163.7 Å²	163.7	85%	0.85	83%	0.833	S	S	*	*			trans	173	79	152.3	-101.3	172	-174.3	0	0	109.9	N78	N78-E80 VanDerWaalsContact C-N 3.33Å; N78-E80 PolarHBondContact O-N 2.94Å
81	A	31.8	Very low	27.7	Very low	100 Å²	100	162.9 Å²	162.9	83%	0.826	83%	0.832	S	S	*	*			trans	-164.1	0.9	159.6	0	0	0	0	0	113.3	K83	A81-K83 VanDerWaalsContact C-N 3.33Å; A81-K83 PolarHBondContact O-N 3.29Å; A81-K83 VanDerWaalsContact O-N 3.07Å
82	S	27.3	Very low	27.8	Very low	107 Å²	107	171.5 Å²	171.5	75%	0.748	85%	0.846	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	79.1	167.8	51.7	0	0	0	0	110.1
83	K	26.9	Very low	28.2	Very low	204 Å²	204	172.9 Å²	172.9	89%	0.887	85%	0.853	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.3	2.3	152.9	-112.7	169.6	-168.5	-170.9	0	119.5	A81	A81-K83 VanDerWaalsContact C-N 3.33Å; A81-K83 PolarHBondContact O-N 3.29Å; A81-K83 VanDerWaalsContact O-N 3.07Å
84	E	28.1	Very low	28.7	Very low	178 Å²	178	169 Å²	169	83%	0.832	85%	0.85	S	S	*	*	S	Bend	trans	-138.5	91.9	171	-75.7	-167.6	154.2	0	0	111.3
85	L	32.2	Very low	29.6	Very low	178 Å²	178	165.3 Å²	165.3	93%	0.932	83%	0.831	S	S	*	*			trans	-166.4	52.6	139.7	-126	85.7	0	0	0	110.9	R87	L85-R87 PolarHBondContact O-N 2.89Å
86	L	28	Very low	30.7	Very low	180 Å²	180	164.2 Å²	164.2	94%	0.942	83%	0.826	S	S	*	*			trans	-85.3	89.1	162	-76.6	166.1	0	0	0	108.5
87	R	27.1	Very low	31.8	Very low	231 Å²	231	164.8 Å²	164.8	87%	0.872	82%	0.824	S	S	*	*			trans	-135.8	131.4	152.6	-80.4	-163.7	-175.7	-173.8	3.9	110.2	L85 K89	L85-R87 PolarHBondContact O-N 2.89Å; R87-K89 PolarHBondContact O-N 3.28Å
88	P	27.8	Very low	33	Very low	132 Å²	132	157.4 Å²	157.4	86%	0.857	80%	0.801	S	S	*	*			trans	-79.7	113.6	-169.8	31.8	-32.6	0	0	0	110.3
89	K	26.6	Very low	34.6	Very low	203 Å²	203	154.1 Å²	154.1	88%	0.883	79%	0.787	S	S	*	*			trans	-77.5	123.6	164.6	-80.8	-177	175.4	177.6	0	108.5	R87 M91	R87-K89 PolarHBondContact O-N 3.28Å; K89-M91 PolarHBondContact O-N 3.38Å
90	R	24.9	Very low	36.2	Very low	249 Å²	249	149.8 Å²	149.8	94%	0.94	77%	0.766	S	S	*	*			trans	-46.1	107.9	169.2	-81.7	177.4	174.8	173	-2	109.8
91	M	27.4	Very low	37.3	Very low	181 Å²	181	147.9 Å²	147.9	89%	0.892	75%	0.752	S	S	*	*			trans	-82	118.1	175.2	-131.7	167	-172	0	0	108.5	K89	K89-M91 PolarHBondContact O-N 3.38Å
92	R	30.6	Very low	38.8	Very low	239 Å²	239	149.7 Å²	149.7	90%	0.902	74%	0.741	S	S	*	*			trans	-73.9	127	172.5	-78.5	179.8	178.8	174.2	-0.6	108.5	A94	R92-A94 PolarHBondContact O-N 3.49Å
93	F	34.3	Very low	40.7	Very low	216 Å²	216	150.7 Å²	150.7	95%	0.947	73%	0.732	S	S	*	*			trans	-62.7	115.5	174.9	-73	-95.7	0	0	0	110.8
94	A	36.9	Very low	42.7	Very low	92 Å²	92	146.3 Å²	146.3	76%	0.76	72%	0.718	S	S	*	*			trans	-154.7	97.6	166.9	0	0	0	0	0	111.4	R92	R92-A94 PolarHBondContact O-N 3.49Å
95	D	47.2	Very low	44.5	Very low	73 Å²	73	141 Å²	141	39%	0.39	70%	0.699	S	S	.	*			trans	-139.8	114.7	130.2	-179.2	9.1	0	0	0	108.6	L97 G98 V99	D95-L97 PolarHBondContact O-N 3.19Å; D95-L97 PolarHBondContact OD1-N 2.89Å; D95-G98 PolarHBondContact O-N 3.45Å; D95-V99 PolarHBondContact O-N 3.42Å
96	P	48.9	Very low	46.3	Very low	102 Å²	102	137.1 Å²	137.1	66%	0.662	68%	0.679	S	S	*	*	H	α-helix	trans	-53.9	-31.9	175.9	-25.4	33.5	0	0	0	114.4	A100	P96-A100 WeakPolarHBondContact O-CB 3.44Å; P96-A100 PolarHBondContact O-N 3.16Å
97	L	50.2	Low	48.4	Very low	133 Å²	133	133.1 Å²	133.1	70%	0.696	66%	0.658	S	S	*	*	H	α-helix	trans	-69.5	-44.4	-176.6	-84.3	152	0	0	0	111.9	D95 V99 A100 Y101	D95-L97 PolarHBondContact O-N 3.19Å; D95-L97 PolarHBondContact OD1-N 2.89Å; L97-V99 VanDerWaalsContact C-N 3.35Å; L97-V99 PolarHBondContact O-N 2.96Å; L97-A100 PolarHBondContact O-N 2.49Å; L97-Y101 WeakPolarHBondContact O-CB 3.28Å; L97-Y101 PolarHBondContact O-N 2.92Å
98	G	52.5	Low	50.2	Low	35 Å²	35	123.7 Å²	123.7	36%	0.361	63%	0.632	S	S	.	*	H	α-helix	trans	-62.2	-40.5	175.8	0	0	0	0	0	112.8	D95 Y101 F102	D95-G98 PolarHBondContact O-N 3.45Å; G98-Y101 PolarHBondContact O-N 2.92Å; G98-F102 WeakPolarHBondContact O-CB 3.27Å; G98-F102 PolarHBondContact O-N 3.04Å
99	V	60.4	Low	52.1	Low	83 Å²	83	119.7 Å²	119.7	50%	0.503	61%	0.61	S	S	.	*	H	α-helix	trans	-68.6	-40.7	177.2	179.1	0	0	0	0	111.5	D95 L97 K103	D95-V99 PolarHBondContact O-N 3.42Å; L97-V99 VanDerWaalsContact C-N 3.35Å; L97-V99 PolarHBondContact O-N 2.96Å; V99-K103 HydrophobicContact CG1-CD 4.35Å; V99-K103 WeakPolarHBondContact O-CB 3.34Å; V99-K103 WeakPolarHBondContact O-CG 3.14Å; V99-K103 PolarHBondContact O-N 3.4Å
100	A	61.7	Low	54.1	Low	48 Å²	48	112.3 Å²	112.3	40%	0.397	59%	0.587	S	S	.	*	H	α-helix	trans	-63.3	-42.9	176.7	0	0	0	0	0	111.6	P96 L97 K103 L104	P96-A100 WeakPolarHBondContact O-CB 3.44Å; P96-A100 PolarHBondContact O-N 3.16Å; L97-A100 PolarHBondContact O-N 2.49Å; A100-K103 PolarHBondContact O-N 2.9Å; A100-L104 WeakPolarHBondContact O-CG 3.32Å; A100-L104 PolarHBondContact O-N 3.11Å
101	Y	53.2	Low	56.4	Low	141 Å²	141	105.3 Å²	105.3	55%	0.553	57%	0.568	S	S	*	*	H	α-helix	trans	-68.1	-42.9	179.7	-157.1	-92.6	0	0	0	112.1	F51 L97 G98 K103 L104 C105	F51-Y101 HydrophobicContact CE1-CE1 4.31Å; L97-Y101 WeakPolarHBondContact O-CB 3.28Å; L97-Y101 PolarHBondContact O-N 2.92Å; G98-Y101 PolarHBondContact O-N 2.92Å; Y101-K103 VanDerWaalsContact C-N 3.32Å; Y101-K103 PolarHBondContact O-N 2.61Å; Y101-L104 WeakPolarHBondContact O-CB 3.25Å; Y101-L104 PolarHBondContact O-N 2.93Å; Y101-L104 VanDerWaalsContact O-N 3.16Å; Y101-C105 PolarHBondContact O-N 3.36Å; Y101-C105 PolarHBondContact O-SG 3.15Å
102	F	62.2	Low	58.2	Low	139 Å²	139	101 Å²	101	61%	0.61	55%	0.552	S	S	*	*	H	α-helix	trans	-61.7	-39.6	174.8	-170	-101.9	0	0	0	112.2	G98 C105 L106	G98-F102 WeakPolarHBondContact O-CB 3.27Å; G98-F102 PolarHBondContact O-N 3.04Å; F102-C105 PolarHBondContact O-N 3.3Å; F102-L106 HydrophobicContact CD1-CD1 3.82Å; F102-L106 HydrophobicContact CD1-CG 4.39Å; F102-L106 HydrophobicContact CE1-CD1 3.52Å; F102-L106 HydrophobicContact CE1-CG 4.15Å; F102-L106 HydrophobicContact CZ-CD1 4.28Å; F102-L106 WeakPolarHBondContact O-CG 3.47Å; F102-L106 PolarHBondContact O-N 3.48Å
103	K	68.2	Low	60	Low	128 Å²	128	94.8 Å²	94.8	56%	0.557	54%	0.536	S	S	*	.	H	α-helix	trans	-63	-42.5	172.8	-77.1	179	-180	-178.7	0	112.1	V99 A100 Y101 L106 I107	V99-K103 HydrophobicContact CG1-CD 4.35Å; V99-K103 WeakPolarHBondContact O-CB 3.34Å; V99-K103 WeakPolarHBondContact O-CG 3.14Å; V99-K103 PolarHBondContact O-N 3.4Å; A100-K103 PolarHBondContact O-N 2.9Å; Y101-K103 VanDerWaalsContact C-N 3.32Å; Y101-K103 PolarHBondContact O-N 2.61Å; K103-L106 PolarHBondContact O-N 3.17Å; K103-I107 VanDerWaalsContact O-CG1 3.26Å; K103-I107 WeakPolarHBondContact O-CG1 3.32Å; K103-I107 PolarHBondContact O-N 2.92Å
104	L	69.3	Low	61.5	Low	112 Å²	112	88.8 Å²	88.8	59%	0.586	51%	0.512	S	S	*	.	H	α-helix	trans	-61.8	-42.5	176.1	-81	162.2	0	0	0	112	A100 Y101 L106 I107 G108	A100-L104 WeakPolarHBondContact O-CG 3.32Å; A100-L104 PolarHBondContact O-N 3.11Å; Y101-L104 WeakPolarHBondContact O-CB 3.25Å; Y101-L104 PolarHBondContact O-N 2.93Å; Y101-L104 VanDerWaalsContact O-N 3.16Å; L104-L106 PolarHBondContact O-N 3.26Å; L104-I107 PolarHBondContact O-N 3.19Å; L104-G108 PolarHBondContact O-N 2.93Å
105	C	64.7	Low	62.5	Low	65 Å²	65	94.1 Å²	94.1	44%	0.439	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-41.7	175.3	-69.8	0	0	0	0	112.2	Y101 F102 G108 A109	Y101-C105 PolarHBondContact O-N 3.36Å; Y101-C105 PolarHBondContact O-SG 3.15Å; F102-C105 PolarHBondContact O-N 3.3Å; C105-G108 PolarHBondContact O-N 3.38Å; C105-A109 WeakPolarHBondContact O-CB 3.49Å; C105-A109 PolarHBondContact O-N 3.16Å
106	L	70.2	Confident	62.9	Low	98 Å²	98	95.5 Å²	95.5	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-65.9	-39.4	176.3	-73.6	175.7	0	0	0	112.5	F102 K103 L104 A109 A110	F102-L106 HydrophobicContact CD1-CD1 3.82Å; F102-L106 HydrophobicContact CD1-CG 4.39Å; F102-L106 HydrophobicContact CE1-CD1 3.52Å; F102-L106 HydrophobicContact CE1-CG 4.15Å; F102-L106 HydrophobicContact CZ-CD1 4.28Å; F102-L106 WeakPolarHBondContact O-CG 3.47Å; F102-L106 PolarHBondContact O-N 3.48Å; K103-L106 PolarHBondContact O-N 3.17Å; L104-L106 PolarHBondContact O-N 3.26Å; L106-A109 PolarHBondContact O-N 3.38Å; L106-A110 WeakPolarHBondContact O-CB 3.48Å; L106-A110 PolarHBondContact O-N 3Å
107	I	71.4	Confident	63.2	Low	96 Å²	96	94.6 Å²	94.6	49%	0.492	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-45.4	174.2	-68.1	164.1	0	0	0	110.1	K103 L104 A109 A110 L111	K103-I107 VanDerWaalsContact O-CG1 3.26Å; K103-I107 WeakPolarHBondContact O-CG1 3.32Å; K103-I107 PolarHBondContact O-N 2.92Å; L104-I107 PolarHBondContact O-N 3.19Å; I107-A109 PolarHBondContact O-N 3.48Å; I107-A110 PolarHBondContact O-N 2.84Å; I107-L111 HydrophobicContact CG2-CD1 3.89Å; I107-L111 HydrophobicContact CG2-CG 4.33Å; I107-L111 WeakPolarHBondContact O-CB 3.38Å; I107-L111 VanDerWaalsContact O-CG 3.28Å; I107-L111 WeakPolarHBondContact O-CG 3.25Å; I107-L111 PolarHBondContact O-N 3.07Å
108	G	66.6	Low	63	Low	33 Å²	33	92.4 Å²	92.4	34%	0.34	50%	0.497	S	S	.	.	H	α-helix	trans	-58.7	-46	176.1	0	0	0	0	0	112.5	L104 C105 L111 V112	L104-G108 PolarHBondContact O-N 2.93Å; C105-G108 PolarHBondContact O-N 3.38Å; G108-L111 PolarHBondContact O-N 3.09Å; G108-V112 WeakPolarHBondContact O-CG2 3.28Å; G108-V112 PolarHBondContact O-N 3.24Å
109	A	66.8	Low	62.6	Low	47 Å²	47	98.5 Å²	98.5	39%	0.388	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-41.3	176.6	0	0	0	0	0	112.4	C105 L106 I107 V112 L113	C105-A109 WeakPolarHBondContact O-CB 3.49Å; C105-A109 PolarHBondContact O-N 3.16Å; L106-A109 PolarHBondContact O-N 3.38Å; I107-A109 PolarHBondContact O-N 3.48Å; A109-V112 PolarHBondContact O-N 3.4Å; A109-L113 PolarHBondContact O-N 2.87Å
110	A	69.4	Low	61.4	Low	49 Å²	49	103.7 Å²	103.7	41%	0.405	53%	0.526	S	S	.	.	H	α-helix	trans	-64.3	-41.3	176	0	0	0	0	0	112	L106 I107 L113 I114	L106-A110 WeakPolarHBondContact O-CB 3.48Å; L106-A110 PolarHBondContact O-N 3Å; I107-A110 PolarHBondContact O-N 2.84Å; A110-L113 PolarHBondContact O-N 3.14Å; A110-I114 VanDerWaalsContact O-CG1 3.26Å; A110-I114 WeakPolarHBondContact O-CG1 3.37Å; A110-I114 PolarHBondContact O-N 2.92Å
111	L	71.8	Confident	60.2	Low	102 Å²	102	108 Å²	108	53%	0.534	54%	0.536	S	S	.	.	H	α-helix	trans	-63.8	-41	176.8	-73.7	170.7	0	0	0	112.1	I107 G108 L113 I114 R115	I107-L111 HydrophobicContact CG2-CD1 3.89Å; I107-L111 HydrophobicContact CG2-CG 4.33Å; I107-L111 WeakPolarHBondContact O-CB 3.38Å; I107-L111 VanDerWaalsContact O-CG 3.28Å; I107-L111 WeakPolarHBondContact O-CG 3.25Å; I107-L111 PolarHBondContact O-N 3.07Å; G108-L111 PolarHBondContact O-N 3.09Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L111-I114 PolarHBondContact O-N 3.42Å; L111-R115 WeakPolarHBondContact O-CG 3.46Å; L111-R115 PolarHBondContact O-N 3.12Å
112	V	66.8	Low	59.3	Low	91 Å²	91	106.2 Å²	106.2	55%	0.552	54%	0.543	S	S	*	.	H	α-helix	trans	-63.9	-41.9	174.3	172.8	0	0	0	0	110.8	G108 A109 R115 L116	G108-V112 WeakPolarHBondContact O-CG2 3.28Å; G108-V112 PolarHBondContact O-N 3.24Å; A109-V112 PolarHBondContact O-N 3.4Å; V112-R115 PolarHBondContact O-N 3.01Å; V112-L116 HydrophobicContact CG1-CD1 4.11Å; V112-L116 WeakPolarHBondContact O-CG 3.47Å; V112-L116 PolarHBondContact O-N 3.33Å
113	L	68.3	Low	57.9	Low	108 Å²	108	102.4 Å²	102.4	57%	0.565	54%	0.543	S	S	*	.	H	α-helix	trans	-65.3	-42.1	177.5	-155.8	84.5	0	0	0	111.9	A109 A110 L111 L116 I117	A109-L113 PolarHBondContact O-N 2.87Å; A110-L113 PolarHBondContact O-N 3.14Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L113-L116 PolarHBondContact O-N 3.28Å; L113-I117 HydrophobicContact CD2-CD1 4.43Å; L113-I117 HydrophobicContact CG-CD1 4.38Å; L113-I117 VanDerWaalsContact O-CG1 3.27Å; L113-I117 WeakPolarHBondContact O-CG1 3.43Å; L113-I117 PolarHBondContact O-N 2.81Å
114	I	65.8	Low	56.2	Low	89 Å²	89	100 Å²	100	46%	0.456	55%	0.546	S	S	.	.	H	α-helix	trans	-60.8	-46.7	174.9	-70.3	164.3	0	0	0	110	A110 L111 L116 I117 D118	A110-I114 VanDerWaalsContact O-CG1 3.26Å; A110-I114 WeakPolarHBondContact O-CG1 3.37Å; A110-I114 PolarHBondContact O-N 2.92Å; L111-I114 PolarHBondContact O-N 3.42Å; I114-L116 VanDerWaalsContact C-N 3.31Å; I114-L116 PolarHBondContact O-N 3.43Å; I114-I117 PolarHBondContact O-N 3.18Å; I114-I117 VanDerWaalsContact O-N 3.11Å; I114-D118 PolarHBondContact O-N 3.44Å
115	R	57.3	Low	54.3	Low	204 Å²	204	102.1 Å²	102.1	77%	0.77	56%	0.558	S	S	*	*	H	α-helix	trans	-62.6	-35.9	177.1	-72.9	-140.9	-174.8	-155.7	3.7	113	L111 V112 F119	L111-R115 WeakPolarHBondContact O-CG 3.46Å; L111-R115 PolarHBondContact O-N 3.12Å; V112-R115 PolarHBondContact O-N 3.01Å; R115-F119 VanDerWaalsContact O-CB 3.27Å; R115-F119 WeakPolarHBondContact O-CB 2.89Å; R115-F119 PolarHBondContact O-N 2.97Å
116	L	55.5	Low	52.7	Low	103 Å²	103	109.3 Å²	109.3	54%	0.539	58%	0.577	S	S	.	*	H	α-helix	trans	-68.1	-37.1	173.9	-76.3	167.2	0	0	0	112.2	V112 L113 I114 Y120	V112-L116 HydrophobicContact CG1-CD1 4.11Å; V112-L116 WeakPolarHBondContact O-CG 3.47Å; V112-L116 PolarHBondContact O-N 3.33Å; L113-L116 PolarHBondContact O-N 3.28Å; I114-L116 VanDerWaalsContact C-N 3.31Å; I114-L116 PolarHBondContact O-N 3.43Å; L116-Y120 PolarHBondContact O-N 3.46Å; L116-Y120 VanDerWaalsContact O-N 3.07Å
117	I	55	Low	50.7	Low	82 Å²	82	114.5 Å²	114.5	42%	0.421	59%	0.59	S	S	.	*	H	α-helix	trans	-68.1	-42.6	174.8	-68.5	164.7	0	0	0	110.8	L113 I114 Y120 K121	L113-I117 HydrophobicContact CD2-CD1 4.43Å; L113-I117 HydrophobicContact CG-CD1 4.38Å; L113-I117 VanDerWaalsContact O-CG1 3.27Å; L113-I117 WeakPolarHBondContact O-CG1 3.43Å; L113-I117 PolarHBondContact O-N 2.81Å; I114-I117 PolarHBondContact O-N 3.18Å; I114-I117 VanDerWaalsContact O-N 3.11Å; I117-Y120 CarbonylContact O-C 3.56Å; I117-Y120 WeakPolarHBondContact O-CB 3.3Å; I117-Y120 PolarHBondContact O-N 3.06Å; I117-K121 PolarHBondContact O-N 2.84Å
118	D	46.9	Very low	48.7	Very low	87 Å²	87	115.6 Å²	115.6	47%	0.465	61%	0.606	S	S	.	*	H	α-helix	trans	-66.5	-38.7	177.1	-74.3	-20.9	0	0	0	111.4	I114 Y120 K121 C122	I114-D118 PolarHBondContact O-N 3.44Å; D118-Y120 VanDerWaalsContact C-N 3.27Å; D118-Y120 PolarHBondContact O-N 2.91Å; D118-K121 PolarHBondContact O-N 2.7Å; D118-C122 WeakPolarHBondContact O-CB 3.37Å; D118-C122 PolarHBondContact O-N 3.1Å
119	F	43.8	Very low	46.8	Very low	164 Å²	164	125.3 Å²	125.3	72%	0.719	63%	0.633	S	S	*	*	H	α-helix	trans	-59.9	-39.6	171.6	-164.8	-95.8	0	0	0	111.4	R115 G123	R115-F119 VanDerWaalsContact O-CB 3.27Å; R115-F119 WeakPolarHBondContact O-CB 2.89Å; R115-F119 PolarHBondContact O-N 2.97Å; F119-G123 PolarHBondContact O-N 2.7Å; F119-G123 VanDerWaalsContact O-N 3.17Å
120	Y	34.1	Very low	44.8	Very low	192 Å²	192	133.2 Å²	133.2	75%	0.753	66%	0.658	S	S	*	*	H	α-helix	trans	-70	-38.6	174.5	-114.3	-84.6	0	0	0	113.4	L116 I117 D118 G123 A124	L116-Y120 PolarHBondContact O-N 3.46Å; L116-Y120 VanDerWaalsContact O-N 3.07Å; I117-Y120 CarbonylContact O-C 3.56Å; I117-Y120 WeakPolarHBondContact O-CB 3.3Å; I117-Y120 PolarHBondContact O-N 3.06Å; D118-Y120 VanDerWaalsContact C-N 3.27Å; D118-Y120 PolarHBondContact O-N 2.91Å; Y120-G123 PolarHBondContact O-N 3.03Å; Y120-A124 PolarHBondContact O-N 3.29Å
121	K	36.6	Very low	43	Very low	138 Å²	138	134.2 Å²	134.2	60%	0.6	66%	0.659	S	S	*	*	H	α-helix	trans	-67.5	-35.4	175.8	-78.7	-176.2	176.1	179.2	0	112	I117 D118	I117-K121 PolarHBondContact O-N 2.84Å; D118-K121 PolarHBondContact O-N 2.7Å
122	C	34.9	Very low	40.8	Very low	104 Å²	104	134.3 Å²	134.3	70%	0.703	67%	0.669	S	S	*	*	H	α-helix	trans	-67.8	-33.7	173.6	-99.3	0	0	0	0	112.8	D118	D118-C122 WeakPolarHBondContact O-CB 3.37Å; D118-C122 PolarHBondContact O-N 3.1Å
123	G	33.8	Very low	39.4	Very low	58 Å²	58	135.1 Å²	135.1	60%	0.598	66%	0.662	S	S	*	*	H	α-helix	trans	-71	-26.9	177.4	0	0	0	0	0	114.7	F119 Y120	F119-G123 PolarHBondContact O-N 2.7Å; F119-G123 VanDerWaalsContact O-N 3.17Å; Y120-G123 PolarHBondContact O-N 3.03Å
124	A	30.8	Very low	37.6	Very low	77 Å²	77	136 Å²	136	64%	0.636	68%	0.675	S	S	*	*	H	α-helix	trans	-88.4	-20.5	-172.4	0	0	0	0	0	114.9	Y120	Y120-A124 PolarHBondContact O-N 3.29Å
125	L	30.1	Very low	36.1	Very low	158 Å²	158	135.6 Å²	135.6	83%	0.827	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	2.2	-176.2	-88.8	157.5	0	0	0	114.8
126	Y	31.2	Very low	35.2	Very low	216 Å²	216	130.8 Å²	130.8	85%	0.847	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	7.9	-177.5	-150.6	-99.8	0	0	0	114.5
127	R	28.6	Very low	34.1	Very low	206 Å²	206	132 Å²	132	78%	0.777	67%	0.67	S	S	*	*	S	Bend	trans	-94.3	123.7	175.4	-73.8	-177	-178.7	-171.4	-0.3	110.2
128	S	28.5	Very low	33.7	Very low	119 Å²	119	129.9 Å²	129.9	83%	0.832	66%	0.657	S	S	*	*			trans	89.7	82.2	170.3	89.6	0	0	0	0	117.9
129	R	27.5	Very low	33.6	Very low	238 Å²	238	131 Å²	131	90%	0.898	67%	0.666	S	S	*	*			trans	-141.6	125.3	142	-75.1	-166.9	176.3	178.7	-2.6	109.4
130	K	24.8	Very low	34	Very low	212 Å²	212	125 Å²	125	92%	0.922	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-70.4	125.2	173.6	-74.9	-178.1	173.9	-175.4	0	108.5
131	V	30.8	Very low	35.4	Very low	71 Å²	71	120.8 Å²	120.8	43%	0.43	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-103.1	129.4	170.1	-175.7	0	0	0	0	107.2	Y133	V131-Y133 HydrophobicContact CB-CD2 4.43Å; V131-Y133 HydrophobicContact CB-CE2 3.69Å; V131-Y133 HydrophobicContact CG1-CD1 4.18Å; V131-Y133 HydrophobicContact CG1-CD2 4.06Å; V131-Y133 HydrophobicContact CG1-CE1 3.64Å; V131-Y133 HydrophobicContact CG1-CE2 3.5Å; V131-Y133 HydrophobicContact CG1-CG 4.37Å; V131-Y133 WeakPolarHBondContact CG1-OH 3.31Å
132	S	25.8	Very low	37.3	Very low	104 Å²	104	114.9 Å²	114.9	73%	0.727	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-97.1	123.2	169	61.1	0	0	0	0	109.1
133	Y	36.7	Very low	39.8	Very low	108 Å²	108	111.1 Å²	111.1	42%	0.424	59%	0.587	S	S	.	*			trans	-105.4	143.1	176.2	-61.4	-82.7	0	0	0	109.7	V131 L135 R308	V131-Y133 HydrophobicContact CB-CD2 4.43Å; V131-Y133 HydrophobicContact CB-CE2 3.69Å; V131-Y133 HydrophobicContact CG1-CD1 4.18Å; V131-Y133 HydrophobicContact CG1-CD2 4.06Å; V131-Y133 HydrophobicContact CG1-CE1 3.64Å; V131-Y133 HydrophobicContact CG1-CE2 3.5Å; V131-Y133 HydrophobicContact CG1-CG 4.37Å; V131-Y133 WeakPolarHBondContact CG1-OH 3.31Å; Y133-L135 PolarHBondContact O-N 3.37Å; Y133-R308 HydrophobicContact CD2-CG 4.16Å; Y133-R308 HydrophobicContact CE2-CG 3.6Å
134	P	31.3	Very low	42.2	Very low	127 Å²	127	112 Å²	112	83%	0.825	57%	0.572	S	S	*	*			trans	-64.1	123.8	172.6	25	-30.5	0	0	0	109.8
135	L	33.7	Very low	45.1	Very low	80 Å²	80	109.6 Å²	109.6	42%	0.419	55%	0.548	S	S	.	.			trans	-66.8	136.9	170.2	-89	149.6	0	0	0	109.4	Y133 T137 Y241	Y133-L135 PolarHBondContact O-N 3.37Å; L135-T137 PolarHBondContact O-N 2.99Å; L135-Y241 HydrophobicContact CD2-CE1 3.91Å
136	F	38.2	Very low	48.3	Very low	102 Å²	102	107.5 Å²	107.5	45%	0.447	54%	0.538	S	S	.	.			trans	-74	107.5	172.7	-167.8	-92	0	0	0	107.6	Y138 H242	F136-Y138 HydrophobicContact CE1-CD2 4.26Å; F136-Y138 PolarHBondContact O-N 3.05Å; F136-Y138 VanDerWaalsContact O-N 3.11Å; F136-H242 VanDerWaalsContact O-O 3.09Å
137	T	33.9	Very low	51.4	Low	129 Å²	129	100.5 Å²	100.5	79%	0.791	51%	0.51	S	S	*	.			trans	-77.5	95	167.6	37.5	0	0	0	0	108.1	L135 V139	L135-T137 PolarHBondContact O-N 2.99Å; T137-V139 PolarHBondContact O-N 3.36Å
138	Y	44.8	Very low	54.7	Low	37 Å²	37	90.7 Å²	90.7	15%	0.145	47%	0.473	C	S	.	.			trans	-68.9	127.4	168.4	177.1	-107.1	0	0	0	108.5	F136 S140 L197 I198 L243 L574	F136-Y138 HydrophobicContact CE1-CD2 4.26Å; F136-Y138 PolarHBondContact O-N 3.05Å; F136-Y138 VanDerWaalsContact O-N 3.11Å; Y138-S140 VanDerWaalsContact CE1-CA 3.46Å; Y138-L197 WeakPolarHBondContact CE1-O 3.28Å; Y138-I198 PolarHBondContact OH-O 3.37Å; Y138-I198 VanDerWaalsContact OH-O 3.08Å; Y138-L243 HydrophobicContact CD1-CD2 4.5Å; Y138-L243 HydrophobicContact CD2-CD2 4.47Å; Y138-L243 HydrophobicContact CG-CD2 4.09Å; Y138-L574 HydrophobicContact CE2-CD2 3.99Å
139	V	45.5	Very low	58	Low	110 Å²	110	89.6 Å²	89.6	67%	0.667	45%	0.451	S	S	*	.			trans	-94.4	114.6	165.8	-179.9	0	0	0	0	106	T137 I141	T137-V139 PolarHBondContact O-N 3.36Å; V139-I141 WeakPolarHBondContact O-CG1 3.46Å; V139-I141 PolarHBondContact O-N 2.88Å
140	S	53.4	Low	61.4	Low	38 Å²	38	79.5 Å²	79.5	27%	0.266	42%	0.419	S	S	.	.			trans	-61.3	120.5	169.7	170.4	0	0	0	0	109.6	Y138 G200	Y138-S140 VanDerWaalsContact CE1-CA 3.46Å; S140-G200 WeakPolarHBondContact OG-CA 3.38Å
141	I	62.4	Low	64.9	Low	104 Å²	104	69.4 Å²	69.4	53%	0.533	38%	0.375	S	S	.	.			trans	-113.6	-3.4	-175.3	-24	176.8	0	0	0	112.5	V139	V139-I141 WeakPolarHBondContact O-CG1 3.46Å; V139-I141 PolarHBondContact O-N 2.88Å
142	G	76.1	Confident	68.1	Low	14 Å²	14	69.6 Å²	69.6	14%	0.144	37%	0.368	C	S	.	.			trans	60.2	-174.1	-179.2	0	0	0	0	0	114.7	Y565	G142-Y565 PolarHBondContact O-OH 2.95Å
143	P	87.8	Confident	71.5	Confident	25 Å²	25	69.3 Å²	69.3	16%	0.162	36%	0.358	C	S	.	.			trans	-75.5	133.4	-176.5	29.7	-35.4	0	0	0	111.9	Q148 R149 Y565	P143-Q148 HydrophobicContact CB-CB 3.73Å; P143-R149 HydrophobicContact CB-CB 4.45Å; P143-R149 HydrophobicContact CB-CG 3.72Å; P143-R149 HydrophobicContact CG-CG 3.69Å; P143-Y565 WeakPolarHBondContact CA-OH 3.41Å; P143-Y565 HydrophobicContact CB-CE2 4.08Å; P143-Y565 VanDerWaalsContact N-OH 3.12Å
144	R	85	Confident	74.5	Confident	76 Å²	76	64.4 Å²	64.4	29%	0.287	34%	0.339	S	S	.	.			trans	-100.8	-22.9	-177.2	-72.4	178.9	-68	160.8	3.6	114.8	D569 E571 S573	R144-D569 IonicContact CZ-OD1 3.82Å; R144-D569 IonicContact NH1-OD1 2.74Å; R144-D569 IonicContact NH2-OD1 3.08Å; R144-D569 PolarHBondContact NH2-OD1 3.33Å; R144-D569 IonicContact NH2-OD2 3.86Å; R144-E571 IonicContact CZ-OE2 3.56Å; R144-E571 VanDerWaalsContact NH1-CD 3.27Å; R144-E571 IonicContact NH1-OE2 2.57Å; R144-E571 PolarHBondContact NH1-OE2 3.38Å; R144-S573 PolarHBondContact NH1-OG 3.3Å; R144-S573 PolarHBondContact NH2-OG 2.74Å
145	N	90.4	Very high	77.7	Confident	27 Å²	27	58.3 Å²	58.3	14%	0.144	30%	0.3	C	S	.	.	S	Bend	trans	-130.5	172.9	176.1	62.3	44.3	0	0	0	111.8	R147 Q148 R149 F568 D570	N145-R147 VanDerWaalsContact C-N 3.3Å; N145-R147 PolarHBondContact O-N 2.92Å; N145-R147 PolarHBondContact OD1-N 3.46Å; N145-Q148 PolarHBondContact O-N 2.85Å; N145-Q148 WeakPolarHBondContact OD1-CG 3.37Å; N145-Q148 PolarHBondContact OD1-N 2.93Å; N145-R149 VanDerWaalsContact C-CZ 3.46Å; N145-R149 PolarHBondContact O-N 2.92Å; N145-F568 PolarHBondContact ND2-O 3.27Å; N145-D570 PolarHBondContact ND2-OD2 2.8Å
146	D	97	Very high	80.8	Confident	115 Å²	115	56.6 Å²	56.6	62%	0.615	29%	0.291	S	S	*	.	H	α-helix	trans	-65.1	-33	-176.9	-68.3	-39.9	0	0	0	112.8	R149 A150	D146-R149 PolarHBondContact O-N 2.83Å; D146-R149 IonicContact OD1-CZ 2.64Å; D146-R149 VanDerWaalsContact OD1-CZ 3.23Å; D146-R149 IonicContact OD1-NE 2.59Å; D146-R149 PolarHBondContact OD1-NE 3.34Å; D146-R149 IonicContact OD1-NH2 3.01Å; D146-R149 PolarHBondContact OD1-NH2 2.94Å; D146-R149 IonicContact OD2-NH2 3.23Å; D146-A150 WeakPolarHBondContact O-CB 3.45Å; D146-A150 PolarHBondContact O-N 2.81Å
147	R	98	Very high	83.7	Confident	68 Å²	68	54 Å²	54	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-67.8	-42.2	177.9	-63.5	-169.5	171	172.7	-3.6	111.1	N145 A150 V151 D516 W519 F568	N145-R147 VanDerWaalsContact C-N 3.3Å; N145-R147 PolarHBondContact O-N 2.92Å; N145-R147 PolarHBondContact OD1-N 3.46Å; R147-A150 PolarHBondContact O-N 3.4Å; R147-V151 WeakPolarHBondContact O-CG2 3.29Å; R147-V151 PolarHBondContact O-N 3.2Å; R147-V151 VanDerWaalsContact O-N 3.12Å; R147-D516 IonicContact CZ-OD1 2.79Å; R147-D516 IonicContact NH1-OD1 3.47Å; R147-D516 PolarHBondContact NH1-OD1 2.9Å; R147-D516 IonicContact NH2-OD1 2.89Å; R147-D516 PolarHBondContact NH2-OD1 3.14Å; R147-W519 HydrophobicContact CB-CE3 3.87Å; R147-W519 HydrophobicContact CB-CZ3 3.81Å; R147-W519 HydrophobicContact CG-CD2 3.97Å; R147-W519 HydrophobicContact CG-CE3 3.52Å; R147-W519 HydrophobicContact CG-CH2 4.24Å; R147-W519 HydrophobicContact CG-CZ3 3.67Å; R147-F568 HydrophobicContact CB-CB 3.97Å; R147-F568 HydrophobicContact CB-CD1 4.15Å; R147-F568 HydrophobicContact CB-CD2 3.55Å; R147-F568 HydrophobicContact CB-CE2 4.04Å; R147-F568 HydrophobicContact CB-CG 3.61Å
148	Q	96.7	Very high	86.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-40.7	172.3	-73.9	-167.5	-44.7	0	0	112.3	P143 N145 V151 R152 Y565 F568	P143-Q148 HydrophobicContact CB-CB 3.73Å; N145-Q148 PolarHBondContact O-N 2.85Å; N145-Q148 WeakPolarHBondContact OD1-CG 3.37Å; N145-Q148 PolarHBondContact OD1-N 2.93Å; Q148-V151 PolarHBondContact O-N 3.45Å; Q148-R152 WeakPolarHBondContact O-CB 3.34Å; Q148-R152 PolarHBondContact O-N 3.05Å; Q148-Y565 HydrophobicContact CB-CD2 3.96Å; Q148-Y565 HydrophobicContact CB-CE2 3.73Å; Q148-Y565 HydrophobicContact CG-CD2 4.13Å; Q148-Y565 HydrophobicContact CG-CE2 4.12Å; Q148-Y565 PolarHBondContact NE2-O 2.99Å; Q148-F568 HydrophobicContact CG-CB 3.72Å; Q148-F568 WeakPolarHBondContact CG-O 3.46Å
149	R	97.8	Very high	89.3	Confident	96 Å²	96	46.3 Å²	46.3	36%	0.362	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-45.9	174	-76.8	-176.2	-81.1	-82.9	8.5	111.5	P143 N145 D146 V151 R152 D153	P143-R149 HydrophobicContact CB-CB 4.45Å; P143-R149 HydrophobicContact CB-CG 3.72Å; P143-R149 HydrophobicContact CG-CG 3.69Å; N145-R149 VanDerWaalsContact C-CZ 3.46Å; N145-R149 PolarHBondContact O-N 2.92Å; D146-R149 PolarHBondContact O-N 2.83Å; D146-R149 IonicContact OD1-CZ 2.64Å; D146-R149 VanDerWaalsContact OD1-CZ 3.23Å; D146-R149 IonicContact OD1-NE 2.59Å; D146-R149 PolarHBondContact OD1-NE 3.34Å; D146-R149 IonicContact OD1-NH2 3.01Å; D146-R149 PolarHBondContact OD1-NH2 2.94Å; D146-R149 IonicContact OD2-NH2 3.23Å; R149-V151 PolarHBondContact O-N 2.87Å; R149-R152 WeakPolarHBondContact O-CB 3.44Å; R149-R152 PolarHBondContact O-N 3.13Å; R149-D153 VanDerWaalsContact O-CG 3.28Å; R149-D153 PolarHBondContact O-N 3.49Å
150	A	98.6	Very high	91.8	Very high	27 Å²	27	48.8 Å²	48.8	22%	0.223	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-42.5	178.3	0	0	0	0	0	112.6	D146 R147 D153 S154 W519 L522	D146-A150 WeakPolarHBondContact O-CB 3.45Å; D146-A150 PolarHBondContact O-N 2.81Å; R147-A150 PolarHBondContact O-N 3.4Å; A150-D153 PolarHBondContact O-N 3.47Å; A150-S154 PolarHBondContact O-N 3.39Å; A150-S154 PolarHBondContact O-OG 3.38Å; A150-W519 HydrophobicContact CB-CH2 3.9Å; A150-W519 HydrophobicContact CB-CZ3 3.85Å; A150-L522 HydrophobicContact CB-CD2 3.99Å
151	V	98.6	Very high	94	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-42.8	175.2	180	0	0	0	0	111.4	R147 Q148 R149 D153 S154 F155 M199 L522 F561 L564 F568	R147-V151 WeakPolarHBondContact O-CG2 3.29Å; R147-V151 PolarHBondContact O-N 3.2Å; R147-V151 VanDerWaalsContact O-N 3.12Å; Q148-V151 PolarHBondContact O-N 3.45Å; R149-V151 PolarHBondContact O-N 2.87Å; V151-D153 VanDerWaalsContact C-N 3.31Å; V151-D153 PolarHBondContact O-N 3.06Å; V151-S154 PolarHBondContact O-N 2.87Å; V151-F155 PolarHBondContact O-N 3.12Å; V151-M199 HydrophobicContact CG1-CE 3.83Å; V151-L522 HydrophobicContact CG2-CD1 4.37Å; V151-L522 HydrophobicContact CG2-CD2 3.72Å; V151-F561 HydrophobicContact CG1-CB 3.92Å; V151-F561 HydrophobicContact CG1-CD1 4.26Å; V151-F561 HydrophobicContact CG1-CG 4.38Å; V151-F561 VanDerWaalsContact CG1-O 3.25Å; V151-F561 WeakPolarHBondContact CG1-O 3.49Å; V151-L564 HydrophobicContact CG1-CB 4.12Å; V151-L564 HydrophobicContact CG2-CB 3.81Å; V151-F568 HydrophobicContact CG2-CD2 3.65Å; V151-F568 HydrophobicContact CG2-CE2 3.49Å; V151-F568 VanDerWaalsContact CG2-CE2 3.49Å
152	R	98	Very high	95.7	Very high	74 Å²	74	42.2 Å²	42.2	28%	0.279	20%	0.202	S	C	.	.	H	α-helix	trans	-60.1	-41.7	175.6	-178.9	-175.2	178.1	-145.2	0.9	111.3	Q148 R149 F155 L156 M199 L201	Q148-R152 WeakPolarHBondContact O-CB 3.34Å; Q148-R152 PolarHBondContact O-N 3.05Å; R149-R152 WeakPolarHBondContact O-CB 3.44Å; R149-R152 PolarHBondContact O-N 3.13Å; R152-F155 WeakPolarHBondContact O-CB 3.41Å; R152-F155 PolarHBondContact O-N 3.23Å; R152-L156 HydrophobicContact CG-CD1 4.3Å; R152-L156 WeakPolarHBondContact O-CB 3.06Å; R152-L156 WeakPolarHBondContact O-CG 3.45Å; R152-L156 PolarHBondContact O-N 3.14Å; R152-M199 HydrophobicContact CG-CB 4.43Å; R152-L201 HydrophobicContact CG-CD2 4Å; R152-L201 HydrophobicContact CG-CG 4.47Å
153	D	98.6	Very high	96.7	Very high	99 Å²	99	45.7 Å²	45.7	53%	0.529	21%	0.213	S	C	.	.	H	α-helix	trans	-65.9	-39.8	177.5	-67.3	-19.1	0	0	0	111.9	R149 A150 V151 L156 H157	R149-D153 VanDerWaalsContact O-CG 3.28Å; R149-D153 PolarHBondContact O-N 3.49Å; A150-D153 PolarHBondContact O-N 3.47Å; V151-D153 VanDerWaalsContact C-N 3.31Å; V151-D153 PolarHBondContact O-N 3.06Å; D153-L156 PolarHBondContact O-N 3.07Å; D153-H157 WeakPolarHBondContact O-CB 3.46Å; D153-H157 PolarHBondContact O-N 3.07Å
154	S	98.8	Very high	97.2	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.028	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-43.2	171.9	-61.3	0	0	0	0	111.9	A150 V151 H157 A158 E526 Y535	A150-S154 PolarHBondContact O-N 3.39Å; A150-S154 PolarHBondContact O-OG 3.38Å; V151-S154 PolarHBondContact O-N 2.87Å; S154-H157 PolarHBondContact O-N 2.83Å; S154-A158 PolarHBondContact O-N 2.93Å; S154-A158 VanDerWaalsContact O-N 3.08Å; S154-E526 WeakPolarHBondContact CB-OE1 3.18Å; S154-E526 PolarHBondContact OG-OE1 2.94Å; S154-Y535 WeakPolarHBondContact CA-OH 3.44Å; S154-Y535 WeakPolarHBondContact CB-OH 3.12Å; S154-Y535 WeakPolarHBondContact O-CE2 3.36Å; S154-Y535 PolarHBondContact OG-OH 3.43Å
155	F	98.7	Very high	97.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.2	-48.2	173.7	-178.1	-79.9	0	0	0	110.9	V151 R152 H157 A158 W159 A192 T195 A196 M199 L201 L557 F561	V151-F155 PolarHBondContact O-N 3.12Å; R152-F155 WeakPolarHBondContact O-CB 3.41Å; R152-F155 PolarHBondContact O-N 3.23Å; F155-H157 VanDerWaalsContact C-N 3.33Å; F155-H157 PolarHBondContact O-N 3.02Å; F155-A158 PolarHBondContact O-N 3.18Å; F155-W159 HydrophobicContact CD1-CB 4.28Å; F155-W159 HydrophobicContact CE1-CB 4.12Å; F155-W159 HydrophobicContact CE1-CD2 4.23Å; F155-W159 HydrophobicContact CE1-CE3 4.09Å; F155-W159 HydrophobicContact CE1-CG 4.28Å; F155-W159 HydrophobicContact CZ-CE3 4.05Å; F155-W159 VanDerWaalsContact O-CB 3.3Å; F155-W159 WeakPolarHBondContact O-CB 3.26Å; F155-W159 PolarHBondContact O-N 2.79Å; F155-A192 HydrophobicContact CE2-CB 4.21Å; F155-A192 HydrophobicContact CZ-CB 4.18Å; F155-T195 HydrophobicContact CD2-CG2 3.96Å; F155-T195 HydrophobicContact CE2-CG2 3.71Å; F155-A196 HydrophobicContact CE1-CB 4.19Å; F155-A196 HydrophobicContact CZ-CB 4.09Å; F155-M199 HydrophobicContact CB-CE 4.25Å; F155-M199 HydrophobicContact CB-SD 3.76Å; F155-M199 HydrophobicContact CD1-SD 4.33Å; F155-M199 HydrophobicContact CD2-CE 4.18Å; F155-M199 HydrophobicContact CD2-SD 3.96Å; F155-M199 HydrophobicContact CG-CE 4.41Å; F155-M199 HydrophobicContact CG-SD 3.76Å; F155-L201 HydrophobicContact CD1-CD1 3.37Å; F155-L201 HydrophobicContact CE1-CD1 3.53Å; F155-L201 HydrophobicContact CG-CD1 4.38Å; F155-L557 HydrophobicContact CD2-CB 4.13Å; F155-L557 HydrophobicContact CD2-CD2 4.31Å; F155-L557 HydrophobicContact CD2-CG 4.2Å; F155-L557 HydrophobicContact CE2-CB 3.74Å; F155-L557 HydrophobicContact CE2-CD2 3.93Å; F155-L557 HydrophobicContact CE2-CG 4.08Å; F155-L557 HydrophobicContact CZ-CD2 4.03Å; F155-F561 HydrophobicContact CB-CD2 4.1Å; F155-F561 HydrophobicContact CD2-CB 4.4Å; F155-F561 HydrophobicContact CD2-CD2 4.23Å
156	L	98.6	Very high	98.2	Very high	44 Å²	44	46.4 Å²	46.4	23%	0.23	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-37.5	178.7	-77.1	173	0	0	0	112.7	R152 D153 W159 K160 L201 E204	R152-L156 HydrophobicContact CG-CD1 4.3Å; R152-L156 WeakPolarHBondContact O-CB 3.06Å; R152-L156 WeakPolarHBondContact O-CG 3.45Å; R152-L156 PolarHBondContact O-N 3.14Å; D153-L156 PolarHBondContact O-N 3.07Å; L156-W159 PolarHBondContact O-N 3.36Å; L156-K160 VanDerWaalsContact O-CB 3.23Å; L156-K160 WeakPolarHBondContact O-CB 3.44Å; L156-K160 PolarHBondContact O-N 2.98Å; L156-L201 HydrophobicContact CD1-CD2 4.07Å; L156-L201 HydrophobicContact CD2-CD1 3.91Å; L156-L201 HydrophobicContact CD2-CD2 3.8Å; L156-L201 HydrophobicContact CD2-CG 4.49Å; L156-L201 HydrophobicContact CG-CD1 4.2Å; L156-L201 HydrophobicContact CG-CD2 4.07Å; L156-E204 HydrophobicContact CD2-CG 4.03Å; L156-E204 WeakPolarHBondContact CD2-OE1 3.34Å
157	H	98.7	Very high	98.2	Very high	46 Å²	46	43.7 Å²	43.7	21%	0.213	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-47.5	173.1	178.1	71.6	0	0	0	111.6	D153 S154 F155 G161 K530 V531 A532 G534 Y535	D153-H157 WeakPolarHBondContact O-CB 3.46Å; D153-H157 PolarHBondContact O-N 3.07Å; S154-H157 PolarHBondContact O-N 2.83Å; F155-H157 VanDerWaalsContact C-N 3.33Å; F155-H157 PolarHBondContact O-N 3.02Å; H157-G161 PolarHBondContact O-N 3.28Å; H157-K530 VanDerWaalsContact CD2-CE 3.48Å; H157-K530 WeakPolarHBondContact CD2-CE 3.26Å; H157-V531 PolarHBondContact CE1-O 2.8Å; H157-V531 PolarHBondContact NE2-O 3.35Å; H157-A532 PolarHBondContact CE1-O 2.9Å; H157-G534 PolarHBondContact NE2-N 3.05Å; H157-G534 PolarHBondContact NE2-O 3.35Å; H157-Y535 HydrophobicContact CB-CE2 4.47Å; H157-Y535 AromaticContact CD2-CE2 3.6Å; H157-Y535 AromaticContact CD2-CZ 3.79Å
158	A	98.4	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-44.5	176.7	0	0	0	0	0	112.2	S154 F155 G161 Y162 Y535 M552 L557 F561	S154-A158 PolarHBondContact O-N 2.93Å; S154-A158 VanDerWaalsContact O-N 3.08Å; F155-A158 PolarHBondContact O-N 3.18Å; A158-G161 PolarHBondContact O-N 2.85Å; A158-Y162 PolarHBondContact O-N 2.75Å; A158-Y535 HydrophobicContact CB-CD2 3.85Å; A158-Y535 HydrophobicContact CB-CE2 3.93Å; A158-M552 HydrophobicContact CB-CE 4.31Å; A158-M552 HydrophobicContact CB-SD 3.9Å; A158-L557 HydrophobicContact CB-CD1 3.84Å; A158-L557 HydrophobicContact CB-CD2 4.26Å; A158-L557 HydrophobicContact CB-CG 4.07Å; A158-F561 HydrophobicContact CB-CE2 4.27Å
159	W	98.5	Very high	98.1	Very high	6 Å²	6	45.8 Å²	45.8	2%	0.023	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-43.5	179.3	-172.8	-102.4	0	0	0	112.1	F155 L156 G161 Y162 K163 W167 L189 A192 A208 L557	F155-W159 HydrophobicContact CD1-CB 4.28Å; F155-W159 HydrophobicContact CE1-CB 4.12Å; F155-W159 HydrophobicContact CE1-CD2 4.23Å; F155-W159 HydrophobicContact CE1-CE3 4.09Å; F155-W159 HydrophobicContact CE1-CG 4.28Å; F155-W159 HydrophobicContact CZ-CE3 4.05Å; F155-W159 VanDerWaalsContact O-CB 3.3Å; F155-W159 WeakPolarHBondContact O-CB 3.26Å; F155-W159 PolarHBondContact O-N 2.79Å; L156-W159 PolarHBondContact O-N 3.36Å; W159-G161 VanDerWaalsContact C-N 3.32Å; W159-G161 PolarHBondContact O-N 3.26Å; W159-Y162 PolarHBondContact O-N 2.8Å; W159-K163 WeakPolarHBondContact O-CB 3.42Å; W159-K163 PolarHBondContact O-N 2.94Å; W159-W167 AromaticContact CE2-CZ3 3.94Å; W159-W167 HydrophobicContact CH2-CZ3 4.25Å; W159-W167 AromaticContact CZ2-CH2 3.77Å; W159-W167 HydrophobicContact CZ2-CH2 3.77Å; W159-W167 AromaticContact CZ2-CZ3 3.63Å; W159-W167 HydrophobicContact CZ2-CZ3 3.63Å; W159-L189 HydrophobicContact CH2-CG 4.33Å; W159-A192 HydrophobicContact CZ3-CB 4.06Å; W159-A208 HydrophobicContact CH2-CB 4.08Å; W159-A208 HydrophobicContact CZ2-CB 3.95Å; W159-L557 HydrophobicContact CB-CD2 4.42Å; W159-L557 HydrophobicContact CE3-CD2 3.78Å
160	K	98.3	Very high	98.1	Very high	162 Å²	162	41.2 Å²	41.2	70%	0.704	21%	0.207	S	C	*	.	H	α-helix	trans	-60.3	-42	175.6	-176.9	179.7	-179.6	179.9	0	111.8	L156 A164	L156-K160 VanDerWaalsContact O-CB 3.23Å; L156-K160 WeakPolarHBondContact O-CB 3.44Å; L156-K160 PolarHBondContact O-N 2.98Å; K160-A164 WeakPolarHBondContact O-CB 3.05Å; K160-A164 PolarHBondContact O-N 3.17Å
161	G	98.2	Very high	98	Very high	4 Å²	4	40.5 Å²	40.5	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-47.6	173.9	0	0	0	0	0	112.8	H157 A158 W159 K163 A164 F165 S533	H157-G161 PolarHBondContact O-N 3.28Å; A158-G161 PolarHBondContact O-N 2.85Å; W159-G161 VanDerWaalsContact C-N 3.32Å; W159-G161 PolarHBondContact O-N 3.26Å; G161-K163 PolarHBondContact O-N 3.25Å; G161-A164 PolarHBondContact O-N 3.25Å; G161-F165 VanDerWaalsContact O-CD2 3.32Å; G161-F165 WeakPolarHBondContact O-CD2 3.16Å; G161-F165 PolarHBondContact O-N 3.36Å; G161-F165 VanDerWaalsContact O-N 3.14Å; G161-S533 VanDerWaalsContact CA-O 3.27Å; G161-S533 WeakPolarHBondContact CA-O 3.34Å
162	Y	98.4	Very high	98	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58	-48.1	175.2	173.9	-103.6	0	0	0	111.6	A158 W159 A164 F165 A166 W167 G168 K169 L172 T188 L189	A158-Y162 PolarHBondContact O-N 2.75Å; W159-Y162 PolarHBondContact O-N 2.8Å; Y162-A164 VanDerWaalsContact C-N 3.32Å; Y162-A164 PolarHBondContact O-N 2.72Å; Y162-F165 PolarHBondContact O-N 2.73Å; Y162-A166 HydrophobicContact CD2-CB 3.6Å; Y162-A166 HydrophobicContact CE2-CB 3.74Å; Y162-A166 WeakPolarHBondContact CE2-O 3.49Å; Y162-A166 CarbonylContact O-C 3.59Å; Y162-A166 VanDerWaalsContact O-CA 3.27Å; Y162-A166 WeakPolarHBondContact O-CA 3.38Å; Y162-A166 PolarHBondContact O-N 3.1Å; Y162-A166 PolarHBondContact OH-O 3.43Å; Y162-W167 AromaticContact CD1-CE3 3.91Å; Y162-W167 HydrophobicContact CD1-CE3 3.91Å; Y162-W167 HydrophobicContact CD1-CZ3 4.19Å; Y162-W167 AromaticContact CE1-CE3 3.7Å; Y162-W167 HydrophobicContact CE1-CE3 3.7Å; Y162-W167 HydrophobicContact CE1-CZ3 4.07Å; Y162-W167 PolarHBondContact O-N 3.14Å; Y162-G168 PolarHBondContact OH-N 3.14Å; Y162-K169 WeakPolarHBondContact CE2-O 3.21Å; Y162-K169 PolarHBondContact OH-N 3.16Å; Y162-K169 PolarHBondContact OH-O 3.01Å; Y162-L172 HydrophobicContact CD2-CB 4.32Å; Y162-T188 HydrophobicContact CD1-CG2 4.3Å; Y162-T188 HydrophobicContact CD2-CG2 3.66Å; Y162-T188 HydrophobicContact CE1-CG2 4.43Å; Y162-T188 HydrophobicContact CE2-CG2 3.83Å; Y162-T188 HydrophobicContact CG-CG2 3.93Å; Y162-L189 HydrophobicContact CE1-CB 3.86Å; Y162-L189 HydrophobicContact CE1-CD1 4.31Å; Y162-L189 HydrophobicContact CE1-CG 4.45Å; Y162-L189 WeakPolarHBondContact OH-CB 3.44Å
163	K	97.9	Very high	98	Very high	87 Å²	87	38.2 Å²	38.2	38%	0.378	19%	0.192	S	C	.	.	H	α-helix	trans	-60.4	-37.7	177.1	-177	177.9	172.7	176.4	0	113.2	W159 G161 W167 E207	W159-K163 WeakPolarHBondContact O-CB 3.42Å; W159-K163 PolarHBondContact O-N 2.94Å; G161-K163 PolarHBondContact O-N 3.25Å; K163-W167 HydrophobicContact CB-CE3 3.82Å; K163-W167 HydrophobicContact CB-CZ3 4.18Å; K163-W167 HydrophobicContact CG-CD2 4.2Å; K163-W167 HydrophobicContact CG-CE3 3.88Å; K163-W167 HydrophobicContact CG-CZ3 4.24Å; K163-W167 WeakPolarHBondContact O-CB 3.28Å; K163-E207 VanDerWaalsContact CE-CD 3.44Å; K163-E207 WeakPolarHBondContact CE-OE1 3.4Å; K163-E207 WeakPolarHBondContact CE-OE2 3.46Å; K163-E207 IonicContact NZ-OE1 3.84Å; K163-E207 PolarHBondContact NZ-OE1 2.6Å; K163-E207 IonicContact NZ-OE2 2.67Å; K163-E207 PolarHBondContact NZ-OE2 3.5Å
164	A	97.9	Very high	97.9	Very high	64 Å²	64	33.6 Å²	33.6	53%	0.529	17%	0.168	S	C	.	.	H	α-helix	trans	-72	-37	-179.7	0	0	0	0	0	113.5	K160 G161 Y162	K160-A164 WeakPolarHBondContact O-CB 3.05Å; K160-A164 PolarHBondContact O-N 3.17Å; G161-A164 PolarHBondContact O-N 3.25Å; Y162-A164 VanDerWaalsContact C-N 3.32Å; Y162-A164 PolarHBondContact O-N 2.72Å
165	F	98.2	Very high	97.7	Very high	78 Å²	78	36.9 Å²	36.9	34%	0.342	19%	0.187	S	C	.	.	H	α-helix	trans	-124.5	-12.5	-165.6	-54.9	-64.6	0	0	0	115.2	G161 Y162 L172 N177 S533	G161-F165 VanDerWaalsContact O-CD2 3.32Å; G161-F165 WeakPolarHBondContact O-CD2 3.16Å; G161-F165 PolarHBondContact O-N 3.36Å; G161-F165 VanDerWaalsContact O-N 3.14Å; Y162-F165 PolarHBondContact O-N 2.73Å; F165-L172 HydrophobicContact CB-CD1 3.77Å; F165-N177 HydrophobicContact CD1-CB 3.64Å; F165-N177 HydrophobicContact CD2-CB 4.03Å; F165-N177 HydrophobicContact CE1-CB 3.75Å; F165-N177 HydrophobicContact CE2-CB 4.15Å; F165-N177 HydrophobicContact CG-CB 3.78Å; F165-N177 HydrophobicContact CZ-CB 4.01Å; F165-S533 WeakPolarHBondContact CE2-OG 3.34Å
166	A	97.9	Very high	97.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	22%	0.219	C	C	.	.			trans	-142.9	17	-172.9	0	0	0	0	0	114	Y162 G168 K169 L172	Y162-A166 HydrophobicContact CD2-CB 3.6Å; Y162-A166 HydrophobicContact CE2-CB 3.74Å; Y162-A166 WeakPolarHBondContact CE2-O 3.49Å; Y162-A166 CarbonylContact O-C 3.59Å; Y162-A166 VanDerWaalsContact O-CA 3.27Å; Y162-A166 WeakPolarHBondContact O-CA 3.38Å; Y162-A166 PolarHBondContact O-N 3.1Å; Y162-A166 PolarHBondContact OH-O 3.43Å; A166-G168 PolarHBondContact O-N 2.77Å; A166-K169 HydrophobicContact CB-CB 4.31Å; A166-K169 WeakPolarHBondContact O-CA 3.24Å; A166-K169 WeakPolarHBondContact O-CB 3.41Å; A166-K169 PolarHBondContact O-N 3.11Å; A166-L172 HydrophobicContact CB-CB 4.02Å; A166-L172 HydrophobicContact CB-CD1 3.85Å
167	W	97.8	Very high	97.4	Very high	58 Å²	58	45.5 Å²	45.5	22%	0.22	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	126.6	-179.7	-165.7	-113.4	0	0	0	112.1	W159 Y162 K163 K169 L189 E207 A208 E211	W159-W167 AromaticContact CE2-CZ3 3.94Å; W159-W167 HydrophobicContact CH2-CZ3 4.25Å; W159-W167 AromaticContact CZ2-CH2 3.77Å; W159-W167 HydrophobicContact CZ2-CH2 3.77Å; W159-W167 AromaticContact CZ2-CZ3 3.63Å; W159-W167 HydrophobicContact CZ2-CZ3 3.63Å; Y162-W167 AromaticContact CD1-CE3 3.91Å; Y162-W167 HydrophobicContact CD1-CE3 3.91Å; Y162-W167 HydrophobicContact CD1-CZ3 4.19Å; Y162-W167 AromaticContact CE1-CE3 3.7Å; Y162-W167 HydrophobicContact CE1-CE3 3.7Å; Y162-W167 HydrophobicContact CE1-CZ3 4.07Å; Y162-W167 PolarHBondContact O-N 3.14Å; K163-W167 HydrophobicContact CB-CE3 3.82Å; K163-W167 HydrophobicContact CB-CZ3 4.18Å; K163-W167 HydrophobicContact CG-CD2 4.2Å; K163-W167 HydrophobicContact CG-CE3 3.88Å; K163-W167 HydrophobicContact CG-CZ3 4.24Å; K163-W167 WeakPolarHBondContact O-CB 3.28Å; W167-K169 PolarHBondContact O-N 2.88Å; W167-L189 HydrophobicContact CD2-CD1 4.12Å; W167-L189 HydrophobicContact CE3-CD1 4Å; W167-L189 HydrophobicContact CH2-CD1 3.71Å; W167-L189 HydrophobicContact CZ2-CD1 3.77Å; W167-L189 HydrophobicContact CZ3-CD1 3.82Å; W167-E207 HydrophobicContact CH2-CG 4.3Å; W167-E207 HydrophobicContact CZ2-CG 3.88Å; W167-A208 HydrophobicContact CH2-CB 4.14Å; W167-E211 HydrophobicContact CZ2-CB 3.87Å; W167-E211 HydrophobicContact CZ2-CG 4.22Å; W167-E211 PolarHBondContact NE1-OE2 2.88Å
168	G	95.1	Very high	97.3	Very high	19 Å²	19	44.4 Å²	44.4	20%	0.196	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	7.7	-174.5	0	0	0	0	0	114.8	Y162 A166	Y162-G168 PolarHBondContact OH-N 3.14Å; A166-G168 PolarHBondContact O-N 2.77Å
169	K	97	Very high	97.2	Very high	92 Å²	92	47.1 Å²	47.1	40%	0.4	25%	0.247	S	C	.	.	S	Bend	trans	-98.9	168.1	171.4	-50.5	-59.5	-178.8	-171.3	0	110.2	Y162 A166 W167 V181	Y162-K169 WeakPolarHBondContact CE2-O 3.21Å; Y162-K169 PolarHBondContact OH-N 3.16Å; Y162-K169 PolarHBondContact OH-O 3.01Å; A166-K169 HydrophobicContact CB-CB 4.31Å; A166-K169 WeakPolarHBondContact O-CA 3.24Å; A166-K169 WeakPolarHBondContact O-CB 3.41Å; A166-K169 PolarHBondContact O-N 3.11Å; W167-K169 PolarHBondContact O-N 2.88Å; K169-V181 HydrophobicContact CD-CG2 3.96Å
170	D	97.5	Very high	97.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-78.5	-41.7	-175.2	-64	-36.9	0	0	0	112.3	N180 W182 F183 G184 L185 Q186 L187 T188	D170-N180 PolarHBondContact N-O 3.29Å; D170-W182 HydrophobicContact CB-CB 4.42Å; D170-W182 PolarHBondContact OD2-N 3.2Å; D170-F183 PolarHBondContact OD2-N 3.06Å; D170-G184 PolarHBondContact OD2-N 3.4Å; D170-L185 PolarHBondContact OD1-N 3Å; D170-Q186 PolarHBondContact OD1-N 3.18Å; D170-L187 HydrophobicContact CB-CB 3.66Å; D170-L187 PolarHBondContact OD1-N 2.79Å; D170-T188 WeakPolarHBondContact O-CB 3.23Å; D170-T188 PolarHBondContact O-N 3.5Å; D170-T188 PolarHBondContact O-OG1 3.28Å
171	E	97.1	Very high	96.9	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.056	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	147.9	-171.7	-57.7	174.7	144.4	0	0	111	S179 N180 K551	E171-S179 VanDerWaalsContact O-CA 3.29Å; E171-S179 WeakPolarHBondContact O-CA 3.49Å; E171-N180 HydrophobicContact CB-CB 4.22Å; E171-N180 PolarHBondContact N-O 3.04Å; E171-N180 VanDerWaalsContact N-O 3.16Å; E171-N180 PolarHBondContact O-N 3.45Å; E171-N180 PolarHBondContact OE2-ND2 3.05Å; E171-K551 WeakPolarHBondContact OE1-CE 3.4Å; E171-K551 IonicContact OE1-NZ 3.44Å; E171-K551 PolarHBondContact OE1-NZ 3.47Å
172	L	98.1	Very high	96.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.2	173.9	175.8	67.7	0	0	0	110.5	Y162 F165 A166 P174 S533 M552	Y162-L172 HydrophobicContact CD2-CB 4.32Å; F165-L172 HydrophobicContact CB-CD1 3.77Å; A166-L172 HydrophobicContact CB-CB 4.02Å; A166-L172 HydrophobicContact CB-CD1 3.85Å; L172-P174 HydrophobicContact CD2-CB 4.12Å; L172-P174 HydrophobicContact CG-CB 4.26Å; L172-P174 WeakPolarHBondContact O-CD 3.26Å; L172-S533 VanDerWaalsContact CD2-O 3.3Å; L172-S533 WeakPolarHBondContact CD2-O 3.47Å; L172-M552 HydrophobicContact CB-CB 4.27Å; L172-M552 HydrophobicContact CB-CE 4Å; L172-M552 HydrophobicContact CD2-CB 4.49Å; L172-M552 HydrophobicContact CD2-CE 3.43Å; L172-M552 VanDerWaalsContact CD2-CE 3.43Å; L172-M552 HydrophobicContact CD2-SD 3.96Å; L172-M552 HydrophobicContact CG-CE 4.32Å; L172-M552 PolarHBondContact O-N 2.73Å
173	D	97.7	Very high	96.6	Very high	24 Å²	24	50.3 Å²	50.3	13%	0.128	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	99.4	158.8	178.4	-11.8	0	0	0	108.1	V175 K176 N177 G178 P550	D173-V175 PolarHBondContact O-N 2.96Å; D173-V175 PolarHBondContact OD1-N 3.19Å; D173-K176 PolarHBondContact OD1-N 3.06Å; D173-K176 WeakPolarHBondContact OD2-CB 3.33Å; D173-K176 WeakPolarHBondContact OD2-CD 3.07Å; D173-K176 WeakPolarHBondContact OD2-CG 3.4Å; D173-N177 WeakPolarHBondContact O-CA 3.22Å; D173-N177 PolarHBondContact O-N 2.8Å; D173-G178 PolarHBondContact N-O 2.75Å; D173-G178 PolarHBondContact O-N 2.78Å; D173-P550 VanDerWaalsContact CG-CB 3.49Å; D173-P550 WeakPolarHBondContact OD1-CA 2.77Å; D173-P550 VanDerWaalsContact OD1-CB 3.32Å; D173-P550 WeakPolarHBondContact OD1-CB 3.07Å; D173-P550 VanDerWaalsContact OD2-CB 3.3Å; D173-P550 WeakPolarHBondContact OD2-CB 3.09Å
174	P	96.9	Very high	96.5	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.019	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.8	-173.3	37.3	-41.1	0	0	0	112.6	L172 V531 Y535 C536 M552	L172-P174 HydrophobicContact CD2-CB 4.12Å; L172-P174 HydrophobicContact CG-CB 4.26Å; L172-P174 WeakPolarHBondContact O-CD 3.26Å; P174-V531 HydrophobicContact CB-CG2 3.65Å; P174-V531 HydrophobicContact CG-CG2 4.13Å; P174-V531 WeakPolarHBondContact O-CG2 3.5Å; P174-Y535 WeakPolarHBondContact CG-O 3.45Å; P174-C536 HydrophobicContact CG-CB 4.17Å; P174-M552 HydrophobicContact CG-CB 4.1Å
175	V	94.9	Very high	96.5	Very high	72 Å²	72	44.7 Å²	44.7	44%	0.436	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-43.1	179.6	-179.6	0	0	0	0	110.1	D173 C536 C548	D173-V175 PolarHBondContact O-N 2.96Å; D173-V175 PolarHBondContact OD1-N 3.19Å; V175-C536 HydrophobicContact CG2-CB 4.19Å; V175-C548 HydrophobicContact CG2-CB 3.57Å
176	K	95.2	Very high	96.5	Very high	153 Å²	153	41.3 Å²	41.3	67%	0.665	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	2.5	-179.8	-54.9	-177.2	-173.9	169.7	0	113.5	D173 G178	D173-K176 PolarHBondContact OD1-N 3.06Å; D173-K176 WeakPolarHBondContact OD2-CB 3.33Å; D173-K176 WeakPolarHBondContact OD2-CD 3.07Å; D173-K176 WeakPolarHBondContact OD2-CG 3.4Å; K176-G178 PolarHBondContact O-N 3.31Å
177	N	96.5	Very high	96.5	Very high	72 Å²	72	41.3 Å²	41.3	39%	0.385	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	44.8	-172.6	-62.8	-10.1	0	0	0	111.2	F165 D173 S533	F165-N177 HydrophobicContact CD1-CB 3.64Å; F165-N177 HydrophobicContact CD2-CB 4.03Å; F165-N177 HydrophobicContact CE1-CB 3.75Å; F165-N177 HydrophobicContact CE2-CB 4.15Å; F165-N177 HydrophobicContact CG-CB 3.78Å; F165-N177 HydrophobicContact CZ-CB 4.01Å; D173-N177 WeakPolarHBondContact O-CA 3.22Å; D173-N177 PolarHBondContact O-N 2.8Å; N177-S533 VanDerWaalsContact OD1-CB 3.32Å; N177-S533 WeakPolarHBondContact OD1-CB 3.34Å; N177-S533 PolarHBondContact OD1-OG 2.97Å
178	G	96.6	Very high	96.5	Very high	23 Å²	23	38.6 Å²	38.6	24%	0.237	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-179.8	-176.9	0	0	0	0	0	112.2	D173 K176	D173-G178 PolarHBondContact N-O 2.75Å; D173-G178 PolarHBondContact O-N 2.78Å; K176-G178 PolarHBondContact O-N 3.31Å
179	S	96.5	Very high	96.7	Very high	57 Å²	57	37.7 Å²	37.7	40%	0.399	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.5	174.9	52.2	0	0	0	0	111.3	E171	E171-S179 VanDerWaalsContact O-CA 3.29Å; E171-S179 WeakPolarHBondContact O-CA 3.49Å
180	N	95.8	Very high	96.7	Very high	85 Å²	85	33.4 Å²	33.4	46%	0.455	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148	173.3	-176.2	40.1	0	0	0	110.7	D170 E171	D170-N180 PolarHBondContact N-O 3.29Å; E171-N180 HydrophobicContact CB-CB 4.22Å; E171-N180 PolarHBondContact N-O 3.04Å; E171-N180 VanDerWaalsContact N-O 3.16Å; E171-N180 PolarHBondContact O-N 3.45Å; E171-N180 PolarHBondContact OE2-ND2 3.05Å
181	V	94.5	Very high	96.7	Very high	51 Å²	51	33.9 Å²	33.9	31%	0.309	19%	0.187	S	C	.	.			trans	-117.5	103.6	177	179.7	0	0	0	0	108.2	K169 R222	K169-V181 HydrophobicContact CD-CG2 3.96Å; V181-R222 PolarHBondContact O-NH1 3.02Å
182	W	94.4	Very high	96.8	Very high	103 Å²	103	33.3 Å²	33.3	39%	0.39	19%	0.185	S	C	.	.	S	Bend	trans	-87.9	-63.3	177	-170.9	8.9	0	0	0	111.1	D170 L187 R222 E228	D170-W182 HydrophobicContact CB-CB 4.42Å; D170-W182 PolarHBondContact OD2-N 3.2Å; W182-L187 HydrophobicContact CE3-CD2 4.26Å; W182-R222 WeakPolarHBondContact O-CD 3.43Å; W182-R222 PolarHBondContact O-NH1 3.35Å; W182-E228 HydrophobicContact CH2-CG 3.92Å; W182-E228 HydrophobicContact CZ2-CG 4.48Å
183	F	95.6	Very high	96.7	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	18%	0.184	C	C	.	.	S	Bend	trans	-98	-33	-179.6	-54.1	-45.4	0	0	0	112.8	D170 L185 L187 V224 E228 V229	D170-F183 PolarHBondContact OD2-N 3.06Å; F183-L185 HydrophobicContact CB-CB 4.26Å; F183-L185 HydrophobicContact CB-CD1 4.05Å; F183-L185 HydrophobicContact CB-CG 4Å; F183-L187 HydrophobicContact CD2-CD1 4.4Å; F183-L187 HydrophobicContact CD2-CD2 4.27Å; F183-L187 HydrophobicContact CE2-CD1 4.37Å; F183-L187 HydrophobicContact CE2-CD2 4.05Å; F183-V224 HydrophobicContact CB-CG1 3.92Å; F183-V224 HydrophobicContact CD1-CB 3.67Å; F183-V224 HydrophobicContact CD1-CG1 3.79Å; F183-V224 HydrophobicContact CE1-CB 4.28Å; F183-V224 HydrophobicContact CG-CB 4.34Å; F183-V224 HydrophobicContact CG-CG1 4.22Å; F183-E228 HydrophobicContact CE2-CB 4.01Å; F183-E228 HydrophobicContact CZ-CB 3.55Å; F183-E228 HydrophobicContact CZ-CG 4.28Å; F183-V229 HydrophobicContact CB-CG2 4.47Å; F183-V229 HydrophobicContact CD1-CG2 3.96Å; F183-V229 HydrophobicContact CD2-CG2 3.79Å; F183-V229 HydrophobicContact CE1-CG2 4.13Å; F183-V229 HydrophobicContact CE2-CG2 3.96Å; F183-V229 HydrophobicContact CG-CG2 3.8Å; F183-V229 HydrophobicContact CZ-CG2 4.14Å
184	G	96.3	Very high	96.6	Very high	31 Å²	31	32.7 Å²	32.7	32%	0.32	18%	0.181	S	C	.	.	S	Bend	trans	79.4	35.6	-168.5	0	0	0	0	0	112.5	D170	D170-G184 PolarHBondContact OD2-N 3.4Å
185	L	97.6	Very high	96.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.18	C	C	.	.	S	Bend	trans	-123.3	22.5	-174.7	-65	177.7	0	0	0	112.2	D170 F183 L187 F216 V218 V220 V229 V233 L256 L277	D170-L185 PolarHBondContact OD1-N 3Å; F183-L185 HydrophobicContact CB-CB 4.26Å; F183-L185 HydrophobicContact CB-CD1 4.05Å; F183-L185 HydrophobicContact CB-CG 4Å; L185-L187 PolarHBondContact O-N 3.47Å; L185-F216 HydrophobicContact CB-CE2 4.18Å; L185-F216 WeakPolarHBondContact O-CD2 3.47Å; L185-F216 WeakPolarHBondContact O-CE2 3.18Å; L185-V218 HydrophobicContact CD2-CG1 4.47Å; L185-V220 HydrophobicContact CD2-CG2 4.3Å; L185-V229 HydrophobicContact CD1-CG1 3.78Å; L185-V229 HydrophobicContact CD1-CG2 4.11Å; L185-V233 HydrophobicContact CB-CG1 4.48Å; L185-V233 HydrophobicContact CB-CG2 4.46Å; L185-V233 HydrophobicContact CD1-CG1 4.48Å; L185-V233 HydrophobicContact CD1-CG2 4.39Å; L185-L256 HydrophobicContact CD1-CD1 4.4Å; L185-L277 HydrophobicContact CD1-CD1 3.84Å; L185-L277 HydrophobicContact CD2-CD1 4.06Å; L185-L277 HydrophobicContact CG-CD1 4.37Å
186	Q	97.5	Very high	96.6	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.037	16%	0.159	C	C	.	.			trans	53.5	41.6	-177.6	-42.6	-173.8	5.1	0	0	112	D170 T188 L189 V190 N215 F216	D170-Q186 PolarHBondContact OD1-N 3.18Å; Q186-T188 PolarHBondContact O-N 3.3Å; Q186-L189 HydrophobicContact CB-CB 4.12Å; Q186-L189 WeakPolarHBondContact O-CA 3.25Å; Q186-L189 WeakPolarHBondContact O-CB 3.33Å; Q186-L189 PolarHBondContact O-N 2.92Å; Q186-V190 PolarHBondContact O-N 2.87Å; Q186-N215 PolarHBondContact NE2-O 3.16Å; Q186-N215 VanDerWaalsContact NE2-O 3.15Å; Q186-F216 HydrophobicContact CB-CD2 4.48Å; Q186-F216 HydrophobicContact CG-CD2 4.32Å
187	L	98.1	Very high	96.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-44.6	-60.3	-168.3	177.7	63.7	0	0	0	113.5	D170 W182 F183 L185 L189 V190 D191 R232 V233	D170-L187 HydrophobicContact CB-CB 3.66Å; D170-L187 PolarHBondContact OD1-N 2.79Å; W182-L187 HydrophobicContact CE3-CD2 4.26Å; F183-L187 HydrophobicContact CD2-CD1 4.4Å; F183-L187 HydrophobicContact CD2-CD2 4.27Å; F183-L187 HydrophobicContact CE2-CD1 4.37Å; F183-L187 HydrophobicContact CE2-CD2 4.05Å; L185-L187 PolarHBondContact O-N 3.47Å; L187-L189 VanDerWaalsContact C-N 3.27Å; L187-L189 PolarHBondContact O-N 2.81Å; L187-V190 PolarHBondContact O-N 2.89Å; L187-D191 HydrophobicContact CD1-CB 4.44Å; L187-D191 WeakPolarHBondContact O-CB 3.4Å; L187-D191 PolarHBondContact O-N 3.28Å; L187-R232 HydrophobicContact CD1-CB 3.63Å; L187-R232 HydrophobicContact CD1-CG 4.33Å; L187-V233 HydrophobicContact CD1-CG2 3.76Å
188	T	98	Very high	96.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.9	-37.2	-178.6	-63.8	0	0	0	0	112.6	Y162 D170 Q186 A192	Y162-T188 HydrophobicContact CD1-CG2 4.3Å; Y162-T188 HydrophobicContact CD2-CG2 3.66Å; Y162-T188 HydrophobicContact CE1-CG2 4.43Å; Y162-T188 HydrophobicContact CE2-CG2 3.83Å; Y162-T188 HydrophobicContact CG-CG2 3.93Å; D170-T188 WeakPolarHBondContact O-CB 3.23Å; D170-T188 PolarHBondContact O-N 3.5Å; D170-T188 PolarHBondContact O-OG1 3.28Å; Q186-T188 PolarHBondContact O-N 3.3Å; T188-A192 VanDerWaalsContact O-CB 3.24Å; T188-A192 WeakPolarHBondContact O-CB 3.46Å; T188-A192 PolarHBondContact O-N 3.4Å; T188-A192 VanDerWaalsContact O-N 3.15Å
189	L	98	Very high	95.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.1	-45.9	179.5	-170.1	150.4	0	0	0	111.5	W159 Y162 W167 Q186 L187 L193 A208 E211 I212	W159-L189 HydrophobicContact CH2-CG 4.33Å; Y162-L189 HydrophobicContact CE1-CB 3.86Å; Y162-L189 HydrophobicContact CE1-CD1 4.31Å; Y162-L189 HydrophobicContact CE1-CG 4.45Å; Y162-L189 WeakPolarHBondContact OH-CB 3.44Å; W167-L189 HydrophobicContact CD2-CD1 4.12Å; W167-L189 HydrophobicContact CE3-CD1 4Å; W167-L189 HydrophobicContact CH2-CD1 3.71Å; W167-L189 HydrophobicContact CZ2-CD1 3.77Å; W167-L189 HydrophobicContact CZ3-CD1 3.82Å; Q186-L189 HydrophobicContact CB-CB 4.12Å; Q186-L189 WeakPolarHBondContact O-CA 3.25Å; Q186-L189 WeakPolarHBondContact O-CB 3.33Å; Q186-L189 PolarHBondContact O-N 2.92Å; L187-L189 VanDerWaalsContact C-N 3.27Å; L187-L189 PolarHBondContact O-N 2.81Å; L189-L193 WeakPolarHBondContact O-CB 3.42Å; L189-L193 PolarHBondContact O-N 2.93Å; L189-A208 HydrophobicContact CD1-CB 4.45Å; L189-A208 HydrophobicContact CD2-CB 3.92Å; L189-A208 HydrophobicContact CG-CB 4.08Å; L189-E211 HydrophobicContact CD1-CB 4.11Å; L189-E211 HydrophobicContact CD1-CG 3.77Å; L189-I212 HydrophobicContact CD2-CD1 3.5Å; L189-I212 VanDerWaalsContact CD2-CD1 3.5Å; L189-I212 HydrophobicContact CD2-CG1 3.37Å
190	V	98.3	Very high	95.5	Very high	2 Å²	2	16 Å²	16	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-74.5	-43.6	-179.6	176.7	0	0	0	0	112	Q186 L187 A192 L193 I212 F216 V233 L237	Q186-V190 PolarHBondContact O-N 2.87Å; L187-V190 PolarHBondContact O-N 2.89Å; V190-A192 VanDerWaalsContact C-N 3.33Å; V190-A192 PolarHBondContact O-N 3.08Å; V190-L193 PolarHBondContact O-N 3.41Å; V190-I212 HydrophobicContact CG2-CD1 4Å; V190-I212 HydrophobicContact CG2-CG1 4.3Å; V190-F216 HydrophobicContact CG2-CD2 3.83Å; V190-F216 HydrophobicContact CG2-CE2 3.65Å; V190-V233 HydrophobicContact CG1-CG1 4.06Å; V190-L237 HydrophobicContact CG1-CD2 3.97Å; V190-L237 HydrophobicContact CG1-CG 3.9Å
191	D	98	Very high	95.4	Very high	11 Å²	11	12 Å²	12	6%	0.059	7%	0.068	C	C	.	.	H	α-helix	trans	-62.4	-40	-176.9	-163.2	5	0	0	0	110.5	L187 R232 S554 S558	L187-D191 HydrophobicContact CD1-CB 4.44Å; L187-D191 WeakPolarHBondContact O-CB 3.4Å; L187-D191 PolarHBondContact O-N 3.28Å; D191-R232 IonicContact OD2-NH1 3.44Å; D191-R232 PolarHBondContact OD2-NH1 3.04Å; D191-S554 WeakPolarHBondContact OD2-CB 3.15Å; D191-S554 PolarHBondContact OD2-OG 2.86Å; D191-S558 WeakPolarHBondContact O-CB 3.43Å; D191-S558 VanDerWaalsContact OD1-CB 3.27Å; D191-S558 WeakPolarHBondContact OD1-CB 3.16Å; D191-S558 PolarHBondContact OD1-OG 3.18Å; D191-S558 PolarHBondContact OD2-OG 2.87Å
192	A	98.1	Very high	95.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-7.1	-177.1	0	0	0	0	0	115.5	F155 W159 T188 V190 D194 T195 A196 L557	F155-A192 HydrophobicContact CE2-CB 4.21Å; F155-A192 HydrophobicContact CZ-CB 4.18Å; W159-A192 HydrophobicContact CZ3-CB 4.06Å; T188-A192 VanDerWaalsContact O-CB 3.24Å; T188-A192 WeakPolarHBondContact O-CB 3.46Å; T188-A192 PolarHBondContact O-N 3.4Å; T188-A192 VanDerWaalsContact O-N 3.15Å; V190-A192 VanDerWaalsContact C-N 3.33Å; V190-A192 PolarHBondContact O-N 3.08Å; A192-D194 PolarHBondContact O-N 3.4Å; A192-T195 VanDerWaalsContact O-CB 3.28Å; A192-T195 WeakPolarHBondContact O-CB 3.13Å; A192-T195 PolarHBondContact O-N 3.43Å; A192-T195 VanDerWaalsContact O-N 3.08Å; A192-A196 PolarHBondContact O-N 3.44Å; A192-A196 VanDerWaalsContact O-N 3.12Å; A192-L557 HydrophobicContact CB-CB 3.61Å; A192-L557 HydrophobicContact CB-CD2 4.15Å
193	L	97.1	Very high	95.1	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-66.9	-36.6	-169.9	-171.2	55.9	0	0	0	113.3	L189 V190 T195 A196 L197 Y205 A208 I212 V240 F249	L189-L193 WeakPolarHBondContact O-CB 3.42Å; L189-L193 PolarHBondContact O-N 2.93Å; V190-L193 PolarHBondContact O-N 3.41Å; L193-T195 PolarHBondContact O-N 2.95Å; L193-A196 PolarHBondContact O-N 3.43Å; L193-L197 PolarHBondContact O-N 2.82Å; L193-L197 VanDerWaalsContact O-N 3.15Å; L193-Y205 HydrophobicContact CD1-CD2 3.65Å; L193-Y205 HydrophobicContact CD1-CE2 4.49Å; L193-Y205 HydrophobicContact CD1-CG 4.43Å; L193-Y205 HydrophobicContact CD2-CD2 4.32Å; L193-Y205 HydrophobicContact CD2-CE2 4.39Å; L193-Y205 HydrophobicContact CG-CD2 3.97Å; L193-Y205 HydrophobicContact CG-CE2 4.42Å; L193-A208 HydrophobicContact CD1-CB 3.54Å; L193-A208 HydrophobicContact CD2-CB 4.5Å; L193-I212 HydrophobicContact CD2-CD1 3.63Å; L193-V240 HydrophobicContact CB-CG2 3.95Å; L193-V240 HydrophobicContact CD2-CG1 4.27Å; L193-V240 HydrophobicContact CD2-CG2 4.08Å; L193-V240 HydrophobicContact CG-CG2 3.94Å; L193-F249 HydrophobicContact CD2-CE1 3.61Å; L193-F249 HydrophobicContact CD2-CZ 3.8Å
194	D	94.6	Very high	95.1	Very high	11 Å²	11	17.3 Å²	17.3	6%	0.059	10%	0.101	C	C	.	.	H	α-helix	trans	-64.4	-32.7	174.4	67.6	-10	0	0	0	111.7	A192 L197 I198 T239 V240 L243 K562	A192-D194 PolarHBondContact O-N 3.4Å; D194-L197 WeakPolarHBondContact O-CB 3.38Å; D194-L197 PolarHBondContact O-N 2.98Å; D194-I198 WeakPolarHBondContact O-CG1 3.36Å; D194-I198 PolarHBondContact O-N 3.43Å; D194-T239 HydrophobicContact CB-CG2 3.76Å; D194-V240 HydrophobicContact CB-CG2 4.12Å; D194-L243 HydrophobicContact CB-CD1 4.15Å; D194-K562 WeakPolarHBondContact OD1-CE 3.32Å; D194-K562 IonicContact OD1-NZ 3.82Å; D194-K562 PolarHBondContact OD1-NZ 3.46Å; D194-K562 IonicContact OD2-NZ 3.8Å; D194-K562 PolarHBondContact OD2-NZ 3.13Å
195	T	95.8	Very high	95	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.8	-42.1	177.3	-49.1	0	0	0	0	110.8	F155 A192 L193 L197 I198 M199 L557 S558 K562	F155-T195 HydrophobicContact CD2-CG2 3.96Å; F155-T195 HydrophobicContact CE2-CG2 3.71Å; A192-T195 VanDerWaalsContact O-CB 3.28Å; A192-T195 WeakPolarHBondContact O-CB 3.13Å; A192-T195 PolarHBondContact O-N 3.43Å; A192-T195 VanDerWaalsContact O-N 3.08Å; L193-T195 PolarHBondContact O-N 2.95Å; T195-L197 VanDerWaalsContact C-N 3.32Å; T195-L197 PolarHBondContact O-N 3.49Å; T195-I198 PolarHBondContact O-N 2.89Å; T195-M199 HydrophobicContact CG2-CE 3.53Å; T195-M199 HydrophobicContact CG2-CG 4.46Å; T195-M199 HydrophobicContact CG2-SD 4.05Å; T195-M199 WeakPolarHBondContact O-CG 3.22Å; T195-M199 PolarHBondContact O-N 3.49Å; T195-L557 WeakPolarHBondContact CG2-O 3.31Å; T195-L557 PolarHBondContact OG1-O 3.47Å; T195-S558 WeakPolarHBondContact OG1-CA 3.4Å; T195-S558 PolarHBondContact OG1-O 3.16Å; T195-K562 HydrophobicContact CG2-CB 3.82Å; T195-K562 HydrophobicContact CG2-CG 4.43Å; T195-K562 WeakPolarHBondContact OG1-CE 3.36Å; T195-K562 PolarHBondContact OG1-NZ 3.24Å
196	A	95.7	Very high	94.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.5	-46.3	173.9	0	0	0	0	0	111.2	F155 A192 L193 I198 M199 G200 L201	F155-A196 HydrophobicContact CE1-CB 4.19Å; F155-A196 HydrophobicContact CZ-CB 4.09Å; A192-A196 PolarHBondContact O-N 3.44Å; A192-A196 VanDerWaalsContact O-N 3.12Å; L193-A196 PolarHBondContact O-N 3.43Å; A196-I198 PolarHBondContact O-N 3.31Å; A196-M199 PolarHBondContact O-N 2.79Å; A196-G200 PolarHBondContact O-N 2.85Å; A196-L201 HydrophobicContact CB-CB 4.03Å; A196-L201 HydrophobicContact CB-CD1 4.39Å; A196-L201 WeakPolarHBondContact O-CB 3.2Å; A196-L201 PolarHBondContact O-N 3.25Å
197	L	91.9	Very high	94.9	Very high	13 Å²	13	23.6 Å²	23.6	7%	0.068	12%	0.121	C	C	.	.	H	α-helix	trans	-59.5	-45.3	174	-75.8	167.4	0	0	0	112.4	Y138 L193 D194 T195 M199 G200 Y205 V240 L243 T244	Y138-L197 WeakPolarHBondContact CE1-O 3.28Å; L193-L197 PolarHBondContact O-N 2.82Å; L193-L197 VanDerWaalsContact O-N 3.15Å; D194-L197 WeakPolarHBondContact O-CB 3.38Å; D194-L197 PolarHBondContact O-N 2.98Å; T195-L197 VanDerWaalsContact C-N 3.32Å; T195-L197 PolarHBondContact O-N 3.49Å; L197-M199 VanDerWaalsContact C-N 3.26Å; L197-M199 PolarHBondContact O-N 2.86Å; L197-G200 PolarHBondContact O-N 3Å; L197-G200 VanDerWaalsContact O-N 3.15Å; L197-Y205 HydrophobicContact CD1-CD2 3.79Å; L197-Y205 HydrophobicContact CD1-CE2 3.81Å; L197-Y205 HydrophobicContact CD2-CD1 3.95Å; L197-Y205 HydrophobicContact CD2-CD2 3.52Å; L197-Y205 HydrophobicContact CD2-CE1 4.29Å; L197-Y205 HydrophobicContact CD2-CE2 3.91Å; L197-Y205 HydrophobicContact CD2-CG 3.55Å; L197-Y205 HydrophobicContact CG-CD2 3.58Å; L197-Y205 HydrophobicContact CG-CE2 4.08Å; L197-Y205 HydrophobicContact CG-CG 4.02Å; L197-V240 HydrophobicContact CD1-CG1 3.96Å; L197-V240 HydrophobicContact CD1-CG2 4.35Å; L197-L243 HydrophobicContact CB-CD1 4.16Å; L197-L243 HydrophobicContact CD1-CB 4.14Å; L197-L243 HydrophobicContact CD1-CD1 4.18Å; L197-T244 HydrophobicContact CD1-CG2 3.52Å; L197-T244 HydrophobicContact CD2-CG2 3.99Å; L197-T244 HydrophobicContact CG-CG2 4.43Å
198	I	90.2	Very high	94.9	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.026	12%	0.121	C	C	.	.	H	α-helix	trans	-61.2	-37	179.2	-69.3	169.1	0	0	0	111.5	Y138 D194 T195 A196 G200 L243 K562 Y565 L566 F575	Y138-I198 PolarHBondContact OH-O 3.37Å; Y138-I198 VanDerWaalsContact OH-O 3.08Å; D194-I198 WeakPolarHBondContact O-CG1 3.36Å; D194-I198 PolarHBondContact O-N 3.43Å; T195-I198 PolarHBondContact O-N 2.89Å; A196-I198 PolarHBondContact O-N 3.31Å; I198-G200 VanDerWaalsContact C-N 3.3Å; I198-G200 PolarHBondContact O-N 2.89Å; I198-L243 HydrophobicContact CG1-CD1 4.31Å; I198-K562 HydrophobicContact CD1-CD 4.12Å; I198-K562 HydrophobicContact CD1-CG 4.24Å; I198-Y565 HydrophobicContact CG2-CD1 3.9Å; I198-Y565 HydrophobicContact CG2-CE1 3.97Å; I198-L566 HydrophobicContact CG2-CD2 4.12Å; I198-F575 HydrophobicContact CB-CE2 4.4Å; I198-F575 HydrophobicContact CD1-CE2 3.5Å; I198-F575 VanDerWaalsContact CD1-CE2 3.5Å; I198-F575 HydrophobicContact CD1-CZ 3.55Å; I198-F575 HydrophobicContact CG1-CE2 3.53Å; I198-F575 HydrophobicContact CG1-CZ 3.6Å; I198-F575 HydrophobicContact CG2-CE2 4.02Å
199	M	92.8	Very high	94.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-2.8	179.6	-67.2	179.2	179	0	0	114.4	V151 R152 F155 T195 A196 L197 L201 F561 Y565	V151-M199 HydrophobicContact CG1-CE 3.83Å; R152-M199 HydrophobicContact CG-CB 4.43Å; F155-M199 HydrophobicContact CB-CE 4.25Å; F155-M199 HydrophobicContact CB-SD 3.76Å; F155-M199 HydrophobicContact CD1-SD 4.33Å; F155-M199 HydrophobicContact CD2-CE 4.18Å; F155-M199 HydrophobicContact CD2-SD 3.96Å; F155-M199 HydrophobicContact CG-CE 4.41Å; F155-M199 HydrophobicContact CG-SD 3.76Å; T195-M199 HydrophobicContact CG2-CE 3.53Å; T195-M199 HydrophobicContact CG2-CG 4.46Å; T195-M199 HydrophobicContact CG2-SD 4.05Å; T195-M199 WeakPolarHBondContact O-CG 3.22Å; T195-M199 PolarHBondContact O-N 3.49Å; A196-M199 PolarHBondContact O-N 2.79Å; L197-M199 VanDerWaalsContact C-N 3.26Å; L197-M199 PolarHBondContact O-N 2.86Å; M199-L201 HydrophobicContact CB-CD1 4.29Å; M199-L201 HydrophobicContact CB-CG 4.08Å; M199-F561 HydrophobicContact CE-CB 4Å; M199-F561 WeakPolarHBondContact CE-O 3.44Å; M199-Y565 HydrophobicContact CB-CE2 4.3Å; M199-Y565 HydrophobicContact CE-CD2 4.21Å; M199-Y565 HydrophobicContact CE-CG 4.14Å; M199-Y565 HydrophobicContact CG-CD1 4.26Å; M199-Y565 HydrophobicContact CG-CD2 3.82Å; M199-Y565 HydrophobicContact CG-CE1 4.35Å; M199-Y565 HydrophobicContact CG-CE2 3.9Å; M199-Y565 HydrophobicContact CG-CG 3.99Å
200	G	87.4	Confident	94.9	Very high	12 Å²	12	30.8 Å²	30.8	12%	0.124	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	44.4	-174.4	0	0	0	0	0	114.4	S140 A196 L197 I198 D202	S140-G200 WeakPolarHBondContact OG-CA 3.38Å; A196-G200 PolarHBondContact O-N 2.85Å; L197-G200 PolarHBondContact O-N 3Å; L197-G200 VanDerWaalsContact O-N 3.15Å; I198-G200 VanDerWaalsContact C-N 3.3Å; I198-G200 PolarHBondContact O-N 2.89Å; G200-D202 PolarHBondContact O-N 3.32Å
201	L	94	Very high	94.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.			trans	-95.3	67	172.2	-64.1	-178.3	0	0	0	109.8	R152 F155 L156 A196 M199 E204 Y205	R152-L201 HydrophobicContact CG-CD2 4Å; R152-L201 HydrophobicContact CG-CG 4.47Å; F155-L201 HydrophobicContact CD1-CD1 3.37Å; F155-L201 HydrophobicContact CE1-CD1 3.53Å; F155-L201 HydrophobicContact CG-CD1 4.38Å; L156-L201 HydrophobicContact CD1-CD2 4.07Å; L156-L201 HydrophobicContact CD2-CD1 3.91Å; L156-L201 HydrophobicContact CD2-CD2 3.8Å; L156-L201 HydrophobicContact CD2-CG 4.49Å; L156-L201 HydrophobicContact CG-CD1 4.2Å; L156-L201 HydrophobicContact CG-CD2 4.07Å; A196-L201 HydrophobicContact CB-CB 4.03Å; A196-L201 HydrophobicContact CB-CD1 4.39Å; A196-L201 WeakPolarHBondContact O-CB 3.2Å; A196-L201 PolarHBondContact O-N 3.25Å; M199-L201 HydrophobicContact CB-CD1 4.29Å; M199-L201 HydrophobicContact CB-CG 4.08Å; L201-E204 WeakPolarHBondContact CA-OE2 3.43Å; L201-E204 HydrophobicContact CB-CB 4.09Å; L201-E204 HydrophobicContact CB-CG 4.38Å; L201-E204 WeakPolarHBondContact CB-OE2 3.33Å; L201-E204 PolarHBondContact O-N 3.46Å; L201-Y205 WeakPolarHBondContact O-CB 3.44Å; L201-Y205 PolarHBondContact O-N 3.25Å
202	D	89.1	Confident	94.9	Very high	85 Å²	85	31.8 Å²	31.8	46%	0.455	16%	0.159	S	C	.	.	H	α-helix	trans	-65.8	-38.8	-172.8	-59.1	-32.4	0	0	0	112.1	G200 Y205 E206	G200-D202 PolarHBondContact O-N 3.32Å; D202-Y205 PolarHBondContact O-N 2.98Å; D202-E206 WeakPolarHBondContact O-CG 3.34Å; D202-E206 PolarHBondContact O-N 3.42Å
203	D	93	Very high	94.9	Very high	135 Å²	135	34 Å²	34	72%	0.722	18%	0.178	S	C	*	.	H	α-helix	trans	-65.9	-45.4	177.6	-72.3	-22.7	0	0	0	111.6	Y205 E206 E207	D203-Y205 VanDerWaalsContact C-N 3.32Å; D203-Y205 PolarHBondContact O-N 3.15Å; D203-E206 PolarHBondContact O-N 2.83Å; D203-E207 PolarHBondContact O-N 3.02Å
204	E	96.2	Very high	94.9	Very high	47 Å²	47	42 Å²	42	22%	0.22	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-38.2	175.4	-67.5	73.4	-166.1	0	0	111.6	L156 L201 A208	L156-E204 HydrophobicContact CD2-CG 4.03Å; L156-E204 WeakPolarHBondContact CD2-OE1 3.34Å; L201-E204 WeakPolarHBondContact CA-OE2 3.43Å; L201-E204 HydrophobicContact CB-CB 4.09Å; L201-E204 HydrophobicContact CB-CG 4.38Å; L201-E204 WeakPolarHBondContact CB-OE2 3.33Å; L201-E204 PolarHBondContact O-N 3.46Å; E204-A208 WeakPolarHBondContact O-CB 3.38Å; E204-A208 PolarHBondContact O-N 3.45Å
205	Y	94.6	Very high	95	Very high	16 Å²	16	45.3 Å²	45.3	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-50.4	174.4	162.5	-99.8	0	0	0	111.5	L193 L197 L201 D202 D203 E207 A208 R209 V240 T244 F249	L193-Y205 HydrophobicContact CD1-CD2 3.65Å; L193-Y205 HydrophobicContact CD1-CE2 4.49Å; L193-Y205 HydrophobicContact CD1-CG 4.43Å; L193-Y205 HydrophobicContact CD2-CD2 4.32Å; L193-Y205 HydrophobicContact CD2-CE2 4.39Å; L193-Y205 HydrophobicContact CG-CD2 3.97Å; L193-Y205 HydrophobicContact CG-CE2 4.42Å; L197-Y205 HydrophobicContact CD1-CD2 3.79Å; L197-Y205 HydrophobicContact CD1-CE2 3.81Å; L197-Y205 HydrophobicContact CD2-CD1 3.95Å; L197-Y205 HydrophobicContact CD2-CD2 3.52Å; L197-Y205 HydrophobicContact CD2-CE1 4.29Å; L197-Y205 HydrophobicContact CD2-CE2 3.91Å; L197-Y205 HydrophobicContact CD2-CG 3.55Å; L197-Y205 HydrophobicContact CG-CD2 3.58Å; L197-Y205 HydrophobicContact CG-CE2 4.08Å; L197-Y205 HydrophobicContact CG-CG 4.02Å; L201-Y205 WeakPolarHBondContact O-CB 3.44Å; L201-Y205 PolarHBondContact O-N 3.25Å; D202-Y205 PolarHBondContact O-N 2.98Å; D203-Y205 VanDerWaalsContact C-N 3.32Å; D203-Y205 PolarHBondContact O-N 3.15Å; Y205-E207 VanDerWaalsContact C-N 3.3Å; Y205-E207 PolarHBondContact O-N 2.72Å; Y205-A208 PolarHBondContact O-N 3.46Å; Y205-R209 HydrophobicContact CE2-CB 4.43Å; Y205-R209 WeakPolarHBondContact O-CB 3.34Å; Y205-R209 PolarHBondContact O-N 2.73Å; Y205-V240 HydrophobicContact CE2-CG1 4.02Å; Y205-T244 HydrophobicContact CE2-CG2 4.01Å; Y205-T244 WeakPolarHBondContact OH-CG2 2.94Å; Y205-F249 HydrophobicContact CE2-CE2 4.27Å; Y205-F249 HydrophobicContact CE2-CZ 4.12Å
206	E	95	Very high	95.1	Very high	88 Å²	88	45.6 Å²	45.6	41%	0.411	23%	0.231	S	C	.	.	H	α-helix	trans	-61.9	-39.5	-179.1	-78.1	-58.9	145	0	0	111.6	D202 D203 N210	D202-E206 WeakPolarHBondContact O-CG 3.34Å; D202-E206 PolarHBondContact O-N 3.42Å; D203-E206 PolarHBondContact O-N 2.83Å; E206-N210 WeakPolarHBondContact O-CB 3.48Å; E206-N210 PolarHBondContact O-N 3.22Å; E206-N210 PolarHBondContact O-ND2 3.39Å
207	E	97.5	Very high	95.1	Very high	69 Å²	69	49.7 Å²	49.7	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-46.9	175.5	-169.3	179.6	-153.3	0	0	112.5	K163 W167 D203 Y205 N210 E211	K163-E207 VanDerWaalsContact CE-CD 3.44Å; K163-E207 WeakPolarHBondContact CE-OE1 3.4Å; K163-E207 WeakPolarHBondContact CE-OE2 3.46Å; K163-E207 IonicContact NZ-OE1 3.84Å; K163-E207 PolarHBondContact NZ-OE1 2.6Å; K163-E207 IonicContact NZ-OE2 2.67Å; K163-E207 PolarHBondContact NZ-OE2 3.5Å; W167-E207 HydrophobicContact CH2-CG 4.3Å; W167-E207 HydrophobicContact CZ2-CG 3.88Å; D203-E207 PolarHBondContact O-N 3.02Å; Y205-E207 VanDerWaalsContact C-N 3.3Å; Y205-E207 PolarHBondContact O-N 2.72Å; E207-N210 PolarHBondContact O-N 3.4Å; E207-E211 PolarHBondContact O-N 2.99Å
208	A	97.7	Very high	95.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64	-41.1	176.7	0	0	0	0	0	112.2	W159 W167 L189 L193 E204 Y205 N210 E211 I212	W159-A208 HydrophobicContact CH2-CB 4.08Å; W159-A208 HydrophobicContact CZ2-CB 3.95Å; W167-A208 HydrophobicContact CH2-CB 4.14Å; L189-A208 HydrophobicContact CD1-CB 4.45Å; L189-A208 HydrophobicContact CD2-CB 3.92Å; L189-A208 HydrophobicContact CG-CB 4.08Å; L193-A208 HydrophobicContact CD1-CB 3.54Å; L193-A208 HydrophobicContact CD2-CB 4.5Å; E204-A208 WeakPolarHBondContact O-CB 3.38Å; E204-A208 PolarHBondContact O-N 3.45Å; Y205-A208 PolarHBondContact O-N 3.46Å; A208-N210 VanDerWaalsContact C-N 3.31Å; A208-N210 PolarHBondContact O-N 2.51Å; A208-E211 WeakPolarHBondContact O-CB 3.16Å; A208-E211 PolarHBondContact O-N 3.36Å; A208-I212 WeakPolarHBondContact O-CG1 3.43Å; A208-I212 PolarHBondContact O-N 3.32Å
209	R	97.4	Very high	95.6	Very high	61 Å²	61	51.3 Å²	51.3	23%	0.23	26%	0.262	C	S	.	.	H	α-helix	trans	-56.9	-46.2	174.3	-179	-170.4	-177	-81.5	-13.4	110.9	Y205 I212 A213 D246 L248 F249	Y205-R209 HydrophobicContact CE2-CB 4.43Å; Y205-R209 WeakPolarHBondContact O-CB 3.34Å; Y205-R209 PolarHBondContact O-N 2.73Å; R209-I212 PolarHBondContact O-N 3.18Å; R209-A213 WeakPolarHBondContact O-CB 3.25Å; R209-A213 PolarHBondContact O-N 2.9Å; R209-D246 IonicContact CZ-OD2 3.08Å; R209-D246 IonicContact NE-OD2 3.94Å; R209-D246 PolarHBondContact NE-OD2 3.05Å; R209-D246 IonicContact NH2-OD1 2.68Å; R209-D246 PolarHBondContact NH2-OD1 2.9Å; R209-D246 VanDerWaalsContact NH2-OD1 3.08Å; R209-D246 IonicContact NH2-OD2 2.63Å; R209-D246 PolarHBondContact NH2-OD2 3.47Å; R209-L248 HydrophobicContact CG-CD2 4.26Å; R209-F249 HydrophobicContact CB-CZ 4.27Å; R209-F249 HydrophobicContact CG-CE2 4.17Å; R209-F249 HydrophobicContact CG-CZ 3.95Å
210	N	98	Very high	95.7	Very high	91 Å²	91	52.5 Å²	52.5	49%	0.487	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-38.9	177.7	-73.4	-40.2	0	0	0	112.3	E206 E207 A208 A213 K214	E206-N210 WeakPolarHBondContact O-CB 3.48Å; E206-N210 PolarHBondContact O-N 3.22Å; E206-N210 PolarHBondContact O-ND2 3.39Å; E207-N210 PolarHBondContact O-N 3.4Å; A208-N210 VanDerWaalsContact C-N 3.31Å; A208-N210 PolarHBondContact O-N 2.51Å; N210-A213 PolarHBondContact O-N 3.01Å; N210-K214 WeakPolarHBondContact O-CB 3.42Å; N210-K214 PolarHBondContact O-N 2.9Å; N210-K214 VanDerWaalsContact O-N 3.11Å
211	E	98.1	Very high	96.1	Very high	33 Å²	33	56.9 Å²	56.9	15%	0.154	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-43.2	173.3	-177.6	61.6	-154.3	0	0	111.9	W167 L189 E207 A208 K214 N215	W167-E211 HydrophobicContact CZ2-CB 3.87Å; W167-E211 HydrophobicContact CZ2-CG 4.22Å; W167-E211 PolarHBondContact NE1-OE2 2.88Å; L189-E211 HydrophobicContact CD1-CB 4.11Å; L189-E211 HydrophobicContact CD1-CG 3.77Å; E207-E211 PolarHBondContact O-N 2.99Å; A208-E211 WeakPolarHBondContact O-CB 3.16Å; A208-E211 PolarHBondContact O-N 3.36Å; E211-K214 PolarHBondContact O-N 3.43Å; E211-N215 VanDerWaalsContact CD-ND2 3.3Å; E211-N215 WeakPolarHBondContact O-CB 3.41Å; E211-N215 PolarHBondContact O-N 2.82Å; E211-N215 WeakPolarHBondContact OE1-CB 3.49Å; E211-N215 PolarHBondContact OE1-ND2 3.37Å; E211-N215 PolarHBondContact OE2-ND2 2.72Å
212	I	98.2	Very high	96.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.4	-46.5	175.9	-71.4	169.2	0	0	0	110.8	L189 V190 L193 A208 R209 K214 F216 L248 F249	L189-I212 HydrophobicContact CD2-CD1 3.5Å; L189-I212 VanDerWaalsContact CD2-CD1 3.5Å; L189-I212 HydrophobicContact CD2-CG1 3.37Å; V190-I212 HydrophobicContact CG2-CD1 4Å; V190-I212 HydrophobicContact CG2-CG1 4.3Å; L193-I212 HydrophobicContact CD2-CD1 3.63Å; A208-I212 WeakPolarHBondContact O-CG1 3.43Å; A208-I212 PolarHBondContact O-N 3.32Å; R209-I212 PolarHBondContact O-N 3.18Å; I212-K214 PolarHBondContact O-N 2.83Å; I212-F216 HydrophobicContact CB-CB 4.21Å; I212-F216 HydrophobicContact CG2-CB 3.79Å; I212-F216 HydrophobicContact CG2-CG 4.21Å; I212-F216 WeakPolarHBondContact O-CB 3.4Å; I212-F216 PolarHBondContact O-N 3.32Å; I212-L248 HydrophobicContact CG2-CD2 4.5Å; I212-F249 HydrophobicContact CD1-CE1 3.77Å; I212-F249 HydrophobicContact CG2-CE1 4.45Å
213	A	97.8	Very high	96.5	Very high	47 Å²	47	61 Å²	61	39%	0.388	30%	0.301	S	S	.	.	H	α-helix	trans	-55.9	-41.1	178.9	0	0	0	0	0	111.3	R209 N210 L248	R209-A213 WeakPolarHBondContact O-CB 3.25Å; R209-A213 PolarHBondContact O-N 2.9Å; N210-A213 PolarHBondContact O-N 3.01Å; A213-L248 HydrophobicContact CB-CD1 4.42Å; A213-L248 HydrophobicContact CB-CD2 3.8Å
214	K	97.5	Very high	96.7	Very high	170 Å²	170	54.7 Å²	54.7	74%	0.739	27%	0.267	S	S	*	.	H	α-helix	trans	-82.2	-45.2	-176.1	-170.2	-178.4	175.6	179.5	0	113.9	N210 E211 I212	N210-K214 WeakPolarHBondContact O-CB 3.42Å; N210-K214 PolarHBondContact O-N 2.9Å; N210-K214 VanDerWaalsContact O-N 3.11Å; E211-K214 PolarHBondContact O-N 3.43Å; I212-K214 PolarHBondContact O-N 2.83Å
215	N	97.2	Very high	96.7	Very high	80 Å²	80	53.4 Å²	53.4	43%	0.428	26%	0.263	S	S	.	.	H	α-helix	trans	-124.3	-3.8	-161.1	-67.1	-38.1	0	0	0	114.5	Q186 E211 D217	Q186-N215 PolarHBondContact NE2-O 3.16Å; Q186-N215 VanDerWaalsContact NE2-O 3.15Å; E211-N215 VanDerWaalsContact CD-ND2 3.3Å; E211-N215 WeakPolarHBondContact O-CB 3.41Å; E211-N215 PolarHBondContact O-N 2.82Å; E211-N215 WeakPolarHBondContact OE1-CB 3.49Å; E211-N215 PolarHBondContact OE1-ND2 3.37Å; E211-N215 PolarHBondContact OE2-ND2 2.72Å; N215-D217 PolarHBondContact O-N 3.13Å
216	F	97.4	Very high	96.9	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.022	26%	0.261	C	S	.	.			trans	-81.2	100.7	176.8	-174	-88.9	0	0	0	110.4	L185 Q186 V190 I212 V218 V233 L237 K252	L185-F216 HydrophobicContact CB-CE2 4.18Å; L185-F216 WeakPolarHBondContact O-CD2 3.47Å; L185-F216 WeakPolarHBondContact O-CE2 3.18Å; Q186-F216 HydrophobicContact CB-CD2 4.48Å; Q186-F216 HydrophobicContact CG-CD2 4.32Å; V190-F216 HydrophobicContact CG2-CD2 3.83Å; V190-F216 HydrophobicContact CG2-CE2 3.65Å; I212-F216 HydrophobicContact CB-CB 4.21Å; I212-F216 HydrophobicContact CG2-CB 3.79Å; I212-F216 HydrophobicContact CG2-CG 4.21Å; I212-F216 WeakPolarHBondContact O-CB 3.4Å; I212-F216 PolarHBondContact O-N 3.32Å; F216-V218 HydrophobicContact CD1-CG1 4.22Å; F216-V218 HydrophobicContact CE1-CG1 3.42Å; F216-V218 VanDerWaalsContact CE1-CG1 3.42Å; F216-V218 HydrophobicContact CZ-CG1 4.02Å; F216-V233 HydrophobicContact CE2-CG1 3.93Å; F216-V233 HydrophobicContact CZ-CG1 3.71Å; F216-L237 HydrophobicContact CE1-CD1 4.05Å; F216-L237 HydrophobicContact CZ-CD1 3.93Å; F216-K252 HydrophobicContact CD1-CB 4.16Å; F216-K252 HydrophobicContact CD1-CD 3.91Å; F216-K252 HydrophobicContact CD1-CG 4.01Å; F216-K252 HydrophobicContact CE1-CB 4.01Å; F216-K252 HydrophobicContact CE1-CD 4.49Å; F216-K252 HydrophobicContact CE1-CG 4.37Å; F216-K252 PolarHBondContact O-NZ 3.43Å
217	D	95.6	Very high	97	Very high	86 Å²	86	49.8 Å²	49.8	46%	0.46	25%	0.247	S	C	.	.			trans	-114.9	116.2	176.8	-178.9	17.4	0	0	0	111.2	N215 N219	N215-D217 PolarHBondContact O-N 3.13Å; D217-N219 PolarHBondContact O-N 2.96Å; D217-N219 WeakPolarHBondContact OD1-CB 3.32Å; D217-N219 PolarHBondContact OD1-N 2.55Å
218	V	96.1	Very high	96.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-76.8	-6.2	176	-62.1	0	0	0	0	113	L185 F216 V220 Q255 L256 R259 L277	L185-V218 HydrophobicContact CD2-CG1 4.47Å; F216-V218 HydrophobicContact CD1-CG1 4.22Å; F216-V218 HydrophobicContact CE1-CG1 3.42Å; F216-V218 VanDerWaalsContact CE1-CG1 3.42Å; F216-V218 HydrophobicContact CZ-CG1 4.02Å; V218-V220 PolarHBondContact O-N 3.39Å; V218-V220 VanDerWaalsContact O-N 3.08Å; V218-Q255 HydrophobicContact CG2-CB 3.75Å; V218-L256 HydrophobicContact CB-CD1 4.46Å; V218-L256 HydrophobicContact CG1-CB 3.96Å; V218-L256 HydrophobicContact CG1-CD1 4.1Å; V218-R259 WeakPolarHBondContact O-CD 3.14Å; V218-L277 VanDerWaalsContact O-CB 3.22Å; V218-L277 WeakPolarHBondContact O-CB 3.48Å
219	N	96.3	Very high	97	Very high	52 Å²	52	48.6 Å²	48.6	28%	0.278	24%	0.241	S	C	.	.			trans	-83.8	41	-177.9	-166.3	33.3	0	0	0	114	D217 R259 R278	D217-N219 PolarHBondContact O-N 2.96Å; D217-N219 WeakPolarHBondContact OD1-CB 3.32Å; D217-N219 PolarHBondContact OD1-N 2.55Å; N219-R259 PolarHBondContact OD1-NH1 3.29Å; N219-R259 PolarHBondContact OD1-NH2 2.96Å; N219-R278 PolarHBondContact O-NE 2.83Å; N219-R278 PolarHBondContact O-NH2 2.88Å; N219-R278 WeakPolarHBondContact OD1-CG 3.16Å
220	V	94.8	Very high	97	Very high	26 Å²	26	45.7 Å²	45.7	16%	0.158	23%	0.23	C	C	.	.			trans	-79.3	135.5	178.9	-65.8	0	0	0	0	112.1	L185 V218 R222 L277 R278	L185-V220 HydrophobicContact CD2-CG2 4.3Å; V218-V220 PolarHBondContact O-N 3.39Å; V218-V220 VanDerWaalsContact O-N 3.08Å; V220-R222 PolarHBondContact O-N 3.23Å; V220-L277 HydrophobicContact CG2-CB 4.1Å; V220-L277 HydrophobicContact CG2-CD1 3.64Å; V220-L277 HydrophobicContact CG2-CG 4.21Å; V220-R278 WeakPolarHBondContact O-CB 3.25Å; V220-R278 PolarHBondContact O-N 2.96Å; V220-R278 VanDerWaalsContact O-N 3.08Å
221	N	96.5	Very high	97	Very high	104 Å²	104	43.5 Å²	43.5	56%	0.556	22%	0.218	S	C	*	.	S	Bend	trans	-85.5	63.4	175.3	-171.8	24.2	0	0	0	111.4	N276 R278	N221-N276 PolarHBondContact OD1-ND2 3.07Å; N221-N276 PolarHBondContact OD1-OD1 3.07Å; N221-R278 HydrophobicContact CB-CB 4.24Å
222	R	94.9	Very high	96.9	Very high	111 Å²	111	43.2 Å²	43.2	42%	0.419	22%	0.215	S	C	.	.	S	Bend	trans	-140.9	141.7	-178	-169.2	178	-76	-133.3	-0.8	109.9	V181 W182 V220 V224 N276	V181-R222 PolarHBondContact O-NH1 3.02Å; W182-R222 WeakPolarHBondContact O-CD 3.43Å; W182-R222 PolarHBondContact O-NH1 3.35Å; V220-R222 PolarHBondContact O-N 3.23Å; R222-V224 PolarHBondContact O-N 3.45Å; R222-N276 PolarHBondContact N-ND2 2.89Å; R222-N276 VanDerWaalsContact O-CA 3.26Å; R222-N276 WeakPolarHBondContact O-CA 3.49Å
223	F	96.6	Very high	97	Very high	61 Å²	61	43.2 Å²	43.2	27%	0.268	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	121.3	166.8	-77.4	-86.3	0	0	0	108.6	D274 V275 N276 K281 R283	F223-D274 HydrophobicContact CB-CB 4.32Å; F223-D274 HydrophobicContact CD1-CB 4.12Å; F223-V275 WeakPolarHBondContact CA-O 3.13Å; F223-N276 HydrophobicContact CD1-CB 3.98Å; F223-N276 HydrophobicContact CD2-CB 4.28Å; F223-N276 HydrophobicContact CE1-CB 3.95Å; F223-N276 HydrophobicContact CE2-CB 4.25Å; F223-N276 HydrophobicContact CG-CB 4.15Å; F223-N276 HydrophobicContact CZ-CB 4.09Å; F223-K281 HydrophobicContact CE1-CB 4.35Å; F223-K281 VanDerWaalsContact CE1-O 3.28Å; F223-K281 WeakPolarHBondContact CE1-O 3.21Å; F223-K281 HydrophobicContact CZ-CB 4.17Å; F223-R283 HydrophobicContact CD1-CG 3.9Å; F223-R283 HydrophobicContact CE1-CB 4.47Å; F223-R283 HydrophobicContact CE1-CG 3.68Å; F223-R283 HydrophobicContact CZ-CG 4.38Å
224	V	97.3	Very high	97	Very high	1 Å²	1	41 Å²	41	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	151.3	178	-54.4	0	0	0	0	109.5	F183 R222 L226 V229 D274 V275 L277	F183-V224 HydrophobicContact CB-CG1 3.92Å; F183-V224 HydrophobicContact CD1-CB 3.67Å; F183-V224 HydrophobicContact CD1-CG1 3.79Å; F183-V224 HydrophobicContact CE1-CB 4.28Å; F183-V224 HydrophobicContact CG-CB 4.34Å; F183-V224 HydrophobicContact CG-CG1 4.22Å; R222-V224 PolarHBondContact O-N 3.45Å; V224-L226 PolarHBondContact O-N 3.02Å; V224-V229 HydrophobicContact CB-CG2 3.75Å; V224-V229 HydrophobicContact CG2-CB 4.42Å; V224-V229 HydrophobicContact CG2-CG2 3.75Å; V224-D274 VanDerWaalsContact O-CA 3.31Å; V224-D274 WeakPolarHBondContact O-CA 3.09Å; V224-V275 HydrophobicContact CG2-CG1 4.27Å; V224-V275 WeakPolarHBondContact CG2-O 3.43Å; V224-V275 PolarHBondContact N-O 2.98Å; V224-V275 PolarHBondContact O-N 3.18Å; V224-L277 HydrophobicContact CG1-CD1 4.27Å; V224-L277 HydrophobicContact CG1-CG 4.38Å; V224-L277 HydrophobicContact CG2-CD1 3.97Å; V224-L277 HydrophobicContact CG2-CD2 3.65Å; V224-L277 HydrophobicContact CG2-CG 3.69Å
225	S	96.5	Very high	97	Very high	20 Å²	20	33.3 Å²	33.3	14%	0.14	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123.3	175	168.7	0	0	0	0	109.2	F227 E228 V229	S225-F227 PolarHBondContact O-N 3.13Å; S225-F227 PolarHBondContact OG-N 3.03Å; S225-E228 PolarHBondContact OG-N 2.81Å; S225-V229 VanDerWaalsContact O-CB 3.3Å; S225-V229 WeakPolarHBondContact O-CB 3.25Å; S225-V229 WeakPolarHBondContact O-CG2 3.4Å; S225-V229 PolarHBondContact O-N 3.3Å; S225-V229 VanDerWaalsContact O-N 3.13Å
226	L	97.8	Very high	97.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-56.2	-44	173.4	172.6	66.9	0	0	0	110	V224 T230 L260 A263 F264 P271 S273 I299 F303	V224-L226 PolarHBondContact O-N 3.02Å; L226-T230 WeakPolarHBondContact O-CB 3.23Å; L226-T230 PolarHBondContact O-N 2.79Å; L226-T230 VanDerWaalsContact O-N 3.09Å; L226-T230 PolarHBondContact O-OG1 3.03Å; L226-L260 HydrophobicContact CD1-CB 3.88Å; L226-L260 HydrophobicContact CD1-CD2 4.04Å; L226-L260 HydrophobicContact CD1-CG 4.38Å; L226-A263 HydrophobicContact CB-CB 4.4Å; L226-A263 HydrophobicContact CD1-CB 4.08Å; L226-A263 HydrophobicContact CD2-CB 3.75Å; L226-A263 HydrophobicContact CG-CB 4.3Å; L226-F264 HydrophobicContact CD1-CE2 4.37Å; L226-F264 HydrophobicContact CD2-CE2 4.27Å; L226-F264 HydrophobicContact CD2-CZ 4.34Å; L226-P271 HydrophobicContact CD2-CB 3.42Å; L226-P271 VanDerWaalsContact CD2-CB 3.42Å; L226-P271 HydrophobicContact CD2-CG 3.6Å; L226-S273 PolarHBondContact N-O 3.23Å; L226-I299 HydrophobicContact CD2-CD1 3.8Å; L226-I299 HydrophobicContact CG-CD1 4.27Å; L226-F303 HydrophobicContact CD1-CZ 4.29Å
227	F	97.2	Very high	97.1	Very high	27 Å²	27	29.4 Å²	29.4	12%	0.118	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-60.1	-176	175	-124.4	0	0	0	111.4	S225 V229 T230 I231 E295 T298 I299	S225-F227 PolarHBondContact O-N 3.13Å; S225-F227 PolarHBondContact OG-N 3.03Å; F227-V229 PolarHBondContact O-N 3.36Å; F227-T230 WeakPolarHBondContact O-CB 3.36Å; F227-T230 PolarHBondContact O-N 3.12Å; F227-T230 VanDerWaalsContact O-N 3.09Å; F227-I231 HydrophobicContact CD2-CD1 4.42Å; F227-I231 HydrophobicContact CD2-CG2 4.13Å; F227-I231 HydrophobicContact CE1-CD1 3.98Å; F227-I231 HydrophobicContact CE2-CD1 3.74Å; F227-I231 HydrophobicContact CE2-CG1 4.39Å; F227-I231 HydrophobicContact CE2-CG2 3.79Å; F227-I231 HydrophobicContact CZ-CD1 3.53Å; F227-I231 WeakPolarHBondContact O-CG1 3.39Å; F227-I231 PolarHBondContact O-N 2.84Å; F227-E295 HydrophobicContact CB-CB 4.09Å; F227-E295 HydrophobicContact CB-CG 3.93Å; F227-E295 HydrophobicContact CD1-CG 4.07Å; F227-E295 HydrophobicContact CG-CB 4.34Å; F227-E295 HydrophobicContact CG-CG 4.09Å; F227-T298 HydrophobicContact CE2-CG2 3.69Å; F227-T298 HydrophobicContact CZ-CG2 4.34Å; F227-I299 HydrophobicContact CD2-CG2 4.14Å
228	E	96.7	Very high	97.2	Very high	43 Å²	43	25.5 Å²	25.5	20%	0.201	13%	0.126	C	C	.	.	H	α-helix	trans	-62.8	-41.7	-175.1	-63.8	-68.7	164.2	0	0	112.1	W182 F183 S225 T230 R232	W182-E228 HydrophobicContact CH2-CG 3.92Å; W182-E228 HydrophobicContact CZ2-CG 4.48Å; F183-E228 HydrophobicContact CE2-CB 4.01Å; F183-E228 HydrophobicContact CZ-CB 3.55Å; F183-E228 HydrophobicContact CZ-CG 4.28Å; S225-E228 PolarHBondContact OG-N 2.81Å; E228-T230 VanDerWaalsContact C-N 3.28Å; E228-T230 PolarHBondContact O-N 2.78Å; E228-R232 VanDerWaalsContact O-CB 3.28Å; E228-R232 WeakPolarHBondContact O-CB 3.2Å; E228-R232 WeakPolarHBondContact O-CG 3.42Å; E228-R232 PolarHBondContact O-N 3.09Å; E228-R232 IonicContact OE2-CZ 3.23Å; E228-R232 IonicContact OE2-NE 2.78Å; E228-R232 PolarHBondContact OE2-NE 2.74Å; E228-R232 IonicContact OE2-NH2 3.82Å
229	V	98.3	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	I	π-helix	trans	-68.7	-30.9	178.4	174.8	0	0	0	0	111.4	F183 L185 V224 S225 F227 V233 L234 L256 L260	F183-V229 HydrophobicContact CB-CG2 4.47Å; F183-V229 HydrophobicContact CD1-CG2 3.96Å; F183-V229 HydrophobicContact CD2-CG2 3.79Å; F183-V229 HydrophobicContact CE1-CG2 4.13Å; F183-V229 HydrophobicContact CE2-CG2 3.96Å; F183-V229 HydrophobicContact CG-CG2 3.8Å; F183-V229 HydrophobicContact CZ-CG2 4.14Å; L185-V229 HydrophobicContact CD1-CG1 3.78Å; L185-V229 HydrophobicContact CD1-CG2 4.11Å; V224-V229 HydrophobicContact CB-CG2 3.75Å; V224-V229 HydrophobicContact CG2-CB 4.42Å; V224-V229 HydrophobicContact CG2-CG2 3.75Å; S225-V229 VanDerWaalsContact O-CB 3.3Å; S225-V229 WeakPolarHBondContact O-CB 3.25Å; S225-V229 WeakPolarHBondContact O-CG2 3.4Å; S225-V229 PolarHBondContact O-N 3.3Å; S225-V229 VanDerWaalsContact O-N 3.13Å; F227-V229 PolarHBondContact O-N 3.36Å; V229-V233 HydrophobicContact CG1-CB 4.22Å; V229-V233 HydrophobicContact CG1-CG2 4.37Å; V229-V233 WeakPolarHBondContact O-CA 3.25Å; V229-V233 WeakPolarHBondContact O-CB 3.26Å; V229-V233 PolarHBondContact O-N 3.39Å; V229-V233 VanDerWaalsContact O-N 3.14Å; V229-L234 PolarHBondContact O-N 3.14Å; V229-L256 HydrophobicContact CG1-CD1 3.81Å; V229-L256 HydrophobicContact CG1-CD2 3.97Å; V229-L256 HydrophobicContact CG1-CG 4.28Å; V229-L260 HydrophobicContact CB-CD2 4.39Å; V229-L260 HydrophobicContact CG1-CD1 4.31Å; V229-L260 HydrophobicContact CG1-CD2 4.04Å
230	T	98.5	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	I	π-helix	trans	-69.2	-57.7	175.4	-60.5	0	0	0	0	110.8	L226 F227 E228 R232 L234 G235 I299 E302 F303	L226-T230 WeakPolarHBondContact O-CB 3.23Å; L226-T230 PolarHBondContact O-N 2.79Å; L226-T230 VanDerWaalsContact O-N 3.09Å; L226-T230 PolarHBondContact O-OG1 3.03Å; F227-T230 WeakPolarHBondContact O-CB 3.36Å; F227-T230 PolarHBondContact O-N 3.12Å; F227-T230 VanDerWaalsContact O-N 3.09Å; E228-T230 VanDerWaalsContact C-N 3.28Å; E228-T230 PolarHBondContact O-N 2.78Å; T230-R232 PolarHBondContact O-N 2.99Å; T230-L234 HydrophobicContact CG2-CD2 4.3Å; T230-L234 WeakPolarHBondContact O-CB 3.49Å; T230-L234 PolarHBondContact O-N 2.95Å; T230-G235 PolarHBondContact O-N 3Å; T230-I299 HydrophobicContact CG2-CB 3.78Å; T230-I299 HydrophobicContact CG2-CG2 3.78Å; T230-E302 HydrophobicContact CG2-CB 3.69Å; T230-E302 HydrophobicContact CG2-CG 3.84Å; T230-F303 HydrophobicContact CG2-CD2 3.84Å; T230-F303 HydrophobicContact CG2-CE2 3.74Å
231	I	97.1	Very high	96.8	Very high	45 Å²	45	25.4 Å²	25.4	23%	0.231	13%	0.125	C	C	.	.	I	π-helix	trans	-70.2	-33.5	-171.4	63.8	171.7	0	0	0	112.7	F227 T298	F227-I231 HydrophobicContact CD2-CD1 4.42Å; F227-I231 HydrophobicContact CD2-CG2 4.13Å; F227-I231 HydrophobicContact CE1-CD1 3.98Å; F227-I231 HydrophobicContact CE2-CD1 3.74Å; F227-I231 HydrophobicContact CE2-CG1 4.39Å; F227-I231 HydrophobicContact CE2-CG2 3.79Å; F227-I231 HydrophobicContact CZ-CD1 3.53Å; F227-I231 WeakPolarHBondContact O-CG1 3.39Å; F227-I231 PolarHBondContact O-N 2.84Å; I231-T298 HydrophobicContact CG2-CG2 4.29Å; I231-T298 WeakPolarHBondContact CG2-O 3.43Å
232	R	97.4	Very high	96	Very high	27 Å²	27	22.8 Å²	22.8	10%	0.102	11%	0.109	C	C	.	.	I	π-helix	trans	-90.6	-52.9	-177.8	-56.8	-175.2	176.7	-75.2	-8.5	112.8	L187 D191 E228 T230 G236 S554 E559	L187-R232 HydrophobicContact CD1-CB 3.63Å; L187-R232 HydrophobicContact CD1-CG 4.33Å; D191-R232 IonicContact OD2-NH1 3.44Å; D191-R232 PolarHBondContact OD2-NH1 3.04Å; E228-R232 VanDerWaalsContact O-CB 3.28Å; E228-R232 WeakPolarHBondContact O-CB 3.2Å; E228-R232 WeakPolarHBondContact O-CG 3.42Å; E228-R232 PolarHBondContact O-N 3.09Å; E228-R232 IonicContact OE2-CZ 3.23Å; E228-R232 IonicContact OE2-NE 2.78Å; E228-R232 PolarHBondContact OE2-NE 2.74Å; E228-R232 IonicContact OE2-NH2 3.82Å; T230-R232 PolarHBondContact O-N 2.99Å; R232-G236 PolarHBondContact O-N 3.03Å; R232-G236 VanDerWaalsContact O-N 3.07Å; R232-S554 PolarHBondContact NH1-OG 3.49Å; R232-E559 IonicContact CZ-OE1 2.75Å; R232-E559 IonicContact NH1-OE1 3.09Å; R232-E559 PolarHBondContact NH1-OE1 3.38Å; R232-E559 IonicContact NH2-OE1 3.83Å
233	V	98.5	Very high	95.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-88.1	-53.3	-170.8	-170.3	0	0	0	0	111	L185 L187 V190 F216 V229 G236 L237 L256	L185-V233 HydrophobicContact CB-CG1 4.48Å; L185-V233 HydrophobicContact CB-CG2 4.46Å; L185-V233 HydrophobicContact CD1-CG1 4.48Å; L185-V233 HydrophobicContact CD1-CG2 4.39Å; L187-V233 HydrophobicContact CD1-CG2 3.76Å; V190-V233 HydrophobicContact CG1-CG1 4.06Å; F216-V233 HydrophobicContact CE2-CG1 3.93Å; F216-V233 HydrophobicContact CZ-CG1 3.71Å; V229-V233 HydrophobicContact CG1-CB 4.22Å; V229-V233 HydrophobicContact CG1-CG2 4.37Å; V229-V233 WeakPolarHBondContact O-CA 3.25Å; V229-V233 WeakPolarHBondContact O-CB 3.26Å; V229-V233 PolarHBondContact O-N 3.39Å; V229-V233 VanDerWaalsContact O-N 3.14Å; V233-G236 PolarHBondContact O-N 3.25Å; V233-L237 HydrophobicContact CG1-CD1 4.28Å; V233-L237 VanDerWaalsContact O-CG 3.24Å; V233-L237 WeakPolarHBondContact O-CG 3.37Å; V233-L237 PolarHBondContact O-N 3.05Å; V233-L256 HydrophobicContact CB-CD2 3.96Å; V233-L256 HydrophobicContact CG1-CD2 3.65Å
234	L	98.8	Very high	94.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-64.6	-43.6	177.3	-178.3	61.6	0	0	0	110.6	V229 T230 L237 L238 A253 L256 L260 E302 F303 L306	V229-L234 PolarHBondContact O-N 3.14Å; T230-L234 HydrophobicContact CG2-CD2 4.3Å; T230-L234 WeakPolarHBondContact O-CB 3.49Å; T230-L234 PolarHBondContact O-N 2.95Å; L234-L237 PolarHBondContact O-N 3.06Å; L234-L238 HydrophobicContact CD1-CD1 4.01Å; L234-L238 HydrophobicContact CD1-CG 4.14Å; L234-L238 HydrophobicContact CG-CD1 3.81Å; L234-L238 HydrophobicContact CG-CG 4.39Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 WeakPolarHBondContact O-CD1 3.15Å; L234-L238 WeakPolarHBondContact O-CG 3.37Å; L234-L238 PolarHBondContact O-N 2.85Å; L234-A253 HydrophobicContact CD1-CB 3.72Å; L234-A253 WeakPolarHBondContact CD1-O 3.45Å; L234-L256 HydrophobicContact CB-CD2 4.03Å; L234-L260 HydrophobicContact CD2-CD1 4.46Å; L234-E302 HydrophobicContact CD2-CB 3.96Å; L234-E302 HydrophobicContact CG-CB 4.13Å; L234-F303 HydrophobicContact CD2-CD2 4.3Å; L234-F303 HydrophobicContact CD2-CE2 4.31Å; L234-L306 HydrophobicContact CD1-CD2 4.29Å; L234-L306 HydrophobicContact CD2-CD2 4.41Å
235	G	98.1	Very high	93.9	Very high	10 Å²	10	18.8 Å²	18.8	10%	0.103	11%	0.106	C	C	.	.	H	α-helix	trans	-56.8	-47.9	173.2	0	0	0	0	0	112.9	T230 L238 T239	T230-G235 PolarHBondContact O-N 3Å; G235-L238 PolarHBondContact O-N 2.95Å; G235-T239 WeakPolarHBondContact O-CB 3.39Å; G235-T239 PolarHBondContact O-N 3.37Å; G235-T239 PolarHBondContact O-OG1 3.14Å
236	G	98	Very high	93.5	Very high	3 Å²	3	19.3 Å²	19.3	3%	0.031	11%	0.107	C	C	.	.	H	α-helix	trans	-60.1	-49.3	176.5	0	0	0	0	0	112.9	R232 V233 L238 T239 V240	R232-G236 PolarHBondContact O-N 3.03Å; R232-G236 VanDerWaalsContact O-N 3.07Å; V233-G236 PolarHBondContact O-N 3.25Å; G236-L238 PolarHBondContact O-N 3.18Å; G236-T239 PolarHBondContact O-N 3.33Å; G236-V240 VanDerWaalsContact O-CG2 3.31Å; G236-V240 WeakPolarHBondContact O-CG2 3.39Å; G236-V240 PolarHBondContact O-N 2.79Å
237	L	98.6	Very high	93.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60	-44.6	178.2	-67.6	170.6	0	0	0	112.3	V190 F216 V233 L234 Y241 F249 K252 A253 L256	V190-L237 HydrophobicContact CG1-CD2 3.97Å; V190-L237 HydrophobicContact CG1-CG 3.9Å; F216-L237 HydrophobicContact CE1-CD1 4.05Å; F216-L237 HydrophobicContact CZ-CD1 3.93Å; V233-L237 HydrophobicContact CG1-CD1 4.28Å; V233-L237 VanDerWaalsContact O-CG 3.24Å; V233-L237 WeakPolarHBondContact O-CG 3.37Å; V233-L237 PolarHBondContact O-N 3.05Å; L234-L237 PolarHBondContact O-N 3.06Å; L237-Y241 PolarHBondContact O-N 3.4Å; L237-Y241 VanDerWaalsContact O-N 3.07Å; L237-F249 HydrophobicContact CD2-CD1 3.9Å; L237-F249 WeakPolarHBondContact O-CB 3.14Å; L237-K252 HydrophobicContact CD1-CB 3.98Å; L237-K252 HydrophobicContact CD2-CB 4.11Å; L237-A253 HydrophobicContact CB-CB 3.95Å; L237-A253 HydrophobicContact CD1-CB 4.42Å; L237-L256 HydrophobicContact CD1-CD2 4.22Å
238	L	97.5	Very high	93.2	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-65.7	-40.8	178.7	-69.5	168.5	0	0	0	111.7	L234 G235 G236 Y241 H242 A253 E302 E305 L306 L309	L234-L238 HydrophobicContact CD1-CD1 4.01Å; L234-L238 HydrophobicContact CD1-CG 4.14Å; L234-L238 HydrophobicContact CG-CD1 3.81Å; L234-L238 HydrophobicContact CG-CG 4.39Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 WeakPolarHBondContact O-CD1 3.15Å; L234-L238 WeakPolarHBondContact O-CG 3.37Å; L234-L238 PolarHBondContact O-N 2.85Å; G235-L238 PolarHBondContact O-N 2.95Å; G236-L238 PolarHBondContact O-N 3.18Å; L238-Y241 PolarHBondContact O-N 3.06Å; L238-H242 PolarHBondContact O-CD2 3.29Å; L238-H242 PolarHBondContact O-N 3.44Å; L238-A253 HydrophobicContact CD2-CB 3.93Å; L238-A253 HydrophobicContact CG-CB 4.2Å; L238-E302 HydrophobicContact CD1-CB 4.05Å; L238-E302 VanDerWaalsContact CD1-O 3.3Å; L238-E302 WeakPolarHBondContact CD1-O 3.24Å; L238-E305 HydrophobicContact CD1-CB 4.34Å; L238-L306 HydrophobicContact CD1-CB 4.43Å; L238-L306 HydrophobicContact CD2-CB 4.31Å; L238-L306 HydrophobicContact CD2-CD1 4.15Å; L238-L309 HydrophobicContact CD2-CD1 3.81Å
239	T	93.5	Very high	93.2	Very high	49 Å²	49	24.3 Å²	24.3	30%	0.301	13%	0.132	S	C	.	.	H	α-helix	trans	-66.8	-43.8	179.5	-57	0	0	0	0	111.2	D194 G235 G236 Y241 H242 L243	D194-T239 HydrophobicContact CB-CG2 3.76Å; G235-T239 WeakPolarHBondContact O-CB 3.39Å; G235-T239 PolarHBondContact O-N 3.37Å; G235-T239 PolarHBondContact O-OG1 3.14Å; G236-T239 PolarHBondContact O-N 3.33Å; T239-Y241 VanDerWaalsContact C-N 3.34Å; T239-Y241 PolarHBondContact O-N 3.39Å; T239-H242 WeakPolarHBondContact O-CB 3.44Å; T239-H242 PolarHBondContact O-N 3.47Å; T239-L243 HydrophobicContact CG2-CD1 4.28Å; T239-L243 WeakPolarHBondContact O-CG 3.23Å; T239-L243 PolarHBondContact O-N 3.45Å
240	V	93.5	Very high	93.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-43.6	176	176.2	0	0	0	0	110.8	L193 D194 L197 Y205 G236 H242 L243 T244 F249	L193-V240 HydrophobicContact CB-CG2 3.95Å; L193-V240 HydrophobicContact CD2-CG1 4.27Å; L193-V240 HydrophobicContact CD2-CG2 4.08Å; L193-V240 HydrophobicContact CG-CG2 3.94Å; D194-V240 HydrophobicContact CB-CG2 4.12Å; L197-V240 HydrophobicContact CD1-CG1 3.96Å; L197-V240 HydrophobicContact CD1-CG2 4.35Å; Y205-V240 HydrophobicContact CE2-CG1 4.02Å; G236-V240 VanDerWaalsContact O-CG2 3.31Å; G236-V240 WeakPolarHBondContact O-CG2 3.39Å; G236-V240 PolarHBondContact O-N 2.79Å; V240-H242 VanDerWaalsContact C-N 3.26Å; V240-H242 PolarHBondContact O-N 3.1Å; V240-L243 PolarHBondContact O-N 3.18Å; V240-L243 VanDerWaalsContact O-N 3.11Å; V240-T244 HydrophobicContact CG1-CG2 4.18Å; V240-T244 WeakPolarHBondContact O-CG2 3.42Å; V240-T244 PolarHBondContact O-N 3.37Å; V240-T244 PolarHBondContact O-OG1 2.8Å; V240-F249 HydrophobicContact CB-CD1 4.04Å; V240-F249 HydrophobicContact CB-CD2 4.45Å; V240-F249 HydrophobicContact CB-CE1 4.25Å; V240-F249 HydrophobicContact CB-CG 4.15Å; V240-F249 HydrophobicContact CG1-CD1 3.74Å; V240-F249 HydrophobicContact CG1-CD2 3.57Å; V240-F249 HydrophobicContact CG1-CE1 3.62Å; V240-F249 HydrophobicContact CG1-CE2 3.44Å; V240-F249 VanDerWaalsContact CG1-CE2 3.44Å; V240-F249 HydrophobicContact CG1-CG 3.72Å; V240-F249 HydrophobicContact CG1-CZ 3.46Å; V240-F249 VanDerWaalsContact CG1-CZ 3.46Å
241	Y	90.9	Very high	93.1	Very high	25 Å²	25	30.6 Å²	30.6	10%	0.098	16%	0.162	C	C	.	.	H	α-helix	trans	-56.1	-40.2	172.7	173.4	-99.7	0	0	0	112.4	L135 L237 L238 T239 G245 D246 L250 L309	L135-Y241 HydrophobicContact CD2-CE1 3.91Å; L237-Y241 PolarHBondContact O-N 3.4Å; L237-Y241 VanDerWaalsContact O-N 3.07Å; L238-Y241 PolarHBondContact O-N 3.06Å; T239-Y241 VanDerWaalsContact C-N 3.34Å; T239-Y241 PolarHBondContact O-N 3.39Å; Y241-G245 VanDerWaalsContact O-CA 3.27Å; Y241-G245 WeakPolarHBondContact O-CA 3.44Å; Y241-G245 PolarHBondContact O-N 3.45Å; Y241-D246 WeakPolarHBondContact CD2-O 3.46Å; Y241-L250 HydrophobicContact CD2-CB 3.6Å; Y241-L250 HydrophobicContact CE1-CD2 4.26Å; Y241-L250 HydrophobicContact CE2-CB 3.79Å; Y241-L250 HydrophobicContact CE2-CD2 3.95Å; Y241-L250 HydrophobicContact CE2-CG 4.5Å; Y241-L250 HydrophobicContact CG-CB 3.97Å; Y241-L309 HydrophobicContact CD1-CD1 3.5Å; Y241-L309 VanDerWaalsContact CD1-CD1 3.5Å; Y241-L309 HydrophobicContact CD1-CD2 4.26Å; Y241-L309 HydrophobicContact CD1-CG 4.46Å; Y241-L309 HydrophobicContact CE1-CD1 3.68Å; Y241-L309 HydrophobicContact CE1-CD2 3.62Å; Y241-L309 HydrophobicContact CE1-CG 4.18Å
242	H	79.9	Confident	93.2	Very high	48 Å²	48	29.8 Å²	29.8	22%	0.222	16%	0.157	C	C	.	.	H	α-helix	trans	-65.6	-36.4	176.7	-81.2	-53.6	0	0	0	114.1	F136 L238 T239 V240 E305 R308	F136-H242 VanDerWaalsContact O-O 3.09Å; L238-H242 PolarHBondContact O-CD2 3.29Å; L238-H242 PolarHBondContact O-N 3.44Å; T239-H242 WeakPolarHBondContact O-CB 3.44Å; T239-H242 PolarHBondContact O-N 3.47Å; V240-H242 VanDerWaalsContact C-N 3.26Å; V240-H242 PolarHBondContact O-N 3.1Å; H242-E305 IonicContact CE1-OE1 3.26Å; H242-E305 PolarHBondContact CE1-OE1 2.99Å; H242-E305 VanDerWaalsContact NE2-CD 3.28Å; H242-E305 VanDerWaalsContact NE2-CG 3.31Å; H242-E305 WeakPolarHBondContact NE2-CG 3.18Å; H242-E305 IonicContact NE2-OE1 3.57Å; H242-E305 PolarHBondContact NE2-OE1 3.17Å; H242-R308 PolarHBondContact CE1-NH2 2.82Å; H242-R308 VanDerWaalsContact CE1-NH2 3.33Å
243	L	80.1	Confident	93.2	Very high	13 Å²	13	28.5 Å²	28.5	7%	0.068	15%	0.152	C	C	.	.	H	α-helix	trans	-78.5	-30.2	-178.3	-65.6	177.1	0	0	0	112.3	Y138 D194 L197 I198 T239 V240 F575	Y138-L243 HydrophobicContact CD1-CD2 4.5Å; Y138-L243 HydrophobicContact CD2-CD2 4.47Å; Y138-L243 HydrophobicContact CG-CD2 4.09Å; D194-L243 HydrophobicContact CB-CD1 4.15Å; L197-L243 HydrophobicContact CB-CD1 4.16Å; L197-L243 HydrophobicContact CD1-CB 4.14Å; L197-L243 HydrophobicContact CD1-CD1 4.18Å; I198-L243 HydrophobicContact CG1-CD1 4.31Å; T239-L243 HydrophobicContact CG2-CD1 4.28Å; T239-L243 WeakPolarHBondContact O-CG 3.23Å; T239-L243 PolarHBondContact O-N 3.45Å; V240-L243 PolarHBondContact O-N 3.18Å; V240-L243 VanDerWaalsContact O-N 3.11Å; L243-F575 HydrophobicContact CD2-CE1 4.17Å; L243-F575 HydrophobicContact CD2-CZ 4.03Å
244	T	82.7	Confident	93.2	Very high	51 Å²	51	33.1 Å²	33.1	31%	0.313	17%	0.172	S	C	.	.	H	α-helix	trans	-115.1	-24.5	-169.7	69	0	0	0	0	114.3	L197 Y205 V240 D246	L197-T244 HydrophobicContact CD1-CG2 3.52Å; L197-T244 HydrophobicContact CD2-CG2 3.99Å; L197-T244 HydrophobicContact CG-CG2 4.43Å; Y205-T244 HydrophobicContact CE2-CG2 4.01Å; Y205-T244 WeakPolarHBondContact OH-CG2 2.94Å; V240-T244 HydrophobicContact CG1-CG2 4.18Å; V240-T244 WeakPolarHBondContact O-CG2 3.42Å; V240-T244 PolarHBondContact O-N 3.37Å; V240-T244 PolarHBondContact O-OG1 2.8Å; T244-D246 PolarHBondContact O-N 2.8Å; T244-D246 WeakPolarHBondContact OG1-CB 3.4Å; T244-D246 PolarHBondContact OG1-N 3.26Å
245	G	82.1	Confident	93.2	Very high	25 Å²	25	36 Å²	36	26%	0.258	19%	0.186	S	C	.	.			trans	70.3	6.9	-170.5	0	0	0	0	0	114.7	Y241 E247	Y241-G245 VanDerWaalsContact O-CA 3.27Å; Y241-G245 WeakPolarHBondContact O-CA 3.44Å; Y241-G245 PolarHBondContact O-N 3.45Å; G245-E247 PolarHBondContact O-N 3.39Å
246	D	87.3	Confident	93.2	Very high	31 Å²	31	35.5 Å²	35.5	17%	0.166	18%	0.181	C	C	.	.			trans	-74.4	112.4	-176.7	174.5	18.8	0	0	0	112.3	R209 Y241 T244 L248 F249	R209-D246 IonicContact CZ-OD2 3.08Å; R209-D246 IonicContact NE-OD2 3.94Å; R209-D246 PolarHBondContact NE-OD2 3.05Å; R209-D246 IonicContact NH2-OD1 2.68Å; R209-D246 PolarHBondContact NH2-OD1 2.9Å; R209-D246 VanDerWaalsContact NH2-OD1 3.08Å; R209-D246 IonicContact NH2-OD2 2.63Å; R209-D246 PolarHBondContact NH2-OD2 3.47Å; Y241-D246 WeakPolarHBondContact CD2-O 3.46Å; T244-D246 PolarHBondContact O-N 2.8Å; T244-D246 WeakPolarHBondContact OG1-CB 3.4Å; T244-D246 PolarHBondContact OG1-N 3.26Å; D246-L248 PolarHBondContact O-N 3.46Å; D246-L248 WeakPolarHBondContact OD1-CB 3.48Å; D246-L248 PolarHBondContact OD1-N 2.88Å; D246-L248 VanDerWaalsContact OD1-N 3.15Å; D246-F249 HydrophobicContact CB-CD2 3.85Å; D246-F249 HydrophobicContact CB-CE2 4.08Å; D246-F249 PolarHBondContact O-N 2.93Å; D246-F249 VanDerWaalsContact O-N 3.13Å; D246-F249 WeakPolarHBondContact OD2-CD2 3.45Å; D246-F249 WeakPolarHBondContact OD2-CE2 3.41Å
247	E	92.7	Very high	93.2	Very high	149 Å²	149	35.4 Å²	35.4	70%	0.696	18%	0.179	S	C	*	.	H	α-helix	trans	-58.2	-22.9	-175.8	-64.9	-165.7	160.7	0	0	114	G245 F249 L250 E251	G245-E247 PolarHBondContact O-N 3.39Å; E247-F249 PolarHBondContact O-N 2.9Å; E247-L250 PolarHBondContact O-N 2.96Å; E247-E251 PolarHBondContact O-N 3.19Å
248	L	96.6	Very high	93.2	Very high	28 Å²	28	38.8 Å²	38.8	15%	0.147	20%	0.197	C	C	.	.	H	α-helix	trans	-50.3	-48.4	174	173.3	66.2	0	0	0	111	R209 I212 A213 D246 E251 K252	R209-L248 HydrophobicContact CG-CD2 4.26Å; I212-L248 HydrophobicContact CG2-CD2 4.5Å; A213-L248 HydrophobicContact CB-CD1 4.42Å; A213-L248 HydrophobicContact CB-CD2 3.8Å; D246-L248 PolarHBondContact O-N 3.46Å; D246-L248 WeakPolarHBondContact OD1-CB 3.48Å; D246-L248 PolarHBondContact OD1-N 2.88Å; D246-L248 VanDerWaalsContact OD1-N 3.15Å; L248-E251 WeakPolarHBondContact O-CB 3.48Å; L248-E251 PolarHBondContact O-N 2.85Å; L248-K252 HydrophobicContact CD1-CG 4.41Å; L248-K252 WeakPolarHBondContact O-CG 3.35Å; L248-K252 PolarHBondContact O-N 3.19Å
249	F	97.1	Very high	93.3	Very high	1 Å²	1	42 Å²	42	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-70	-38	-175.5	-63.7	-80	0	0	0	112.1	L193 Y205 R209 I212 L237 V240 D246 E247 E251 K252 A253	L193-F249 HydrophobicContact CD2-CE1 3.61Å; L193-F249 HydrophobicContact CD2-CZ 3.8Å; Y205-F249 HydrophobicContact CE2-CE2 4.27Å; Y205-F249 HydrophobicContact CE2-CZ 4.12Å; R209-F249 HydrophobicContact CB-CZ 4.27Å; R209-F249 HydrophobicContact CG-CE2 4.17Å; R209-F249 HydrophobicContact CG-CZ 3.95Å; I212-F249 HydrophobicContact CD1-CE1 3.77Å; I212-F249 HydrophobicContact CG2-CE1 4.45Å; L237-F249 HydrophobicContact CD2-CD1 3.9Å; L237-F249 WeakPolarHBondContact O-CB 3.14Å; V240-F249 HydrophobicContact CB-CD1 4.04Å; V240-F249 HydrophobicContact CB-CD2 4.45Å; V240-F249 HydrophobicContact CB-CE1 4.25Å; V240-F249 HydrophobicContact CB-CG 4.15Å; V240-F249 HydrophobicContact CG1-CD1 3.74Å; V240-F249 HydrophobicContact CG1-CD2 3.57Å; V240-F249 HydrophobicContact CG1-CE1 3.62Å; V240-F249 HydrophobicContact CG1-CE2 3.44Å; V240-F249 VanDerWaalsContact CG1-CE2 3.44Å; V240-F249 HydrophobicContact CG1-CG 3.72Å; V240-F249 HydrophobicContact CG1-CZ 3.46Å; V240-F249 VanDerWaalsContact CG1-CZ 3.46Å; D246-F249 HydrophobicContact CB-CD2 3.85Å; D246-F249 HydrophobicContact CB-CE2 4.08Å; D246-F249 PolarHBondContact O-N 2.93Å; D246-F249 VanDerWaalsContact O-N 3.13Å; D246-F249 WeakPolarHBondContact OD2-CD2 3.45Å; D246-F249 WeakPolarHBondContact OD2-CE2 3.41Å; E247-F249 PolarHBondContact O-N 2.9Å; F249-E251 VanDerWaalsContact C-N 3.34Å; F249-K252 PolarHBondContact O-N 3.42Å; F249-A253 VanDerWaalsContact O-CB 3.24Å; F249-A253 WeakPolarHBondContact O-CB 3.37Å; F249-A253 PolarHBondContact O-N 2.77Å
250	L	96.5	Very high	93.5	Very high	27 Å²	27	39.7 Å²	39.7	14%	0.141	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-38.7	173.8	178.2	57.7	0	0	0	111.6	Y241 E247 A253 K254 L306 L309 T310	Y241-L250 HydrophobicContact CD2-CB 3.6Å; Y241-L250 HydrophobicContact CE1-CD2 4.26Å; Y241-L250 HydrophobicContact CE2-CB 3.79Å; Y241-L250 HydrophobicContact CE2-CD2 3.95Å; Y241-L250 HydrophobicContact CE2-CG 4.5Å; Y241-L250 HydrophobicContact CG-CB 3.97Å; E247-L250 PolarHBondContact O-N 2.96Å; L250-A253 PolarHBondContact O-N 3.17Å; L250-K254 WeakPolarHBondContact O-CB 3.41Å; L250-K254 PolarHBondContact O-N 3.45Å; L250-L306 HydrophobicContact CD1-CD1 4.43Å; L250-L309 HydrophobicContact CD1-CB 3.61Å; L250-L309 HydrophobicContact CD1-CD1 3.99Å; L250-L309 HydrophobicContact CD1-CG 4.47Å; L250-L309 HydrophobicContact CD2-CB 4.24Å; L250-T310 HydrophobicContact CD1-CG2 4.13Å
251	E	97.9	Very high	93.8	Very high	105 Å²	105	41 Å²	41	49%	0.491	20%	0.202	S	C	.	.	H	α-helix	trans	-60.6	-50.1	174.8	-166.9	-165.7	154.3	0	0	110.8	E247 L248 F249 A253 K254 Q255	E247-E251 PolarHBondContact O-N 3.19Å; L248-E251 WeakPolarHBondContact O-CB 3.48Å; L248-E251 PolarHBondContact O-N 2.85Å; F249-E251 VanDerWaalsContact C-N 3.34Å; E251-A253 PolarHBondContact O-N 3.49Å; E251-K254 PolarHBondContact O-N 3.4Å; E251-Q255 WeakPolarHBondContact O-CG 3.46Å; E251-Q255 PolarHBondContact O-N 3.22Å; E251-Q255 PolarHBondContact OE1-NE2 2.93Å
252	K	98.3	Very high	94.1	Very high	27 Å²	27	40.7 Å²	40.7	12%	0.117	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-42.3	177.4	-63.3	-52	-172.1	164.3	0	112.1	F216 L237 L248 F249 K254 Q255 L256	F216-K252 HydrophobicContact CD1-CB 4.16Å; F216-K252 HydrophobicContact CD1-CD 3.91Å; F216-K252 HydrophobicContact CD1-CG 4.01Å; F216-K252 HydrophobicContact CE1-CB 4.01Å; F216-K252 HydrophobicContact CE1-CD 4.49Å; F216-K252 HydrophobicContact CE1-CG 4.37Å; F216-K252 PolarHBondContact O-NZ 3.43Å; L237-K252 HydrophobicContact CD1-CB 3.98Å; L237-K252 HydrophobicContact CD2-CB 4.11Å; L248-K252 HydrophobicContact CD1-CG 4.41Å; L248-K252 WeakPolarHBondContact O-CG 3.35Å; L248-K252 PolarHBondContact O-N 3.19Å; F249-K252 PolarHBondContact O-N 3.42Å; K252-K254 VanDerWaalsContact C-N 3.33Å; K252-K254 PolarHBondContact O-N 3.33Å; K252-Q255 PolarHBondContact O-N 2.89Å; K252-L256 WeakPolarHBondContact O-CB 3.27Å; K252-L256 PolarHBondContact O-N 2.78Å
253	A	98.6	Very high	94.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-44.2	177.1	0	0	0	0	0	111.4	L234 L237 L238 F249 L250 E251 L256 G257 L306	L234-A253 HydrophobicContact CD1-CB 3.72Å; L234-A253 WeakPolarHBondContact CD1-O 3.45Å; L237-A253 HydrophobicContact CB-CB 3.95Å; L237-A253 HydrophobicContact CD1-CB 4.42Å; L238-A253 HydrophobicContact CD2-CB 3.93Å; L238-A253 HydrophobicContact CG-CB 4.2Å; F249-A253 VanDerWaalsContact O-CB 3.24Å; F249-A253 WeakPolarHBondContact O-CB 3.37Å; F249-A253 PolarHBondContact O-N 2.77Å; L250-A253 PolarHBondContact O-N 3.17Å; E251-A253 PolarHBondContact O-N 3.49Å; A253-L256 PolarHBondContact O-N 2.98Å; A253-G257 PolarHBondContact O-N 2.82Å; A253-L306 HydrophobicContact CB-CD1 4.13Å
254	K	98.6	Very high	95.8	Very high	98 Å²	98	38.8 Å²	38.8	43%	0.426	19%	0.193	S	C	.	.	H	α-helix	trans	-62.8	-48.3	175.5	-176.9	-170.1	169.6	-150.2	0	112.1	L250 E251 K252 L256 G257 D258 L306 T310	L250-K254 WeakPolarHBondContact O-CB 3.41Å; L250-K254 PolarHBondContact O-N 3.45Å; E251-K254 PolarHBondContact O-N 3.4Å; K252-K254 VanDerWaalsContact C-N 3.33Å; K252-K254 PolarHBondContact O-N 3.33Å; K254-L256 VanDerWaalsContact C-N 3.25Å; K254-L256 PolarHBondContact O-N 3.24Å; K254-G257 PolarHBondContact O-N 2.88Å; K254-D258 PolarHBondContact O-N 3.4Å; K254-L306 HydrophobicContact CB-CD1 4.29Å; K254-T310 HydrophobicContact CB-CG2 4.12Å; K254-T310 HydrophobicContact CD-CG2 4.2Å; K254-T310 HydrophobicContact CG-CG2 4.04Å
255	Q	98.4	Very high	96.4	Very high	60 Å²	60	44.3 Å²	44.3	28%	0.28	21%	0.213	S	C	.	.	H	α-helix	trans	-59.3	-38.7	177.9	-67.9	176.7	14.5	0	0	111.8	V218 E251 K252 R259	V218-Q255 HydrophobicContact CG2-CB 3.75Å; E251-Q255 WeakPolarHBondContact O-CG 3.46Å; E251-Q255 PolarHBondContact O-N 3.22Å; E251-Q255 PolarHBondContact OE1-NE2 2.93Å; K252-Q255 PolarHBondContact O-N 2.89Å; Q255-R259 WeakPolarHBondContact O-CG 3.21Å; Q255-R259 PolarHBondContact O-N 2.93Å
256	L	98.6	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-50.2	175.5	-176.7	56.3	0	0	0	111.5	L185 V218 V229 V233 L234 L237 K252 A253 K254 D258 R259 L260 L277	L185-L256 HydrophobicContact CD1-CD1 4.4Å; V218-L256 HydrophobicContact CB-CD1 4.46Å; V218-L256 HydrophobicContact CG1-CB 3.96Å; V218-L256 HydrophobicContact CG1-CD1 4.1Å; V229-L256 HydrophobicContact CG1-CD1 3.81Å; V229-L256 HydrophobicContact CG1-CD2 3.97Å; V229-L256 HydrophobicContact CG1-CG 4.28Å; V233-L256 HydrophobicContact CB-CD2 3.96Å; V233-L256 HydrophobicContact CG1-CD2 3.65Å; L234-L256 HydrophobicContact CB-CD2 4.03Å; L237-L256 HydrophobicContact CD1-CD2 4.22Å; K252-L256 WeakPolarHBondContact O-CB 3.27Å; K252-L256 PolarHBondContact O-N 2.78Å; A253-L256 PolarHBondContact O-N 2.98Å; K254-L256 VanDerWaalsContact C-N 3.25Å; K254-L256 PolarHBondContact O-N 3.24Å; L256-D258 VanDerWaalsContact C-N 3.3Å; L256-D258 PolarHBondContact O-N 3.23Å; L256-R259 CarbonylContact O-C 3.52Å; L256-R259 WeakPolarHBondContact O-CA 3.44Å; L256-R259 PolarHBondContact O-N 2.91Å; L256-L260 HydrophobicContact CD1-CD1 4.36Å; L256-L260 HydrophobicContact CD1-CG 4.28Å; L256-L260 HydrophobicContact CG-CD1 4.01Å; L256-L260 HydrophobicContact CG-CG 4.38Å; L256-L260 WeakPolarHBondContact O-CG 3.38Å; L256-L260 PolarHBondContact O-N 3.36Å; L256-L277 HydrophobicContact CD1-CD1 4.15Å; L256-L277 HydrophobicContact CD1-CD2 4.41Å
257	G	98.4	Very high	97.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.6	-41.7	179	0	0	0	0	0	112.9	A253 K254 R259 L260 L261	A253-G257 PolarHBondContact O-N 2.82Å; K254-G257 PolarHBondContact O-N 2.88Å; G257-R259 PolarHBondContact O-N 3.07Å; G257-L260 PolarHBondContact O-N 2.93Å; G257-L261 WeakPolarHBondContact O-CG 3.02Å; G257-L261 PolarHBondContact O-N 3.37Å; G257-L261 VanDerWaalsContact O-N 3.13Å
258	D	98.5	Very high	97.4	Very high	71 Å²	71	40.7 Å²	40.7	38%	0.38	20%	0.202	S	C	.	.	H	α-helix	trans	-57.9	-36.3	174.8	-76	-19.9	0	0	0	112.5	K254 L256 Y315	K254-D258 PolarHBondContact O-N 3.4Å; L256-D258 VanDerWaalsContact C-N 3.3Å; L256-D258 PolarHBondContact O-N 3.23Å; D258-Y315 WeakPolarHBondContact OD1-CE1 3.4Å; D258-Y315 PolarHBondContact OD1-OH 2.95Å
259	R	98.4	Very high	97.3	Very high	72 Å²	72	39.9 Å²	39.9	27%	0.272	20%	0.2	S	C	.	.	H	α-helix	trans	-84.7	-17.5	-179.1	-68	174	-177.8	-91.6	6.2	113.8	V218 N219 Q255 L256 G257 P262 L277	V218-R259 WeakPolarHBondContact O-CD 3.14Å; N219-R259 PolarHBondContact OD1-NH1 3.29Å; N219-R259 PolarHBondContact OD1-NH2 2.96Å; Q255-R259 WeakPolarHBondContact O-CG 3.21Å; Q255-R259 PolarHBondContact O-N 2.93Å; L256-R259 CarbonylContact O-C 3.52Å; L256-R259 WeakPolarHBondContact O-CA 3.44Å; L256-R259 PolarHBondContact O-N 2.91Å; G257-R259 PolarHBondContact O-N 3.07Å; R259-P262 VanDerWaalsContact O-CD 3.31Å; R259-P262 WeakPolarHBondContact O-CD 3.3Å; R259-L277 HydrophobicContact CB-CB 4.31Å; R259-L277 HydrophobicContact CB-CD2 4.03Å; R259-L277 WeakPolarHBondContact CD-O 3.35Å; R259-L277 WeakPolarHBondContact CG-O 3.23Å; R259-L277 PolarHBondContact NH1-O 3.24Å
260	L	98.5	Very high	97.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-84.1	-31.3	173.6	-67.3	174.1	0	0	0	112.6	L226 V229 L234 L256 G257 P262 A263 V275 L277 F303	L226-L260 HydrophobicContact CD1-CB 3.88Å; L226-L260 HydrophobicContact CD1-CD2 4.04Å; L226-L260 HydrophobicContact CD1-CG 4.38Å; V229-L260 HydrophobicContact CB-CD2 4.39Å; V229-L260 HydrophobicContact CG1-CD1 4.31Å; V229-L260 HydrophobicContact CG1-CD2 4.04Å; L234-L260 HydrophobicContact CD2-CD1 4.46Å; L256-L260 HydrophobicContact CD1-CD1 4.36Å; L256-L260 HydrophobicContact CD1-CG 4.28Å; L256-L260 HydrophobicContact CG-CD1 4.01Å; L256-L260 HydrophobicContact CG-CG 4.38Å; L256-L260 WeakPolarHBondContact O-CG 3.38Å; L256-L260 PolarHBondContact O-N 3.36Å; G257-L260 PolarHBondContact O-N 2.93Å; L260-P262 VanDerWaalsContact C-N 3.31Å; L260-P262 WeakPolarHBondContact O-CD 3.35Å; L260-P262 VanDerWaalsContact O-N 3.12Å; L260-A263 VanDerWaalsContact O-CB 3.28Å; L260-A263 WeakPolarHBondContact O-CB 3.18Å; L260-A263 PolarHBondContact O-N 3.11Å; L260-V275 HydrophobicContact CD2-CG1 3.81Å; L260-L277 HydrophobicContact CD2-CD2 3.87Å; L260-F303 HydrophobicContact CB-CZ 3.94Å; L260-F303 HydrophobicContact CD1-CZ 4.35Å
261	L	98.5	Very high	97.3	Very high	31 Å²	31	38.6 Å²	38.6	16%	0.162	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-49.2	-35.7	179.8	-80.5	175.4	0	0	0	116.2	G257 A263 F264 F303 T314 Y315 A318	G257-L261 WeakPolarHBondContact O-CG 3.02Å; G257-L261 PolarHBondContact O-N 3.37Å; G257-L261 VanDerWaalsContact O-N 3.13Å; L261-A263 PolarHBondContact O-N 2.81Å; L261-A263 VanDerWaalsContact O-N 3.1Å; L261-F264 PolarHBondContact O-N 2.9Å; L261-F264 VanDerWaalsContact O-N 3.11Å; L261-F303 HydrophobicContact CD2-CE1 4.13Å; L261-T314 HydrophobicContact CD1-CG2 3.85Å; L261-T314 HydrophobicContact CD2-CG2 4.27Å; L261-Y315 HydrophobicContact CD1-CD1 3.8Å; L261-Y315 HydrophobicContact CD1-CE1 3.69Å; L261-Y315 HydrophobicContact CD2-CD1 4.18Å; L261-Y315 HydrophobicContact CG-CD1 3.99Å; L261-Y315 HydrophobicContact CG-CE1 4.24Å; L261-A318 HydrophobicContact CD2-CB 3.76Å
262	P	98.1	Very high	97.3	Very high	18 Å²	18	36.4 Å²	36.4	12%	0.117	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-57.5	-23	176.7	-25.7	35.5	0	0	0	114.7	R259 L260 F264 K265 V275 G280	R259-P262 VanDerWaalsContact O-CD 3.31Å; R259-P262 WeakPolarHBondContact O-CD 3.3Å; L260-P262 VanDerWaalsContact C-N 3.31Å; L260-P262 WeakPolarHBondContact O-CD 3.35Å; L260-P262 VanDerWaalsContact O-N 3.12Å; P262-F264 PolarHBondContact O-N 3.2Å; P262-K265 WeakPolarHBondContact O-CB 3.21Å; P262-K265 PolarHBondContact O-N 2.83Å; P262-K265 VanDerWaalsContact O-N 3.12Å; P262-V275 HydrophobicContact CB-CG2 4.17Å; P262-G280 WeakPolarHBondContact CB-O 3.31Å
263	A	97.8	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-58.8	-31.7	175.8	0	0	0	0	0	113	L226 L260 L261 K265 P271 Y272 V275 A282	L226-A263 HydrophobicContact CB-CB 4.4Å; L226-A263 HydrophobicContact CD1-CB 4.08Å; L226-A263 HydrophobicContact CD2-CB 3.75Å; L226-A263 HydrophobicContact CG-CB 4.3Å; L260-A263 VanDerWaalsContact O-CB 3.28Å; L260-A263 WeakPolarHBondContact O-CB 3.18Å; L260-A263 PolarHBondContact O-N 3.11Å; L261-A263 PolarHBondContact O-N 2.81Å; L261-A263 VanDerWaalsContact O-N 3.1Å; A263-K265 VanDerWaalsContact C-N 3.26Å; A263-K265 PolarHBondContact O-N 2.91Å; A263-P271 HydrophobicContact CB-CB 4.12Å; A263-P271 CarbonylContact O-C 3.6Å; A263-P271 WeakPolarHBondContact O-CA 3.3Å; A263-P271 WeakPolarHBondContact O-CB 3.26Å; A263-Y272 PolarHBondContact O-N 3.29Å; A263-V275 HydrophobicContact CB-CB 4.13Å; A263-V275 HydrophobicContact CB-CG1 4.45Å; A263-A282 HydrophobicContact CB-CB 4.44Å
264	F	97.9	Very high	97.1	Very high	20 Å²	20	38.3 Å²	38.3	9%	0.088	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-78.5	-3.9	-179.9	-64.3	-92.6	0	0	0	113.9	L226 L261 P262 T266 P271 I299 F303 A318 A319 V322	L226-F264 HydrophobicContact CD1-CE2 4.37Å; L226-F264 HydrophobicContact CD2-CE2 4.27Å; L226-F264 HydrophobicContact CD2-CZ 4.34Å; L261-F264 PolarHBondContact O-N 2.9Å; L261-F264 VanDerWaalsContact O-N 3.11Å; P262-F264 PolarHBondContact O-N 3.2Å; F264-T266 PolarHBondContact O-N 3.45Å; F264-P271 HydrophobicContact CD1-CB 3.9Å; F264-P271 HydrophobicContact CD1-CG 4.02Å; F264-P271 HydrophobicContact CD2-CB 4.48Å; F264-P271 HydrophobicContact CE1-CB 4.13Å; F264-P271 HydrophobicContact CE1-CG 3.85Å; F264-P271 HydrophobicContact CG-CB 4.11Å; F264-P271 HydrophobicContact CZ-CG 4.38Å; F264-I299 HydrophobicContact CE1-CD1 4.05Å; F264-I299 HydrophobicContact CZ-CD1 3.55Å; F264-F303 AromaticContact CE2-CE1 3.76Å; F264-F303 HydrophobicContact CE2-CE1 3.76Å; F264-F303 AromaticContact CE2-CZ 3.75Å; F264-F303 HydrophobicContact CE2-CZ 3.75Å; F264-F303 HydrophobicContact CZ-CE1 4.27Å; F264-F303 HydrophobicContact CZ-CZ 4.23Å; F264-A318 HydrophobicContact CB-CB 4.42Å; F264-A318 HydrophobicContact CD1-CB 4.06Å; F264-A318 HydrophobicContact CD2-CB 4.11Å; F264-A318 HydrophobicContact CE1-CB 4.31Å; F264-A318 HydrophobicContact CE2-CB 4.35Å; F264-A318 HydrophobicContact CG-CB 3.94Å; F264-A318 HydrophobicContact CZ-CB 4.43Å; F264-A319 HydrophobicContact CZ-CB 4.42Å; F264-V322 HydrophobicContact CD1-CG2 4.11Å; F264-V322 HydrophobicContact CE1-CG2 3.85Å
265	K	95.3	Very high	97	Very high	167 Å²	167	33.6 Å²	33.6	73%	0.726	17%	0.174	S	C	*	.			trans	-78.2	60.7	-179.6	-65	-178.3	178.2	176.5	0	112	P262 A263	P262-K265 WeakPolarHBondContact O-CB 3.21Å; P262-K265 PolarHBondContact O-N 2.83Å; P262-K265 VanDerWaalsContact O-N 3.12Å; A263-K265 VanDerWaalsContact C-N 3.26Å; A263-K265 PolarHBondContact O-N 2.91Å
266	T	95.6	Very high	97	Very high	20 Å²	20	31 Å²	31	12%	0.123	16%	0.162	C	C	.	.	S	Bend	trans	-110.5	164.4	173.2	72.3	0	0	0	0	110.1	F264 S268 G269 I270 Y272 I344	F264-T266 PolarHBondContact O-N 3.45Å; T266-S268 PolarHBondContact O-N 3.45Å; T266-G269 PolarHBondContact O-N 2.92Å; T266-G269 WeakPolarHBondContact OG1-CA 3.13Å; T266-G269 PolarHBondContact OG1-N 2.84Å; T266-I270 WeakPolarHBondContact CB-O 2.98Å; T266-I270 WeakPolarHBondContact CG2-O 3.22Å; T266-I270 PolarHBondContact OG1-N 2.8Å; T266-I270 PolarHBondContact OG1-O 3.44Å; T266-Y272 HydrophobicContact CG2-CD1 4.44Å; T266-Y272 HydrophobicContact CG2-CD2 3.57Å; T266-Y272 HydrophobicContact CG2-CE1 4.4Å; T266-Y272 HydrophobicContact CG2-CE2 3.52Å; T266-Y272 HydrophobicContact CG2-CG 4.05Å; T266-I344 HydrophobicContact CG2-CG2 3.69Å
267	S	93.2	Very high	97	Very high	91 Å²	91	31.1 Å²	31.1	64%	0.636	16%	0.163	S	C	*	.	S	Bend	trans	-64.5	-26.9	-179	70.4	0	0	0	0	112.1	E345	S267-E345 WeakPolarHBondContact CB-OE2 3.48Å; S267-E345 PolarHBondContact N-OE2 3.48Å; S267-E345 PolarHBondContact OG-O 3.44Å; S267-E345 PolarHBondContact OG-OE2 2.99Å
268	S	94.1	Very high	97	Very high	19 Å²	19	37.5 Å²	37.5	13%	0.133	19%	0.187	C	C	.	.	S	Bend	trans	-88.9	-40.8	175.8	102.2	0	0	0	0	111.5	T266 I270 K325 I344 E345 S347	T266-S268 PolarHBondContact O-N 3.45Å; S268-I270 WeakPolarHBondContact OG-CB 3.29Å; S268-I270 WeakPolarHBondContact OG-CG1 3.46Å; S268-I270 PolarHBondContact OG-N 2.91Å; S268-K325 VanDerWaalsContact C-NZ 3.28Å; S268-K325 WeakPolarHBondContact O-CE 2.99Å; S268-K325 PolarHBondContact O-NZ 3.09Å; S268-I344 WeakPolarHBondContact CB-O 2.96Å; S268-I344 PolarHBondContact OG-O 2.82Å; S268-E345 WeakPolarHBondContact CB-O 3.25Å; S268-S347 WeakPolarHBondContact CB-OG 3.2Å; S268-S347 PolarHBondContact OG-OG 3.46Å; S268-S347 VanDerWaalsContact OG-OG 3.14Å
269	G	95	Very high	96.9	Very high	11 Å²	11	37 Å²	37	11%	0.113	19%	0.188	C	C	.	.	S	Bend	trans	100.6	-4.4	-168.4	0	0	0	0	0	113.8	T266	T266-G269 PolarHBondContact O-N 2.92Å; T266-G269 WeakPolarHBondContact OG1-CA 3.13Å; T266-G269 PolarHBondContact OG1-N 2.84Å
270	I	96.7	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-69.2	126.8	162	-63.4	174.1	0	0	0	107	T266 S268 V296 V322 K325 V342 I344 S347	T266-I270 WeakPolarHBondContact CB-O 2.98Å; T266-I270 WeakPolarHBondContact CG2-O 3.22Å; T266-I270 PolarHBondContact OG1-N 2.8Å; T266-I270 PolarHBondContact OG1-O 3.44Å; S268-I270 WeakPolarHBondContact OG-CB 3.29Å; S268-I270 WeakPolarHBondContact OG-CG1 3.46Å; S268-I270 PolarHBondContact OG-N 2.91Å; I270-V296 HydrophobicContact CG2-CB 4.21Å; I270-V296 HydrophobicContact CG2-CG1 3.91Å; I270-V296 HydrophobicContact CG2-CG2 4.31Å; I270-V322 HydrophobicContact CG1-CG1 4.45Å; I270-K325 HydrophobicContact CG1-CD 4.04Å; I270-V342 HydrophobicContact CD1-CG2 3.78Å; I270-V342 HydrophobicContact CG2-CG1 4.43Å; I270-I344 HydrophobicContact CG2-CG1 4.48Å; I270-I344 WeakPolarHBondContact O-CG2 3.42Å; I270-S347 WeakPolarHBondContact CD1-OG 3.17Å
271	P	97.5	Very high	96.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-72.4	157.1	-171.8	28	-34.9	0	0	0	113.3	L226 A263 F264 V296 I299	L226-P271 HydrophobicContact CD2-CB 3.42Å; L226-P271 VanDerWaalsContact CD2-CB 3.42Å; L226-P271 HydrophobicContact CD2-CG 3.6Å; A263-P271 HydrophobicContact CB-CB 4.12Å; A263-P271 CarbonylContact O-C 3.6Å; A263-P271 WeakPolarHBondContact O-CA 3.3Å; A263-P271 WeakPolarHBondContact O-CB 3.26Å; F264-P271 HydrophobicContact CD1-CB 3.9Å; F264-P271 HydrophobicContact CD1-CG 4.02Å; F264-P271 HydrophobicContact CD2-CB 4.48Å; F264-P271 HydrophobicContact CE1-CB 4.13Å; F264-P271 HydrophobicContact CE1-CG 3.85Å; F264-P271 HydrophobicContact CG-CB 4.11Å; F264-P271 HydrophobicContact CZ-CG 4.38Å; P271-V296 HydrophobicContact CG-CB 4.13Å; P271-V296 HydrophobicContact CG-CG1 3.99Å; P271-I299 HydrophobicContact CG-CD1 4.32Å
272	Y	97.3	Very high	96.7	Very high	59 Å²	59	41.7 Å²	41.7	23%	0.231	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-68.8	149.4	160.7	-72.7	-61.6	0	0	0	111.1	A263 T266 D274 A282 N284 I344 E345	A263-Y272 PolarHBondContact O-N 3.29Å; T266-Y272 HydrophobicContact CG2-CD1 4.44Å; T266-Y272 HydrophobicContact CG2-CD2 3.57Å; T266-Y272 HydrophobicContact CG2-CE1 4.4Å; T266-Y272 HydrophobicContact CG2-CE2 3.52Å; T266-Y272 HydrophobicContact CG2-CG 4.05Å; Y272-D274 PolarHBondContact O-N 3.49Å; Y272-A282 HydrophobicContact CD2-CB 3.81Å; Y272-A282 HydrophobicContact CG-CB 4.32Å; Y272-N284 HydrophobicContact CD1-CB 4.15Å; Y272-I344 HydrophobicContact CD1-CD1 4.03Å; Y272-I344 HydrophobicContact CD1-CG2 4.28Å; Y272-I344 HydrophobicContact CE1-CG2 4.26Å; Y272-E345 PolarHBondContact OH-OE1 2.81Å
273	S	95.5	Very high	96.6	Very high	21 Å²	21	46.8 Å²	46.8	15%	0.147	24%	0.24	C	C	.	.	S	Bend	trans	-66.7	-35	-179.4	-57.6	0	0	0	0	113.2	L226 E295	L226-S273 PolarHBondContact N-O 3.23Å; S273-E295 WeakPolarHBondContact CB-OE2 3.29Å; S273-E295 PolarHBondContact OG-OE2 3.02Å
274	D	96.7	Very high	96.3	Very high	46 Å²	46	47.8 Å²	47.8	25%	0.246	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.2	-178.7	-61.5	-38	0	0	0	113	F223 V224 Y272 A282 R283	F223-D274 HydrophobicContact CB-CB 4.32Å; F223-D274 HydrophobicContact CD1-CB 4.12Å; V224-D274 VanDerWaalsContact O-CA 3.31Å; V224-D274 WeakPolarHBondContact O-CA 3.09Å; Y272-D274 PolarHBondContact O-N 3.49Å; D274-A282 CarbonylContact O-C 3.57Å; D274-A282 WeakPolarHBondContact O-CA 3.32Å; D274-A282 WeakPolarHBondContact O-CB 3.43Å; D274-R283 HydrophobicContact CB-CG 4.32Å; D274-R283 PolarHBondContact N-O 3.46Å; D274-R283 PolarHBondContact O-N 2.81Å
275	V	97.8	Very high	95.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.2	172.5	60.8	0	0	0	0	111.3	F223 V224 L260 P262 A263 L277 A282	F223-V275 WeakPolarHBondContact CA-O 3.13Å; V224-V275 HydrophobicContact CG2-CG1 4.27Å; V224-V275 WeakPolarHBondContact CG2-O 3.43Å; V224-V275 PolarHBondContact N-O 2.98Å; V224-V275 PolarHBondContact O-N 3.18Å; L260-V275 HydrophobicContact CD2-CG1 3.81Å; P262-V275 HydrophobicContact CB-CG2 4.17Å; A263-V275 HydrophobicContact CB-CB 4.13Å; A263-V275 HydrophobicContact CB-CG1 4.45Å; V275-L277 HydrophobicContact CG1-CD2 4.23Å; V275-A282 HydrophobicContact CB-CB 4.24Å; V275-A282 HydrophobicContact CG2-CB 4.27Å
276	N	98.3	Very high	95.3	Very high	6 Å²	6	46 Å²	46	3%	0.032	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	114.1	173.4	179	-65.6	0	0	0	110.5	N221 R222 F223 R278 S279 G280 K281	N221-N276 PolarHBondContact OD1-ND2 3.07Å; N221-N276 PolarHBondContact OD1-OD1 3.07Å; R222-N276 PolarHBondContact N-ND2 2.89Å; R222-N276 VanDerWaalsContact O-CA 3.26Å; R222-N276 WeakPolarHBondContact O-CA 3.49Å; F223-N276 HydrophobicContact CD1-CB 3.98Å; F223-N276 HydrophobicContact CD2-CB 4.28Å; F223-N276 HydrophobicContact CE1-CB 3.95Å; F223-N276 HydrophobicContact CE2-CB 4.25Å; F223-N276 HydrophobicContact CG-CB 4.15Å; F223-N276 HydrophobicContact CZ-CB 4.09Å; N276-R278 VanDerWaalsContact C-N 3.28Å; N276-R278 PolarHBondContact O-N 3.38Å; N276-R278 PolarHBondContact OD1-N 3.46Å; N276-S279 WeakPolarHBondContact CB-OG 3.37Å; N276-S279 PolarHBondContact O-N 3.47Å; N276-S279 WeakPolarHBondContact OD1-CB 3.16Å; N276-S279 PolarHBondContact OD1-N 2.99Å; N276-S279 PolarHBondContact OD1-OG 2.89Å; N276-G280 WeakPolarHBondContact O-CA 3.48Å; N276-G280 PolarHBondContact O-N 3Å; N276-K281 PolarHBondContact N-O 3.4Å
277	L	97.7	Very high	94.7	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.3	-169.7	-57.9	-178.3	0	0	0	114	L185 V218 V220 V224 L256 R259 L260 V275	L185-L277 HydrophobicContact CD1-CD1 3.84Å; L185-L277 HydrophobicContact CD2-CD1 4.06Å; L185-L277 HydrophobicContact CG-CD1 4.37Å; V218-L277 VanDerWaalsContact O-CB 3.22Å; V218-L277 WeakPolarHBondContact O-CB 3.48Å; V220-L277 HydrophobicContact CG2-CB 4.1Å; V220-L277 HydrophobicContact CG2-CD1 3.64Å; V220-L277 HydrophobicContact CG2-CG 4.21Å; V224-L277 HydrophobicContact CG1-CD1 4.27Å; V224-L277 HydrophobicContact CG1-CG 4.38Å; V224-L277 HydrophobicContact CG2-CD1 3.97Å; V224-L277 HydrophobicContact CG2-CD2 3.65Å; V224-L277 HydrophobicContact CG2-CG 3.69Å; L256-L277 HydrophobicContact CD1-CD1 4.15Å; L256-L277 HydrophobicContact CD1-CD2 4.41Å; R259-L277 HydrophobicContact CB-CB 4.31Å; R259-L277 HydrophobicContact CB-CD2 4.03Å; R259-L277 WeakPolarHBondContact CD-O 3.35Å; R259-L277 WeakPolarHBondContact CG-O 3.23Å; R259-L277 PolarHBondContact NH1-O 3.24Å; L260-L277 HydrophobicContact CD2-CD2 3.87Å; V275-L277 HydrophobicContact CG1-CD2 4.23Å
278	R	97.7	Very high	94.5	Very high	133 Å²	133	53.1 Å²	53.1	50%	0.502	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-51.3	175.4	-177.3	176.4	-58	177.4	2.2	113	N219 V220 N221 N276	N219-R278 PolarHBondContact O-NE 2.83Å; N219-R278 PolarHBondContact O-NH2 2.88Å; N219-R278 WeakPolarHBondContact OD1-CG 3.16Å; V220-R278 WeakPolarHBondContact O-CB 3.25Å; V220-R278 PolarHBondContact O-N 2.96Å; V220-R278 VanDerWaalsContact O-N 3.08Å; N221-R278 HydrophobicContact CB-CB 4.24Å; N276-R278 VanDerWaalsContact C-N 3.28Å; N276-R278 PolarHBondContact O-N 3.38Å; N276-R278 PolarHBondContact OD1-N 3.46Å
279	S	97.7	Very high	94.3	Very high	60 Å²	60	58 Å²	58	42%	0.42	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-16.4	-171.5	65.8	0	0	0	0	114.1	N276 K281	N276-S279 WeakPolarHBondContact CB-OG 3.37Å; N276-S279 PolarHBondContact O-N 3.47Å; N276-S279 WeakPolarHBondContact OD1-CB 3.16Å; N276-S279 PolarHBondContact OD1-N 2.99Å; N276-S279 PolarHBondContact OD1-OG 2.89Å; S279-K281 PolarHBondContact O-N 3.42Å; S279-K281 PolarHBondContact OG-N 2.86Å
280	G	96.5	Very high	94.2	Very high	30 Å²	30	60.1 Å²	60.1	31%	0.309	30%	0.297	S	S	.	.			trans	67.9	9.9	-174.5	0	0	0	0	0	114.3	P262 N276	P262-G280 WeakPolarHBondContact CB-O 3.31Å; N276-G280 WeakPolarHBondContact O-CA 3.48Å; N276-G280 PolarHBondContact O-N 3Å
281	K	97.7	Very high	94.1	Very high	146 Å²	146	60.2 Å²	60.2	64%	0.635	30%	0.298	S	S	*	.			trans	-74.3	131.2	172.7	-66.5	-176.8	-179.5	-179.9	0	109.2	F223 N276 S279	F223-K281 HydrophobicContact CE1-CB 4.35Å; F223-K281 VanDerWaalsContact CE1-O 3.28Å; F223-K281 WeakPolarHBondContact CE1-O 3.21Å; F223-K281 HydrophobicContact CZ-CB 4.17Å; N276-K281 PolarHBondContact N-O 3.4Å; S279-K281 PolarHBondContact O-N 3.42Å; S279-K281 PolarHBondContact OG-N 2.86Å
282	A	97	Very high	93.9	Very high	27 Å²	27	60.3 Å²	60.3	22%	0.223	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.3	176.5	0	0	0	0	0	110.9	A263 Y272 D274 V275	A263-A282 HydrophobicContact CB-CB 4.44Å; Y272-A282 HydrophobicContact CD2-CB 3.81Å; Y272-A282 HydrophobicContact CG-CB 4.32Å; D274-A282 CarbonylContact O-C 3.57Å; D274-A282 WeakPolarHBondContact O-CA 3.32Å; D274-A282 WeakPolarHBondContact O-CB 3.43Å; V275-A282 HydrophobicContact CB-CB 4.24Å; V275-A282 HydrophobicContact CG2-CB 4.27Å
283	R	94.8	Very high	93.9	Very high	125 Å²	125	57.5 Å²	57.5	47%	0.472	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	158.5	-176.7	67.9	-176.4	-178.5	-177.3	0.7	113.1	F223 D274	F223-R283 HydrophobicContact CD1-CG 3.9Å; F223-R283 HydrophobicContact CE1-CB 4.47Å; F223-R283 HydrophobicContact CE1-CG 3.68Å; F223-R283 HydrophobicContact CZ-CG 4.38Å; D274-R283 HydrophobicContact CB-CG 4.32Å; D274-R283 PolarHBondContact N-O 3.46Å; D274-R283 PolarHBondContact O-N 2.81Å
284	N	91.8	Very high	93.8	Very high	20 Å²	20	56.6 Å²	56.6	11%	0.107	28%	0.281	C	S	.	.			trans	-89	160.7	158.6	-172.1	-35.2	0	0	0	109	Y272 T288 F290 I344	Y272-N284 HydrophobicContact CD1-CB 4.15Å; N284-T288 PolarHBondContact ND2-O 3.09Å; N284-T288 WeakPolarHBondContact OD1-CG2 3.45Å; N284-T288 PolarHBondContact OD1-O 3.31Å; N284-F290 PolarHBondContact ND2-O 3.41Å; N284-I344 HydrophobicContact CB-CD1 4.21Å; N284-I344 WeakPolarHBondContact ND2-CD1 3.23Å
285	A	86.3	Confident	93.8	Very high	23 Å²	23	56.3 Å²	56.3	19%	0.19	28%	0.279	C	S	.	.			trans	-47.9	135.9	155.6	0	0	0	0	0	112	W287 T288	A285-W287 HydrophobicContact CB-CD2 3.85Å; A285-W287 HydrophobicContact CB-CE3 4.03Å; A285-W287 HydrophobicContact CB-CH2 3.67Å; A285-W287 HydrophobicContact CB-CZ2 3.45Å; A285-W287 VanDerWaalsContact CB-CZ2 3.45Å; A285-W287 HydrophobicContact CB-CZ3 3.94Å; A285-W287 PolarHBondContact O-N 3.1Å; A285-T288 HydrophobicContact CB-CG2 4.24Å; A285-T288 PolarHBondContact O-N 3.48Å
286	P	85.6	Confident	93.7	Very high	127 Å²	127	56.4 Å²	56.4	83%	0.825	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.8	-172	-27	34.6	0	0	0	115.8
287	W	84.1	Confident	93.5	Very high	219 Å²	219	56.2 Å²	56.2	83%	0.83	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.1	-174.5	58.7	85.1	0	0	0	114.4	A285	A285-W287 HydrophobicContact CB-CD2 3.85Å; A285-W287 HydrophobicContact CB-CE3 4.03Å; A285-W287 HydrophobicContact CB-CH2 3.67Å; A285-W287 HydrophobicContact CB-CZ2 3.45Å; A285-W287 VanDerWaalsContact CB-CZ2 3.45Å; A285-W287 HydrophobicContact CB-CZ3 3.94Å; A285-W287 PolarHBondContact O-N 3.1Å
288	T	89.3	Confident	93.5	Very high	41 Å²	41	56.2 Å²	56.2	25%	0.252	28%	0.278	S	S	.	.			trans	-137.9	149.3	-178.2	-179	0	0	0	0	112.7	N284 A285 F290	N284-T288 PolarHBondContact ND2-O 3.09Å; N284-T288 WeakPolarHBondContact OD1-CG2 3.45Å; N284-T288 PolarHBondContact OD1-O 3.31Å; A285-T288 HydrophobicContact CB-CG2 4.24Å; A285-T288 PolarHBondContact O-N 3.48Å; T288-F290 WeakPolarHBondContact OG1-CD2 3.1Å; T288-F290 PolarHBondContact OG1-N 3.16Å
289	Q	89.5	Confident	93.5	Very high	121 Å²	121	49.9 Å²	49.9	57%	0.565	25%	0.254	S	S	*	.	S	Bend	trans	-106.5	8.3	171.6	-62.8	-177.7	-3.4	0	0	111.5	I344	Q289-I344 PolarHBondContact O-N 3.2Å; Q289-I344 VanDerWaalsContact O-N 3.12Å
290	F	93.3	Very high	93.5	Very high	57 Å²	57	47 Å²	47	25%	0.25	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.1	-174.2	-55.7	-78.1	0	0	0	110.6	N284 T288 F341 V342 N343 N350	N284-F290 PolarHBondContact ND2-O 3.41Å; T288-F290 WeakPolarHBondContact OG1-CD2 3.1Å; T288-F290 PolarHBondContact OG1-N 3.16Å; F290-F341 HydrophobicContact CB-CB 3.95Å; F290-F341 HydrophobicContact CB-CD1 4.35Å; F290-F341 HydrophobicContact CB-CG 4.35Å; F290-F341 HydrophobicContact CD1-CB 4.42Å; F290-F341 HydrophobicContact CG-CB 4.3Å; F290-V342 VanDerWaalsContact CA-O 3.26Å; F290-V342 WeakPolarHBondContact CA-O 3.1Å; F290-N343 HydrophobicContact CD1-CB 3.96Å; F290-N343 HydrophobicContact CE1-CB 3.84Å; F290-N350 HydrophobicContact CD1-CB 4.04Å; F290-N350 HydrophobicContact CE1-CB 3.54Å; F290-N350 HydrophobicContact CZ-CB 4.01Å; F290-N350 WeakPolarHBondContact CZ-ND2 3.5Å
291	A	93.5	Very high	93.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	154.4	165.9	0	0	0	0	0	109.4	V296 F341 V342 I344	A291-V296 HydrophobicContact CB-CG1 3.5Å; A291-V296 VanDerWaalsContact CB-CG1 3.5Å; A291-F341 WeakPolarHBondContact O-CA 3.45Å; A291-V342 HydrophobicContact CB-CG1 4.44Å; A291-V342 PolarHBondContact N-O 2.86Å; A291-V342 PolarHBondContact O-N 3.33Å; A291-I344 HydrophobicContact CB-CD1 4.03Å; A291-I344 HydrophobicContact CB-CG1 3.81Å
292	S	94.6	Very high	93.6	Very high	2 Å²	2	41 Å²	41	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	148	170.2	-54.9	0	0	0	0	109.9	E295 M340 R361	S292-E295 VanDerWaalsContact CB-CD 3.46Å; S292-E295 VanDerWaalsContact CB-OE1 3.23Å; S292-E295 WeakPolarHBondContact CB-OE1 3.42Å; S292-E295 PolarHBondContact O-N 3.28Å; S292-E295 PolarHBondContact OG-OE1 2.99Å; S292-M340 CarbonylContact C-O 3.59Å; S292-M340 WeakPolarHBondContact CA-O 3.37Å; S292-R361 PolarHBondContact OG-NH1 2.66Å
293	L	95.8	Very high	93.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-55.3	177.7	174.5	62	0	0	0	110.9	E295 V296 T297 C338 M340 W349 R361 Y365	L293-E295 VanDerWaalsContact C-N 3.33Å; L293-E295 PolarHBondContact O-N 2.98Å; L293-V296 WeakPolarHBondContact O-CG2 3.48Å; L293-V296 PolarHBondContact O-N 3.1Å; L293-T297 HydrophobicContact CD1-CG2 3.95Å; L293-T297 PolarHBondContact O-N 3.43Å; L293-T297 VanDerWaalsContact O-N 3.14Å; L293-T297 PolarHBondContact O-OG1 2.77Å; L293-C338 HydrophobicContact CD1-CB 4.38Å; L293-C338 HydrophobicContact CD2-CB 3.66Å; L293-M340 PolarHBondContact N-O 3.42Å; L293-W349 HydrophobicContact CD1-CH2 3.76Å; L293-W349 HydrophobicContact CD1-CZ3 4.01Å; L293-R361 PolarHBondContact N-O 2.96Å; L293-Y365 HydrophobicContact CD1-CD1 4.31Å; L293-Y365 HydrophobicContact CD1-CD2 4.26Å; L293-Y365 HydrophobicContact CD1-CG 4.06Å; L293-Y365 HydrophobicContact CD2-CD1 3.65Å; L293-Y365 HydrophobicContact CD2-CE1 4.36Å; L293-Y365 HydrophobicContact CD2-CG 3.92Å; L293-Y365 HydrophobicContact CG-CD1 4.15Å; L293-Y365 HydrophobicContact CG-CG 3.91Å
294	A	94.9	Very high	93.7	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-56.7	-45.2	179.3	0	0	0	0	0	111.9	V296 T297 T298 R361 D363	A294-V296 PolarHBondContact O-N 3.41Å; A294-T297 PolarHBondContact O-N 3.21Å; A294-T298 WeakPolarHBondContact O-CA 3.21Å; A294-T298 WeakPolarHBondContact O-CB 3.43Å; A294-T298 PolarHBondContact O-N 2.75Å; A294-T298 PolarHBondContact O-OG1 3.09Å; A294-T298 VanDerWaalsContact O-OG1 3.12Å; A294-R361 WeakPolarHBondContact CB-O 3.3Å; A294-R361 PolarHBondContact N-O 2.85Å; A294-D363 WeakPolarHBondContact CB-OD1 3.42Å
295	E	95.1	Very high	93.7	Very high	41 Å²	41	34.5 Å²	34.5	19%	0.192	17%	0.17	C	C	.	.	H	α-helix	trans	-53.1	-36.2	-178.9	-78.6	169.7	-143.1	0	0	113.7	F227 S273 S292 L293	F227-E295 HydrophobicContact CB-CB 4.09Å; F227-E295 HydrophobicContact CB-CG 3.93Å; F227-E295 HydrophobicContact CD1-CG 4.07Å; F227-E295 HydrophobicContact CG-CB 4.34Å; F227-E295 HydrophobicContact CG-CG 4.09Å; S273-E295 WeakPolarHBondContact CB-OE2 3.29Å; S273-E295 PolarHBondContact OG-OE2 3.02Å; S292-E295 VanDerWaalsContact CB-CD 3.46Å; S292-E295 VanDerWaalsContact CB-OE1 3.23Å; S292-E295 WeakPolarHBondContact CB-OE1 3.42Å; S292-E295 PolarHBondContact O-N 3.28Å; S292-E295 PolarHBondContact OG-OE1 2.99Å; L293-E295 VanDerWaalsContact C-N 3.33Å; L293-E295 PolarHBondContact O-N 2.98Å
296	V	95.7	Very high	94.2	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-99	-17.7	-175.2	-53.6	0	0	0	0	113.2	I270 P271 A291 L293 A294 V322 V342	I270-V296 HydrophobicContact CG2-CB 4.21Å; I270-V296 HydrophobicContact CG2-CG1 3.91Å; I270-V296 HydrophobicContact CG2-CG2 4.31Å; P271-V296 HydrophobicContact CG-CB 4.13Å; P271-V296 HydrophobicContact CG-CG1 3.99Å; A291-V296 HydrophobicContact CB-CG1 3.5Å; A291-V296 VanDerWaalsContact CB-CG1 3.5Å; L293-V296 WeakPolarHBondContact O-CG2 3.48Å; L293-V296 PolarHBondContact O-N 3.1Å; A294-V296 PolarHBondContact O-N 3.41Å; V296-V322 HydrophobicContact CB-CG1 4.04Å; V296-V322 HydrophobicContact CG2-CG1 4.01Å; V296-V322 WeakPolarHBondContact O-CG1 3.34Å; V296-V342 HydrophobicContact CG2-CG1 4.03Å
297	T	96	Very high	94.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-108.3	-13.6	-177.9	60.4	0	0	0	0	114.6	L293 A294 Q300 V326 Y365	L293-T297 HydrophobicContact CD1-CG2 3.95Å; L293-T297 PolarHBondContact O-N 3.43Å; L293-T297 VanDerWaalsContact O-N 3.14Å; L293-T297 PolarHBondContact O-OG1 2.77Å; A294-T297 PolarHBondContact O-N 3.21Å; T297-Q300 WeakPolarHBondContact O-CG 3.43Å; T297-V326 HydrophobicContact CG2-CG2 3.85Å; T297-Y365 HydrophobicContact CG2-CD2 3.71Å; T297-Y365 HydrophobicContact CG2-CE2 4.06Å; T297-Y365 WeakPolarHBondContact OG1-CB 3.39Å; T297-Y365 VanDerWaalsContact OG1-CD2 3.25Å; T297-Y365 WeakPolarHBondContact OG1-CD2 3.47Å
298	T	96.5	Very high	94.5	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	10%	0.102	C	C	.	.	S	Bend	trans	-105	50.2	-177.3	-51.7	0	0	0	0	110.6	F227 I231 A294 T364 Y365 Y368	F227-T298 HydrophobicContact CE2-CG2 3.69Å; F227-T298 HydrophobicContact CZ-CG2 4.34Å; I231-T298 HydrophobicContact CG2-CG2 4.29Å; I231-T298 WeakPolarHBondContact CG2-O 3.43Å; A294-T298 WeakPolarHBondContact O-CA 3.21Å; A294-T298 WeakPolarHBondContact O-CB 3.43Å; A294-T298 PolarHBondContact O-N 2.75Å; A294-T298 PolarHBondContact O-OG1 3.09Å; A294-T298 VanDerWaalsContact O-OG1 3.12Å; T298-T364 WeakPolarHBondContact CB-OG1 3.43Å; T298-T364 HydrophobicContact CG2-CG2 4.19Å; T298-T364 WeakPolarHBondContact CG2-OG1 3.34Å; T298-T364 WeakPolarHBondContact OG1-CB 3.38Å; T298-T364 PolarHBondContact OG1-OG1 2.9Å; T298-Y365 PolarHBondContact OG1-N 3.47Å; T298-Y368 VanDerWaalsContact C-CE1 3.44Å; T298-Y368 VanDerWaalsContact CA-CD1 3.48Å; T298-Y368 HydrophobicContact CG2-CD1 3.95Å; T298-Y368 HydrophobicContact CG2-CD2 3.74Å; T298-Y368 HydrophobicContact CG2-CE1 3.59Å; T298-Y368 HydrophobicContact CG2-CE2 3.4Å; T298-Y368 VanDerWaalsContact CG2-CE2 3.4Å; T298-Y368 HydrophobicContact CG2-CG 4Å
299	I	97.8	Very high	94.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.1	C	C	.	.			trans	-141.4	21.5	179.4	56.7	177.4	0	0	0	110.5	L226 F227 T230 F264 P271 E302 F303	L226-I299 HydrophobicContact CD2-CD1 3.8Å; L226-I299 HydrophobicContact CG-CD1 4.27Å; F227-I299 HydrophobicContact CD2-CG2 4.14Å; T230-I299 HydrophobicContact CG2-CB 3.78Å; T230-I299 HydrophobicContact CG2-CG2 3.78Å; F264-I299 HydrophobicContact CE1-CD1 4.05Å; F264-I299 HydrophobicContact CZ-CD1 3.55Å; P271-I299 HydrophobicContact CG-CD1 4.32Å; I299-E302 VanDerWaalsContact C-OE2 3.3Å; I299-F303 HydrophobicContact CB-CD2 4.3Å; I299-F303 HydrophobicContact CB-CE2 4.41Å; I299-F303 WeakPolarHBondContact O-CB 3.36Å; I299-F303 WeakPolarHBondContact O-CD2 3.44Å
300	Q	97.9	Very high	94.1	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-94.7	-38.7	-164.4	-55.4	-71.7	-49.2	0	0	111.6	T297 E302 R304 A319 F320 S323 Y368 Q372	T297-Q300 WeakPolarHBondContact O-CG 3.43Å; Q300-E302 VanDerWaalsContact C-N 3.33Å; Q300-E302 PolarHBondContact N-OE2 2.77Å; Q300-R304 WeakPolarHBondContact O-CB 3.4Å; Q300-R304 PolarHBondContact O-N 3.45Å; Q300-A319 VanDerWaalsContact NE2-C 3.3Å; Q300-A319 PolarHBondContact NE2-O 2.91Å; Q300-A319 PolarHBondContact OE1-O 2.83Å; Q300-A319 VanDerWaalsContact OE1-O 3.05Å; Q300-F320 VanDerWaalsContact OE1-CA 3.26Å; Q300-S323 PolarHBondContact OE1-OG 3.32Å; Q300-Y368 HydrophobicContact CB-CD1 4.16Å; Q300-Y368 HydrophobicContact CG-CD1 4.38Å; Q300-Q372 HydrophobicContact CB-CG 3.64Å; Q300-Q372 VanDerWaalsContact CB-OE1 3.3Å; Q300-Q372 HydrophobicContact CG-CG 4.32Å
301	L	96.9	Very high	93.4	Very high	31 Å²	31	18.2 Å²	18.2	16%	0.162	10%	0.103	C	C	.	.	H	α-helix	trans	-65.9	-43.2	-176.9	-58.2	179.6	0	0	0	110	E305 Y368 K371 Q372 Q375	L301-E305 VanDerWaalsContact O-CB 3.27Å; L301-E305 WeakPolarHBondContact O-CB 3.27Å; L301-E305 PolarHBondContact O-N 3.37Å; L301-Y368 HydrophobicContact CB-CE1 4.32Å; L301-Y368 HydrophobicContact CD1-CD1 4.46Å; L301-Y368 HydrophobicContact CD1-CD2 4.46Å; L301-Y368 HydrophobicContact CD1-CE1 4.02Å; L301-Y368 HydrophobicContact CD1-CE2 3.99Å; L301-Y368 HydrophobicContact CG-CD1 4.06Å; L301-Y368 HydrophobicContact CG-CE1 3.75Å; L301-K371 HydrophobicContact CD1-CB 3.87Å; L301-K371 HydrophobicContact CD1-CD 4.11Å; L301-K371 HydrophobicContact CD2-CB 4.08Å; L301-Q372 HydrophobicContact CD2-CG 4.08Å; L301-Q375 HydrophobicContact CD2-CB 4Å; L301-Q375 HydrophobicContact CD2-CG 4.39Å; L301-Q375 PolarHBondContact O-NE2 2.94Å
302	E	98.3	Very high	93	Very high	19 Å²	19	20.7 Å²	20.7	9%	0.089	12%	0.116	C	C	.	.	H	α-helix	trans	-70.3	-50	-176.8	-56.3	70.8	-152.1	0	0	110.8	T230 L234 L238 I299 Q300 R304 E305 L306 Y368	T230-E302 HydrophobicContact CG2-CB 3.69Å; T230-E302 HydrophobicContact CG2-CG 3.84Å; L234-E302 HydrophobicContact CD2-CB 3.96Å; L234-E302 HydrophobicContact CG-CB 4.13Å; L238-E302 HydrophobicContact CD1-CB 4.05Å; L238-E302 VanDerWaalsContact CD1-O 3.3Å; L238-E302 WeakPolarHBondContact CD1-O 3.24Å; I299-E302 VanDerWaalsContact C-OE2 3.3Å; Q300-E302 VanDerWaalsContact C-N 3.33Å; Q300-E302 PolarHBondContact N-OE2 2.77Å; E302-R304 VanDerWaalsContact C-N 3.35Å; E302-R304 PolarHBondContact O-N 2.84Å; E302-E305 PolarHBondContact O-N 2.6Å; E302-L306 WeakPolarHBondContact O-CB 3.45Å; E302-L306 PolarHBondContact O-N 2.86Å; E302-Y368 PolarHBondContact OE1-OH 3.27Å
303	F	98.6	Very high	92.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-37.7	178.3	-85.8	-103.3	0	0	0	111.9	L226 T230 L234 L260 L261 F264 I299 S307 Y315 E316 A319	L226-F303 HydrophobicContact CD1-CZ 4.29Å; T230-F303 HydrophobicContact CG2-CD2 3.84Å; T230-F303 HydrophobicContact CG2-CE2 3.74Å; L234-F303 HydrophobicContact CD2-CD2 4.3Å; L234-F303 HydrophobicContact CD2-CE2 4.31Å; L260-F303 HydrophobicContact CB-CZ 3.94Å; L260-F303 HydrophobicContact CD1-CZ 4.35Å; L261-F303 HydrophobicContact CD2-CE1 4.13Å; F264-F303 AromaticContact CE2-CE1 3.76Å; F264-F303 HydrophobicContact CE2-CE1 3.76Å; F264-F303 AromaticContact CE2-CZ 3.75Å; F264-F303 HydrophobicContact CE2-CZ 3.75Å; F264-F303 HydrophobicContact CZ-CE1 4.27Å; F264-F303 HydrophobicContact CZ-CZ 4.23Å; I299-F303 HydrophobicContact CB-CD2 4.3Å; I299-F303 HydrophobicContact CB-CE2 4.41Å; I299-F303 WeakPolarHBondContact O-CB 3.36Å; I299-F303 WeakPolarHBondContact O-CD2 3.44Å; F303-S307 PolarHBondContact O-N 2.88Å; F303-Y315 HydrophobicContact CD1-CD1 4.47Å; F303-Y315 WeakPolarHBondContact CD1-O 3.32Å; F303-Y315 VanDerWaalsContact O-CB 3.3Å; F303-Y315 WeakPolarHBondContact O-CB 3.28Å; F303-E316 PolarHBondContact O-N 2.89Å; F303-A319 HydrophobicContact CB-CB 3.61Å; F303-A319 HydrophobicContact CD1-CB 4.41Å; F303-A319 HydrophobicContact CG-CB 3.97Å
304	R	95.7	Very high	92.7	Very high	16 Å²	16	26.7 Å²	26.7	6%	0.06	16%	0.156	C	C	.	.	H	α-helix	trans	-64.4	-46	174.7	-177.8	173	-57.3	112.4	1	111.2	Q300 E302 S307 R308 E316 F320 Q372	Q300-R304 WeakPolarHBondContact O-CB 3.4Å; Q300-R304 PolarHBondContact O-N 3.45Å; E302-R304 VanDerWaalsContact C-N 3.35Å; E302-R304 PolarHBondContact O-N 2.84Å; R304-S307 WeakPolarHBondContact O-CB 3.22Å; R304-S307 PolarHBondContact O-N 3.38Å; R304-R308 PolarHBondContact O-N 2.69Å; R304-E316 HydrophobicContact CB-CG 4.23Å; R304-E316 WeakPolarHBondContact CD-OE1 3.2Å; R304-E316 HydrophobicContact CG-CG 4.14Å; R304-E316 IonicContact CZ-OE1 2.99Å; R304-E316 IonicContact NE-OE1 2.94Å; R304-E316 PolarHBondContact NE-OE1 3.09Å; R304-F320 VanDerWaalsContact NH2-CD2 3.35Å; R304-Q372 VanDerWaalsContact NH2-OE1 3.11Å
305	E	93	Very high	92.9	Very high	19 Å²	19	26.6 Å²	26.6	9%	0.089	16%	0.155	C	C	.	.	H	α-helix	trans	-66.1	-41.6	-179.5	-172.2	53.9	-146.4	0	0	111.6	L238 H242 L301 E302 S307 R308 L309	L238-E305 HydrophobicContact CD1-CB 4.34Å; H242-E305 IonicContact CE1-OE1 3.26Å; H242-E305 PolarHBondContact CE1-OE1 2.99Å; H242-E305 VanDerWaalsContact NE2-CD 3.28Å; H242-E305 VanDerWaalsContact NE2-CG 3.31Å; H242-E305 WeakPolarHBondContact NE2-CG 3.18Å; H242-E305 IonicContact NE2-OE1 3.57Å; H242-E305 PolarHBondContact NE2-OE1 3.17Å; L301-E305 VanDerWaalsContact O-CB 3.27Å; L301-E305 WeakPolarHBondContact O-CB 3.27Å; L301-E305 PolarHBondContact O-N 3.37Å; E302-E305 PolarHBondContact O-N 2.6Å; E305-S307 VanDerWaalsContact C-N 3.28Å; E305-S307 PolarHBondContact O-N 3.45Å; E305-R308 VanDerWaalsContact CD-NE 3.3Å; E305-R308 WeakPolarHBondContact O-CA 3.24Å; E305-R308 WeakPolarHBondContact O-CB 3.25Å; E305-R308 PolarHBondContact O-N 3.49Å; E305-R308 IonicContact OE1-CZ 2.73Å; E305-R308 IonicContact OE1-NE 2.85Å; E305-R308 PolarHBondContact OE1-NE 2.98Å; E305-R308 IonicContact OE1-NH2 3.29Å; E305-R308 PolarHBondContact OE1-NH2 3Å; E305-R308 IonicContact OE2-CZ 3.78Å; E305-R308 IonicContact OE2-NE 2.64Å; E305-R308 PolarHBondContact OE2-NE 3.4Å; E305-R308 IonicContact OE2-NH2 2.94Å; E305-R308 PolarHBondContact OE2-NH2 3.03Å; E305-L309 HydrophobicContact CG-CD1 4.1Å; E305-L309 HydrophobicContact CG-CG 4.32Å; E305-L309 WeakPolarHBondContact O-CG 3.27Å; E305-L309 PolarHBondContact O-N 3.24Å; E305-L309 WeakPolarHBondContact OE1-CD2 3.46Å; E305-L309 VanDerWaalsContact OE1-CG 3.28Å; E305-L309 WeakPolarHBondContact OE1-CG 3.26Å
306	L	96.5	Very high	92.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-41.6	173.2	-176.1	63.9	0	0	0	111.8	L234 L238 L250 A253 K254 E302 R308 T310 Y315	L234-L306 HydrophobicContact CD1-CD2 4.29Å; L234-L306 HydrophobicContact CD2-CD2 4.41Å; L238-L306 HydrophobicContact CD1-CB 4.43Å; L238-L306 HydrophobicContact CD2-CB 4.31Å; L238-L306 HydrophobicContact CD2-CD1 4.15Å; L250-L306 HydrophobicContact CD1-CD1 4.43Å; A253-L306 HydrophobicContact CB-CD1 4.13Å; K254-L306 HydrophobicContact CB-CD1 4.29Å; E302-L306 WeakPolarHBondContact O-CB 3.45Å; E302-L306 PolarHBondContact O-N 2.86Å; L306-R308 VanDerWaalsContact C-N 3.33Å; L306-R308 PolarHBondContact O-N 3.41Å; L306-T310 HydrophobicContact CD1-CG2 3.74Å; L306-T310 HydrophobicContact CG-CG2 4.3Å; L306-T310 WeakPolarHBondContact O-CB 3.5Å; L306-T310 VanDerWaalsContact O-CG2 3.29Å; L306-T310 WeakPolarHBondContact O-CG2 3.33Å; L306-T310 PolarHBondContact O-N 3.18Å; L306-T310 PolarHBondContact O-OG1 2.87Å; L306-Y315 HydrophobicContact CB-CD2 4.25Å; L306-Y315 HydrophobicContact CB-CG 4.48Å; L306-Y315 HydrophobicContact CD2-CD1 3.72Å; L306-Y315 HydrophobicContact CD2-CD2 3.78Å; L306-Y315 HydrophobicContact CD2-CE1 3.81Å; L306-Y315 HydrophobicContact CD2-CE2 3.84Å; L306-Y315 HydrophobicContact CD2-CG 3.72Å; L306-Y315 HydrophobicContact CG-CD2 3.67Å; L306-Y315 HydrophobicContact CG-CE2 3.78Å; L306-Y315 HydrophobicContact CG-CG 4.07Å
307	S	91.9	Very high	92.9	Very high	7 Å²	7	30.4 Å²	30.4	5%	0.049	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-40.7	172.7	-88	0	0	0	0	112.9	F303 R304 E305 G311 N312 Y315 E316	F303-S307 PolarHBondContact O-N 2.88Å; R304-S307 WeakPolarHBondContact O-CB 3.22Å; R304-S307 PolarHBondContact O-N 3.38Å; E305-S307 VanDerWaalsContact C-N 3.28Å; E305-S307 PolarHBondContact O-N 3.45Å; S307-G311 CarbonylContact O-C 3.48Å; S307-G311 VanDerWaalsContact O-CA 3.32Å; S307-G311 WeakPolarHBondContact O-CA 3.19Å; S307-G311 PolarHBondContact O-N 2.89Å; S307-N312 WeakPolarHBondContact CA-O 3.19Å; S307-N312 VanDerWaalsContact CB-O 3.3Å; S307-N312 WeakPolarHBondContact CB-O 2.97Å; S307-N312 PolarHBondContact O-N 3.49Å; S307-N312 PolarHBondContact OG-O 3.19Å; S307-Y315 WeakPolarHBondContact OG-CB 3.21Å; S307-Y315 PolarHBondContact OG-N 2.99Å; S307-E316 PolarHBondContact OG-N 3.01Å
308	R	83.8	Confident	93	Very high	97 Å²	97	31.2 Å²	31.2	37%	0.366	19%	0.19	S	C	.	.	H	α-helix	trans	-64.7	-49.8	178.8	-169.3	179.4	76.1	118.7	-5.1	111.6	Y133 H242 R304 E305 L306	Y133-R308 HydrophobicContact CD2-CG 4.16Å; Y133-R308 HydrophobicContact CE2-CG 3.6Å; H242-R308 PolarHBondContact CE1-NH2 2.82Å; H242-R308 VanDerWaalsContact CE1-NH2 3.33Å; R304-R308 PolarHBondContact O-N 2.69Å; E305-R308 VanDerWaalsContact CD-NE 3.3Å; E305-R308 WeakPolarHBondContact O-CA 3.24Å; E305-R308 WeakPolarHBondContact O-CB 3.25Å; E305-R308 PolarHBondContact O-N 3.49Å; E305-R308 IonicContact OE1-CZ 2.73Å; E305-R308 IonicContact OE1-NE 2.85Å; E305-R308 PolarHBondContact OE1-NE 2.98Å; E305-R308 IonicContact OE1-NH2 3.29Å; E305-R308 PolarHBondContact OE1-NH2 3Å; E305-R308 IonicContact OE2-CZ 3.78Å; E305-R308 IonicContact OE2-NE 2.64Å; E305-R308 PolarHBondContact OE2-NE 3.4Å; E305-R308 IonicContact OE2-NH2 2.94Å; E305-R308 PolarHBondContact OE2-NH2 3.03Å; L306-R308 VanDerWaalsContact C-N 3.33Å; L306-R308 PolarHBondContact O-N 3.41Å
309	L	84.1	Confident	93	Very high	37 Å²	37	31.2 Å²	31.2	19%	0.194	19%	0.19	C	C	.	.	H	α-helix	trans	-70.5	-36.2	-176.3	-65.1	179.3	0	0	0	113.1	L238 Y241 L250 E305	L238-L309 HydrophobicContact CD2-CD1 3.81Å; Y241-L309 HydrophobicContact CD1-CD1 3.5Å; Y241-L309 VanDerWaalsContact CD1-CD1 3.5Å; Y241-L309 HydrophobicContact CD1-CD2 4.26Å; Y241-L309 HydrophobicContact CD1-CG 4.46Å; Y241-L309 HydrophobicContact CE1-CD1 3.68Å; Y241-L309 HydrophobicContact CE1-CD2 3.62Å; Y241-L309 HydrophobicContact CE1-CG 4.18Å; L250-L309 HydrophobicContact CD1-CB 3.61Å; L250-L309 HydrophobicContact CD1-CD1 3.99Å; L250-L309 HydrophobicContact CD1-CG 4.47Å; L250-L309 HydrophobicContact CD2-CB 4.24Å; E305-L309 HydrophobicContact CG-CD1 4.1Å; E305-L309 HydrophobicContact CG-CG 4.32Å; E305-L309 WeakPolarHBondContact O-CG 3.27Å; E305-L309 PolarHBondContact O-N 3.24Å; E305-L309 WeakPolarHBondContact OE1-CD2 3.46Å; E305-L309 VanDerWaalsContact OE1-CG 3.28Å; E305-L309 WeakPolarHBondContact OE1-CG 3.26Å
310	T	85.3	Confident	93	Very high	44 Å²	44	33.1 Å²	33.1	27%	0.27	20%	0.198	S	C	.	.	H	α-helix	trans	-88.1	-15.2	-179.8	62.6	0	0	0	0	113.6	L250 K254 L306 N312 Y315	L250-T310 HydrophobicContact CD1-CG2 4.13Å; K254-T310 HydrophobicContact CB-CG2 4.12Å; K254-T310 HydrophobicContact CD-CG2 4.2Å; K254-T310 HydrophobicContact CG-CG2 4.04Å; L306-T310 HydrophobicContact CD1-CG2 3.74Å; L306-T310 HydrophobicContact CG-CG2 4.3Å; L306-T310 WeakPolarHBondContact O-CB 3.5Å; L306-T310 VanDerWaalsContact O-CG2 3.29Å; L306-T310 WeakPolarHBondContact O-CG2 3.33Å; L306-T310 PolarHBondContact O-N 3.18Å; L306-T310 PolarHBondContact O-OG1 2.87Å; T310-N312 PolarHBondContact O-N 3.04Å; T310-N312 WeakPolarHBondContact OG1-CB 3.49Å; T310-N312 PolarHBondContact OG1-N 3.47Å; T310-Y315 HydrophobicContact CG2-CE2 4.47Å
311	G	78.8	Confident	92.9	Very high	61 Å²	61	36.6 Å²	36.6	63%	0.629	22%	0.217	S	C	*	.			trans	68.3	9.2	-168.7	0	0	0	0	0	114.3	S307	S307-G311 CarbonylContact O-C 3.48Å; S307-G311 VanDerWaalsContact O-CA 3.32Å; S307-G311 WeakPolarHBondContact O-CA 3.19Å; S307-G311 PolarHBondContact O-N 2.89Å
312	N	85.7	Confident	93	Very high	52 Å²	52	35.1 Å²	35.1	28%	0.278	21%	0.209	S	C	.	.			trans	-98.8	101.4	179.2	179.9	4.2	0	0	0	110.8	S307 T310 T314 Y315	S307-N312 WeakPolarHBondContact CA-O 3.19Å; S307-N312 VanDerWaalsContact CB-O 3.3Å; S307-N312 WeakPolarHBondContact CB-O 2.97Å; S307-N312 PolarHBondContact O-N 3.49Å; S307-N312 PolarHBondContact OG-O 3.19Å; T310-N312 PolarHBondContact O-N 3.04Å; T310-N312 WeakPolarHBondContact OG1-CB 3.49Å; T310-N312 PolarHBondContact OG1-N 3.47Å; N312-T314 PolarHBondContact O-N 3.34Å; N312-T314 WeakPolarHBondContact OD1-CB 3.44Å; N312-T314 PolarHBondContact OD1-N 3.46Å; N312-T314 VanDerWaalsContact OD1-N 3.09Å; N312-T314 PolarHBondContact OD1-OG1 2.81Å; N312-Y315 HydrophobicContact CB-CD2 4.32Å; N312-Y315 HydrophobicContact CB-CE2 3.82Å; N312-Y315 WeakPolarHBondContact O-CD2 3.47Å
313	S	90.3	Very high	92.9	Very high	64 Å²	64	34.5 Å²	34.5	45%	0.448	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-6.7	-179.9	58	0	0	0	0	115.8	Y315 A317	S313-Y315 VanDerWaalsContact C-N 3.34Å; S313-Y315 PolarHBondContact O-N 3.41Å; S313-A317 WeakPolarHBondContact O-CB 3.4Å; S313-A317 PolarHBondContact O-N 3.39Å
314	T	94.6	Very high	92.7	Very high	65 Å²	65	36.5 Å²	36.5	40%	0.399	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-38.6	-175.3	-55.7	0	0	0	0	112.4	L261 N312 A318	L261-T314 HydrophobicContact CD1-CG2 3.85Å; L261-T314 HydrophobicContact CD2-CG2 4.27Å; N312-T314 PolarHBondContact O-N 3.34Å; N312-T314 WeakPolarHBondContact OD1-CB 3.44Å; N312-T314 PolarHBondContact OD1-N 3.46Å; N312-T314 VanDerWaalsContact OD1-N 3.09Å; N312-T314 PolarHBondContact OD1-OG1 2.81Å; T314-A318 WeakPolarHBondContact O-CB 3.33Å; T314-A318 PolarHBondContact O-N 3.17Å
315	Y	97.5	Very high	92.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.1	-55.2	-178	-48.1	-68.8	0	0	0	111.1	D258 L261 F303 L306 S307 T310 N312 S313 A317 A318 A319	D258-Y315 WeakPolarHBondContact OD1-CE1 3.4Å; D258-Y315 PolarHBondContact OD1-OH 2.95Å; L261-Y315 HydrophobicContact CD1-CD1 3.8Å; L261-Y315 HydrophobicContact CD1-CE1 3.69Å; L261-Y315 HydrophobicContact CD2-CD1 4.18Å; L261-Y315 HydrophobicContact CG-CD1 3.99Å; L261-Y315 HydrophobicContact CG-CE1 4.24Å; F303-Y315 HydrophobicContact CD1-CD1 4.47Å; F303-Y315 WeakPolarHBondContact CD1-O 3.32Å; F303-Y315 VanDerWaalsContact O-CB 3.3Å; F303-Y315 WeakPolarHBondContact O-CB 3.28Å; L306-Y315 HydrophobicContact CB-CD2 4.25Å; L306-Y315 HydrophobicContact CB-CG 4.48Å; L306-Y315 HydrophobicContact CD2-CD1 3.72Å; L306-Y315 HydrophobicContact CD2-CD2 3.78Å; L306-Y315 HydrophobicContact CD2-CE1 3.81Å; L306-Y315 HydrophobicContact CD2-CE2 3.84Å; L306-Y315 HydrophobicContact CD2-CG 3.72Å; L306-Y315 HydrophobicContact CG-CD2 3.67Å; L306-Y315 HydrophobicContact CG-CE2 3.78Å; L306-Y315 HydrophobicContact CG-CG 4.07Å; S307-Y315 WeakPolarHBondContact OG-CB 3.21Å; S307-Y315 PolarHBondContact OG-N 2.99Å; T310-Y315 HydrophobicContact CG2-CE2 4.47Å; N312-Y315 HydrophobicContact CB-CD2 4.32Å; N312-Y315 HydrophobicContact CB-CE2 3.82Å; N312-Y315 WeakPolarHBondContact O-CD2 3.47Å; S313-Y315 VanDerWaalsContact C-N 3.34Å; S313-Y315 PolarHBondContact O-N 3.41Å; Y315-A317 VanDerWaalsContact C-N 3.32Å; Y315-A317 PolarHBondContact O-N 3.17Å; Y315-A318 PolarHBondContact O-N 3.34Å; Y315-A319 PolarHBondContact O-N 3.23Å; Y315-A319 VanDerWaalsContact O-N 3.09Å
316	E	95.6	Very high	92.8	Very high	63 Å²	63	36.7 Å²	36.7	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-57.4	-45.5	174.9	-175.6	174.8	-165.5	0	0	111.3	F303 R304 S307 A318 A319 F320	F303-E316 PolarHBondContact O-N 2.89Å; R304-E316 HydrophobicContact CB-CG 4.23Å; R304-E316 WeakPolarHBondContact CD-OE1 3.2Å; R304-E316 HydrophobicContact CG-CG 4.14Å; R304-E316 IonicContact CZ-OE1 2.99Å; R304-E316 IonicContact NE-OE1 2.94Å; R304-E316 PolarHBondContact NE-OE1 3.09Å; S307-E316 PolarHBondContact OG-N 3.01Å; E316-A318 VanDerWaalsContact C-N 3.28Å; E316-A318 PolarHBondContact O-N 3.43Å; E316-A319 PolarHBondContact O-N 2.86Å; E316-F320 HydrophobicContact CG-CB 4.29Å; E316-F320 WeakPolarHBondContact O-CA 3.37Å; E316-F320 WeakPolarHBondContact O-CB 3.21Å; E316-F320 PolarHBondContact O-N 3.04Å
317	A	95.5	Very high	92.7	Very high	59 Å²	59	39.4 Å²	39.4	49%	0.488	23%	0.233	S	C	.	.	H	α-helix	trans	-60.1	-39.5	-179.4	0	0	0	0	0	112.2	S313 Y315 N321	S313-A317 WeakPolarHBondContact O-CB 3.4Å; S313-A317 PolarHBondContact O-N 3.39Å; Y315-A317 VanDerWaalsContact C-N 3.32Å; Y315-A317 PolarHBondContact O-N 3.17Å; A317-N321 WeakPolarHBondContact O-CB 3.25Å; A317-N321 PolarHBondContact O-N 3.45Å
318	A	97.7	Very high	92.9	Very high	19 Å²	19	44.1 Å²	44.1	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-53	177.3	0	0	0	0	0	111.4	L261 F264 T314 Y315 E316	L261-A318 HydrophobicContact CD2-CB 3.76Å; F264-A318 HydrophobicContact CB-CB 4.42Å; F264-A318 HydrophobicContact CD1-CB 4.06Å; F264-A318 HydrophobicContact CD2-CB 4.11Å; F264-A318 HydrophobicContact CE1-CB 4.31Å; F264-A318 HydrophobicContact CE2-CB 4.35Å; F264-A318 HydrophobicContact CG-CB 3.94Å; F264-A318 HydrophobicContact CZ-CB 4.43Å; T314-A318 WeakPolarHBondContact O-CB 3.33Å; T314-A318 PolarHBondContact O-N 3.17Å; Y315-A318 PolarHBondContact O-N 3.34Å; E316-A318 VanDerWaalsContact C-N 3.28Å; E316-A318 PolarHBondContact O-N 3.43Å
319	A	98	Very high	93.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-64.9	-49.7	-179.2	0	0	0	0	0	111.8	F264 Q300 F303 Y315 E316 N321 V322 S323	F264-A319 HydrophobicContact CZ-CB 4.42Å; Q300-A319 VanDerWaalsContact NE2-C 3.3Å; Q300-A319 PolarHBondContact NE2-O 2.91Å; Q300-A319 PolarHBondContact OE1-O 2.83Å; Q300-A319 VanDerWaalsContact OE1-O 3.05Å; F303-A319 HydrophobicContact CB-CB 3.61Å; F303-A319 HydrophobicContact CD1-CB 4.41Å; F303-A319 HydrophobicContact CG-CB 3.97Å; Y315-A319 PolarHBondContact O-N 3.23Å; Y315-A319 VanDerWaalsContact O-N 3.09Å; E316-A319 PolarHBondContact O-N 2.86Å; A319-N321 VanDerWaalsContact C-N 3.31Å; A319-N321 PolarHBondContact O-N 2.81Å; A319-V322 WeakPolarHBondContact O-CA 3.24Å; A319-V322 WeakPolarHBondContact O-CB 3.38Å; A319-V322 WeakPolarHBondContact O-CG2 3.24Å; A319-V322 PolarHBondContact O-N 3.36Å; A319-S323 PolarHBondContact O-N 3.3Å
320	F	96.6	Very high	93.6	Very high	41 Å²	41	47.6 Å²	47.6	18%	0.18	27%	0.27	C	S	.	.	H	α-helix	trans	-71	-24.7	-173.7	-168.5	-111.3	0	0	0	113.7	Q300 R304 E316 V322 S323 T324 I380 W382 L383	Q300-F320 VanDerWaalsContact OE1-CA 3.26Å; R304-F320 VanDerWaalsContact NH2-CD2 3.35Å; E316-F320 HydrophobicContact CG-CB 4.29Å; E316-F320 WeakPolarHBondContact O-CA 3.37Å; E316-F320 WeakPolarHBondContact O-CB 3.21Å; E316-F320 PolarHBondContact O-N 3.04Å; F320-V322 PolarHBondContact O-N 2.94Å; F320-S323 PolarHBondContact O-N 2.85Å; F320-T324 PolarHBondContact O-N 2.69Å; F320-T324 PolarHBondContact O-OG1 2.98Å; F320-I380 HydrophobicContact CE1-CD1 4.45Å; F320-I380 HydrophobicContact CE2-CD1 3.88Å; F320-I380 HydrophobicContact CZ-CD1 3.61Å; F320-I380 HydrophobicContact CZ-CG2 4.18Å; F320-W382 HydrophobicContact CE1-CZ2 4.12Å; F320-W382 AromaticContact CE2-CH2 3.9Å; F320-W382 HydrophobicContact CE2-CH2 3.9Å; F320-W382 AromaticContact CE2-CZ2 3.74Å; F320-W382 HydrophobicContact CE2-CZ2 3.74Å; F320-W382 AromaticContact CZ-CH2 3.95Å; F320-W382 HydrophobicContact CZ-CH2 3.95Å; F320-W382 AromaticContact CZ-CZ2 3.29Å; F320-W382 HydrophobicContact CZ-CZ2 3.29Å; F320-L383 HydrophobicContact CE2-CD1 4.47Å
321	N	97.3	Very high	93.9	Very high	73 Å²	73	45.9 Å²	45.9	39%	0.39	26%	0.26	S	S	.	.	H	α-helix	trans	-59	-34.9	168.1	179.2	47.8	0	0	0	111.5	A317 A319 T324 K325	A317-N321 WeakPolarHBondContact O-CB 3.25Å; A317-N321 PolarHBondContact O-N 3.45Å; A319-N321 VanDerWaalsContact C-N 3.31Å; A319-N321 PolarHBondContact O-N 2.81Å; N321-T324 PolarHBondContact O-N 3.5Å; N321-K325 WeakPolarHBondContact O-CD 3.43Å; N321-K325 VanDerWaalsContact O-CG 3.32Å; N321-K325 WeakPolarHBondContact O-CG 3.21Å; N321-K325 PolarHBondContact O-N 2.98Å
322	V	97.2	Very high	94.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.8	-48.3	174.4	-170.9	0	0	0	0	110.9	F264 I270 V296 A319 F320 T324 K325 V326	F264-V322 HydrophobicContact CD1-CG2 4.11Å; F264-V322 HydrophobicContact CE1-CG2 3.85Å; I270-V322 HydrophobicContact CG1-CG1 4.45Å; V296-V322 HydrophobicContact CB-CG1 4.04Å; V296-V322 HydrophobicContact CG2-CG1 4.01Å; V296-V322 WeakPolarHBondContact O-CG1 3.34Å; A319-V322 WeakPolarHBondContact O-CA 3.24Å; A319-V322 WeakPolarHBondContact O-CB 3.38Å; A319-V322 WeakPolarHBondContact O-CG2 3.24Å; A319-V322 PolarHBondContact O-N 3.36Å; F320-V322 PolarHBondContact O-N 2.94Å; V322-T324 VanDerWaalsContact C-N 3.28Å; V322-T324 PolarHBondContact O-N 3.46Å; V322-K325 WeakPolarHBondContact O-CB 3.26Å; V322-K325 PolarHBondContact O-N 3.44Å; V322-K325 VanDerWaalsContact O-N 3.08Å; V322-V326 WeakPolarHBondContact O-CG2 3.44Å; V322-V326 PolarHBondContact O-N 2.74Å
323	S	96.3	Very high	94.7	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-56.4	-43.7	175.7	-64.4	0	0	0	0	111.6	Q300 A319 F320 K325 V326 H327	Q300-S323 PolarHBondContact OE1-OG 3.32Å; A319-S323 PolarHBondContact O-N 3.3Å; F320-S323 PolarHBondContact O-N 2.85Å; S323-K325 VanDerWaalsContact C-N 3.34Å; S323-K325 PolarHBondContact O-N 3.45Å; S323-V326 PolarHBondContact O-N 3.17Å; S323-H327 WeakPolarHBondContact O-CB 3.23Å; S323-H327 PolarHBondContact O-N 3.41Å
324	T	96	Very high	94.9	Very high	42 Å²	42	48.4 Å²	48.4	26%	0.258	25%	0.246	S	C	.	.	H	α-helix	trans	-62.7	-38.3	176.9	-57.2	0	0	0	0	112.2	F320 N321 V322 N328	F320-T324 PolarHBondContact O-N 2.69Å; F320-T324 PolarHBondContact O-OG1 2.98Å; N321-T324 PolarHBondContact O-N 3.5Å; V322-T324 VanDerWaalsContact C-N 3.28Å; V322-T324 PolarHBondContact O-N 3.46Å; T324-N328 WeakPolarHBondContact O-CB 3.41Å; T324-N328 PolarHBondContact O-N 3.06Å; T324-N328 PolarHBondContact O-ND2 2.74Å; T324-N328 VanDerWaalsContact O-ND2 3.1Å
325	K	95.2	Very high	94.9	Very high	38 Å²	38	47 Å²	47	17%	0.165	24%	0.24	C	C	.	.	H	α-helix	trans	-66.6	-45.4	174.9	-76.5	161.8	164.5	-81.8	0	112.3	S268 I270 N321 V322 S323 H327 N328 M329 S347	S268-K325 VanDerWaalsContact C-NZ 3.28Å; S268-K325 WeakPolarHBondContact O-CE 2.99Å; S268-K325 PolarHBondContact O-NZ 3.09Å; I270-K325 HydrophobicContact CG1-CD 4.04Å; N321-K325 WeakPolarHBondContact O-CD 3.43Å; N321-K325 VanDerWaalsContact O-CG 3.32Å; N321-K325 WeakPolarHBondContact O-CG 3.21Å; N321-K325 PolarHBondContact O-N 2.98Å; V322-K325 WeakPolarHBondContact O-CB 3.26Å; V322-K325 PolarHBondContact O-N 3.44Å; V322-K325 VanDerWaalsContact O-N 3.08Å; S323-K325 VanDerWaalsContact C-N 3.34Å; S323-K325 PolarHBondContact O-N 3.45Å; K325-H327 VanDerWaalsContact C-N 3.32Å; K325-N328 PolarHBondContact O-N 3.48Å; K325-M329 WeakPolarHBondContact O-CB 3.38Å; K325-M329 WeakPolarHBondContact O-CG 3.29Å; K325-M329 PolarHBondContact O-N 3.38Å; K325-S347 PolarHBondContact NZ-OG 2.87Å; K325-S347 VanDerWaalsContact NZ-OG 3.09Å
326	V	95	Very high	94.8	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-46.3	177.9	170	0	0	0	0	110.3	T297 V322 S323 N328 M329 R330 W349 Y365	T297-V326 HydrophobicContact CG2-CG2 3.85Å; V322-V326 WeakPolarHBondContact O-CG2 3.44Å; V322-V326 PolarHBondContact O-N 2.74Å; S323-V326 PolarHBondContact O-N 3.17Å; V326-N328 PolarHBondContact O-N 2.93Å; V326-M329 HydrophobicContact CB-CE 4.36Å; V326-M329 HydrophobicContact CG2-CE 3.89Å; V326-M329 PolarHBondContact O-N 3.28Å; V326-R330 PolarHBondContact O-N 3.3Å; V326-W349 HydrophobicContact CG1-CH2 3.97Å; V326-W349 HydrophobicContact CG1-CZ2 3.97Å; V326-W349 HydrophobicContact CG2-CH2 4.31Å; V326-Y365 HydrophobicContact CG1-CE2 3.78Å; V326-Y365 WeakPolarHBondContact CG1-OH 3.38Å
327	H	94.9	Very high	94.8	Very high	56 Å²	56	44.4 Å²	44.4	26%	0.259	23%	0.229	S	C	.	.	H	α-helix	trans	-53.3	-51.4	171.4	176.5	65	0	0	0	112	S323 K325 M329 R330 W382 D386	S323-H327 WeakPolarHBondContact O-CB 3.23Å; S323-H327 PolarHBondContact O-N 3.41Å; K325-H327 VanDerWaalsContact C-N 3.32Å; H327-M329 PolarHBondContact O-N 3.46Å; H327-R330 PolarHBondContact O-N 3.2Å; H327-W382 HydrophobicContact CB-CD2 4.49Å; H327-W382 HydrophobicContact CB-CE3 3.86Å; H327-W382 HydrophobicContact CB-CH2 4.27Å; H327-W382 HydrophobicContact CB-CZ3 3.76Å; H327-W382 AromaticContact CG-CD2 3.97Å; H327-W382 AromaticContact CG-CE3 3.65Å; H327-W382 AromaticContact ND1-CE3 3.61Å; H327-D386 IonicContact CE1-OD1 3.78Å; H327-D386 IonicContact CE1-OD2 2.81Å; H327-D386 IonicContact CG-OD2 3.92Å; H327-D386 IonicContact ND1-OD1 2.9Å; H327-D386 PolarHBondContact ND1-OD1 3.05Å; H327-D386 IonicContact ND1-OD2 3.75Å; H327-D386 PolarHBondContact ND1-OD2 3.2Å
328	N	95.2	Very high	94.9	Very high	107 Å²	107	41.6 Å²	41.6	57%	0.572	21%	0.206	S	C	*	.	H	α-helix	trans	-69.1	-31.4	-177.7	-74.1	-28.9	0	0	0	114.4	T324 K325 V326 R330	T324-N328 WeakPolarHBondContact O-CB 3.41Å; T324-N328 PolarHBondContact O-N 3.06Å; T324-N328 PolarHBondContact O-ND2 2.74Å; T324-N328 VanDerWaalsContact O-ND2 3.1Å; K325-N328 PolarHBondContact O-N 3.48Å; V326-N328 PolarHBondContact O-N 2.93Å; N328-R330 PolarHBondContact O-N 2.83Å
329	M	94.2	Very high	94.8	Very high	41 Å²	41	40.7 Å²	40.7	20%	0.202	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-25.3	174.9	-76.9	-174.4	-68.1	0	0	112	K325 V326 H327 V342 W349	K325-M329 WeakPolarHBondContact O-CB 3.38Å; K325-M329 WeakPolarHBondContact O-CG 3.29Å; K325-M329 PolarHBondContact O-N 3.38Å; V326-M329 HydrophobicContact CB-CE 4.36Å; V326-M329 HydrophobicContact CG2-CE 3.89Å; V326-M329 PolarHBondContact O-N 3.28Å; H327-M329 PolarHBondContact O-N 3.46Å; M329-V342 HydrophobicContact CE-CG2 3.8Å; M329-V342 HydrophobicContact SD-CG2 4.13Å; M329-W349 HydrophobicContact CB-CZ2 4.39Å; M329-W349 HydrophobicContact CE-CH2 4.24Å; M329-W349 HydrophobicContact CE-CZ2 3.93Å
330	R	88.5	Confident	94.7	Very high	166 Å²	166	41.7 Å²	41.7	63%	0.626	20%	0.203	S	C	*	.			trans	61.9	140.5	-179.1	-54	176.3	176.7	-178.4	-4.1	113.1	V326 H327 N328 W349	V326-R330 PolarHBondContact O-N 3.3Å; H327-R330 PolarHBondContact O-N 3.2Å; N328-R330 PolarHBondContact O-N 2.83Å; R330-W349 PolarHBondContact O-NE1 3.09Å
331	C	91.7	Very high	94.6	Very high	8 Å²	8	41.8 Å²	41.8	5%	0.054	20%	0.204	C	C	.	.			trans	-107.8	56.2	177.4	-60.2	0	0	0	0	111.1	G336 C338 W349	C331-G336 WeakPolarHBondContact CB-O 3.31Å; C331-G336 CarbonylContact O-C 3.55Å; C331-G336 WeakPolarHBondContact O-CA 3.49Å; C331-G336 PolarHBondContact O-N 2.89Å; C331-C338 HydrophobicContact CB-CB 3.98Å; C331-C338 WeakPolarHBondContact CB-SG 3.1Å; C331-C338 VanDerWaalsContact SG-CA 3.59Å; C331-C338 WeakPolarHBondContact SG-CB 3.03Å; C331-C338 CovalentContact SG-SG 2.02Å; C331-C338 PolarHBondContact SG-SG 3.36Å; C331-W349 WeakPolarHBondContact SG-CZ2 3.21Å
332	N	89.1	Confident	94.5	Very high	85 Å²	85	38.3 Å²	38.3	46%	0.455	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-31.5	-165.1	-73.8	-19.3	0	0	0	115	Y334 S335 K389	N332-Y334 PolarHBondContact O-N 3.25Å; N332-S335 PolarHBondContact O-N 2.96Å; N332-K389 PolarHBondContact OD1-NZ 2.64Å
333	K	92.4	Very high	94.4	Very high	116 Å²	116	38.7 Å²	38.7	50%	0.504	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-39	-172.6	-173.2	179.6	177	-176.6	0	112.3	Y351	K333-Y351 HydrophobicContact CB-CD1 4.35Å; K333-Y351 HydrophobicContact CB-CE1 3.58Å; K333-Y351 HydrophobicContact CD-CD1 3.48Å; K333-Y351 VanDerWaalsContact CD-CD1 3.48Å; K333-Y351 HydrophobicContact CD-CE1 3.63Å; K333-Y351 HydrophobicContact CD-CG 4.09Å; K333-Y351 HydrophobicContact CG-CE1 4.18Å
334	Y	95.2	Very high	94.3	Very high	28 Å²	28	38.6 Å²	38.6	11%	0.11	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-121.8	46.8	-179.7	-61	-74.3	0	0	0	111.6	N332 G336 L337 Y351 I356 I413	N332-Y334 PolarHBondContact O-N 3.25Å; Y334-G336 PolarHBondContact O-N 2.95Å; Y334-L337 WeakPolarHBondContact O-CB 3.47Å; Y334-L337 WeakPolarHBondContact O-CG 3.38Å; Y334-L337 PolarHBondContact O-N 2.9Å; Y334-L337 VanDerWaalsContact O-N 3.11Å; Y334-Y351 HydrophobicContact CD2-CE1 4.42Å; Y334-I356 HydrophobicContact CD2-CD1 3.63Å; Y334-I356 HydrophobicContact CD2-CG1 3.45Å; Y334-I356 VanDerWaalsContact CD2-CG1 3.45Å; Y334-I356 HydrophobicContact CE2-CD1 3.96Å; Y334-I356 HydrophobicContact CE2-CG1 3.56Å; Y334-I356 HydrophobicContact CG-CG1 4.18Å; Y334-I413 HydrophobicContact CD1-CD1 3.77Å; Y334-I413 HydrophobicContact CE1-CD1 3.82Å; Y334-I413 HydrophobicContact CE1-CG2 4.27Å; Y334-I413 HydrophobicContact CG-CD1 4.38Å
335	S	93.9	Very high	94.1	Very high	37 Å²	37	40 Å²	40	26%	0.259	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	41.1	169.2	-56	0	0	0	0	115.1	N332 K389 H397	N332-S335 PolarHBondContact O-N 2.96Å; S335-K389 CarbonylContact O-C 3.59Å; S335-K389 WeakPolarHBondContact O-CG 3.38Å; S335-H397 PolarHBondContact OG-NE2 3.45Å; S335-H397 VanDerWaalsContact OG-NE2 3.17Å
336	G	94.7	Very high	94	Very high	7 Å²	7	45 Å²	45	7%	0.072	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.6	-11.5	-178.8	0	0	0	0	0	114.4	C331 Y334	C331-G336 WeakPolarHBondContact CB-O 3.31Å; C331-G336 CarbonylContact O-C 3.55Å; C331-G336 WeakPolarHBondContact O-CA 3.49Å; C331-G336 PolarHBondContact O-N 2.89Å; Y334-G336 PolarHBondContact O-N 2.95Å
337	L	96.7	Very high	93.7	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-83	126.2	176.1	-57	170.6	0	0	0	111.2	Y334 I356 Y366 G393 M394 H397 L398	Y334-L337 WeakPolarHBondContact O-CB 3.47Å; Y334-L337 WeakPolarHBondContact O-CG 3.38Å; Y334-L337 PolarHBondContact O-N 2.9Å; Y334-L337 VanDerWaalsContact O-N 3.11Å; L337-I356 HydrophobicContact CB-CG2 3.5Å; L337-I356 VanDerWaalsContact CB-CG2 3.5Å; L337-I356 HydrophobicContact CD1-CG2 3.91Å; L337-I356 HydrophobicContact CG-CG2 4.27Å; L337-Y366 WeakPolarHBondContact CA-OH 3.19Å; L337-Y366 HydrophobicContact CD2-CE1 3.96Å; L337-G393 WeakPolarHBondContact CD1-O 3.4Å; L337-M394 HydrophobicContact CD2-CE 4.48Å; L337-M394 HydrophobicContact CD2-CG 3.8Å; L337-H397 HydrophobicContact CD1-CB 4.25Å; L337-L398 HydrophobicContact CD1-CD1 3.66Å; L337-L398 HydrophobicContact CD1-CD2 4.24Å; L337-L398 HydrophobicContact CD1-CG 3.63Å; L337-L398 HydrophobicContact CD2-CD1 4.09Å; L337-L398 HydrophobicContact CG-CD1 4.49Å
338	C	96.2	Very high	93.6	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-95.9	146.3	-174.6	-53	0	0	0	0	111.1	L293 C331 W349 Y365 Y366	L293-C338 HydrophobicContact CD1-CB 4.38Å; L293-C338 HydrophobicContact CD2-CB 3.66Å; C331-C338 HydrophobicContact CB-CB 3.98Å; C331-C338 WeakPolarHBondContact CB-SG 3.1Å; C331-C338 VanDerWaalsContact SG-CA 3.59Å; C331-C338 WeakPolarHBondContact SG-CB 3.03Å; C331-C338 CovalentContact SG-SG 2.02Å; C331-C338 PolarHBondContact SG-SG 3.36Å; C338-W349 HydrophobicContact CB-CH2 3.77Å; C338-W349 HydrophobicContact CB-CZ2 4.04Å; C338-W349 HydrophobicContact CB-CZ3 4.12Å; C338-Y365 HydrophobicContact CB-CE1 4.4Å; C338-Y365 VanDerWaalsContact SG-CE1 3.51Å; C338-Y366 PolarHBondContact N-OH 3.09Å
339	P	96.2	Very high	93.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-58.4	141.6	168	-29.7	41.1	0	0	0	113	F341 W349 Y351 I356	P339-F341 PolarHBondContact O-N 3.35Å; P339-W349 HydrophobicContact CB-CE3 4.14Å; P339-W349 HydrophobicContact CG-CB 4.04Å; P339-W349 HydrophobicContact CG-CD2 4.34Å; P339-W349 HydrophobicContact CG-CE3 4.26Å; P339-W349 HydrophobicContact CG-CG 4.26Å; P339-Y351 HydrophobicContact CG-CD1 3.49Å; P339-Y351 VanDerWaalsContact CG-CD1 3.49Å; P339-Y351 HydrophobicContact CG-CD2 4.38Å; P339-Y351 HydrophobicContact CG-CE1 3.26Å; P339-Y351 HydrophobicContact CG-CE2 4.18Å; P339-Y351 HydrophobicContact CG-CG 4.07Å; P339-I356 HydrophobicContact CB-CD1 4.43Å; P339-I356 HydrophobicContact CG-CD1 4.06Å
340	M	95.3	Very high	93.2	Very high	22 Å²	22	45.8 Å²	45.8	11%	0.108	21%	0.211	C	C	.	.	S	Bend	trans	-60.4	-18	177.7	64.7	171.4	39.9	0	0	114.7	S292 L293 T355 T357 R361 S362	S292-M340 CarbonylContact C-O 3.59Å; S292-M340 WeakPolarHBondContact CA-O 3.37Å; L293-M340 PolarHBondContact N-O 3.42Å; M340-T355 HydrophobicContact CE-CG2 4.18Å; M340-T355 WeakPolarHBondContact CG-O 3.49Å; M340-T355 PolarHBondContact N-O 2.91Å; M340-T355 VanDerWaalsContact N-O 3.17Å; M340-T357 HydrophobicContact CE-CG2 3.56Å; M340-R361 HydrophobicContact CB-CB 4.39Å; M340-S362 WeakPolarHBondContact CA-OG 3.47Å; M340-S362 WeakPolarHBondContact CB-OG 3.25Å
341	F	95.3	Very high	93.1	Very high	44 Å²	44	40.8 Å²	40.8	19%	0.193	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.3	-179.9	-62.4	-57.3	0	0	0	112.8	F290 A291 P339 N350 S354	F290-F341 HydrophobicContact CB-CB 3.95Å; F290-F341 HydrophobicContact CB-CD1 4.35Å; F290-F341 HydrophobicContact CB-CG 4.35Å; F290-F341 HydrophobicContact CD1-CB 4.42Å; F290-F341 HydrophobicContact CG-CB 4.3Å; A291-F341 WeakPolarHBondContact O-CA 3.45Å; P339-F341 PolarHBondContact O-N 3.35Å; F341-N350 PolarHBondContact O-N 2.82Å; F341-S354 VanDerWaalsContact CB-OG 3.28Å; F341-S354 WeakPolarHBondContact CB-OG 3.42Å; F341-S354 WeakPolarHBondContact CD2-OG 3.39Å; F341-S354 PolarHBondContact N-OG 3.35Å
342	V	94.9	Very high	92.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.8	174.9	62	0	0	0	0	110.5	I270 F290 A291 V296 M329 I344 W349	I270-V342 HydrophobicContact CD1-CG2 3.78Å; I270-V342 HydrophobicContact CG2-CG1 4.43Å; F290-V342 VanDerWaalsContact CA-O 3.26Å; F290-V342 WeakPolarHBondContact CA-O 3.1Å; A291-V342 HydrophobicContact CB-CG1 4.44Å; A291-V342 PolarHBondContact N-O 2.86Å; A291-V342 PolarHBondContact O-N 3.33Å; V296-V342 HydrophobicContact CG2-CG1 4.03Å; M329-V342 HydrophobicContact CE-CG2 3.8Å; M329-V342 HydrophobicContact SD-CG2 4.13Å; V342-I344 PolarHBondContact O-N 3.31Å; V342-W349 HydrophobicContact CB-CE3 4.06Å; V342-W349 HydrophobicContact CB-CZ3 3.83Å; V342-W349 HydrophobicContact CG2-CE3 4.33Å; V342-W349 HydrophobicContact CG2-CZ3 4.25Å
343	N	95.3	Very high	92.7	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.043	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	121.4	177	-170.2	-81.1	0	0	0	110.6	F290 E345 K346 S347 K348	F290-N343 HydrophobicContact CD1-CB 3.96Å; F290-N343 HydrophobicContact CE1-CB 3.84Å; N343-E345 PolarHBondContact O-N 2.7Å; N343-E345 PolarHBondContact OD1-N 3.31Å; N343-K346 HydrophobicContact CB-CB 4.23Å; N343-K346 VanDerWaalsContact OD1-CB 3.28Å; N343-K346 WeakPolarHBondContact OD1-CB 3.47Å; N343-K346 WeakPolarHBondContact OD1-CG 3.35Å; N343-K346 PolarHBondContact OD1-N 3.1Å; N343-S347 WeakPolarHBondContact O-CA 3.2Å; N343-S347 PolarHBondContact O-N 2.79Å; N343-K348 WeakPolarHBondContact CB-O 3.36Å; N343-K348 PolarHBondContact N-O 2.64Å
344	I	94.2	Very high	92.8	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.015	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-46.5	-173.9	-64.4	174.8	0	0	0	111.3	T266 S268 I270 Y272 N284 Q289 A291 V342	T266-I344 HydrophobicContact CG2-CG2 3.69Å; S268-I344 WeakPolarHBondContact CB-O 2.96Å; S268-I344 PolarHBondContact OG-O 2.82Å; I270-I344 HydrophobicContact CG2-CG1 4.48Å; I270-I344 WeakPolarHBondContact O-CG2 3.42Å; Y272-I344 HydrophobicContact CD1-CD1 4.03Å; Y272-I344 HydrophobicContact CD1-CG2 4.28Å; Y272-I344 HydrophobicContact CE1-CG2 4.26Å; N284-I344 HydrophobicContact CB-CD1 4.21Å; N284-I344 WeakPolarHBondContact ND2-CD1 3.23Å; Q289-I344 PolarHBondContact O-N 3.2Å; Q289-I344 VanDerWaalsContact O-N 3.12Å; A291-I344 HydrophobicContact CB-CD1 4.03Å; A291-I344 HydrophobicContact CB-CG1 3.81Å; V342-I344 PolarHBondContact O-N 3.31Å
345	E	92.3	Very high	92.9	Very high	72 Å²	72	38.8 Å²	38.8	34%	0.336	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-37.2	-173.4	-62	-67.1	-172.2	0	0	112.8	S267 S268 Y272 N343	S267-E345 WeakPolarHBondContact CB-OE2 3.48Å; S267-E345 PolarHBondContact N-OE2 3.48Å; S267-E345 PolarHBondContact OG-O 3.44Å; S267-E345 PolarHBondContact OG-OE2 2.99Å; S268-E345 WeakPolarHBondContact CB-O 3.25Å; Y272-E345 PolarHBondContact OH-OE1 2.81Å; N343-E345 PolarHBondContact O-N 2.7Å; N343-E345 PolarHBondContact OD1-N 3.31Å
346	K	92.2	Very high	93.1	Very high	142 Å²	142	37.2 Å²	37.2	62%	0.617	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-14.7	-174.5	-63.6	174.5	-179.6	169.2	0	113.6	N343 K348	N343-K346 HydrophobicContact CB-CB 4.23Å; N343-K346 VanDerWaalsContact OD1-CB 3.28Å; N343-K346 WeakPolarHBondContact OD1-CB 3.47Å; N343-K346 WeakPolarHBondContact OD1-CG 3.35Å; N343-K346 PolarHBondContact OD1-N 3.1Å; K346-K348 HydrophobicContact CB-CB 4.46Å; K346-K348 HydrophobicContact CB-CG 4.31Å; K346-K348 PolarHBondContact O-N 3.36Å
347	S	89.9	Confident	93.2	Very high	23 Å²	23	37 Å²	37	16%	0.161	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	60.2	-167.8	-62.8	0	0	0	0	110.8	S268 I270 K325 N343	S268-S347 WeakPolarHBondContact CB-OG 3.2Å; S268-S347 PolarHBondContact OG-OG 3.46Å; S268-S347 VanDerWaalsContact OG-OG 3.14Å; I270-S347 WeakPolarHBondContact CD1-OG 3.17Å; K325-S347 PolarHBondContact NZ-OG 2.87Å; K325-S347 VanDerWaalsContact NZ-OG 3.09Å; N343-S347 WeakPolarHBondContact O-CA 3.2Å; N343-S347 PolarHBondContact O-N 2.79Å
348	K	92.5	Very high	93.1	Very high	142 Å²	142	37.1 Å²	37.1	62%	0.617	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	142	176.6	-71.3	-169.2	178.4	-172.9	0	110.9	N343 K346	N343-K348 WeakPolarHBondContact CB-O 3.36Å; N343-K348 PolarHBondContact N-O 2.64Å; K346-K348 HydrophobicContact CB-CB 4.46Å; K346-K348 HydrophobicContact CB-CG 4.31Å; K346-K348 PolarHBondContact O-N 3.36Å
349	W	93.1	Very high	93	Very high	33 Å²	33	37.1 Å²	37.1	13%	0.125	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	145.5	170.8	-62.9	123.3	0	0	0	112.2	L293 V326 M329 R330 C331 C338 P339 V342 Y351	L293-W349 HydrophobicContact CD1-CH2 3.76Å; L293-W349 HydrophobicContact CD1-CZ3 4.01Å; V326-W349 HydrophobicContact CG1-CH2 3.97Å; V326-W349 HydrophobicContact CG1-CZ2 3.97Å; V326-W349 HydrophobicContact CG2-CH2 4.31Å; M329-W349 HydrophobicContact CB-CZ2 4.39Å; M329-W349 HydrophobicContact CE-CH2 4.24Å; M329-W349 HydrophobicContact CE-CZ2 3.93Å; R330-W349 PolarHBondContact O-NE1 3.09Å; C331-W349 WeakPolarHBondContact SG-CZ2 3.21Å; C338-W349 HydrophobicContact CB-CH2 3.77Å; C338-W349 HydrophobicContact CB-CZ2 4.04Å; C338-W349 HydrophobicContact CB-CZ3 4.12Å; P339-W349 HydrophobicContact CB-CE3 4.14Å; P339-W349 HydrophobicContact CG-CB 4.04Å; P339-W349 HydrophobicContact CG-CD2 4.34Å; P339-W349 HydrophobicContact CG-CE3 4.26Å; P339-W349 HydrophobicContact CG-CG 4.26Å; V342-W349 HydrophobicContact CB-CE3 4.06Å; V342-W349 HydrophobicContact CB-CZ3 3.83Å; V342-W349 HydrophobicContact CG2-CE3 4.33Å; V342-W349 HydrophobicContact CG2-CZ3 4.25Å; W349-Y351 HydrophobicContact CB-CD2 3.99Å; W349-Y351 HydrophobicContact CB-CE2 3.63Å; W349-Y351 HydrophobicContact CG-CE2 4.17Å
350	N	87.7	Confident	92.8	Very high	25 Å²	25	39 Å²	39	13%	0.134	21%	0.207	C	C	.	.			trans	-108.5	81	171.7	-177.1	6.5	0	0	0	111.8	F290 F341 A352 T353 S354	F290-N350 HydrophobicContact CD1-CB 4.04Å; F290-N350 HydrophobicContact CE1-CB 3.54Å; F290-N350 HydrophobicContact CZ-CB 4.01Å; F290-N350 WeakPolarHBondContact CZ-ND2 3.5Å; F341-N350 PolarHBondContact O-N 2.82Å; N350-A352 PolarHBondContact O-N 3.29Å; N350-A352 PolarHBondContact OD1-N 3.29Å; N350-T353 PolarHBondContact ND2-OG1 3.32Å; N350-T353 PolarHBondContact OD1-N 2.99Å; N350-S354 WeakPolarHBondContact O-CB 3.32Å; N350-S354 PolarHBondContact O-N 2.73Å; N350-S354 PolarHBondContact O-OG 3.28Å
351	Y	86.1	Confident	92.7	Very high	61 Å²	61	43.8 Å²	43.8	24%	0.239	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.9	176.5	-70.7	-79.6	0	0	0	114.2	K333 Y334 P339 W349	K333-Y351 HydrophobicContact CB-CD1 4.35Å; K333-Y351 HydrophobicContact CB-CE1 3.58Å; K333-Y351 HydrophobicContact CD-CD1 3.48Å; K333-Y351 VanDerWaalsContact CD-CD1 3.48Å; K333-Y351 HydrophobicContact CD-CE1 3.63Å; K333-Y351 HydrophobicContact CD-CG 4.09Å; K333-Y351 HydrophobicContact CG-CE1 4.18Å; Y334-Y351 HydrophobicContact CD2-CE1 4.42Å; P339-Y351 HydrophobicContact CG-CD1 3.49Å; P339-Y351 VanDerWaalsContact CG-CD1 3.49Å; P339-Y351 HydrophobicContact CG-CD2 4.38Å; P339-Y351 HydrophobicContact CG-CE1 3.26Å; P339-Y351 HydrophobicContact CG-CE2 4.18Å; P339-Y351 HydrophobicContact CG-CG 4.07Å; W349-Y351 HydrophobicContact CB-CD2 3.99Å; W349-Y351 HydrophobicContact CB-CE2 3.63Å; W349-Y351 HydrophobicContact CG-CE2 4.17Å
352	A	86.3	Confident	92.6	Very high	79 Å²	79	41.7 Å²	41.7	65%	0.653	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-24.8	-173.1	0	0	0	0	0	113.2	N350	N350-A352 PolarHBondContact O-N 3.29Å; N350-A352 PolarHBondContact OD1-N 3.29Å
353	T	87.4	Confident	92.1	Very high	85 Å²	85	42.4 Å²	42.4	52%	0.521	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	5	-178	71	0	0	0	0	113.4	N350	N350-T353 PolarHBondContact ND2-OG1 3.32Å; N350-T353 PolarHBondContact OD1-N 2.99Å
354	S	94	Very high	91.8	Very high	5 Å²	5	43.3 Å²	43.3	4%	0.035	22%	0.224	C	C	.	.			trans	-99.7	136.8	180	-71.4	0	0	0	0	112.2	F341 N350	F341-S354 VanDerWaalsContact CB-OG 3.28Å; F341-S354 WeakPolarHBondContact CB-OG 3.42Å; F341-S354 WeakPolarHBondContact CD2-OG 3.39Å; F341-S354 PolarHBondContact N-OG 3.35Å; N350-S354 WeakPolarHBondContact O-CB 3.32Å; N350-S354 PolarHBondContact O-N 2.73Å; N350-S354 PolarHBondContact O-OG 3.28Å
355	T	96.5	Very high	91.8	Very high	27 Å²	27	43.7 Å²	43.7	17%	0.166	23%	0.226	C	C	.	.			trans	-80.4	149.6	163.8	-63.1	0	0	0	0	110.1	M340 T357 E412 I413	M340-T355 HydrophobicContact CE-CG2 4.18Å; M340-T355 WeakPolarHBondContact CG-O 3.49Å; M340-T355 PolarHBondContact N-O 2.91Å; M340-T355 VanDerWaalsContact N-O 3.17Å; T355-T357 HydrophobicContact CG2-CG2 4.44Å; T355-E412 HydrophobicContact CG2-CB 3.74Å; T355-E412 HydrophobicContact CG2-CG 4.4Å; T355-I413 CarbonylContact C-O 3.55Å; T355-I413 WeakPolarHBondContact CA-O 3.29Å; T355-I413 VanDerWaalsContact CG2-O 3.3Å; T355-I413 WeakPolarHBondContact CG2-O 3.47Å
356	I	97.4	Very high	92	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-95.9	114.6	164.4	-50.6	-64.5	0	0	0	107	Y334 L337 P339 L398 E412 I413	Y334-I356 HydrophobicContact CD2-CD1 3.63Å; Y334-I356 HydrophobicContact CD2-CG1 3.45Å; Y334-I356 VanDerWaalsContact CD2-CG1 3.45Å; Y334-I356 HydrophobicContact CE2-CD1 3.96Å; Y334-I356 HydrophobicContact CE2-CG1 3.56Å; Y334-I356 HydrophobicContact CG-CG1 4.18Å; L337-I356 HydrophobicContact CB-CG2 3.5Å; L337-I356 VanDerWaalsContact CB-CG2 3.5Å; L337-I356 HydrophobicContact CD1-CG2 3.91Å; L337-I356 HydrophobicContact CG-CG2 4.27Å; P339-I356 HydrophobicContact CB-CD1 4.43Å; P339-I356 HydrophobicContact CG-CD1 4.06Å; I356-L398 HydrophobicContact CG2-CD1 4.4Å; I356-L398 HydrophobicContact CG2-CD2 4.23Å; I356-E412 CarbonylContact O-C 3.51Å; I356-E412 WeakPolarHBondContact O-CA 3.48Å; I356-I413 HydrophobicContact CB-CB 4.1Å; I356-I413 HydrophobicContact CB-CD1 4.5Å; I356-I413 HydrophobicContact CG1-CB 4.34Å; I356-I413 PolarHBondContact N-O 3.2Å; I356-I413 PolarHBondContact O-N 3.16Å
357	T	96.7	Very high	92.1	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	18%	0.184	C	C	.	.			trans	-145.2	159.4	-174.8	-177.8	0	0	0	0	110.7	M340 T355 G359 S362 E412	M340-T357 HydrophobicContact CE-CG2 3.56Å; T355-T357 HydrophobicContact CG2-CG2 4.44Å; T357-G359 PolarHBondContact OG1-N 3.11Å; T357-S362 WeakPolarHBondContact O-CB 3.28Å; T357-E412 WeakPolarHBondContact CB-OE1 3.44Å; T357-E412 VanDerWaalsContact OG1-CG 3.32Å; T357-E412 WeakPolarHBondContact OG1-CG 3.37Å; T357-E412 PolarHBondContact OG1-OE1 2.84Å
358	L	95.6	Very high	92.4	Very high	2 Å²	2	34 Å²	34	1%	0.01	18%	0.179	C	C	.	.	S	Bend	trans	-101.9	-0.3	164.6	-53.8	-172.2	0	0	0	112.1	D363 Y366 M394 L398 A410 A427 F429 I430	L358-D363 WeakPolarHBondContact O-CA 3.32Å; L358-D363 WeakPolarHBondContact O-CB 3.27Å; L358-Y366 HydrophobicContact CD2-CD2 3.6Å; L358-Y366 HydrophobicContact CD2-CE2 3.47Å; L358-Y366 VanDerWaalsContact CD2-CE2 3.47Å; L358-M394 HydrophobicContact CD1-CE 4.38Å; L358-M394 HydrophobicContact CD1-CG 4.12Å; L358-M394 HydrophobicContact CD1-SD 4.13Å; L358-M394 HydrophobicContact CD2-CE 3.71Å; L358-M394 HydrophobicContact CD2-CG 4.18Å; L358-M394 HydrophobicContact CD2-SD 4.4Å; L358-L398 HydrophobicContact CD1-CD1 4.45Å; L358-L398 HydrophobicContact CD2-CD1 3.87Å; L358-L398 HydrophobicContact CG-CD1 3.83Å; L358-A410 HydrophobicContact CD1-CB 3.89Å; L358-A427 HydrophobicContact CB-CB 4.07Å; L358-F429 HydrophobicContact CB-CE1 4.36Å; L358-F429 WeakPolarHBondContact O-CE1 3.21Å; L358-I430 HydrophobicContact CD1-CB 4.26Å; L358-I430 HydrophobicContact CD1-CG1 4.08Å; L358-I430 HydrophobicContact CD1-CG2 4.31Å
359	G	94.4	Very high	92.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-87.3	-152.7	176	0	0	0	0	0	112.4	T357 R361 S362 D363	T357-G359 PolarHBondContact OG1-N 3.11Å; G359-R361 PolarHBondContact O-N 3.08Å; G359-S362 PolarHBondContact O-N 2.84Å; G359-S362 VanDerWaalsContact O-N 3.15Å; G359-D363 PolarHBondContact O-N 2.95Å
360	A	92.3	Very high	92.7	Very high	41 Å²	41	25.9 Å²	25.9	34%	0.339	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	141.5	-173	0	0	0	0	0	112.7	S362 D424 L426	A360-S362 PolarHBondContact O-N 3.34Å; A360-D424 PolarHBondContact N-OD2 3.33Å; A360-L426 HydrophobicContact CB-CD1 3.89Å
361	R	93.1	Very high	93.1	Very high	121 Å²	121	26.6 Å²	26.6	46%	0.457	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	-9.6	-178.9	-51.7	176	173.8	-80	-3.4	115.7	S292 L293 A294 M340 G359	S292-R361 PolarHBondContact OG-NH1 2.66Å; L293-R361 PolarHBondContact N-O 2.96Å; A294-R361 WeakPolarHBondContact CB-O 3.3Å; A294-R361 PolarHBondContact N-O 2.85Å; M340-R361 HydrophobicContact CB-CB 4.39Å; G359-R361 PolarHBondContact O-N 3.08Å
362	S	93.3	Very high	93.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-28.3	-178.3	-51.7	0	0	0	0	114.5	M340 T357 G359 A360 T364 Y365	M340-S362 WeakPolarHBondContact CA-OG 3.47Å; M340-S362 WeakPolarHBondContact CB-OG 3.25Å; T357-S362 WeakPolarHBondContact O-CB 3.28Å; G359-S362 PolarHBondContact O-N 2.84Å; G359-S362 VanDerWaalsContact O-N 3.15Å; A360-S362 PolarHBondContact O-N 3.34Å; S362-T364 PolarHBondContact O-N 3.06Å; S362-Y365 WeakPolarHBondContact O-CB 3.21Å; S362-Y365 PolarHBondContact O-N 2.91Å
363	D	84.2	Confident	93.7	Very high	15 Å²	15	20.3 Å²	20.3	8%	0.08	11%	0.106	C	C	.	.	H	α-helix	trans	-24.1	-79.4	179.1	44.2	32.2	0	0	0	115.7	A294 L358 G359 Y365 Y366 F429	A294-D363 WeakPolarHBondContact CB-OD1 3.42Å; L358-D363 WeakPolarHBondContact O-CA 3.32Å; L358-D363 WeakPolarHBondContact O-CB 3.27Å; G359-D363 PolarHBondContact O-N 2.95Å; D363-Y365 PolarHBondContact O-N 2.94Å; D363-Y365 VanDerWaalsContact O-N 3.14Å; D363-Y366 PolarHBondContact O-N 3.24Å; D363-F429 HydrophobicContact CB-CD1 4.17Å; D363-F429 HydrophobicContact CB-CE1 3.96Å; D363-F429 WeakPolarHBondContact O-CE1 3.33Å; D363-F429 WeakPolarHBondContact O-CZ 3.25Å
364	T	88.6	Confident	93.5	Very high	28 Å²	28	17.9 Å²	17.9	17%	0.172	9%	0.09	C	C	.	.	H	α-helix	trans	-75.4	-6.7	-164.7	49.5	0	0	0	0	113.6	T298 S362 E367 Y368	T298-T364 WeakPolarHBondContact CB-OG1 3.43Å; T298-T364 HydrophobicContact CG2-CG2 4.19Å; T298-T364 WeakPolarHBondContact CG2-OG1 3.34Å; T298-T364 WeakPolarHBondContact OG1-CB 3.38Å; T298-T364 PolarHBondContact OG1-OG1 2.9Å; S362-T364 PolarHBondContact O-N 3.06Å; T364-E367 WeakPolarHBondContact O-CB 3.33Å; T364-E367 PolarHBondContact O-N 2.84Å; T364-Y368 WeakPolarHBondContact O-CB 3.45Å; T364-Y368 WeakPolarHBondContact O-CD2 3.5Å; T364-Y368 PolarHBondContact O-N 3.41Å
365	Y	95.1	Very high	93.2	Very high	10 Å²	10	20.9 Å²	20.9	4%	0.039	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-49.8	172.8	164.9	-116.3	0	0	0	111.3	L293 T297 T298 V326 C338 S362 D363 E367 Y368 L369	L293-Y365 HydrophobicContact CD1-CD1 4.31Å; L293-Y365 HydrophobicContact CD1-CD2 4.26Å; L293-Y365 HydrophobicContact CD1-CG 4.06Å; L293-Y365 HydrophobicContact CD2-CD1 3.65Å; L293-Y365 HydrophobicContact CD2-CE1 4.36Å; L293-Y365 HydrophobicContact CD2-CG 3.92Å; L293-Y365 HydrophobicContact CG-CD1 4.15Å; L293-Y365 HydrophobicContact CG-CG 3.91Å; T297-Y365 HydrophobicContact CG2-CD2 3.71Å; T297-Y365 HydrophobicContact CG2-CE2 4.06Å; T297-Y365 WeakPolarHBondContact OG1-CB 3.39Å; T297-Y365 VanDerWaalsContact OG1-CD2 3.25Å; T297-Y365 WeakPolarHBondContact OG1-CD2 3.47Å; T298-Y365 PolarHBondContact OG1-N 3.47Å; V326-Y365 HydrophobicContact CG1-CE2 3.78Å; V326-Y365 WeakPolarHBondContact CG1-OH 3.38Å; C338-Y365 HydrophobicContact CB-CE1 4.4Å; C338-Y365 VanDerWaalsContact SG-CE1 3.51Å; S362-Y365 WeakPolarHBondContact O-CB 3.21Å; S362-Y365 PolarHBondContact O-N 2.91Å; D363-Y365 PolarHBondContact O-N 2.94Å; D363-Y365 VanDerWaalsContact O-N 3.14Å; Y365-E367 VanDerWaalsContact C-N 3.32Å; Y365-E367 PolarHBondContact O-N 2.95Å; Y365-Y368 PolarHBondContact O-N 3.22Å; Y365-L369 HydrophobicContact CD2-CG 4.46Å; Y365-L369 HydrophobicContact CE1-CD1 3.92Å; Y365-L369 HydrophobicContact CE1-CG 4.47Å; Y365-L369 HydrophobicContact CE2-CD1 4.25Å; Y365-L369 HydrophobicContact CE2-CD2 3.86Å; Y365-L369 HydrophobicContact CE2-CG 3.96Å; Y365-L369 PolarHBondContact O-N 3.07Å
366	Y	94.8	Very high	92.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.1	-37.9	-176.3	-58	-70.9	0	0	0	110.9	L337 C338 L358 D363 Y368 L369 F387 S390 M394	L337-Y366 WeakPolarHBondContact CA-OH 3.19Å; L337-Y366 HydrophobicContact CD2-CE1 3.96Å; C338-Y366 PolarHBondContact N-OH 3.09Å; L358-Y366 HydrophobicContact CD2-CD2 3.6Å; L358-Y366 HydrophobicContact CD2-CE2 3.47Å; L358-Y366 VanDerWaalsContact CD2-CE2 3.47Å; D363-Y366 PolarHBondContact O-N 3.24Å; Y366-Y368 VanDerWaalsContact C-N 3.35Å; Y366-L369 HydrophobicContact CD1-CD1 4.41Å; Y366-L369 WeakPolarHBondContact O-CB 3.41Å; Y366-L369 PolarHBondContact O-N 3.34Å; Y366-F387 WeakPolarHBondContact O-CD2 3.21Å; Y366-F387 WeakPolarHBondContact O-CE2 3.41Å; Y366-S390 VanDerWaalsContact CD1-CB 3.42Å; Y366-M394 HydrophobicContact CD1-CE 3.79Å; Y366-M394 HydrophobicContact CD2-CE 3.88Å; Y366-M394 HydrophobicContact CE1-CE 4.38Å; Y366-M394 HydrophobicContact CE2-CE 4.46Å; Y366-M394 HydrophobicContact CG-CE 3.49Å; Y366-M394 VanDerWaalsContact CG-CE 3.49Å
367	E	94.9	Very high	90.8	Very high	16 Å²	16	21.5 Å²	21.5	8%	0.075	11%	0.112	C	C	.	.	H	α-helix	trans	-58.2	-46.1	170.7	-165.6	-165.2	130	0	0	111.8	T364 Y365 L369 L370 K371 F429	T364-E367 WeakPolarHBondContact O-CB 3.33Å; T364-E367 PolarHBondContact O-N 2.84Å; Y365-E367 VanDerWaalsContact C-N 3.32Å; Y365-E367 PolarHBondContact O-N 2.95Å; E367-L369 VanDerWaalsContact C-N 3.31Å; E367-L369 PolarHBondContact O-N 2.85Å; E367-L370 WeakPolarHBondContact O-CB 3.19Å; E367-L370 PolarHBondContact O-N 2.88Å; E367-L370 VanDerWaalsContact O-N 3.11Å; E367-K371 HydrophobicContact CG-CD 3.97Å; E367-K371 HydrophobicContact CG-CG 4.32Å; E367-K371 PolarHBondContact O-N 2.87Å; E367-K371 VanDerWaalsContact OE1-CD 3.29Å; E367-K371 WeakPolarHBondContact OE1-CD 3.46Å; E367-K371 WeakPolarHBondContact OE1-CE 3.23Å; E367-K371 IonicContact OE1-NZ 3.73Å; E367-K371 PolarHBondContact OE1-NZ 2.9Å; E367-F429 HydrophobicContact CB-CD2 3.87Å; E367-F429 HydrophobicContact CB-CE2 3.67Å; E367-F429 HydrophobicContact CG-CD2 4.11Å; E367-F429 HydrophobicContact CG-CE2 4.36Å
368	Y	97.2	Very high	89.8	Confident	17 Å²	17	25.1 Å²	25.1	7%	0.067	13%	0.128	C	C	.	.	H	α-helix	trans	-72.1	-21	-178.7	-88.4	-134.8	0	0	0	113.1	T298 Q300 L301 E302 T364 Y365 Y366 L370 Q372	T298-Y368 VanDerWaalsContact C-CE1 3.44Å; T298-Y368 VanDerWaalsContact CA-CD1 3.48Å; T298-Y368 HydrophobicContact CG2-CD1 3.95Å; T298-Y368 HydrophobicContact CG2-CD2 3.74Å; T298-Y368 HydrophobicContact CG2-CE1 3.59Å; T298-Y368 HydrophobicContact CG2-CE2 3.4Å; T298-Y368 VanDerWaalsContact CG2-CE2 3.4Å; T298-Y368 HydrophobicContact CG2-CG 4Å; Q300-Y368 HydrophobicContact CB-CD1 4.16Å; Q300-Y368 HydrophobicContact CG-CD1 4.38Å; L301-Y368 HydrophobicContact CB-CE1 4.32Å; L301-Y368 HydrophobicContact CD1-CD1 4.46Å; L301-Y368 HydrophobicContact CD1-CD2 4.46Å; L301-Y368 HydrophobicContact CD1-CE1 4.02Å; L301-Y368 HydrophobicContact CD1-CE2 3.99Å; L301-Y368 HydrophobicContact CG-CD1 4.06Å; L301-Y368 HydrophobicContact CG-CE1 3.75Å; E302-Y368 PolarHBondContact OE1-OH 3.27Å; T364-Y368 WeakPolarHBondContact O-CB 3.45Å; T364-Y368 WeakPolarHBondContact O-CD2 3.5Å; T364-Y368 PolarHBondContact O-N 3.41Å; Y365-Y368 PolarHBondContact O-N 3.22Å; Y366-Y368 VanDerWaalsContact C-N 3.35Å; Y368-L370 VanDerWaalsContact C-N 3.33Å; Y368-Q372 WeakPolarHBondContact O-CB 3.46Å; Y368-Q372 WeakPolarHBondContact O-CG 3.2Å; Y368-Q372 PolarHBondContact O-N 3.16Å; Y368-Q372 PolarHBondContact O-NE2 3.23Å; Y368-Q372 VanDerWaalsContact O-NE2 3.12Å
369	L	96.6	Very high	88.6	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-47.8	166.6	-68.9	172.9	0	0	0	110.4	Y365 Y366 E367 W373 L383 D386 F387	Y365-L369 HydrophobicContact CD2-CG 4.46Å; Y365-L369 HydrophobicContact CE1-CD1 3.92Å; Y365-L369 HydrophobicContact CE1-CG 4.47Å; Y365-L369 HydrophobicContact CE2-CD1 4.25Å; Y365-L369 HydrophobicContact CE2-CD2 3.86Å; Y365-L369 HydrophobicContact CE2-CG 3.96Å; Y365-L369 PolarHBondContact O-N 3.07Å; Y366-L369 HydrophobicContact CD1-CD1 4.41Å; Y366-L369 WeakPolarHBondContact O-CB 3.41Å; Y366-L369 PolarHBondContact O-N 3.34Å; E367-L369 VanDerWaalsContact C-N 3.31Å; E367-L369 PolarHBondContact O-N 2.85Å; L369-W373 WeakPolarHBondContact O-CB 3.28Å; L369-W373 PolarHBondContact O-N 2.96Å; L369-L383 HydrophobicContact CD2-CD2 3.98Å; L369-D386 HydrophobicContact CD1-CB 4.07Å; L369-D386 HydrophobicContact CD2-CB 4.09Å; L369-F387 HydrophobicContact CB-CB 3.9Å; L369-F387 HydrophobicContact CB-CD2 4.28Å; L369-F387 HydrophobicContact CD1-CB 4.44Å
370	L	95.1	Very high	87.9	Confident	1 Å²	1	33 Å²	33	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-67.7	-53.4	177	178.6	68	0	0	0	111.2	E367 Y368 Q372 W373 L374 F387 A433 L436 A437 F442	E367-L370 WeakPolarHBondContact O-CB 3.19Å; E367-L370 PolarHBondContact O-N 2.88Å; E367-L370 VanDerWaalsContact O-N 3.11Å; Y368-L370 VanDerWaalsContact C-N 3.33Å; L370-Q372 VanDerWaalsContact C-N 3.34Å; L370-Q372 PolarHBondContact O-N 3.33Å; L370-W373 HydrophobicContact CD1-CE3 3.89Å; L370-W373 HydrophobicContact CD1-CZ3 4.17Å; L370-W373 WeakPolarHBondContact O-CB 3.34Å; L370-W373 PolarHBondContact O-N 3.23Å; L370-W373 VanDerWaalsContact O-N 3.08Å; L370-L374 HydrophobicContact CD1-CD1 4.42Å; L370-L374 HydrophobicContact CD1-CG 4.49Å; L370-L374 HydrophobicContact CG-CD1 4.15Å; L370-L374 WeakPolarHBondContact O-CG 3.32Å; L370-L374 PolarHBondContact O-N 3.03Å; L370-F387 HydrophobicContact CB-CD1 4.45Å; L370-F387 HydrophobicContact CB-CD2 3.95Å; L370-F387 HydrophobicContact CB-CE1 4.46Å; L370-F387 HydrophobicContact CB-CE2 3.94Å; L370-F387 HydrophobicContact CB-CG 4.19Å; L370-F387 HydrophobicContact CB-CZ 4.2Å; L370-F387 HydrophobicContact CD1-CD1 4.38Å; L370-F387 HydrophobicContact CD1-CE1 4.3Å; L370-F387 HydrophobicContact CD2-CE1 4.44Å; L370-F387 HydrophobicContact CD2-CZ 4.11Å; L370-A433 VanDerWaalsContact CD2-O 3.3Å; L370-A433 WeakPolarHBondContact CD2-O 3.12Å; L370-L436 HydrophobicContact CD2-CB 4.12Å; L370-L436 HydrophobicContact CD2-CD2 4.08Å; L370-L436 HydrophobicContact CD2-CG 4.02Å; L370-A437 HydrophobicContact CD1-CB 4.15Å; L370-A437 HydrophobicContact CD2-CB 3.91Å; L370-F442 HydrophobicContact CD1-CE2 4.02Å
371	K	95.1	Very high	87.2	Confident	40 Å²	40	35.1 Å²	35.1	17%	0.174	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-36.7	-175.6	-69.6	-172.7	175.5	176.6	0	112.3	L301 E367 L374 Q375 L436 E500	L301-K371 HydrophobicContact CD1-CB 3.87Å; L301-K371 HydrophobicContact CD1-CD 4.11Å; L301-K371 HydrophobicContact CD2-CB 4.08Å; E367-K371 HydrophobicContact CG-CD 3.97Å; E367-K371 HydrophobicContact CG-CG 4.32Å; E367-K371 PolarHBondContact O-N 2.87Å; E367-K371 VanDerWaalsContact OE1-CD 3.29Å; E367-K371 WeakPolarHBondContact OE1-CD 3.46Å; E367-K371 WeakPolarHBondContact OE1-CE 3.23Å; E367-K371 IonicContact OE1-NZ 3.73Å; E367-K371 PolarHBondContact OE1-NZ 2.9Å; K371-L374 PolarHBondContact O-N 3Å; K371-Q375 WeakPolarHBondContact O-CB 3.37Å; K371-Q375 PolarHBondContact O-N 3.37Å; K371-L436 HydrophobicContact CG-CD2 4.49Å; K371-E500 IonicContact NZ-OE1 3.22Å
372	Q	94.3	Very high	87	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.009	16%	0.16	C	C	.	.	H	α-helix	trans	-67.1	-39.9	172.6	-70.8	-179.3	82.6	0	0	112.3	Q300 L301 R304 Y368 L370 L374 Q375 T376 L383	Q300-Q372 HydrophobicContact CB-CG 3.64Å; Q300-Q372 VanDerWaalsContact CB-OE1 3.3Å; Q300-Q372 HydrophobicContact CG-CG 4.32Å; L301-Q372 HydrophobicContact CD2-CG 4.08Å; R304-Q372 VanDerWaalsContact NH2-OE1 3.11Å; Y368-Q372 WeakPolarHBondContact O-CB 3.46Å; Y368-Q372 WeakPolarHBondContact O-CG 3.2Å; Y368-Q372 PolarHBondContact O-N 3.16Å; Y368-Q372 PolarHBondContact O-NE2 3.23Å; Y368-Q372 VanDerWaalsContact O-NE2 3.12Å; L370-Q372 VanDerWaalsContact C-N 3.34Å; L370-Q372 PolarHBondContact O-N 3.33Å; Q372-L374 VanDerWaalsContact C-N 3.27Å; Q372-L374 PolarHBondContact O-N 2.91Å; Q372-Q375 PolarHBondContact O-N 2.99Å; Q372-T376 WeakPolarHBondContact O-CB 3.32Å; Q372-T376 VanDerWaalsContact O-CG2 3.26Å; Q372-T376 WeakPolarHBondContact O-CG2 3.42Å; Q372-T376 PolarHBondContact O-N 3.27Å; Q372-T376 PolarHBondContact O-OG1 3.43Å; Q372-L383 HydrophobicContact CB-CD1 3.67Å; Q372-L383 HydrophobicContact CB-CD2 4.35Å
373	W	90.8	Very high	86.9	Confident	6 Å²	6	31.8 Å²	31.8	2%	0.023	16%	0.16	C	C	.	.	H	α-helix	trans	-57.7	-45.6	174.2	174.1	65.8	0	0	0	109.9	L369 L370 T376 K378 L383 R384 H440 F442	L369-W373 WeakPolarHBondContact O-CB 3.28Å; L369-W373 PolarHBondContact O-N 2.96Å; L370-W373 HydrophobicContact CD1-CE3 3.89Å; L370-W373 HydrophobicContact CD1-CZ3 4.17Å; L370-W373 WeakPolarHBondContact O-CB 3.34Å; L370-W373 PolarHBondContact O-N 3.23Å; L370-W373 VanDerWaalsContact O-N 3.08Å; W373-T376 PolarHBondContact O-OG1 3.47Å; W373-K378 HydrophobicContact CD2-CB 4.25Å; W373-K378 HydrophobicContact CD2-CG 4.09Å; W373-K378 VanDerWaalsContact CE2-CB 3.48Å; W373-K378 HydrophobicContact CE3-CG 4.38Å; W373-K378 HydrophobicContact CH2-CB 4.49Å; W373-K378 HydrophobicContact CH2-CD 3.74Å; W373-K378 HydrophobicContact CH2-CG 3.94Å; W373-K378 HydrophobicContact CZ2-CB 3.62Å; W373-K378 HydrophobicContact CZ2-CD 3.63Å; W373-K378 HydrophobicContact CZ2-CG 3.55Å; W373-K378 HydrophobicContact CZ3-CD 4.4Å; W373-K378 HydrophobicContact CZ3-CG 4.33Å; W373-K378 VanDerWaalsContact NE1-CA 3.26Å; W373-K378 PolarHBondContact NE1-O 2.91Å; W373-K378 VanDerWaalsContact NE1-O 3.14Å; W373-K378 WeakPolarHBondContact O-CA 3.46Å; W373-K378 PolarHBondContact O-N 2.75Å; W373-L383 HydrophobicContact CB-CB 3.91Å; W373-L383 HydrophobicContact CB-CD1 4.48Å; W373-R384 HydrophobicContact CD2-CB 4.09Å; W373-R384 HydrophobicContact CD2-CG 4.42Å; W373-R384 HydrophobicContact CG-CB 4.06Å; W373-R384 HydrophobicContact CZ2-CG 4.22Å; W373-H440 HydrophobicContact CH2-CB 4.37Å; W373-H440 WeakPolarHBondContact CH2-O 3.03Å; W373-H440 HydrophobicContact CZ3-CB 3.9Å; W373-F442 HydrophobicContact CE3-CE2 4.39Å; W373-F442 HydrophobicContact CH2-CE2 4.29Å; W373-F442 AromaticContact CZ3-CE2 3.86Å; W373-F442 HydrophobicContact CZ3-CE2 3.86Å
374	L	84.5	Confident	87.2	Confident	35 Å²	35	35 Å²	35	18%	0.183	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-49.4	176.2	-61	174.2	0	0	0	113.1	L370 K371 Q372 T376 G377 K378 L436 H440	L370-L374 HydrophobicContact CD1-CD1 4.42Å; L370-L374 HydrophobicContact CD1-CG 4.49Å; L370-L374 HydrophobicContact CG-CD1 4.15Å; L370-L374 WeakPolarHBondContact O-CG 3.32Å; L370-L374 PolarHBondContact O-N 3.03Å; K371-L374 PolarHBondContact O-N 3Å; Q372-L374 VanDerWaalsContact C-N 3.27Å; Q372-L374 PolarHBondContact O-N 2.91Å; L374-T376 PolarHBondContact O-N 3.47Å; L374-G377 WeakPolarHBondContact O-CA 3.28Å; L374-G377 PolarHBondContact O-N 2.72Å; L374-K378 HydrophobicContact CD2-CG 4.42Å; L374-L436 HydrophobicContact CD1-CD1 4.28Å; L374-L436 HydrophobicContact CD1-CD2 3.94Å; L374-L436 HydrophobicContact CD1-CG 4.03Å; L374-H440 WeakPolarHBondContact CD1-CD2 3.26Å; L374-H440 HydrophobicContact CD2-CB 3.69Å; L374-H440 WeakPolarHBondContact CD2-CD2 3.38Å
375	Q	87.4	Confident	87	Confident	67 Å²	67	36.9 Å²	36.9	31%	0.313	19%	0.185	S	C	.	.	H	α-helix	trans	-61.1	-31.1	-178.3	-167	-167.4	38.2	0	0	112.3	L301 K371 Q372 G377	L301-Q375 HydrophobicContact CD2-CB 4Å; L301-Q375 HydrophobicContact CD2-CG 4.39Å; L301-Q375 PolarHBondContact O-NE2 2.94Å; K371-Q375 WeakPolarHBondContact O-CB 3.37Å; K371-Q375 PolarHBondContact O-N 3.37Å; Q372-Q375 PolarHBondContact O-N 2.99Å; Q375-G377 PolarHBondContact O-N 3.42Å
376	T	76.7	Confident	87	Confident	16 Å²	16	37.6 Å²	37.6	10%	0.098	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	11.6	174.7	62	0	0	0	0	113.2	Q372 W373 L374 K378 R379 I380	Q372-T376 WeakPolarHBondContact O-CB 3.32Å; Q372-T376 VanDerWaalsContact O-CG2 3.26Å; Q372-T376 WeakPolarHBondContact O-CG2 3.42Å; Q372-T376 PolarHBondContact O-N 3.27Å; Q372-T376 PolarHBondContact O-OG1 3.43Å; W373-T376 PolarHBondContact O-OG1 3.47Å; L374-T376 PolarHBondContact O-N 3.47Å; T376-K378 VanDerWaalsContact C-N 3.28Å; T376-K378 PolarHBondContact O-N 2.95Å; T376-R379 VanDerWaalsContact O-CB 3.26Å; T376-R379 WeakPolarHBondContact O-CB 3.34Å; T376-R379 WeakPolarHBondContact O-CD 3.35Å; T376-R379 WeakPolarHBondContact O-CG 3.2Å; T376-R379 PolarHBondContact O-N 2.87Å; T376-I380 HydrophobicContact CG2-CD1 3.52Å; T376-I380 HydrophobicContact CG2-CG1 4.38Å
377	G	67	Low	87	Confident	27 Å²	27	37.6 Å²	37.6	28%	0.278	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	31.1	-174	0	0	0	0	0	112.1	L374 Q375 R379 S1023	L374-G377 WeakPolarHBondContact O-CA 3.28Å; L374-G377 PolarHBondContact O-N 2.72Å; Q375-G377 PolarHBondContact O-N 3.42Å; G377-R379 PolarHBondContact O-N 3.43Å; G377-S1023 WeakPolarHBondContact O-CB 2.99Å; G377-S1023 PolarHBondContact O-OG 3.34Å
378	K	75.2	Confident	86.7	Confident	79 Å²	79	37.9 Å²	37.9	34%	0.343	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	14.9	-177.2	-50.2	177.7	-177.4	-178.1	0	114.8	W373 L374 T376	W373-K378 HydrophobicContact CD2-CB 4.25Å; W373-K378 HydrophobicContact CD2-CG 4.09Å; W373-K378 VanDerWaalsContact CE2-CB 3.48Å; W373-K378 HydrophobicContact CE3-CG 4.38Å; W373-K378 HydrophobicContact CH2-CB 4.49Å; W373-K378 HydrophobicContact CH2-CD 3.74Å; W373-K378 HydrophobicContact CH2-CG 3.94Å; W373-K378 HydrophobicContact CZ2-CB 3.62Å; W373-K378 HydrophobicContact CZ2-CD 3.63Å; W373-K378 HydrophobicContact CZ2-CG 3.55Å; W373-K378 HydrophobicContact CZ3-CD 4.4Å; W373-K378 HydrophobicContact CZ3-CG 4.33Å; W373-K378 VanDerWaalsContact NE1-CA 3.26Å; W373-K378 PolarHBondContact NE1-O 2.91Å; W373-K378 VanDerWaalsContact NE1-O 3.14Å; W373-K378 WeakPolarHBondContact O-CA 3.46Å; W373-K378 PolarHBondContact O-N 2.75Å; L374-K378 HydrophobicContact CD2-CG 4.42Å; T376-K378 VanDerWaalsContact C-N 3.28Å; T376-K378 PolarHBondContact O-N 2.95Å
379	R	69.8	Low	86.3	Confident	135 Å²	135	40.1 Å²	40.1	51%	0.509	20%	0.204	S	C	.	.			trans	-74.1	-27.1	-173.6	-70	173.4	178.7	171.6	-5.5	115.4	T376 G377 D1022 S1023	T376-R379 VanDerWaalsContact O-CB 3.26Å; T376-R379 WeakPolarHBondContact O-CB 3.34Å; T376-R379 WeakPolarHBondContact O-CD 3.35Å; T376-R379 WeakPolarHBondContact O-CG 3.2Å; T376-R379 PolarHBondContact O-N 2.87Å; G377-R379 PolarHBondContact O-N 3.43Å; R379-D1022 PolarHBondContact NH2-O 2.92Å; R379-S1023 VanDerWaalsContact CG-O 3.3Å; R379-S1023 WeakPolarHBondContact CG-O 3.47Å; R379-S1023 PolarHBondContact NE-O 3.08Å
380	I	79.8	Confident	86.3	Confident	34 Å²	34	39.9 Å²	39.9	17%	0.174	20%	0.203	C	C	.	.			trans	-99.8	94.2	-174.5	-58.6	166.3	0	0	0	109.2	F320 T376 W382 L383	F320-I380 HydrophobicContact CE1-CD1 4.45Å; F320-I380 HydrophobicContact CE2-CD1 3.88Å; F320-I380 HydrophobicContact CZ-CD1 3.61Å; F320-I380 HydrophobicContact CZ-CG2 4.18Å; T376-I380 HydrophobicContact CG2-CD1 3.52Å; T376-I380 HydrophobicContact CG2-CG1 4.38Å; I380-W382 VanDerWaalsContact C-N 3.32Å; I380-W382 HydrophobicContact CG2-CD2 3.95Å; I380-W382 VanDerWaalsContact CG2-CE2 3.46Å; I380-W382 HydrophobicContact CG2-CG 4.09Å; I380-W382 HydrophobicContact CG2-CZ2 3.96Å; I380-W382 VanDerWaalsContact CG2-NE1 3.28Å; I380-W382 PolarHBondContact O-N 3.34Å; I380-L383 HydrophobicContact CB-CD1 3.82Å; I380-L383 HydrophobicContact CB-CG 4.27Å; I380-L383 HydrophobicContact CD1-CD1 4.15Å; I380-L383 HydrophobicContact CG2-CB 4.47Å; I380-L383 HydrophobicContact CG2-CD1 3.81Å; I380-L383 HydrophobicContact CG2-CG 3.8Å; I380-L383 PolarHBondContact O-N 3.34Å
381	S	77.4	Confident	86.3	Confident	85 Å²	85	40.4 Å²	40.4	59%	0.594	21%	0.206	S	C	*	.	H	α-helix	trans	-62.2	-31.6	-170.3	58.3	0	0	0	0	114.8	L383 R384 S385	S381-L383 VanDerWaalsContact C-N 3.32Å; S381-L383 PolarHBondContact O-N 2.95Å; S381-R384 WeakPolarHBondContact O-CB 3.41Å; S381-R384 PolarHBondContact O-N 3.41Å; S381-S385 PolarHBondContact O-N 2.85Å; S381-S385 PolarHBondContact O-OG 2.96Å
382	W	89.8	Confident	86.1	Confident	51 Å²	51	44.5 Å²	44.5	19%	0.193	22%	0.221	C	C	.	.	H	α-helix	trans	-71.8	-25.1	-179.5	62.7	-104.6	0	0	0	113	F320 H327 I380 S385 D386	F320-W382 HydrophobicContact CE1-CZ2 4.12Å; F320-W382 AromaticContact CE2-CH2 3.9Å; F320-W382 HydrophobicContact CE2-CH2 3.9Å; F320-W382 AromaticContact CE2-CZ2 3.74Å; F320-W382 HydrophobicContact CE2-CZ2 3.74Å; F320-W382 AromaticContact CZ-CH2 3.95Å; F320-W382 HydrophobicContact CZ-CH2 3.95Å; F320-W382 AromaticContact CZ-CZ2 3.29Å; F320-W382 HydrophobicContact CZ-CZ2 3.29Å; H327-W382 HydrophobicContact CB-CD2 4.49Å; H327-W382 HydrophobicContact CB-CE3 3.86Å; H327-W382 HydrophobicContact CB-CH2 4.27Å; H327-W382 HydrophobicContact CB-CZ3 3.76Å; H327-W382 AromaticContact CG-CD2 3.97Å; H327-W382 AromaticContact CG-CE3 3.65Å; H327-W382 AromaticContact ND1-CE3 3.61Å; I380-W382 VanDerWaalsContact C-N 3.32Å; I380-W382 HydrophobicContact CG2-CD2 3.95Å; I380-W382 VanDerWaalsContact CG2-CE2 3.46Å; I380-W382 HydrophobicContact CG2-CG 4.09Å; I380-W382 HydrophobicContact CG2-CZ2 3.96Å; I380-W382 VanDerWaalsContact CG2-NE1 3.28Å; I380-W382 PolarHBondContact O-N 3.34Å; W382-S385 PolarHBondContact O-N 2.94Å; W382-D386 WeakPolarHBondContact O-CB 3.26Å; W382-D386 PolarHBondContact O-N 3.47Å
383	L	90.4	Very high	86.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-45.9	172.5	-72.7	171.2	0	0	0	110.8	F320 L369 Q372 W373 I380 S381 S385 D386 F387	F320-L383 HydrophobicContact CE2-CD1 4.47Å; L369-L383 HydrophobicContact CD2-CD2 3.98Å; Q372-L383 HydrophobicContact CB-CD1 3.67Å; Q372-L383 HydrophobicContact CB-CD2 4.35Å; W373-L383 HydrophobicContact CB-CB 3.91Å; W373-L383 HydrophobicContact CB-CD1 4.48Å; I380-L383 HydrophobicContact CB-CD1 3.82Å; I380-L383 HydrophobicContact CB-CG 4.27Å; I380-L383 HydrophobicContact CD1-CD1 4.15Å; I380-L383 HydrophobicContact CG2-CB 4.47Å; I380-L383 HydrophobicContact CG2-CD1 3.81Å; I380-L383 HydrophobicContact CG2-CG 3.8Å; I380-L383 PolarHBondContact O-N 3.34Å; S381-L383 VanDerWaalsContact C-N 3.32Å; S381-L383 PolarHBondContact O-N 2.95Å; L383-S385 VanDerWaalsContact C-N 3.31Å; L383-S385 PolarHBondContact O-N 3.29Å; L383-D386 PolarHBondContact O-N 3.45Å; L383-F387 WeakPolarHBondContact O-CB 3.46Å; L383-F387 PolarHBondContact O-N 3.07Å
384	R	90.3	Very high	86.6	Confident	82 Å²	82	44.1 Å²	44.1	31%	0.309	22%	0.219	S	C	.	.	H	α-helix	trans	-59	-44.4	172.4	-176.2	-173.7	179.2	152.1	3.5	111.2	W373 S381 F387 A388 G441 F442	W373-R384 HydrophobicContact CD2-CB 4.09Å; W373-R384 HydrophobicContact CD2-CG 4.42Å; W373-R384 HydrophobicContact CG-CB 4.06Å; W373-R384 HydrophobicContact CZ2-CG 4.22Å; S381-R384 WeakPolarHBondContact O-CB 3.41Å; S381-R384 PolarHBondContact O-N 3.41Å; R384-F387 PolarHBondContact O-N 2.97Å; R384-A388 WeakPolarHBondContact O-CB 3.09Å; R384-A388 PolarHBondContact O-N 3.42Å; R384-G441 PolarHBondContact NH2-O 3.08Å; R384-F442 HydrophobicContact CG-CE2 4.17Å; R384-F442 HydrophobicContact CG-CZ 3.67Å
385	S	85.6	Confident	87.1	Confident	67 Å²	67	45.3 Å²	45.3	47%	0.469	23%	0.226	S	C	.	.	H	α-helix	trans	-66.2	-41.9	-177.6	-57.6	0	0	0	0	112.1	S381 W382 L383 A388 K389	S381-S385 PolarHBondContact O-N 2.85Å; S381-S385 PolarHBondContact O-OG 2.96Å; W382-S385 PolarHBondContact O-N 2.94Å; L383-S385 VanDerWaalsContact C-N 3.31Å; L383-S385 PolarHBondContact O-N 3.29Å; S385-A388 PolarHBondContact O-N 2.9Å; S385-K389 VanDerWaalsContact O-CB 3.26Å; S385-K389 WeakPolarHBondContact O-CB 3.48Å; S385-K389 PolarHBondContact O-N 3.4Å
386	D	93.4	Very high	87.6	Confident	26 Å²	26	49.3 Å²	49.3	14%	0.139	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-40.3	177	-77.8	-7.5	0	0	0	111.2	H327 L369 W382 L383 K389 S390	H327-D386 IonicContact CE1-OD1 3.78Å; H327-D386 IonicContact CE1-OD2 2.81Å; H327-D386 IonicContact CG-OD2 3.92Å; H327-D386 IonicContact ND1-OD1 2.9Å; H327-D386 PolarHBondContact ND1-OD1 3.05Å; H327-D386 IonicContact ND1-OD2 3.75Å; H327-D386 PolarHBondContact ND1-OD2 3.2Å; L369-D386 HydrophobicContact CD1-CB 4.07Å; L369-D386 HydrophobicContact CD2-CB 4.09Å; W382-D386 WeakPolarHBondContact O-CB 3.26Å; W382-D386 PolarHBondContact O-N 3.47Å; L383-D386 PolarHBondContact O-N 3.45Å; D386-K389 WeakPolarHBondContact O-CB 3.47Å; D386-K389 PolarHBondContact O-N 3.24Å; D386-S390 PolarHBondContact O-N 3.23Å; D386-S390 PolarHBondContact O-OG 2.93Å
387	F	94.8	Very high	88.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-47.7	172.5	-177.2	-101.2	0	0	0	111.8	Y366 L369 L370 L383 R384 K389 S390 V391 F434 A437 F442	Y366-F387 WeakPolarHBondContact O-CD2 3.21Å; Y366-F387 WeakPolarHBondContact O-CE2 3.41Å; L369-F387 HydrophobicContact CB-CB 3.9Å; L369-F387 HydrophobicContact CB-CD2 4.28Å; L369-F387 HydrophobicContact CD1-CB 4.44Å; L370-F387 HydrophobicContact CB-CD1 4.45Å; L370-F387 HydrophobicContact CB-CD2 3.95Å; L370-F387 HydrophobicContact CB-CE1 4.46Å; L370-F387 HydrophobicContact CB-CE2 3.94Å; L370-F387 HydrophobicContact CB-CG 4.19Å; L370-F387 HydrophobicContact CB-CZ 4.2Å; L370-F387 HydrophobicContact CD1-CD1 4.38Å; L370-F387 HydrophobicContact CD1-CE1 4.3Å; L370-F387 HydrophobicContact CD2-CE1 4.44Å; L370-F387 HydrophobicContact CD2-CZ 4.11Å; L383-F387 WeakPolarHBondContact O-CB 3.46Å; L383-F387 PolarHBondContact O-N 3.07Å; R384-F387 PolarHBondContact O-N 2.97Å; F387-K389 PolarHBondContact O-N 2.75Å; F387-S390 WeakPolarHBondContact CA-OG 3.5Å; F387-S390 PolarHBondContact O-N 3.28Å; F387-S390 VanDerWaalsContact O-N 3.16Å; F387-S390 PolarHBondContact O-OG 2.97Å; F387-V391 HydrophobicContact CD1-CG2 4.05Å; F387-V391 HydrophobicContact CE1-CG2 3.7Å; F387-V391 HydrophobicContact CE2-CG2 4.42Å; F387-V391 HydrophobicContact CZ-CG2 3.92Å; F387-V391 VanDerWaalsContact O-CG2 3.29Å; F387-V391 WeakPolarHBondContact O-CG2 3.48Å; F387-V391 PolarHBondContact O-N 3.19Å; F387-F434 HydrophobicContact CZ-CD1 4.47Å; F387-A437 HydrophobicContact CE1-CB 3.6Å; F387-A437 HydrophobicContact CZ-CB 4.06Å; F387-F442 HydrophobicContact CD1-CD1 4.33Å; F387-F442 AromaticContact CD1-CE1 3.56Å; F387-F442 HydrophobicContact CD1-CE1 3.56Å; F387-F442 HydrophobicContact CD1-CE2 4.22Å; F387-F442 AromaticContact CD1-CZ 3.49Å; F387-F442 HydrophobicContact CD1-CZ 3.49Å; F387-F442 VanDerWaalsContact CD1-CZ 3.49Å; F387-F442 HydrophobicContact CE1-CD1 4.38Å; F387-F442 HydrophobicContact CE1-CE1 4.04Å; F387-F442 HydrophobicContact CE1-CZ 4.11Å
388	A	88.5	Confident	90.1	Very high	21 Å²	21	49.3 Å²	49.3	17%	0.174	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-38.5	176.2	0	0	0	0	0	111.7	R384 S385 R392 F442	R384-A388 WeakPolarHBondContact O-CB 3.09Å; R384-A388 PolarHBondContact O-N 3.42Å; S385-A388 PolarHBondContact O-N 2.9Å; A388-R392 WeakPolarHBondContact O-CG 3.31Å; A388-R392 PolarHBondContact O-N 2.85Å; A388-F442 HydrophobicContact CB-CE1 3.9Å
389	K	90.7	Very high	91.2	Very high	64 Å²	64	46.5 Å²	46.5	28%	0.278	22%	0.222	S	C	.	.	H	α-helix	trans	-66.6	-48.3	175.4	-169.4	179.8	175.3	177.8	0	110.8	N332 S335 S385 D386 F387 V391 R392 G393	N332-K389 PolarHBondContact OD1-NZ 2.64Å; S335-K389 CarbonylContact O-C 3.59Å; S335-K389 WeakPolarHBondContact O-CG 3.38Å; S385-K389 VanDerWaalsContact O-CB 3.26Å; S385-K389 WeakPolarHBondContact O-CB 3.48Å; S385-K389 PolarHBondContact O-N 3.4Å; D386-K389 WeakPolarHBondContact O-CB 3.47Å; D386-K389 PolarHBondContact O-N 3.24Å; F387-K389 PolarHBondContact O-N 2.75Å; K389-V391 VanDerWaalsContact C-N 3.31Å; K389-V391 PolarHBondContact O-N 3.26Å; K389-R392 WeakPolarHBondContact O-CB 3.39Å; K389-R392 PolarHBondContact O-N 3.01Å; K389-R392 VanDerWaalsContact O-N 3.13Å; K389-G393 PolarHBondContact O-N 3.22Å
390	S	95.7	Very high	92.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-39	177.8	66.3	0	0	0	0	112.2	Y366 D386 F387 R392 G393 M394	Y366-S390 VanDerWaalsContact CD1-CB 3.42Å; D386-S390 PolarHBondContact O-N 3.23Å; D386-S390 PolarHBondContact O-OG 2.93Å; F387-S390 WeakPolarHBondContact CA-OG 3.5Å; F387-S390 PolarHBondContact O-N 3.28Å; F387-S390 VanDerWaalsContact O-N 3.16Å; F387-S390 PolarHBondContact O-OG 2.97Å; S390-R392 PolarHBondContact O-N 2.71Å; S390-G393 CarbonylContact O-C 3.5Å; S390-G393 WeakPolarHBondContact O-CA 3.4Å; S390-G393 PolarHBondContact O-N 3.44Å; S390-M394 VanDerWaalsContact O-CG 3.3Å; S390-M394 WeakPolarHBondContact O-CG 3.34Å; S390-M394 PolarHBondContact O-N 3.06Å
391	V	94.6	Very high	93.4	Very high	12 Å²	12	48.9 Å²	48.9	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-55.5	-50.5	172.6	170.6	0	0	0	0	110.7	F387 K389 G393 M394 L395 F434 L446	F387-V391 HydrophobicContact CD1-CG2 4.05Å; F387-V391 HydrophobicContact CE1-CG2 3.7Å; F387-V391 HydrophobicContact CE2-CG2 4.42Å; F387-V391 HydrophobicContact CZ-CG2 3.92Å; F387-V391 VanDerWaalsContact O-CG2 3.29Å; F387-V391 WeakPolarHBondContact O-CG2 3.48Å; F387-V391 PolarHBondContact O-N 3.19Å; K389-V391 VanDerWaalsContact C-N 3.31Å; K389-V391 PolarHBondContact O-N 3.26Å; V391-G393 PolarHBondContact O-N 3.18Å; V391-M394 WeakPolarHBondContact O-CB 3.17Å; V391-M394 PolarHBondContact O-N 3.06Å; V391-M394 VanDerWaalsContact O-N 3.12Å; V391-L395 HydrophobicContact CG1-CD1 4.19Å; V391-L395 HydrophobicContact CG1-CG 4.43Å; V391-L395 WeakPolarHBondContact O-CG 3.47Å; V391-L395 PolarHBondContact O-N 2.56Å; V391-F434 HydrophobicContact CG1-CE1 4.41Å; V391-F434 HydrophobicContact CG1-CZ 4.37Å; V391-F434 HydrophobicContact CG2-CD1 4.46Å; V391-F434 HydrophobicContact CG2-CE1 3.8Å; V391-F434 HydrophobicContact CG2-CZ 4.48Å; V391-L446 HydrophobicContact CG1-CD1 3.62Å; V391-L446 HydrophobicContact CG1-CD2 4.47Å
392	R	92.4	Very high	94.4	Very high	126 Å²	126	44.8 Å²	44.8	48%	0.475	20%	0.2	S	C	.	.	H	α-helix	trans	-59.6	-36.3	175.6	-65.2	-179.4	-163.7	114.5	-2.1	112	A388 K389 S390 K396	A388-R392 WeakPolarHBondContact O-CG 3.31Å; A388-R392 PolarHBondContact O-N 2.85Å; K389-R392 WeakPolarHBondContact O-CB 3.39Å; K389-R392 PolarHBondContact O-N 3.01Å; K389-R392 VanDerWaalsContact O-N 3.13Å; S390-R392 PolarHBondContact O-N 2.71Å; R392-K396 VanDerWaalsContact O-CB 3.22Å; R392-K396 WeakPolarHBondContact O-CB 3.33Å; R392-K396 PolarHBondContact O-N 2.59Å; R392-K396 VanDerWaalsContact O-N 3.1Å
393	G	96.6	Very high	94.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-45	173.4	0	0	0	0	0	113.2	L337 K389 S390 V391 K396 H397	L337-G393 WeakPolarHBondContact CD1-O 3.4Å; K389-G393 PolarHBondContact O-N 3.22Å; S390-G393 CarbonylContact O-C 3.5Å; S390-G393 WeakPolarHBondContact O-CA 3.4Å; S390-G393 PolarHBondContact O-N 3.44Å; V391-G393 PolarHBondContact O-N 3.18Å; G393-K396 PolarHBondContact O-N 2.88Å; G393-H397 WeakPolarHBondContact O-CB 3.16Å; G393-H397 PolarHBondContact O-CD2 3.28Å; G393-H397 PolarHBondContact O-N 3.4Å
394	M	97.6	Very high	95.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-52.6	177.2	-64.9	164.7	-172	0	0	110.7	L337 L358 Y366 S390 V391 K396 H397 L398 L399 I430 F434	L337-M394 HydrophobicContact CD2-CE 4.48Å; L337-M394 HydrophobicContact CD2-CG 3.8Å; L358-M394 HydrophobicContact CD1-CE 4.38Å; L358-M394 HydrophobicContact CD1-CG 4.12Å; L358-M394 HydrophobicContact CD1-SD 4.13Å; L358-M394 HydrophobicContact CD2-CE 3.71Å; L358-M394 HydrophobicContact CD2-CG 4.18Å; L358-M394 HydrophobicContact CD2-SD 4.4Å; Y366-M394 HydrophobicContact CD1-CE 3.79Å; Y366-M394 HydrophobicContact CD2-CE 3.88Å; Y366-M394 HydrophobicContact CE1-CE 4.38Å; Y366-M394 HydrophobicContact CE2-CE 4.46Å; Y366-M394 HydrophobicContact CG-CE 3.49Å; Y366-M394 VanDerWaalsContact CG-CE 3.49Å; S390-M394 VanDerWaalsContact O-CG 3.3Å; S390-M394 WeakPolarHBondContact O-CG 3.34Å; S390-M394 PolarHBondContact O-N 3.06Å; V391-M394 WeakPolarHBondContact O-CB 3.17Å; V391-M394 PolarHBondContact O-N 3.06Å; V391-M394 VanDerWaalsContact O-N 3.12Å; M394-K396 PolarHBondContact O-N 3.33Å; M394-H397 PolarHBondContact O-N 3.34Å; M394-L398 PolarHBondContact O-N 3.35Å; M394-L399 HydrophobicContact CB-CG 4.46Å; M394-L399 PolarHBondContact O-N 2.97Å; M394-I430 HydrophobicContact CE-CD1 3.65Å; M394-I430 HydrophobicContact CE-CG1 4.45Å; M394-I430 HydrophobicContact SD-CD1 3.63Å; M394-I430 HydrophobicContact SD-CG1 3.87Å; M394-F434 HydrophobicContact SD-CE1 3.85Å; M394-F434 HydrophobicContact SD-CZ 3.82Å
395	L	95.6	Very high	95.4	Very high	60 Å²	60	46.6 Å²	46.6	31%	0.314	23%	0.228	S	C	.	.	H	α-helix	trans	-57.4	-37.8	179.1	-63.7	176.7	0	0	0	112.1	V391 L399 Y449	V391-L395 HydrophobicContact CG1-CD1 4.19Å; V391-L395 HydrophobicContact CG1-CG 4.43Å; V391-L395 WeakPolarHBondContact O-CG 3.47Å; V391-L395 PolarHBondContact O-N 2.56Å; L395-L399 HydrophobicContact CD2-CD1 3.56Å; L395-Y449 HydrophobicContact CD1-CE2 4.44Å; L395-Y449 HydrophobicContact CD2-CD1 3.52Å; L395-Y449 HydrophobicContact CD2-CD2 3.93Å; L395-Y449 HydrophobicContact CD2-CE1 3.48Å; L395-Y449 VanDerWaalsContact CD2-CE1 3.48Å; L395-Y449 HydrophobicContact CD2-CE2 3.89Å; L395-Y449 HydrophobicContact CD2-CG 3.75Å
396	K	97.4	Very high	96	Very high	150 Å²	150	48 Å²	48	65%	0.652	23%	0.225	S	C	*	.	H	α-helix	trans	-79.5	-39.1	-177.3	-176.9	173.5	177.5	176.4	0	113.5	R392 G393 M394	R392-K396 VanDerWaalsContact O-CB 3.22Å; R392-K396 WeakPolarHBondContact O-CB 3.33Å; R392-K396 PolarHBondContact O-N 2.59Å; R392-K396 VanDerWaalsContact O-N 3.1Å; G393-K396 PolarHBondContact O-N 2.88Å; M394-K396 PolarHBondContact O-N 3.33Å
397	H	97.9	Very high	96.2	Very high	44 Å²	44	48.1 Å²	48.1	20%	0.204	23%	0.226	C	C	.	.	H	α-helix	trans	-120.3	-27	-162.8	-57.4	-73.2	0	0	0	114.8	S335 L337 G393 M394 I413	S335-H397 PolarHBondContact OG-NE2 3.45Å; S335-H397 VanDerWaalsContact OG-NE2 3.17Å; L337-H397 HydrophobicContact CD1-CB 4.25Å; G393-H397 WeakPolarHBondContact O-CB 3.16Å; G393-H397 PolarHBondContact O-CD2 3.28Å; G393-H397 PolarHBondContact O-N 3.4Å; M394-H397 PolarHBondContact O-N 3.34Å; H397-I413 HydrophobicContact CB-CD1 3.9Å
398	L	98.1	Very high	96.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-34.7	-172.6	-57.4	-175	0	0	0	113.6	L337 I356 L358 M394 G411 I413 F419	L337-L398 HydrophobicContact CD1-CD1 3.66Å; L337-L398 HydrophobicContact CD1-CD2 4.24Å; L337-L398 HydrophobicContact CD1-CG 3.63Å; L337-L398 HydrophobicContact CD2-CD1 4.09Å; L337-L398 HydrophobicContact CG-CD1 4.49Å; I356-L398 HydrophobicContact CG2-CD1 4.4Å; I356-L398 HydrophobicContact CG2-CD2 4.23Å; L358-L398 HydrophobicContact CD1-CD1 4.45Å; L358-L398 HydrophobicContact CD2-CD1 3.87Å; L358-L398 HydrophobicContact CG-CD1 3.83Å; M394-L398 PolarHBondContact O-N 3.35Å; L398-G411 PolarHBondContact O-N 3.45Å; L398-I413 HydrophobicContact CD2-CD1 3.91Å; L398-I413 HydrophobicContact CD2-CG1 3.8Å; L398-F419 WeakPolarHBondContact O-CE2 3.39Å
399	L	98.1	Very high	96.8	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.099	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.6	-177.4	-62.9	-178.2	0	0	0	111.3	M394 L395 L408 F409 A410 F434 Y449 I453	M394-L399 HydrophobicContact CB-CG 4.46Å; M394-L399 PolarHBondContact O-N 2.97Å; L395-L399 HydrophobicContact CD2-CD1 3.56Å; L399-L408 HydrophobicContact CB-CD1 4.14Å; L399-L408 HydrophobicContact CD1-CD2 4.49Å; L399-F409 WeakPolarHBondContact CA-O 3.34Å; L399-A410 HydrophobicContact CD2-CB 3.74Å; L399-F434 HydrophobicContact CD1-CE2 4.4Å; L399-Y449 HydrophobicContact CD1-CD1 4.39Å; L399-I453 HydrophobicContact CD1-CD1 4.24Å; L399-I453 HydrophobicContact CD2-CD1 3.87Å
400	R	98.2	Very high	97.2	Very high	107 Å²	107	44.6 Å²	44.6	40%	0.404	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	165.4	174.9	-63.3	-164.2	-172.3	-175.4	-6.9	110.7	L408 F409 F419	R400-L408 WeakPolarHBondContact O-CA 3.27Å; R400-F409 HydrophobicContact CB-CE1 4.11Å; R400-F409 HydrophobicContact CB-CE2 4.31Å; R400-F409 HydrophobicContact CB-CZ 3.82Å; R400-F409 PolarHBondContact N-O 3.27Å; R400-F409 VanDerWaalsContact O-CD1 3.24Å; R400-F409 WeakPolarHBondContact O-CD1 3.47Å; R400-F409 PolarHBondContact O-N 2.59Å; R400-F419 HydrophobicContact CB-CZ 4.08Å; R400-F419 HydrophobicContact CG-CE1 4.12Å; R400-F419 HydrophobicContact CG-CE2 3.97Å; R400-F419 HydrophobicContact CG-CZ 3.59Å; R400-F419 VanDerWaalsContact NH2-CB 3.31Å
401	R	98.2	Very high	97.3	Very high	112 Å²	112	44.6 Å²	44.6	42%	0.423	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144	175.7	-65.6	-170.5	-179.8	-83.7	-0.2	112	K406 L407 L408 D452 Q477	R401-K406 WeakPolarHBondContact CD-O 3.49Å; R401-K406 PolarHBondContact NH1-O 2.61Å; R401-L407 CarbonylContact C-O 3.5Å; R401-L407 WeakPolarHBondContact CA-O 3.45Å; R401-L408 HydrophobicContact CG-CD1 4.04Å; R401-D452 IonicContact CZ-OD2 3.01Å; R401-D452 IonicContact NH1-OD2 3.01Å; R401-D452 PolarHBondContact NH1-OD2 2.61Å; R401-D452 VanDerWaalsContact NH1-OD2 3.11Å; R401-D452 IonicContact NH2-OD2 2.74Å; R401-D452 PolarHBondContact NH2-OD2 3.33Å; R401-Q477 PolarHBondContact O-NE2 3.17Å
402	S	98.2	Very high	97.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.208	C	C	.	.			trans	-81.8	175.5	173.1	63.6	0	0	0	0	112.6	K406 L407 N476 D484	S402-K406 VanDerWaalsContact O-CA 3.26Å; S402-K406 WeakPolarHBondContact O-CA 3.3Å; S402-K406 WeakPolarHBondContact O-CD 3.48Å; S402-K406 PolarHBondContact O-N 2.68Å; S402-L407 PolarHBondContact N-O 3.22Å; S402-L407 VanDerWaalsContact OG-CB 3.28Å; S402-L407 WeakPolarHBondContact OG-CB 3.34Å; S402-L407 PolarHBondContact OG-N 3.41Å; S402-L407 PolarHBondContact OG-O 2.69Å; S402-N476 CarbonylContact C-O 3.47Å; S402-N476 WeakPolarHBondContact CA-O 3.4Å; S402-N476 WeakPolarHBondContact CB-O 3.35Å; S402-D484 WeakPolarHBondContact CB-OD1 3.47Å; S402-D484 PolarHBondContact OG-OD1 2.86Å
403	E	97.8	Very high	97.7	Very high	40 Å²	40	39.3 Å²	39.3	19%	0.187	19%	0.188	C	C	.	.	S	Bend	trans	-123.7	140.5	169.6	-63.2	-66.7	167.3	0	0	110.2	K406 N476 P479 H483 D484	E403-K406 IonicContact OE1-NZ 3.22Å; E403-K406 PolarHBondContact OE1-NZ 2.89Å; E403-K406 WeakPolarHBondContact OE2-CE 3.35Å; E403-K406 IonicContact OE2-NZ 3.69Å; E403-K406 PolarHBondContact OE2-NZ 3.02Å; E403-N476 PolarHBondContact N-O 2.74Å; E403-N476 PolarHBondContact O-ND2 2.94Å; E403-P479 HydrophobicContact CG-CB 4.35Å; E403-H483 CarbonylContact O-C 3.55Å; E403-D484 VanDerWaalsContact C-OD1 3.31Å; E403-D484 VanDerWaalsContact O-CA 3.27Å; E403-D484 WeakPolarHBondContact O-CA 3.34Å
404	P	96.7	Very high	97.7	Very high	51 Å²	51	41 Å²	41	33%	0.331	20%	0.197	S	C	.	.	S	Bend	cis	-92.1	-17.6	2.7	34.7	-36.6	0	0	0	115	K406 D484	P404-K406 VanDerWaalsContact C-N 3.26Å; P404-K406 PolarHBondContact O-N 3.33Å; P404-D484 WeakPolarHBondContact CD-OD2 3.28Å
405	S	97.1	Very high	97.5	Very high	80 Å²	80	42.8 Å²	42.8	56%	0.559	21%	0.212	S	C	*	.	S	Bend	trans	-79.9	-3.3	-169.2	-49.1	0	0	0	0	114.3	L407 D484	S405-L407 VanDerWaalsContact C-N 3.34Å; S405-L407 PolarHBondContact O-N 2.85Å; S405-D484 WeakPolarHBondContact CA-OD1 3.44Å; S405-D484 WeakPolarHBondContact CB-OD1 3.47Å; S405-D484 WeakPolarHBondContact CB-OD2 3.36Å; S405-D484 PolarHBondContact N-OD1 2.79Å; S405-D484 PolarHBondContact N-OD2 2.88Å; S405-D484 PolarHBondContact OG-OD2 2.87Å
406	K	97.6	Very high	97.4	Very high	95 Å²	95	48 Å²	48	41%	0.413	23%	0.232	S	C	.	.			trans	63.7	32	176	-50.6	-56.9	-168.8	-176.7	0	114.6	R401 S402 E403 P404	R401-K406 WeakPolarHBondContact CD-O 3.49Å; R401-K406 PolarHBondContact NH1-O 2.61Å; S402-K406 VanDerWaalsContact O-CA 3.26Å; S402-K406 WeakPolarHBondContact O-CA 3.3Å; S402-K406 WeakPolarHBondContact O-CD 3.48Å; S402-K406 PolarHBondContact O-N 2.68Å; E403-K406 IonicContact OE1-NZ 3.22Å; E403-K406 PolarHBondContact OE1-NZ 2.89Å; E403-K406 WeakPolarHBondContact OE2-CE 3.35Å; E403-K406 IonicContact OE2-NZ 3.69Å; E403-K406 PolarHBondContact OE2-NZ 3.02Å; P404-K406 VanDerWaalsContact C-N 3.26Å; P404-K406 PolarHBondContact O-N 3.33Å
407	L	98.3	Very high	97.3	Very high	29 Å²	29	42.7 Å²	42.7	15%	0.152	22%	0.219	C	C	.	.			trans	-61.5	133.5	176.2	-57.5	177.2	0	0	0	110.7	R401 S402 S405 T456 A459 D484 L485	R401-L407 CarbonylContact C-O 3.5Å; R401-L407 WeakPolarHBondContact CA-O 3.45Å; S402-L407 PolarHBondContact N-O 3.22Å; S402-L407 VanDerWaalsContact OG-CB 3.28Å; S402-L407 WeakPolarHBondContact OG-CB 3.34Å; S402-L407 PolarHBondContact OG-N 3.41Å; S402-L407 PolarHBondContact OG-O 2.69Å; S405-L407 VanDerWaalsContact C-N 3.34Å; S405-L407 PolarHBondContact O-N 2.85Å; L407-T456 HydrophobicContact CB-CG2 4.16Å; L407-T456 WeakPolarHBondContact CB-OG1 3.39Å; L407-A459 HydrophobicContact CD1-CB 3.48Å; L407-A459 VanDerWaalsContact CD1-CB 3.48Å; L407-A459 HydrophobicContact CD2-CB 4.47Å; L407-D484 HydrophobicContact CD1-CB 3.82Å; L407-D484 HydrophobicContact CG-CB 4.47Å; L407-L485 HydrophobicContact CD1-CD2 4.26Å
408	L	98.6	Very high	97.2	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	108.7	-179.4	-175.4	72.5	0	0	0	111	L399 R400 R401 Y449 D452 I453 T456	L399-L408 HydrophobicContact CB-CD1 4.14Å; L399-L408 HydrophobicContact CD1-CD2 4.49Å; R400-L408 WeakPolarHBondContact O-CA 3.27Å; R401-L408 HydrophobicContact CG-CD1 4.04Å; L408-Y449 HydrophobicContact CD2-CD1 3.65Å; L408-Y449 HydrophobicContact CD2-CG 4.48Å; L408-D452 HydrophobicContact CB-CB 3.71Å; L408-D452 HydrophobicContact CD2-CB 3.81Å; L408-D452 HydrophobicContact CG-CB 4.43Å; L408-I453 HydrophobicContact CD2-CD1 4.4Å; L408-I453 HydrophobicContact CD2-CG1 3.91Å; L408-I453 HydrophobicContact CG-CG1 4.21Å; L408-T456 PolarHBondContact N-OG1 2.76Å; L408-T456 WeakPolarHBondContact O-CB 3.06Å; L408-T456 PolarHBondContact O-OG1 3.42Å
409	F	98.2	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	157.7	-178.1	68.5	-90.7	0	0	0	112.1	L399 R400 F419 P421 M423 T456 F475 Q477	L399-F409 WeakPolarHBondContact CA-O 3.34Å; R400-F409 HydrophobicContact CB-CE1 4.11Å; R400-F409 HydrophobicContact CB-CE2 4.31Å; R400-F409 HydrophobicContact CB-CZ 3.82Å; R400-F409 PolarHBondContact N-O 3.27Å; R400-F409 VanDerWaalsContact O-CD1 3.24Å; R400-F409 WeakPolarHBondContact O-CD1 3.47Å; R400-F409 PolarHBondContact O-N 2.59Å; F409-F419 HydrophobicContact CE2-CE1 4.06Å; F409-F419 AromaticContact CE2-CZ 3.75Å; F409-F419 HydrophobicContact CE2-CZ 3.75Å; F409-F419 HydrophobicContact CZ-CE1 4.28Å; F409-F419 HydrophobicContact CZ-CZ 4.25Å; F409-P421 HydrophobicContact CE2-CB 3.8Å; F409-P421 HydrophobicContact CZ-CB 3.81Å; F409-M423 HydrophobicContact CB-SD 3.9Å; F409-T456 HydrophobicContact CB-CG2 3.91Å; F409-F475 HydrophobicContact CB-CD1 3.81Å; F409-F475 HydrophobicContact CB-CD2 3.74Å; F409-F475 HydrophobicContact CB-CE1 3.87Å; F409-F475 HydrophobicContact CB-CE2 3.84Å; F409-F475 HydrophobicContact CB-CG 3.74Å; F409-F475 HydrophobicContact CB-CZ 3.88Å; F409-F475 HydrophobicContact CD1-CB 3.46Å; F409-F475 VanDerWaalsContact CD1-CB 3.46Å; F409-F475 AromaticContact CD1-CD1 3.68Å; F409-F475 HydrophobicContact CD1-CD1 3.68Å; F409-F475 HydrophobicContact CD1-CD2 4.24Å; F409-F475 AromaticContact CD1-CG 3.5Å; F409-F475 HydrophobicContact CD1-CG 3.5Å; F409-F475 VanDerWaalsContact CD1-CG 3.5Å; F409-F475 HydrophobicContact CD2-CB 3.93Å; F409-F475 AromaticContact CD2-CD2 3.83Å; F409-F475 HydrophobicContact CD2-CD2 3.83Å; F409-F475 AromaticContact CD2-CG 3.88Å; F409-F475 HydrophobicContact CD2-CG 3.88Å; F409-F475 HydrophobicContact CE1-CB 3.41Å; F409-F475 VanDerWaalsContact CE1-CB 3.41Å; F409-F475 HydrophobicContact CE1-CD1 4.44Å; F409-F475 HydrophobicContact CE1-CG 4.02Å; F409-F475 HydrophobicContact CE2-CB 3.91Å; F409-F475 HydrophobicContact CE2-CG 4.37Å; F409-F475 HydrophobicContact CG-CB 3.72Å; F409-F475 AromaticContact CG-CD1 3.82Å; F409-F475 HydrophobicContact CG-CD1 3.82Å; F409-F475 AromaticContact CG-CD2 3.67Å; F409-F475 HydrophobicContact CG-CD2 3.67Å; F409-F475 HydrophobicContact CG-CE1 4.39Å; F409-F475 HydrophobicContact CG-CE2 4.29Å; F409-F475 AromaticContact CG-CG 3.41Å; F409-F475 HydrophobicContact CG-CG 3.41Å; F409-F475 VanDerWaalsContact CG-CG 3.41Å; F409-F475 HydrophobicContact CZ-CB 3.65Å; F409-F475 HydrophobicContact CZ-CG 4.43Å; F409-Q477 HydrophobicContact CE1-CG 4.38Å; F409-Q477 HydrophobicContact CZ-CG 4.06Å
410	A	97.3	Very high	97.2	Very high	3 Å²	3	48.6 Å²	48.6	3%	0.025	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	102.1	174.1	0	0	0	0	0	110.7	L358 L399 M423	L358-A410 HydrophobicContact CD1-CB 3.89Å; L399-A410 HydrophobicContact CD2-CB 3.74Å; A410-M423 HydrophobicContact CB-SD 4.35Å; A410-M423 PolarHBondContact N-SD 2.93Å; A410-M423 VanDerWaalsContact N-SD 3.44Å; A410-M423 WeakPolarHBondContact O-CB 3.24Å; A410-M423 WeakPolarHBondContact O-CG 3.49Å
411	G	97.8	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.			trans	-78.8	-173.5	173	0	0	0	0	0	113.3	L398 Q420 K422	L398-G411 PolarHBondContact O-N 3.45Å; G411-Q420 WeakPolarHBondContact CA-O 3.4Å; G411-K422 WeakPolarHBondContact CA-O 3.35Å
412	E	97.8	Very high	97.2	Very high	18 Å²	18	41.3 Å²	41.3	8%	0.084	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	161.2	179.9	-53.1	-172.7	158.7	0	0	111.6	T355 I356 T357 F419 Q420 K422	T355-E412 HydrophobicContact CG2-CB 3.74Å; T355-E412 HydrophobicContact CG2-CG 4.4Å; I356-E412 CarbonylContact O-C 3.51Å; I356-E412 WeakPolarHBondContact O-CA 3.48Å; T357-E412 WeakPolarHBondContact CB-OE1 3.44Å; T357-E412 VanDerWaalsContact OG1-CG 3.32Å; T357-E412 WeakPolarHBondContact OG1-CG 3.37Å; T357-E412 PolarHBondContact OG1-OE1 2.84Å; E412-F419 CarbonylContact O-C 3.59Å; E412-F419 WeakPolarHBondContact O-CA 3.29Å; E412-Q420 HydrophobicContact CB-CB 4.5Å; E412-Q420 PolarHBondContact N-O 3.38Å; E412-Q420 PolarHBondContact O-N 2.03Å; E412-K422 VanDerWaalsContact CD-NZ 3.33Å; E412-K422 IonicContact OE1-NZ 2.71Å; E412-K422 PolarHBondContact OE1-NZ 3.07Å; E412-K422 IonicContact OE2-NZ 3.55Å; E412-K422 PolarHBondContact OE2-NZ 3.47Å
413	I	97.9	Very high	97.1	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.046	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115.2	169.9	-55	168.4	0	0	0	108.1	Y334 T355 I356 H397 L398 G417 E418	Y334-I413 HydrophobicContact CD1-CD1 3.77Å; Y334-I413 HydrophobicContact CE1-CD1 3.82Å; Y334-I413 HydrophobicContact CE1-CG2 4.27Å; Y334-I413 HydrophobicContact CG-CD1 4.38Å; T355-I413 CarbonylContact C-O 3.55Å; T355-I413 WeakPolarHBondContact CA-O 3.29Å; T355-I413 VanDerWaalsContact CG2-O 3.3Å; T355-I413 WeakPolarHBondContact CG2-O 3.47Å; I356-I413 HydrophobicContact CB-CB 4.1Å; I356-I413 HydrophobicContact CB-CD1 4.5Å; I356-I413 HydrophobicContact CG1-CB 4.34Å; I356-I413 PolarHBondContact N-O 3.2Å; I356-I413 PolarHBondContact O-N 3.16Å; H397-I413 HydrophobicContact CB-CD1 3.9Å; L398-I413 HydrophobicContact CD2-CD1 3.91Å; L398-I413 HydrophobicContact CD2-CG1 3.8Å; I413-G417 VanDerWaalsContact CG2-C 3.45Å; I413-E418 WeakPolarHBondContact CA-O 3.35Å
414	N	96.2	Very high	97.1	Very high	35 Å²	35	39.8 Å²	39.8	19%	0.187	22%	0.216	C	C	.	.			trans	-68.6	174	-179.4	73.9	15.8	0	0	0	111.8	K416 G417 E418 Q420	N414-K416 PolarHBondContact O-N 2.82Å; N414-K416 VanDerWaalsContact O-N 3.09Å; N414-K416 WeakPolarHBondContact OD1-CA 3.31Å; N414-K416 WeakPolarHBondContact OD1-CB 3.44Å; N414-K416 PolarHBondContact OD1-N 3.11Å; N414-G417 PolarHBondContact O-N 3.36Å; N414-G417 PolarHBondContact OD1-N 3.02Å; N414-E418 PolarHBondContact N-O 3.4Å; N414-E418 PolarHBondContact ND2-OE2 3.13Å; N414-E418 PolarHBondContact OD1-N 3.3Å; N414-Q420 HydrophobicContact CB-CG 4.34Å; N414-Q420 PolarHBondContact ND2-NE2 3.38Å
415	A	94.1	Very high	97.2	Very high	38 Å²	38	37.6 Å²	37.6	31%	0.314	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.6	-179.6	0	0	0	0	0	114.3	G417	A415-G417 VanDerWaalsContact C-N 3.29Å
416	K	94.4	Very high	97.1	Very high	170 Å²	170	34.7 Å²	34.7	74%	0.739	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-9.1	175.1	-60	179.8	-179.2	176.6	0	113.1	N414 E418	N414-K416 PolarHBondContact O-N 2.82Å; N414-K416 VanDerWaalsContact O-N 3.09Å; N414-K416 WeakPolarHBondContact OD1-CA 3.31Å; N414-K416 WeakPolarHBondContact OD1-CB 3.44Å; N414-K416 PolarHBondContact OD1-N 3.11Å; K416-E418 HydrophobicContact CB-CG 4.14Å
417	G	94.7	Very high	97.1	Very high	37 Å²	37	30.2 Å²	30.2	38%	0.381	16%	0.161	S	C	.	.	S	Bend	trans	88.3	11.6	-175.1	0	0	0	0	0	113.9	I413 N414 A415	I413-G417 VanDerWaalsContact CG2-C 3.45Å; N414-G417 PolarHBondContact O-N 3.36Å; N414-G417 PolarHBondContact OD1-N 3.02Å; A415-G417 VanDerWaalsContact C-N 3.29Å
418	E	96.9	Very high	97.1	Very high	95 Å²	95	28.9 Å²	28.9	44%	0.444	15%	0.153	S	C	.	.			trans	-91.2	134	-179.1	-56.8	158.9	167.6	0	0	110.2	I413 N414 K416	I413-E418 WeakPolarHBondContact CA-O 3.35Å; N414-E418 PolarHBondContact N-O 3.4Å; N414-E418 PolarHBondContact ND2-OE2 3.13Å; N414-E418 PolarHBondContact OD1-N 3.3Å; K416-E418 HydrophobicContact CB-CG 4.14Å
419	F	98.1	Very high	97.1	Very high	32 Å²	32	28.7 Å²	28.7	14%	0.14	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.9	174.5	-179.5	-91.6	0	0	0	111.1	L398 R400 F409 E412 P421	L398-F419 WeakPolarHBondContact O-CE2 3.39Å; R400-F419 HydrophobicContact CB-CZ 4.08Å; R400-F419 HydrophobicContact CG-CE1 4.12Å; R400-F419 HydrophobicContact CG-CE2 3.97Å; R400-F419 HydrophobicContact CG-CZ 3.59Å; R400-F419 VanDerWaalsContact NH2-CB 3.31Å; F409-F419 HydrophobicContact CE2-CE1 4.06Å; F409-F419 AromaticContact CE2-CZ 3.75Å; F409-F419 HydrophobicContact CE2-CZ 3.75Å; F409-F419 HydrophobicContact CZ-CE1 4.28Å; F409-F419 HydrophobicContact CZ-CZ 4.25Å; E412-F419 CarbonylContact O-C 3.59Å; E412-F419 WeakPolarHBondContact O-CA 3.29Å; F419-P421 HydrophobicContact CE1-CB 3.98Å
420	Q	97.7	Very high	97	Very high	61 Å²	61	28.7 Å²	28.7	29%	0.285	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.1	174.9	-59.9	-60.5	-45.7	0	0	108.3	G411 E412 N414 K422	G411-Q420 WeakPolarHBondContact CA-O 3.4Å; E412-Q420 HydrophobicContact CB-CB 4.5Å; E412-Q420 PolarHBondContact N-O 3.38Å; E412-Q420 PolarHBondContact O-N 2.03Å; N414-Q420 HydrophobicContact CB-CG 4.34Å; N414-Q420 PolarHBondContact ND2-NE2 3.38Å; Q420-K422 HydrophobicContact CB-CB 4.37Å; Q420-K422 PolarHBondContact O-N 3.12Å
421	P	97.7	Very high	97.1	Very high	30 Å²	30	28.6 Å²	28.6	20%	0.195	15%	0.151	C	C	.	.			trans	-78.9	42.8	177.1	35.4	-36.3	0	0	0	111.8	F409 F419 Y474 F475 Q477	F409-P421 HydrophobicContact CE2-CB 3.8Å; F409-P421 HydrophobicContact CZ-CB 3.81Å; F419-P421 HydrophobicContact CE1-CB 3.98Å; P421-Y474 HydrophobicContact CG-CD1 4.45Å; P421-Y474 CarbonylContact O-C 3.59Å; P421-Y474 VanDerWaalsContact O-CA 3.3Å; P421-Y474 WeakPolarHBondContact O-CA 3.23Å; P421-F475 HydrophobicContact CB-CB 4.44Å; P421-F475 VanDerWaalsContact CB-O 3.29Å; P421-F475 WeakPolarHBondContact CB-O 3.3Å; P421-F475 PolarHBondContact O-N 2.78Å; P421-Q477 HydrophobicContact CB-CG 4.34Å
422	K	97.6	Very high	97	Very high	35 Å²	35	28.6 Å²	28.6	15%	0.152	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132.7	178.2	173.1	-176	166.1	-87.7	0	108.3	G411 E412 Q420 D424 I472 Y474	G411-K422 WeakPolarHBondContact CA-O 3.35Å; E412-K422 VanDerWaalsContact CD-NZ 3.33Å; E412-K422 IonicContact OE1-NZ 2.71Å; E412-K422 PolarHBondContact OE1-NZ 3.07Å; E412-K422 IonicContact OE2-NZ 3.55Å; E412-K422 PolarHBondContact OE2-NZ 3.47Å; Q420-K422 HydrophobicContact CB-CB 4.37Å; Q420-K422 PolarHBondContact O-N 3.12Å; K422-D424 WeakPolarHBondContact CE-OD1 3.4Å; K422-D424 IonicContact NZ-OD1 2.68Å; K422-D424 PolarHBondContact NZ-OD1 3.1Å; K422-D424 IonicContact NZ-OD2 2.68Å; K422-I472 HydrophobicContact CD-CG2 4.12Å; K422-I472 HydrophobicContact CG-CG2 3.64Å; K422-Y474 HydrophobicContact CB-CD1 4.1Å; K422-Y474 HydrophobicContact CB-CE1 3.71Å; K422-Y474 HydrophobicContact CG-CE1 4.41Å
423	M	97.8	Very high	96.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.8	172.6	-171.5	176	165.2	0	0	109.5	F409 A410 A427 I453 A473 F475	F409-M423 HydrophobicContact CB-SD 3.9Å; A410-M423 HydrophobicContact CB-SD 4.35Å; A410-M423 PolarHBondContact N-SD 2.93Å; A410-M423 VanDerWaalsContact N-SD 3.44Å; A410-M423 WeakPolarHBondContact O-CB 3.24Å; A410-M423 WeakPolarHBondContact O-CG 3.49Å; M423-A427 HydrophobicContact CE-CB 3.8Å; M423-A427 HydrophobicContact CG-CB 3.79Å; M423-I453 HydrophobicContact CE-CG2 4.42Å; M423-A473 PolarHBondContact N-O 3.05Å; M423-A473 PolarHBondContact O-N 2.79Å; M423-F475 HydrophobicContact CB-CD2 4.18Å; M423-F475 HydrophobicContact CB-CE2 3.69Å; M423-F475 HydrophobicContact SD-CE2 4.2Å; M423-F475 HydrophobicContact SD-CZ 4.43Å
424	D	97.1	Very high	96.8	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.043	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	148.5	170.6	-62	17.5	0	0	0	108.7	A360 K422 L426 A427	A360-D424 PolarHBondContact N-OD2 3.33Å; K422-D424 WeakPolarHBondContact CE-OD1 3.4Å; K422-D424 IonicContact NZ-OD1 2.68Å; K422-D424 PolarHBondContact NZ-OD1 3.1Å; K422-D424 IonicContact NZ-OD2 2.68Å; D424-L426 HydrophobicContact CB-CB 4.16Å; D424-L426 PolarHBondContact O-N 2.84Å; D424-A427 WeakPolarHBondContact O-CB 3.3Å; D424-A427 PolarHBondContact O-N 2.96Å
425	H	97.6	Very high	96.7	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.019	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-52.6	-38.4	169.8	-172.8	-78.3	0	0	0	111.8	A427 C428 M460 Y461 E471 E497	H425-A427 PolarHBondContact O-N 3.49Å; H425-A427 VanDerWaalsContact O-N 3.11Å; H425-C428 WeakPolarHBondContact O-CB 3.36Å; H425-C428 PolarHBondContact O-N 3.5Å; H425-M460 HydrophobicContact CB-CE 4.35Å; H425-Y461 PolarHBondContact CE1-OH 3.36Å; H425-Y461 AromaticContact NE2-CE2 3.7Å; H425-Y461 AromaticContact NE2-CZ 3.4Å; H425-Y461 PolarHBondContact NE2-OH 3.33Å; H425-E471 PolarHBondContact N-O 3.47Å; H425-E497 IonicContact CE1-OE2 3.94Å; H425-E497 PolarHBondContact CE1-OE2 3.1Å; H425-E497 IonicContact CG-OE2 3.41Å; H425-E497 IonicContact ND1-OE2 2.88Å; H425-E497 PolarHBondContact ND1-OE2 2.95Å
426	L	96.8	Very high	96.6	Very high	20 Å²	20	24.6 Å²	24.6	11%	0.105	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-48.3	-40.2	175.2	-71.7	166.1	0	0	0	111.9	A360 D424 C428 F429 E497	A360-L426 HydrophobicContact CB-CD1 3.89Å; D424-L426 HydrophobicContact CB-CB 4.16Å; D424-L426 PolarHBondContact O-N 2.84Å; L426-C428 PolarHBondContact O-N 2.96Å; L426-F429 VanDerWaalsContact O-CD1 3.23Å; L426-F429 WeakPolarHBondContact O-CD1 3.45Å; L426-F429 PolarHBondContact O-N 2.85Å; L426-E497 HydrophobicContact CD2-CG 4.43Å; L426-E497 WeakPolarHBondContact CD2-OE1 3.46Å
427	A	97.4	Very high	96.3	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-64.3	-11	-177.4	0	0	0	0	0	114	L358 M423 D424 H425 F429 I430	L358-A427 HydrophobicContact CB-CB 4.07Å; M423-A427 HydrophobicContact CE-CB 3.8Å; M423-A427 HydrophobicContact CG-CB 3.79Å; D424-A427 WeakPolarHBondContact O-CB 3.3Å; D424-A427 PolarHBondContact O-N 2.96Å; H425-A427 PolarHBondContact O-N 3.49Å; H425-A427 VanDerWaalsContact O-N 3.11Å; A427-F429 PolarHBondContact O-N 3.46Å; A427-I430 VanDerWaalsContact O-CG2 3.22Å; A427-I430 WeakPolarHBondContact O-CG2 3.26Å; A427-I430 PolarHBondContact O-N 3.16Å
428	C	98.2	Very high	95.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-61.2	-24.2	173.1	-76.2	0	0	0	0	113.7	H425 L426 I430 S431 C457 E497 A498	H425-C428 WeakPolarHBondContact O-CB 3.36Å; H425-C428 PolarHBondContact O-N 3.5Å; L426-C428 PolarHBondContact O-N 2.96Å; C428-I430 PolarHBondContact O-N 3.01Å; C428-S431 WeakPolarHBondContact O-CB 3.2Å; C428-S431 PolarHBondContact O-N 3.37Å; C428-S431 VanDerWaalsContact O-N 3.13Å; C428-C457 WeakPolarHBondContact CA-SG 3.49Å; C428-C457 HydrophobicContact CB-CB 4.04Å; C428-C457 WeakPolarHBondContact CB-SG 3.39Å; C428-C457 WeakPolarHBondContact SG-CB 3.23Å; C428-C457 CovalentContact SG-SG 2.04Å; C428-C457 PolarHBondContact SG-SG 3.49Å; C428-E497 HydrophobicContact CB-CB 3.98Å; C428-A498 HydrophobicContact CB-CB 4.29Å
429	F	97.1	Very high	94.9	Very high	5 Å²	5	12.6 Å²	12.6	2%	0.022	6%	0.064	C	C	.	.	H	α-helix	trans	-53.6	-31.8	178	88.7	-90.1	0	0	0	111.8	L358 D363 E367 L426 A427 S431 G432 A433 E497	L358-F429 HydrophobicContact CB-CE1 4.36Å; L358-F429 WeakPolarHBondContact O-CE1 3.21Å; D363-F429 HydrophobicContact CB-CD1 4.17Å; D363-F429 HydrophobicContact CB-CE1 3.96Å; D363-F429 WeakPolarHBondContact O-CE1 3.33Å; D363-F429 WeakPolarHBondContact O-CZ 3.25Å; E367-F429 HydrophobicContact CB-CD2 3.87Å; E367-F429 HydrophobicContact CB-CE2 3.67Å; E367-F429 HydrophobicContact CG-CD2 4.11Å; E367-F429 HydrophobicContact CG-CE2 4.36Å; L426-F429 VanDerWaalsContact O-CD1 3.23Å; L426-F429 WeakPolarHBondContact O-CD1 3.45Å; L426-F429 PolarHBondContact O-N 2.85Å; A427-F429 PolarHBondContact O-N 3.46Å; F429-S431 PolarHBondContact O-N 3.3Å; F429-G432 WeakPolarHBondContact O-CA 3.41Å; F429-G432 PolarHBondContact O-N 3.36Å; F429-A433 HydrophobicContact CD2-CB 4.22Å; F429-A433 HydrophobicContact CE2-CB 4.24Å; F429-A433 PolarHBondContact O-N 2.91Å; F429-E497 HydrophobicContact CB-CB 4.29Å; F429-E497 HydrophobicContact CB-CG 4.27Å
430	I	97.4	Very high	93.8	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-64.3	-28.9	-173.6	-161.4	62.7	0	0	0	112.2	L358 M394 A427 C428 A433 F434 I453	L358-I430 HydrophobicContact CD1-CB 4.26Å; L358-I430 HydrophobicContact CD1-CG1 4.08Å; L358-I430 HydrophobicContact CD1-CG2 4.31Å; M394-I430 HydrophobicContact CE-CD1 3.65Å; M394-I430 HydrophobicContact CE-CG1 4.45Å; M394-I430 HydrophobicContact SD-CD1 3.63Å; M394-I430 HydrophobicContact SD-CG1 3.87Å; A427-I430 VanDerWaalsContact O-CG2 3.22Å; A427-I430 WeakPolarHBondContact O-CG2 3.26Å; A427-I430 PolarHBondContact O-N 3.16Å; C428-I430 PolarHBondContact O-N 3.01Å; I430-A433 HydrophobicContact CD1-CB 4.27Å; I430-A433 PolarHBondContact O-N 3.11Å; I430-F434 HydrophobicContact CD1-CD1 4.02Å; I430-F434 HydrophobicContact CD1-CE1 3.63Å; I430-F434 HydrophobicContact CD1-CZ 4.33Å; I430-F434 HydrophobicContact CG1-CD1 3.95Å; I430-F434 HydrophobicContact CG1-CE1 3.54Å; I430-F434 HydrophobicContact CG1-CE2 4.4Å; I430-F434 HydrophobicContact CG1-CZ 3.81Å; I430-F434 VanDerWaalsContact O-CB 3.31Å; I430-F434 WeakPolarHBondContact O-CB 3.33Å; I430-F434 WeakPolarHBondContact O-CD1 3.21Å; I430-F434 VanDerWaalsContact O-CG 3.29Å; I430-F434 WeakPolarHBondContact O-CG 3.42Å; I430-F434 PolarHBondContact O-N 2.93Å; I430-I453 HydrophobicContact CG2-CD1 3.87Å; I430-I453 HydrophobicContact CG2-CG2 4.06Å
431	S	98.2	Very high	92.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.3	-47.9	172.2	168	0	0	0	0	110.7	C428 F429 F434 A435 A450	C428-S431 WeakPolarHBondContact O-CB 3.2Å; C428-S431 PolarHBondContact O-N 3.37Å; C428-S431 VanDerWaalsContact O-N 3.13Å; F429-S431 PolarHBondContact O-N 3.3Å; S431-F434 PolarHBondContact O-N 3.48Å; S431-A435 PolarHBondContact O-N 2.75Å; S431-A450 WeakPolarHBondContact O-CB 3.39Å; S431-A450 PolarHBondContact OG-O 2.81Å
432	G	96.7	Very high	91.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.3	-43.6	175.2	0	0	0	0	0	112.5	F429 F434 A435 L436	F429-G432 WeakPolarHBondContact O-CA 3.41Å; F429-G432 PolarHBondContact O-N 3.36Å; G432-F434 VanDerWaalsContact C-N 3.34Å; G432-F434 PolarHBondContact O-N 3.39Å; G432-A435 PolarHBondContact O-N 3.46Å; G432-L436 WeakPolarHBondContact O-CB 2.77Å; G432-L436 PolarHBondContact O-N 2.95Å
433	A	96.1	Very high	90.3	Very high	6 Å²	6	12 Å²	12	5%	0.05	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-38	176.9	0	0	0	0	0	112.7	L370 F429 I430 A437	L370-A433 VanDerWaalsContact CD2-O 3.3Å; L370-A433 WeakPolarHBondContact CD2-O 3.12Å; F429-A433 HydrophobicContact CD2-CB 4.22Å; F429-A433 HydrophobicContact CE2-CB 4.24Å; F429-A433 PolarHBondContact O-N 2.91Å; I430-A433 HydrophobicContact CD1-CB 4.27Å; I430-A433 PolarHBondContact O-N 3.11Å; A433-A437 VanDerWaalsContact O-CB 3.28Å; A433-A437 WeakPolarHBondContact O-CB 3.15Å; A433-A437 PolarHBondContact O-N 2.89Å
434	F	95.8	Very high	89.1	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.5	-44.9	174.5	-80.7	9.2	0	0	0	111.8	F387 V391 M394 L399 I430 S431 G432 A437 V438 L446 A450 I453	F387-F434 HydrophobicContact CZ-CD1 4.47Å; V391-F434 HydrophobicContact CG1-CE1 4.41Å; V391-F434 HydrophobicContact CG1-CZ 4.37Å; V391-F434 HydrophobicContact CG2-CD1 4.46Å; V391-F434 HydrophobicContact CG2-CE1 3.8Å; V391-F434 HydrophobicContact CG2-CZ 4.48Å; M394-F434 HydrophobicContact SD-CE1 3.85Å; M394-F434 HydrophobicContact SD-CZ 3.82Å; L399-F434 HydrophobicContact CD1-CE2 4.4Å; I430-F434 HydrophobicContact CD1-CD1 4.02Å; I430-F434 HydrophobicContact CD1-CE1 3.63Å; I430-F434 HydrophobicContact CD1-CZ 4.33Å; I430-F434 HydrophobicContact CG1-CD1 3.95Å; I430-F434 HydrophobicContact CG1-CE1 3.54Å; I430-F434 HydrophobicContact CG1-CE2 4.4Å; I430-F434 HydrophobicContact CG1-CZ 3.81Å; I430-F434 VanDerWaalsContact O-CB 3.31Å; I430-F434 WeakPolarHBondContact O-CB 3.33Å; I430-F434 WeakPolarHBondContact O-CD1 3.21Å; I430-F434 VanDerWaalsContact O-CG 3.29Å; I430-F434 WeakPolarHBondContact O-CG 3.42Å; I430-F434 PolarHBondContact O-N 2.93Å; S431-F434 PolarHBondContact O-N 3.48Å; G432-F434 VanDerWaalsContact C-N 3.34Å; G432-F434 PolarHBondContact O-N 3.39Å; F434-A437 PolarHBondContact O-N 3.34Å; F434-V438 WeakPolarHBondContact O-CG2 3.45Å; F434-V438 PolarHBondContact O-N 3.18Å; F434-L446 HydrophobicContact CB-CD1 4.34Å; F434-L446 HydrophobicContact CB-CD2 4.13Å; F434-L446 HydrophobicContact CB-CG 3.79Å; F434-L446 HydrophobicContact CD1-CD1 3.91Å; F434-L446 HydrophobicContact CD1-CD2 3.95Å; F434-L446 HydrophobicContact CD1-CG 4.06Å; F434-L446 HydrophobicContact CD2-CD1 3.44Å; F434-L446 VanDerWaalsContact CD2-CD1 3.44Å; F434-L446 HydrophobicContact CD2-CG 3.85Å; F434-L446 HydrophobicContact CE1-CD1 4.02Å; F434-L446 HydrophobicContact CE2-CD1 3.56Å; F434-L446 HydrophobicContact CE2-CG 4.45Å; F434-L446 HydrophobicContact CG-CD1 3.62Å; F434-L446 HydrophobicContact CG-CD2 3.98Å; F434-L446 HydrophobicContact CG-CG 3.62Å; F434-L446 HydrophobicContact CZ-CD1 3.85Å; F434-A450 HydrophobicContact CB-CB 3.75Å; F434-I453 HydrophobicContact CD2-CD1 4.39Å; F434-I453 HydrophobicContact CE2-CD1 4.14Å
435	A	93.3	Very high	88.2	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.3	-51	173.4	0	0	0	0	0	111	S431 G432 A437 V438 E439 A450 L505 L508	S431-A435 PolarHBondContact O-N 2.75Å; G432-A435 PolarHBondContact O-N 3.46Å; A435-A437 VanDerWaalsContact C-N 3.29Å; A435-A437 PolarHBondContact O-N 2.84Å; A435-V438 WeakPolarHBondContact O-CB 3.06Å; A435-V438 PolarHBondContact O-N 3.13Å; A435-V438 VanDerWaalsContact O-N 3.1Å; A435-E439 PolarHBondContact O-N 2.82Å; A435-A450 HydrophobicContact CB-CB 4.39Å; A435-L505 HydrophobicContact CB-CD2 4.22Å; A435-L508 HydrophobicContact CB-CD1 4.49Å; A435-L508 HydrophobicContact CB-CD2 4.09Å; A435-L508 WeakPolarHBondContact O-CD2 3.5Å
436	L	91.8	Very high	87.6	Confident	11 Å²	11	25.6 Å²	25.6	6%	0.058	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-38	176.6	-177.6	59.4	0	0	0	112.9	L370 K371 L374 G432 E439 H440 Y504	L370-L436 HydrophobicContact CD2-CB 4.12Å; L370-L436 HydrophobicContact CD2-CD2 4.08Å; L370-L436 HydrophobicContact CD2-CG 4.02Å; K371-L436 HydrophobicContact CG-CD2 4.49Å; L374-L436 HydrophobicContact CD1-CD1 4.28Å; L374-L436 HydrophobicContact CD1-CD2 3.94Å; L374-L436 HydrophobicContact CD1-CG 4.03Å; G432-L436 WeakPolarHBondContact O-CB 2.77Å; G432-L436 PolarHBondContact O-N 2.95Å; L436-E439 WeakPolarHBondContact O-CB 3.38Å; L436-E439 PolarHBondContact O-N 3.24Å; L436-H440 PolarHBondContact O-CD2 2.96Å; L436-H440 VanDerWaalsContact O-CD2 3.29Å; L436-H440 PolarHBondContact O-N 3.34Å; L436-Y504 HydrophobicContact CB-CD1 3.98Å; L436-Y504 HydrophobicContact CB-CE1 3.95Å; L436-Y504 HydrophobicContact CD1-CD1 4.38Å; L436-Y504 HydrophobicContact CD1-CE1 3.92Å; L436-Y504 HydrophobicContact CD2-CE1 3.98Å; L436-Y504 HydrophobicContact CG-CE1 4.16Å
437	A	88.5	Confident	87.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-43.5	175.7	0	0	0	0	0	111.6	L370 F387 A433 F434 A435 E439 H440 G441 F442 L446	L370-A437 HydrophobicContact CD1-CB 4.15Å; L370-A437 HydrophobicContact CD2-CB 3.91Å; F387-A437 HydrophobicContact CE1-CB 3.6Å; F387-A437 HydrophobicContact CZ-CB 4.06Å; A433-A437 VanDerWaalsContact O-CB 3.28Å; A433-A437 WeakPolarHBondContact O-CB 3.15Å; A433-A437 PolarHBondContact O-N 2.89Å; F434-A437 PolarHBondContact O-N 3.34Å; A435-A437 VanDerWaalsContact C-N 3.29Å; A435-A437 PolarHBondContact O-N 2.84Å; A437-E439 VanDerWaalsContact C-N 3.32Å; A437-E439 PolarHBondContact O-N 3.19Å; A437-H440 CarbonylContact O-C 3.5Å; A437-H440 PolarHBondContact O-N 2.92Å; A437-H440 VanDerWaalsContact O-N 3.1Å; A437-G441 PolarHBondContact O-N 2.56Å; A437-F442 HydrophobicContact CB-CB 4.01Å; A437-F442 HydrophobicContact CB-CD2 3.76Å; A437-F442 HydrophobicContact CB-CE2 4.36Å; A437-F442 HydrophobicContact CB-CG 3.85Å; A437-F442 WeakPolarHBondContact O-CB 2.9Å; A437-F442 VanDerWaalsContact O-CD2 3.28Å; A437-F442 WeakPolarHBondContact O-CD2 3.29Å; A437-F442 PolarHBondContact O-N 3.1Å; A437-L446 HydrophobicContact CB-CD2 4.02Å
438	V	82.1	Confident	86.8	Confident	15 Å²	15	31.4 Å²	31.4	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-60.5	-43.9	176.6	172.9	0	0	0	0	110.8	F434 A435 H440 G441 L446 L447 L508	F434-V438 WeakPolarHBondContact O-CG2 3.45Å; F434-V438 PolarHBondContact O-N 3.18Å; A435-V438 WeakPolarHBondContact O-CB 3.06Å; A435-V438 PolarHBondContact O-N 3.13Å; A435-V438 VanDerWaalsContact O-N 3.1Å; V438-H440 PolarHBondContact O-N 3.13Å; V438-H440 VanDerWaalsContact O-N 3.17Å; V438-G441 PolarHBondContact O-N 2.81Å; V438-G441 VanDerWaalsContact O-N 3.09Å; V438-L446 HydrophobicContact CG2-CB 3.79Å; V438-L446 HydrophobicContact CG2-CG 4.47Å; V438-L447 HydrophobicContact CG1-CB 4.39Å; V438-L447 HydrophobicContact CG2-CB 4.12Å; V438-L508 HydrophobicContact CB-CD2 4.28Å; V438-L508 HydrophobicContact CG1-CD2 4.4Å
439	E	79.7	Confident	86.7	Confident	34 Å²	34	35.4 Å²	35.4	16%	0.159	18%	0.175	C	C	.	.	H	α-helix	trans	-56.8	-31.4	175.9	-172.2	52.2	-129.6	0	0	112.3	A435 L436 A437 L508 K578	A435-E439 PolarHBondContact O-N 2.82Å; L436-E439 WeakPolarHBondContact O-CB 3.38Å; L436-E439 PolarHBondContact O-N 3.24Å; A437-E439 VanDerWaalsContact C-N 3.32Å; A437-E439 PolarHBondContact O-N 3.19Å; E439-L508 HydrophobicContact CB-CD1 4.12Å; E439-L508 HydrophobicContact CB-CD2 4.15Å; E439-L508 HydrophobicContact CB-CG 4.34Å; E439-L508 HydrophobicContact CG-CD1 4.45Å; E439-K578 HydrophobicContact CG-CG 4.34Å; E439-K578 WeakPolarHBondContact OE1-CD 3.28Å; E439-K578 WeakPolarHBondContact OE1-CE 3.48Å; E439-K578 WeakPolarHBondContact OE1-CG 3.24Å; E439-K578 WeakPolarHBondContact OE2-CE 3.32Å
440	H	74.8	Confident	86.7	Confident	40 Å²	40	35.2 Å²	35.2	19%	0.185	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	20.6	179.9	-66	-56.4	0	0	0	115.1	W373 L374 L436 A437 V438	W373-H440 HydrophobicContact CH2-CB 4.37Å; W373-H440 WeakPolarHBondContact CH2-O 3.03Å; W373-H440 HydrophobicContact CZ3-CB 3.9Å; L374-H440 WeakPolarHBondContact CD1-CD2 3.26Å; L374-H440 HydrophobicContact CD2-CB 3.69Å; L374-H440 WeakPolarHBondContact CD2-CD2 3.38Å; L436-H440 PolarHBondContact O-CD2 2.96Å; L436-H440 VanDerWaalsContact O-CD2 3.29Å; L436-H440 PolarHBondContact O-N 3.34Å; A437-H440 CarbonylContact O-C 3.5Å; A437-H440 PolarHBondContact O-N 2.92Å; A437-H440 VanDerWaalsContact O-N 3.1Å; V438-H440 PolarHBondContact O-N 3.13Å; V438-H440 VanDerWaalsContact O-N 3.17Å
441	G	70.1	Confident	86.8	Confident	23 Å²	23	38.1 Å²	38.1	24%	0.237	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	21.1	166.9	0	0	0	0	0	115.4	R384 A437 V438	R384-G441 PolarHBondContact NH2-O 3.08Å; A437-G441 PolarHBondContact O-N 2.56Å; V438-G441 PolarHBondContact O-N 2.81Å; V438-G441 VanDerWaalsContact O-N 3.09Å
442	F	76.8	Confident	86.8	Confident	23 Å²	23	40 Å²	40	10%	0.101	20%	0.197	C	C	.	.	S	Bend	trans	-78.6	163.6	160.7	-74.3	-106.9	0	0	0	110.8	L370 W373 R384 F387 A388 A437 R444 L446	L370-F442 HydrophobicContact CD1-CE2 4.02Å; W373-F442 HydrophobicContact CE3-CE2 4.39Å; W373-F442 HydrophobicContact CH2-CE2 4.29Å; W373-F442 AromaticContact CZ3-CE2 3.86Å; W373-F442 HydrophobicContact CZ3-CE2 3.86Å; R384-F442 HydrophobicContact CG-CE2 4.17Å; R384-F442 HydrophobicContact CG-CZ 3.67Å; F387-F442 HydrophobicContact CD1-CD1 4.33Å; F387-F442 AromaticContact CD1-CE1 3.56Å; F387-F442 HydrophobicContact CD1-CE1 3.56Å; F387-F442 HydrophobicContact CD1-CE2 4.22Å; F387-F442 AromaticContact CD1-CZ 3.49Å; F387-F442 HydrophobicContact CD1-CZ 3.49Å; F387-F442 VanDerWaalsContact CD1-CZ 3.49Å; F387-F442 HydrophobicContact CE1-CD1 4.38Å; F387-F442 HydrophobicContact CE1-CE1 4.04Å; F387-F442 HydrophobicContact CE1-CZ 4.11Å; A388-F442 HydrophobicContact CB-CE1 3.9Å; A437-F442 HydrophobicContact CB-CB 4.01Å; A437-F442 HydrophobicContact CB-CD2 3.76Å; A437-F442 HydrophobicContact CB-CE2 4.36Å; A437-F442 HydrophobicContact CB-CG 3.85Å; A437-F442 WeakPolarHBondContact O-CB 2.9Å; A437-F442 VanDerWaalsContact O-CD2 3.28Å; A437-F442 WeakPolarHBondContact O-CD2 3.29Å; A437-F442 PolarHBondContact O-N 3.1Å; F442-R444 PolarHBondContact O-N 2.97Å; F442-L446 HydrophobicContact CB-CD2 4.37Å
443	A	72.3	Confident	86.9	Confident	61 Å²	61	40 Å²	40	50%	0.504	20%	0.197	S	C	.	.			trans	-58.4	135.2	-175	0	0	0	0	0	112.2	E445 L446	A443-E445 PolarHBondContact O-N 3.19Å; A443-E445 VanDerWaalsContact O-N 3.12Å; A443-L446 WeakPolarHBondContact O-CB 3.12Å; A443-L446 PolarHBondContact O-N 3.49Å
444	R	73.8	Confident	87	Confident	147 Å²	147	39.8 Å²	39.8	56%	0.555	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.1	178.5	-65.1	-176.3	70.4	155.8	-0.4	113.5	F442 L446 L447 Q639	F442-R444 PolarHBondContact O-N 2.97Å; R444-L446 PolarHBondContact O-N 3.22Å; R444-L446 VanDerWaalsContact O-N 3.14Å; R444-L447 WeakPolarHBondContact O-CA 3.43Å; R444-L447 WeakPolarHBondContact O-CB 3.35Å; R444-L447 PolarHBondContact O-N 2.71Å; R444-Q639 VanDerWaalsContact CG-OE1 3.25Å
445	E	77.6	Confident	87.1	Confident	140 Å²	140	43.5 Å²	43.5	65%	0.654	21%	0.212	S	C	*	.	H	α-helix	trans	-54.3	-32.1	174.8	-65.4	179.7	178.8	0	0	111.8	A443 L447 H448 Y449	A443-E445 PolarHBondContact O-N 3.19Å; A443-E445 VanDerWaalsContact O-N 3.12Å; E445-L447 PolarHBondContact O-N 3.13Å; E445-H448 WeakPolarHBondContact O-CB 3.47Å; E445-H448 PolarHBondContact O-N 3.12Å; E445-Y449 VanDerWaalsContact O-CD2 3.29Å; E445-Y449 WeakPolarHBondContact O-CD2 3.27Å
446	L	84.1	Confident	87.4	Confident	11 Å²	11	43.5 Å²	43.5	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-25.9	175.8	-163.6	63.5	0	0	0	112.7	V391 F434 A437 V438 F442 A443 R444 H448 Y449 A450	V391-L446 HydrophobicContact CG1-CD1 3.62Å; V391-L446 HydrophobicContact CG1-CD2 4.47Å; F434-L446 HydrophobicContact CB-CD1 4.34Å; F434-L446 HydrophobicContact CB-CD2 4.13Å; F434-L446 HydrophobicContact CB-CG 3.79Å; F434-L446 HydrophobicContact CD1-CD1 3.91Å; F434-L446 HydrophobicContact CD1-CD2 3.95Å; F434-L446 HydrophobicContact CD1-CG 4.06Å; F434-L446 HydrophobicContact CD2-CD1 3.44Å; F434-L446 VanDerWaalsContact CD2-CD1 3.44Å; F434-L446 HydrophobicContact CD2-CG 3.85Å; F434-L446 HydrophobicContact CE1-CD1 4.02Å; F434-L446 HydrophobicContact CE2-CD1 3.56Å; F434-L446 HydrophobicContact CE2-CG 4.45Å; F434-L446 HydrophobicContact CG-CD1 3.62Å; F434-L446 HydrophobicContact CG-CD2 3.98Å; F434-L446 HydrophobicContact CG-CG 3.62Å; F434-L446 HydrophobicContact CZ-CD1 3.85Å; A437-L446 HydrophobicContact CB-CD2 4.02Å; V438-L446 HydrophobicContact CG2-CB 3.79Å; V438-L446 HydrophobicContact CG2-CG 4.47Å; F442-L446 HydrophobicContact CB-CD2 4.37Å; A443-L446 WeakPolarHBondContact O-CB 3.12Å; A443-L446 PolarHBondContact O-N 3.49Å; R444-L446 PolarHBondContact O-N 3.22Å; R444-L446 VanDerWaalsContact O-N 3.14Å; L446-H448 VanDerWaalsContact C-N 3.31Å; L446-H448 PolarHBondContact O-N 2.94Å; L446-Y449 HydrophobicContact CD1-CD2 4.5Å; L446-Y449 PolarHBondContact O-N 3.49Å; L446-A450 PolarHBondContact O-N 3.27Å
447	L	86.5	Confident	87.7	Confident	21 Å²	21	43 Å²	43	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-67.7	-31.1	174.6	-173.1	60.7	0	0	0	111.8	V438 R444 E445 A450 K451 L505 L508 T509	V438-L447 HydrophobicContact CG1-CB 4.39Å; V438-L447 HydrophobicContact CG2-CB 4.12Å; R444-L447 WeakPolarHBondContact O-CA 3.43Å; R444-L447 WeakPolarHBondContact O-CB 3.35Å; R444-L447 PolarHBondContact O-N 2.71Å; E445-L447 PolarHBondContact O-N 3.13Å; L447-A450 HydrophobicContact CD1-CB 4.41Å; L447-A450 WeakPolarHBondContact O-CB 3.28Å; L447-A450 PolarHBondContact O-N 2.88Å; L447-K451 VanDerWaalsContact O-CG 3.28Å; L447-K451 WeakPolarHBondContact O-CG 3.34Å; L447-K451 PolarHBondContact O-N 3.31Å; L447-L505 HydrophobicContact CD1-CD2 4.15Å; L447-L508 HydrophobicContact CD1-CD2 4.22Å; L447-T509 HydrophobicContact CD1-CG2 4.47Å
448	H	91.3	Very high	88.1	Confident	122 Å²	122	44.8 Å²	44.8	57%	0.565	22%	0.217	S	C	*	.	H	α-helix	trans	-65.3	-45.9	173.7	-66.7	-64.4	0	0	0	110.6	E445 L446 A450 K451 D452	E445-H448 WeakPolarHBondContact O-CB 3.47Å; E445-H448 PolarHBondContact O-N 3.12Å; L446-H448 VanDerWaalsContact C-N 3.31Å; L446-H448 PolarHBondContact O-N 2.94Å; H448-A450 VanDerWaalsContact C-N 3.31Å; H448-A450 PolarHBondContact O-N 3.35Å; H448-K451 PolarHBondContact O-N 3.32Å; H448-D452 PolarHBondContact O-N 2.85Å
449	Y	97	Very high	88.9	Confident	84 Å²	84	44.7 Å²	44.7	33%	0.329	22%	0.217	S	C	.	.	H	α-helix	trans	-61.9	-39	174	-62.8	-79.8	0	0	0	112.1	L395 L399 L408 E445 L446 I453	L395-Y449 HydrophobicContact CD1-CE2 4.44Å; L395-Y449 HydrophobicContact CD2-CD1 3.52Å; L395-Y449 HydrophobicContact CD2-CD2 3.93Å; L395-Y449 HydrophobicContact CD2-CE1 3.48Å; L395-Y449 VanDerWaalsContact CD2-CE1 3.48Å; L395-Y449 HydrophobicContact CD2-CE2 3.89Å; L395-Y449 HydrophobicContact CD2-CG 3.75Å; L399-Y449 HydrophobicContact CD1-CD1 4.39Å; L408-Y449 HydrophobicContact CD2-CD1 3.65Å; L408-Y449 HydrophobicContact CD2-CG 4.48Å; E445-Y449 VanDerWaalsContact O-CD2 3.29Å; E445-Y449 WeakPolarHBondContact O-CD2 3.27Å; L446-Y449 HydrophobicContact CD1-CD2 4.5Å; L446-Y449 PolarHBondContact O-N 3.49Å; Y449-I453 WeakPolarHBondContact O-CB 3.14Å; Y449-I453 WeakPolarHBondContact O-CD1 3.33Å; Y449-I453 WeakPolarHBondContact O-CG1 3.5Å; Y449-I453 PolarHBondContact O-N 3.45Å
450	A	97.4	Very high	89.8	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59	-49.9	174.3	0	0	0	0	0	111.4	S431 F434 A435 L446 L447 H448 D452 I453 G454 L505	S431-A450 WeakPolarHBondContact O-CB 3.39Å; S431-A450 PolarHBondContact OG-O 2.81Å; F434-A450 HydrophobicContact CB-CB 3.75Å; A435-A450 HydrophobicContact CB-CB 4.39Å; L446-A450 PolarHBondContact O-N 3.27Å; L447-A450 HydrophobicContact CD1-CB 4.41Å; L447-A450 WeakPolarHBondContact O-CB 3.28Å; L447-A450 PolarHBondContact O-N 2.88Å; H448-A450 VanDerWaalsContact C-N 3.31Å; H448-A450 PolarHBondContact O-N 3.35Å; A450-D452 PolarHBondContact O-N 3.36Å; A450-I453 PolarHBondContact O-N 2.83Å; A450-G454 PolarHBondContact O-N 2.83Å; A450-L505 HydrophobicContact CB-CD2 3.89Å
451	K	98.2	Very high	90.9	Very high	63 Å²	63	41.4 Å²	41.4	27%	0.274	20%	0.202	S	C	.	.	H	α-helix	trans	-59.6	-48.4	178.3	-71.2	176.7	175.4	-170.7	0	112.1	L447 H448 I453 G454 E455 L505	L447-K451 VanDerWaalsContact O-CG 3.28Å; L447-K451 WeakPolarHBondContact O-CG 3.34Å; L447-K451 PolarHBondContact O-N 3.31Å; H448-K451 PolarHBondContact O-N 3.32Å; K451-I453 PolarHBondContact O-N 3.09Å; K451-G454 PolarHBondContact O-N 3.38Å; K451-G454 VanDerWaalsContact O-N 3.16Å; K451-E455 PolarHBondContact O-N 2.94Å; K451-L505 HydrophobicContact CG-CD2 4.01Å
452	D	98.4	Very high	92.1	Very high	40 Å²	40	44.1 Å²	44.1	21%	0.214	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-38.9	-178.7	-73.9	17.9	0	0	0	112.3	R401 L408 H448 A450 T456	R401-D452 IonicContact CZ-OD2 3.01Å; R401-D452 IonicContact NH1-OD2 3.01Å; R401-D452 PolarHBondContact NH1-OD2 2.61Å; R401-D452 VanDerWaalsContact NH1-OD2 3.11Å; R401-D452 IonicContact NH2-OD2 2.74Å; R401-D452 PolarHBondContact NH2-OD2 3.33Å; L408-D452 HydrophobicContact CB-CB 3.71Å; L408-D452 HydrophobicContact CD2-CB 3.81Å; L408-D452 HydrophobicContact CG-CB 4.43Å; H448-D452 PolarHBondContact O-N 2.85Å; A450-D452 PolarHBondContact O-N 3.36Å; D452-T456 PolarHBondContact O-N 3.27Å; D452-T456 PolarHBondContact O-OG1 3.09Å
453	I	98.5	Very high	93	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-70	-40.1	174.2	-64.2	167.9	0	0	0	110	L399 L408 M423 I430 F434 Y449 A450 K451 E455 T456 C457	L399-I453 HydrophobicContact CD1-CD1 4.24Å; L399-I453 HydrophobicContact CD2-CD1 3.87Å; L408-I453 HydrophobicContact CD2-CD1 4.4Å; L408-I453 HydrophobicContact CD2-CG1 3.91Å; L408-I453 HydrophobicContact CG-CG1 4.21Å; M423-I453 HydrophobicContact CE-CG2 4.42Å; I430-I453 HydrophobicContact CG2-CD1 3.87Å; I430-I453 HydrophobicContact CG2-CG2 4.06Å; F434-I453 HydrophobicContact CD2-CD1 4.39Å; F434-I453 HydrophobicContact CE2-CD1 4.14Å; Y449-I453 WeakPolarHBondContact O-CB 3.14Å; Y449-I453 WeakPolarHBondContact O-CD1 3.33Å; Y449-I453 WeakPolarHBondContact O-CG1 3.5Å; Y449-I453 PolarHBondContact O-N 3.45Å; A450-I453 PolarHBondContact O-N 2.83Å; K451-I453 PolarHBondContact O-N 3.09Å; I453-E455 VanDerWaalsContact C-N 3.3Å; I453-E455 PolarHBondContact O-N 3.39Å; I453-T456 CarbonylContact O-C 3.51Å; I453-T456 WeakPolarHBondContact O-CB 3.46Å; I453-T456 PolarHBondContact O-N 3.41Å; I453-T456 VanDerWaalsContact O-N 3.13Å; I453-C457 PolarHBondContact O-N 2.71Å; I453-C457 PolarHBondContact O-SG 3.15Å
454	G	98.4	Very high	94.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-38.5	175	0	0	0	0	0	113.3	A450 K451 C457 R458 W502	A450-G454 PolarHBondContact O-N 2.83Å; K451-G454 PolarHBondContact O-N 3.38Å; K451-G454 VanDerWaalsContact O-N 3.16Å; G454-C457 PolarHBondContact O-N 3.07Å; G454-R458 PolarHBondContact O-N 2.93Å; G454-W502 PolarHBondContact O-NE1 3Å
455	E	98.5	Very high	95.2	Very high	78 Å²	78	40 Å²	40	36%	0.364	20%	0.204	S	C	.	.	H	α-helix	trans	-67.7	-39.9	172.4	-77	176.9	-172.4	0	0	112	K451 I453 C457 R458 A459 K513 W517	K451-E455 PolarHBondContact O-N 2.94Å; I453-E455 VanDerWaalsContact C-N 3.3Å; I453-E455 PolarHBondContact O-N 3.39Å; E455-C457 VanDerWaalsContact C-N 3.35Å; E455-R458 WeakPolarHBondContact O-CB 3.42Å; E455-R458 PolarHBondContact O-N 3.43Å; E455-A459 PolarHBondContact O-N 2.91Å; E455-K513 IonicContact OE1-NZ 3.73Å; E455-K513 PolarHBondContact OE1-NZ 3.25Å; E455-W517 HydrophobicContact CG-CH2 3.59Å; E455-W517 HydrophobicContact CG-CZ2 4.34Å; E455-W517 HydrophobicContact CG-CZ3 4.42Å
456	T	98.6	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-42.8	173.8	-58.1	0	0	0	0	111.5	L407 L408 F409 D452 I453 R458 A459 M460 F475	L407-T456 HydrophobicContact CB-CG2 4.16Å; L407-T456 WeakPolarHBondContact CB-OG1 3.39Å; L408-T456 PolarHBondContact N-OG1 2.76Å; L408-T456 WeakPolarHBondContact O-CB 3.06Å; L408-T456 PolarHBondContact O-OG1 3.42Å; F409-T456 HydrophobicContact CB-CG2 3.91Å; D452-T456 PolarHBondContact O-N 3.27Å; D452-T456 PolarHBondContact O-OG1 3.09Å; I453-T456 CarbonylContact O-C 3.51Å; I453-T456 WeakPolarHBondContact O-CB 3.46Å; I453-T456 PolarHBondContact O-N 3.41Å; I453-T456 VanDerWaalsContact O-N 3.13Å; T456-R458 VanDerWaalsContact C-N 3.33Å; T456-R458 PolarHBondContact O-N 3.2Å; T456-A459 WeakPolarHBondContact O-CB 3.36Å; T456-A459 PolarHBondContact O-N 3.49Å; T456-A459 VanDerWaalsContact O-N 3.15Å; T456-M460 PolarHBondContact O-N 2.93Å; T456-M460 VanDerWaalsContact O-N 3.14Å; T456-F475 HydrophobicContact CG2-CD1 4.47Å; T456-F475 HydrophobicContact CG2-CE1 3.44Å; T456-F475 VanDerWaalsContact CG2-CE1 3.44Å; T456-F475 HydrophobicContact CG2-CZ 3.58Å
457	C	98.4	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-40.7	173.5	-69.2	0	0	0	0	111.2	C428 I453 G454 E455 A459 M460 Y461 A498	C428-C457 WeakPolarHBondContact CA-SG 3.49Å; C428-C457 HydrophobicContact CB-CB 4.04Å; C428-C457 WeakPolarHBondContact CB-SG 3.39Å; C428-C457 WeakPolarHBondContact SG-CB 3.23Å; C428-C457 CovalentContact SG-SG 2.04Å; C428-C457 PolarHBondContact SG-SG 3.49Å; I453-C457 PolarHBondContact O-N 2.71Å; I453-C457 PolarHBondContact O-SG 3.15Å; G454-C457 PolarHBondContact O-N 3.07Å; E455-C457 VanDerWaalsContact C-N 3.35Å; C457-A459 VanDerWaalsContact C-N 3.34Å; C457-A459 PolarHBondContact O-N 2.99Å; C457-M460 WeakPolarHBondContact O-CB 3.5Å; C457-M460 PolarHBondContact O-N 3.12Å; C457-Y461 WeakPolarHBondContact O-CD2 3.44Å; C457-A498 HydrophobicContact CB-CB 4.09Å
458	R	98.3	Very high	97.3	Very high	39 Å²	39	33.2 Å²	33.2	15%	0.147	18%	0.178	C	C	.	.	H	α-helix	trans	-60.1	-42.5	171.8	172.9	59.5	178	175.7	2.1	112.3	G454 E455 T456 M460 Y461 T462 W502 W517 D520	G454-R458 PolarHBondContact O-N 2.93Å; E455-R458 WeakPolarHBondContact O-CB 3.42Å; E455-R458 PolarHBondContact O-N 3.43Å; T456-R458 VanDerWaalsContact C-N 3.33Å; T456-R458 PolarHBondContact O-N 3.2Å; R458-M460 PolarHBondContact O-N 3.07Å; R458-Y461 PolarHBondContact O-N 3.15Å; R458-T462 HydrophobicContact CG-CG2 4.33Å; R458-T462 PolarHBondContact O-N 3.23Å; R458-T462 VanDerWaalsContact O-N 3.14Å; R458-T462 PolarHBondContact O-OG1 2.91Å; R458-W502 HydrophobicContact CB-CZ2 4.02Å; R458-W517 HydrophobicContact CB-CD2 4.06Å; R458-W517 HydrophobicContact CB-CE3 3.88Å; R458-W517 HydrophobicContact CB-CZ3 4.09Å; R458-W517 HydrophobicContact CG-CD2 3.8Å; R458-W517 HydrophobicContact CG-CE3 4.15Å; R458-W517 HydrophobicContact CG-CG 4.05Å; R458-W517 HydrophobicContact CG-CZ2 4.43Å; R458-D520 IonicContact CZ-OD2 2.65Å; R458-D520 IonicContact NH1-OD2 3.94Å; R458-D520 IonicContact NH2-OD2 3.58Å; R458-D520 PolarHBondContact NH2-OD2 3.44Å
459	A	98.1	Very high	97.6	Very high	12 Å²	12	27.5 Å²	27.5	10%	0.099	15%	0.153	C	C	.	.	H	α-helix	trans	-60.9	-31.4	177.9	0	0	0	0	0	112.8	L407 E455 T456 C457 Y461 T462 S463 L485	L407-A459 HydrophobicContact CD1-CB 3.48Å; L407-A459 VanDerWaalsContact CD1-CB 3.48Å; L407-A459 HydrophobicContact CD2-CB 4.47Å; E455-A459 PolarHBondContact O-N 2.91Å; T456-A459 WeakPolarHBondContact O-CB 3.36Å; T456-A459 PolarHBondContact O-N 3.49Å; T456-A459 VanDerWaalsContact O-N 3.15Å; C457-A459 VanDerWaalsContact C-N 3.34Å; C457-A459 PolarHBondContact O-N 2.99Å; A459-Y461 PolarHBondContact O-N 3.45Å; A459-T462 WeakPolarHBondContact CA-OG1 3.47Å; A459-T462 PolarHBondContact O-N 3.07Å; A459-S463 VanDerWaalsContact O-CB 3.29Å; A459-S463 WeakPolarHBondContact O-CB 3.3Å; A459-S463 PolarHBondContact O-N 3.05Å; A459-S463 PolarHBondContact O-OG 3.01Å; A459-L485 HydrophobicContact CB-CD2 3.87Å
460	M	98	Very high	97.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.5	-22.8	173.9	-67.8	179.5	63.6	0	0	113.1	H425 T456 C457 R458 N464 P470 A473 F475	H425-M460 HydrophobicContact CB-CE 4.35Å; T456-M460 PolarHBondContact O-N 2.93Å; T456-M460 VanDerWaalsContact O-N 3.14Å; C457-M460 WeakPolarHBondContact O-CB 3.5Å; C457-M460 PolarHBondContact O-N 3.12Å; R458-M460 PolarHBondContact O-N 3.07Å; M460-N464 PolarHBondContact O-ND2 2.86Å; M460-P470 HydrophobicContact CE-CG 4.2Å; M460-P470 WeakPolarHBondContact O-CD 2.96Å; M460-A473 HydrophobicContact CE-CB 4.07Å; M460-F475 HydrophobicContact CG-CZ 4.24Å
461	Y	98.1	Very high	97.7	Very high	6 Å²	6	24.5 Å²	24.5	2%	0.024	14%	0.142	C	C	.	.	H	α-helix	trans	-92	-48.3	175.2	-66.6	-102.7	0	0	0	111.5	H425 C457 R458 A459 S463 N464 G467 G469 A498 W502 L521	H425-Y461 PolarHBondContact CE1-OH 3.36Å; H425-Y461 AromaticContact NE2-CE2 3.7Å; H425-Y461 AromaticContact NE2-CZ 3.4Å; H425-Y461 PolarHBondContact NE2-OH 3.33Å; C457-Y461 WeakPolarHBondContact O-CD2 3.44Å; R458-Y461 PolarHBondContact O-N 3.15Å; A459-Y461 PolarHBondContact O-N 3.45Å; Y461-S463 VanDerWaalsContact C-N 3.25Å; Y461-S463 PolarHBondContact O-N 3.2Å; Y461-N464 PolarHBondContact O-N 3.4Å; Y461-G467 WeakPolarHBondContact CD1-O 2.98Å; Y461-G469 VanDerWaalsContact CE1-N 3.29Å; Y461-A498 HydrophobicContact CE2-CB 3.59Å; Y461-A498 WeakPolarHBondContact OH-CB 3.39Å; Y461-W502 HydrophobicContact CD2-CH2 4.01Å; Y461-W502 HydrophobicContact CD2-CZ2 4.3Å; Y461-W502 AromaticContact CE2-CH2 3.86Å; Y461-W502 HydrophobicContact CE2-CH2 3.86Å; Y461-W502 HydrophobicContact CE2-CZ2 4.17Å; Y461-L521 HydrophobicContact CD1-CD1 3.79Å; Y461-L521 HydrophobicContact CE1-CD1 3.42Å; Y461-L521 VanDerWaalsContact CE1-CD1 3.42Å; Y461-L521 HydrophobicContact CE1-CD2 3.99Å; Y461-L521 HydrophobicContact CE1-CG 4.26Å
462	T	96.7	Very high	97.6	Very high	79 Å²	79	22.6 Å²	22.6	49%	0.485	13%	0.134	S	C	.	.	H	α-helix	trans	-71.9	-18.4	-173.5	56.1	0	0	0	0	113.9	R458 A459 N464	R458-T462 HydrophobicContact CG-CG2 4.33Å; R458-T462 PolarHBondContact O-N 3.23Å; R458-T462 VanDerWaalsContact O-N 3.14Å; R458-T462 PolarHBondContact O-OG1 2.91Å; A459-T462 WeakPolarHBondContact CA-OG1 3.47Å; A459-T462 PolarHBondContact O-N 3.07Å; T462-N464 PolarHBondContact O-N 2.76Å
463	S	94.3	Very high	97.6	Very high	61 Å²	61	20.7 Å²	20.7	43%	0.427	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.9	175	-54.3	0	0	0	0	113	A459 Y461	A459-S463 VanDerWaalsContact O-CB 3.29Å; A459-S463 WeakPolarHBondContact O-CB 3.3Å; A459-S463 PolarHBondContact O-N 3.05Å; A459-S463 PolarHBondContact O-OG 3.01Å; Y461-S463 VanDerWaalsContact C-N 3.25Å; Y461-S463 PolarHBondContact O-N 3.2Å
464	N	96.1	Very high	97.6	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.043	14%	0.143	C	C	.	.	S	Bend	trans	-106.6	139.2	-176.5	-53.9	-35.5	0	0	0	111.1	M460 Y461 T462 T466 G467 L468 P470 P487 V541 M542	M460-N464 PolarHBondContact O-ND2 2.86Å; Y461-N464 PolarHBondContact O-N 3.4Å; T462-N464 PolarHBondContact O-N 2.76Å; N464-T466 PolarHBondContact O-N 2.76Å; N464-T466 VanDerWaalsContact O-N 3.07Å; N464-G467 PolarHBondContact O-N 2.92Å; N464-L468 PolarHBondContact ND2-O 3.34Å; N464-P470 WeakPolarHBondContact ND2-CD 3.48Å; N464-P487 WeakPolarHBondContact OD1-CG 3.34Å; N464-V541 HydrophobicContact CB-CB 3.99Å; N464-V541 HydrophobicContact CB-CG2 3.91Å; N464-V541 VanDerWaalsContact CG-CG2 3.47Å; N464-V541 WeakPolarHBondContact ND2-CG2 3.27Å; N464-M542 HydrophobicContact CB-SD 4.18Å; N464-M542 PolarHBondContact OD1-SD 2.74Å
465	P	96.7	Very high	97.6	Very high	77 Å²	77	25.8 Å²	25.8	50%	0.5	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.3	177.3	-27.7	33.3	0	0	0	114.9	I544	P465-I544 HydrophobicContact CB-CD1 3.98Å; P465-I544 HydrophobicContact CB-CG1 4.49Å
466	T	97.7	Very high	97.5	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.025	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.2	-179	54.9	0	0	0	0	114	N464 L468 A524 H528 V541 I544 T546	N464-T466 PolarHBondContact O-N 2.76Å; N464-T466 VanDerWaalsContact O-N 3.07Å; T466-L468 PolarHBondContact O-N 3.45Å; T466-L468 PolarHBondContact OG1-N 3.06Å; T466-A524 WeakPolarHBondContact O-CB 3.48Å; T466-H528 PolarHBondContact O-CD2 3.03Å; T466-V541 WeakPolarHBondContact CB-O 3.28Å; T466-V541 WeakPolarHBondContact CG2-O 3.5Å; T466-V541 PolarHBondContact N-O 2.94Å; T466-V541 VanDerWaalsContact OG1-CA 3.3Å; T466-V541 WeakPolarHBondContact OG1-CA 3.34Å; T466-V541 WeakPolarHBondContact OG1-CB 3.28Å; T466-V541 PolarHBondContact OG1-O 3.3Å; T466-I544 HydrophobicContact CG2-CD1 4.45Å; T466-I544 HydrophobicContact CG2-CG1 3.91Å; T466-T546 HydrophobicContact CG2-CG2 3.49Å; T466-T546 VanDerWaalsContact CG2-CG2 3.49Å
467	G	97.5	Very high	97.4	Very high	24 Å²	24	26.2 Å²	26.2	25%	0.247	15%	0.147	C	C	.	.	S	Bend	trans	67.9	11.2	-170.2	0	0	0	0	0	114.4	Y461 N464	Y461-G467 WeakPolarHBondContact CD1-O 2.98Å; N464-G467 PolarHBondContact O-N 2.92Å
468	L	98.1	Very high	97.3	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-99.7	149	174.9	-64.4	176.5	0	0	0	110.6	N464 T466 L494 L521 A524 I525 H528 V538 V541	N464-L468 PolarHBondContact ND2-O 3.34Å; T466-L468 PolarHBondContact O-N 3.45Å; T466-L468 PolarHBondContact OG1-N 3.06Å; L468-L494 HydrophobicContact CD1-CD2 4.19Å; L468-L494 HydrophobicContact CD2-CD2 4.02Å; L468-L521 HydrophobicContact CD2-CD1 4Å; L468-A524 HydrophobicContact CD2-CB 3.79Å; L468-A524 HydrophobicContact CG-CB 4.21Å; L468-I525 HydrophobicContact CD2-CG1 3.89Å; L468-H528 HydrophobicContact CD1-CB 4.04Å; L468-V538 HydrophobicContact CD1-CB 4.25Å; L468-V538 HydrophobicContact CD1-CG2 3.76Å; L468-V541 HydrophobicContact CB-CG1 3.8Å; L468-V541 WeakPolarHBondContact O-CG1 3.36Å
469	G	97	Very high	97.1	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.021	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-81.3	138.9	178.5	0	0	0	0	0	112.1	Y461 S492	Y461-G469 VanDerWaalsContact CE1-N 3.29Å; G469-S492 WeakPolarHBondContact O-CB 3.36Å; G469-S492 PolarHBondContact O-OG 2.8Å
470	P	97.9	Very high	97	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-77.5	160.8	173.6	35.3	-31.7	0	0	0	110	M460 N464 A473 P487 D489 V541	M460-P470 HydrophobicContact CE-CG 4.2Å; M460-P470 WeakPolarHBondContact O-CD 2.96Å; N464-P470 WeakPolarHBondContact ND2-CD 3.48Å; P470-A473 HydrophobicContact CG-CB 4.42Å; P470-P487 HydrophobicContact CB-CB 4.04Å; P470-P487 HydrophobicContact CG-CB 4.23Å; P470-P487 HydrophobicContact CG-CG 4.45Å; P470-D489 WeakPolarHBondContact CB-O 3.23Å; P470-V541 HydrophobicContact CB-CG2 4.03Å
471	E	97.3	Very high	96.7	Very high	20 Å²	20	40.6 Å²	40.6	9%	0.093	23%	0.23	C	C	.	.	S	Bend	trans	-65.2	-39.6	176.3	-177.1	64	-168.6	0	0	112	H425 D489 H491 R495	H425-E471 PolarHBondContact N-O 3.47Å; E471-D489 HydrophobicContact CB-CB 3.86Å; E471-D489 HydrophobicContact CG-CB 4.4Å; E471-D489 PolarHBondContact N-O 3.39Å; E471-H491 PolarHBondContact N-O 2.93Å; E471-R495 VanDerWaalsContact CD-NE 3.27Å; E471-R495 IonicContact OE1-CZ 3.85Å; E471-R495 VanDerWaalsContact OE1-CZ 3.26Å; E471-R495 IonicContact OE1-NE 3.59Å; E471-R495 PolarHBondContact OE1-NE 3.18Å; E471-R495 IonicContact OE1-NH2 3.05Å; E471-R495 PolarHBondContact OE1-NH2 3.35Å; E471-R495 IonicContact OE2-CZ 2.69Å; E471-R495 IonicContact OE2-NE 2.75Å; E471-R495 PolarHBondContact OE2-NE 3.28Å; E471-R495 IonicContact OE2-NH2 3.83Å
472	I	97.9	Very high	96.4	Very high	23 Å²	23	46.7 Å²	46.7	12%	0.118	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.9	-179.8	-57	176.5	0	0	0	109.3	K422 A488 D489	K422-I472 HydrophobicContact CD-CG2 4.12Å; K422-I472 HydrophobicContact CG-CG2 3.64Å; I472-A488 HydrophobicContact CB-CB 4.16Å; I472-A488 HydrophobicContact CG2-CB 3.9Å; I472-A488 PolarHBondContact O-N 3.07Å; I472-D489 HydrophobicContact CB-CB 3.96Å; I472-D489 HydrophobicContact CD1-CB 4.22Å; I472-D489 WeakPolarHBondContact CD1-OD2 3.23Å; I472-D489 HydrophobicContact CG1-CB 4.04Å; I472-D489 PolarHBondContact O-N 3.23Å
473	A	97.7	Very high	96.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.3	170.4	0	0	0	0	0	112	M423 M460 P470 F475 L485 F486	M423-A473 PolarHBondContact N-O 3.05Å; M423-A473 PolarHBondContact O-N 2.79Å; M460-A473 HydrophobicContact CE-CB 4.07Å; P470-A473 HydrophobicContact CG-CB 4.42Å; A473-F475 HydrophobicContact CB-CE2 4.11Å; A473-L485 HydrophobicContact CB-CD1 4.39Å; A473-F486 WeakPolarHBondContact CA-O 3.37Å
474	Y	97.8	Very high	96.4	Very high	102 Å²	102	46.8 Å²	46.8	40%	0.4	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.7	165.7	-79.7	-84	0	0	0	110.3	P421 K422 L485 F486 A488	P421-Y474 HydrophobicContact CG-CD1 4.45Å; P421-Y474 CarbonylContact O-C 3.59Å; P421-Y474 VanDerWaalsContact O-CA 3.3Å; P421-Y474 WeakPolarHBondContact O-CA 3.23Å; K422-Y474 HydrophobicContact CB-CD1 4.1Å; K422-Y474 HydrophobicContact CB-CE1 3.71Å; K422-Y474 HydrophobicContact CG-CE1 4.41Å; Y474-L485 CarbonylContact O-C 3.5Å; Y474-L485 VanDerWaalsContact O-CA 3.22Å; Y474-L485 WeakPolarHBondContact O-CA 3.35Å; Y474-F486 PolarHBondContact N-O 2.96Å; Y474-F486 PolarHBondContact O-N 3.45Å; Y474-A488 HydrophobicContact CD2-CB 3.5Å; Y474-A488 VanDerWaalsContact CD2-CB 3.5Å; Y474-A488 HydrophobicContact CE2-CB 3.58Å
475	F	98.2	Very high	96.3	Very high	5 Å²	5	47 Å²	47	2%	0.022	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.5	178.9	-71.7	-94.8	0	0	0	111	F409 P421 M423 T456 M460 A473 D484 L485	F409-F475 HydrophobicContact CB-CD1 3.81Å; F409-F475 HydrophobicContact CB-CD2 3.74Å; F409-F475 HydrophobicContact CB-CE1 3.87Å; F409-F475 HydrophobicContact CB-CE2 3.84Å; F409-F475 HydrophobicContact CB-CG 3.74Å; F409-F475 HydrophobicContact CB-CZ 3.88Å; F409-F475 HydrophobicContact CD1-CB 3.46Å; F409-F475 VanDerWaalsContact CD1-CB 3.46Å; F409-F475 AromaticContact CD1-CD1 3.68Å; F409-F475 HydrophobicContact CD1-CD1 3.68Å; F409-F475 HydrophobicContact CD1-CD2 4.24Å; F409-F475 AromaticContact CD1-CG 3.5Å; F409-F475 HydrophobicContact CD1-CG 3.5Å; F409-F475 VanDerWaalsContact CD1-CG 3.5Å; F409-F475 HydrophobicContact CD2-CB 3.93Å; F409-F475 AromaticContact CD2-CD2 3.83Å; F409-F475 HydrophobicContact CD2-CD2 3.83Å; F409-F475 AromaticContact CD2-CG 3.88Å; F409-F475 HydrophobicContact CD2-CG 3.88Å; F409-F475 HydrophobicContact CE1-CB 3.41Å; F409-F475 VanDerWaalsContact CE1-CB 3.41Å; F409-F475 HydrophobicContact CE1-CD1 4.44Å; F409-F475 HydrophobicContact CE1-CG 4.02Å; F409-F475 HydrophobicContact CE2-CB 3.91Å; F409-F475 HydrophobicContact CE2-CG 4.37Å; F409-F475 HydrophobicContact CG-CB 3.72Å; F409-F475 AromaticContact CG-CD1 3.82Å; F409-F475 HydrophobicContact CG-CD1 3.82Å; F409-F475 AromaticContact CG-CD2 3.67Å; F409-F475 HydrophobicContact CG-CD2 3.67Å; F409-F475 HydrophobicContact CG-CE1 4.39Å; F409-F475 HydrophobicContact CG-CE2 4.29Å; F409-F475 AromaticContact CG-CG 3.41Å; F409-F475 HydrophobicContact CG-CG 3.41Å; F409-F475 VanDerWaalsContact CG-CG 3.41Å; F409-F475 HydrophobicContact CZ-CB 3.65Å; F409-F475 HydrophobicContact CZ-CG 4.43Å; P421-F475 HydrophobicContact CB-CB 4.44Å; P421-F475 VanDerWaalsContact CB-O 3.29Å; P421-F475 WeakPolarHBondContact CB-O 3.3Å; P421-F475 PolarHBondContact O-N 2.78Å; M423-F475 HydrophobicContact CB-CD2 4.18Å; M423-F475 HydrophobicContact CB-CE2 3.69Å; M423-F475 HydrophobicContact SD-CE2 4.2Å; M423-F475 HydrophobicContact SD-CZ 4.43Å; T456-F475 HydrophobicContact CG2-CD1 4.47Å; T456-F475 HydrophobicContact CG2-CE1 3.44Å; T456-F475 VanDerWaalsContact CG2-CE1 3.44Å; T456-F475 HydrophobicContact CG2-CZ 3.58Å; M460-F475 HydrophobicContact CG-CZ 4.24Å; A473-F475 HydrophobicContact CB-CE2 4.11Å; F475-D484 CarbonylContact C-O 3.59Å; F475-D484 WeakPolarHBondContact CA-O 3.32Å; F475-L485 HydrophobicContact CD1-CB 3.92Å; F475-L485 HydrophobicContact CE1-CB 3.87Å; F475-L485 HydrophobicContact CE1-CD2 3.89Å; F475-L485 HydrophobicContact CG-CB 4.43Å; F475-L485 HydrophobicContact CZ-CB 4.33Å; F475-L485 HydrophobicContact CZ-CD2 4.31Å
476	N	97.7	Very high	96.3	Very high	16 Å²	16	47.7 Å²	47.7	9%	0.086	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-71.9	131.2	176.7	176.8	40.6	0	0	0	110.5	S402 E403 N478 V481 H483 D484 F486	S402-N476 CarbonylContact C-O 3.47Å; S402-N476 WeakPolarHBondContact CA-O 3.4Å; S402-N476 WeakPolarHBondContact CB-O 3.35Å; E403-N476 PolarHBondContact N-O 2.74Å; E403-N476 PolarHBondContact O-ND2 2.94Å; N476-N478 PolarHBondContact ND2-O 2.88Å; N476-N478 WeakPolarHBondContact OD1-CB 3.48Å; N476-N478 PolarHBondContact OD1-N 3.24Å; N476-N478 PolarHBondContact OD1-O 3.27Å; N476-V481 WeakPolarHBondContact ND2-CB 3.45Å; N476-V481 PolarHBondContact ND2-O 3.25Å; N476-H483 WeakPolarHBondContact CB-O 3.44Å; N476-H483 PolarHBondContact ND2-O 3.17Å; N476-D484 PolarHBondContact N-O 3.23Å; N476-F486 HydrophobicContact CB-CE2 4.05Å
477	Q	96.3	Very high	96	Very high	71 Å²	71	48.9 Å²	48.9	33%	0.332	25%	0.251	S	S	.	.			trans	-118.1	6.8	171.1	-53.8	-157.4	-92.1	0	0	112.4	R401 F409 P421	R401-Q477 PolarHBondContact O-NE2 3.17Å; F409-Q477 HydrophobicContact CE1-CG 4.38Å; F409-Q477 HydrophobicContact CZ-CG 4.06Å; P421-Q477 HydrophobicContact CB-CG 4.34Å
478	N	96.2	Very high	95.7	Very high	72 Å²	72	49.6 Å²	49.6	39%	0.385	26%	0.255	S	S	.	.			trans	-93.6	117.4	177.7	-176.8	-8.7	0	0	0	109.7	N476 L480 V481	N476-N478 PolarHBondContact ND2-O 2.88Å; N476-N478 WeakPolarHBondContact OD1-CB 3.48Å; N476-N478 PolarHBondContact OD1-N 3.24Å; N476-N478 PolarHBondContact OD1-O 3.27Å; N478-L480 PolarHBondContact O-N 3.31Å; N478-L480 VanDerWaalsContact O-N 3.08Å; N478-L480 WeakPolarHBondContact OD1-CB 3.32Å; N478-L480 WeakPolarHBondContact OD1-CG 3.26Å; N478-L480 PolarHBondContact OD1-N 3.45Å; N478-V481 HydrophobicContact CB-CG2 4.2Å; N478-V481 PolarHBondContact O-N 3.45Å
479	P	94.4	Very high	95.6	Very high	85 Å²	85	53 Å²	53	55%	0.552	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.5	-179.1	27.2	-35.8	0	0	0	113.8	E403 V481	E403-P479 HydrophobicContact CG-CB 4.35Å; P479-V481 VanDerWaalsContact C-N 3.34Å
480	L	95.3	Very high	95.5	Very high	148 Å²	148	56.2 Å²	56.2	78%	0.775	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-18.1	175.4	-59	177.8	0	0	0	113.1	N478	N478-L480 PolarHBondContact O-N 3.31Å; N478-L480 VanDerWaalsContact O-N 3.08Å; N478-L480 WeakPolarHBondContact OD1-CB 3.32Å; N478-L480 WeakPolarHBondContact OD1-CG 3.26Å; N478-L480 PolarHBondContact OD1-N 3.45Å
481	V	92.8	Very high	95.5	Very high	48 Å²	48	57.4 Å²	57.4	29%	0.291	29%	0.293	S	S	.	.			trans	-95.9	124.5	-179	174.1	0	0	0	0	108.7	N476 N478 P479 H483 F486	N476-V481 WeakPolarHBondContact ND2-CB 3.45Å; N476-V481 PolarHBondContact ND2-O 3.25Å; N478-V481 HydrophobicContact CB-CG2 4.2Å; N478-V481 PolarHBondContact O-N 3.45Å; P479-V481 VanDerWaalsContact C-N 3.34Å; V481-H483 VanDerWaalsContact C-N 3.28Å; V481-H483 PolarHBondContact O-N 3.03Å; V481-F486 HydrophobicContact CG1-CE2 4.34Å; V481-F486 HydrophobicContact CG1-CZ 3.82Å
482	Q	91.9	Very high	95.5	Very high	133 Å²	133	56.8 Å²	56.8	62%	0.621	29%	0.291	S	S	*	.			trans	-89.6	27.2	-173.2	-63	-63	-38.4	0	0	113.7
483	H	93.4	Very high	95.5	Very high	123 Å²	123	56.7 Å²	56.7	57%	0.569	29%	0.291	S	S	*	.			trans	-137.9	128.2	-179.6	-67.2	78.2	0	0	0	109.4	E403 N476 V481 F486	E403-H483 CarbonylContact O-C 3.55Å; N476-H483 WeakPolarHBondContact CB-O 3.44Å; N476-H483 PolarHBondContact ND2-O 3.17Å; V481-H483 VanDerWaalsContact C-N 3.28Å; V481-H483 PolarHBondContact O-N 3.03Å; H483-F486 HydrophobicContact CB-CE1 4.04Å; H483-F486 HydrophobicContact CB-CZ 3.91Å
484	D	96.1	Very high	95.5	Very high	19 Å²	19	57.1 Å²	57.1	10%	0.102	29%	0.293	C	S	.	.	S	Bend	trans	-73	-35.8	-175	-75.9	-88.3	0	0	0	114.7	S402 E403 P404 S405 L407 F475 N476	S402-D484 WeakPolarHBondContact CB-OD1 3.47Å; S402-D484 PolarHBondContact OG-OD1 2.86Å; E403-D484 VanDerWaalsContact C-OD1 3.31Å; E403-D484 VanDerWaalsContact O-CA 3.27Å; E403-D484 WeakPolarHBondContact O-CA 3.34Å; P404-D484 WeakPolarHBondContact CD-OD2 3.28Å; S405-D484 WeakPolarHBondContact CA-OD1 3.44Å; S405-D484 WeakPolarHBondContact CB-OD1 3.47Å; S405-D484 WeakPolarHBondContact CB-OD2 3.36Å; S405-D484 PolarHBondContact N-OD1 2.79Å; S405-D484 PolarHBondContact N-OD2 2.88Å; S405-D484 PolarHBondContact OG-OD2 2.87Å; L407-D484 HydrophobicContact CD1-CB 3.82Å; L407-D484 HydrophobicContact CG-CB 4.47Å; F475-D484 CarbonylContact C-O 3.59Å; F475-D484 WeakPolarHBondContact CA-O 3.32Å; N476-D484 PolarHBondContact N-O 3.23Å
485	L	95.5	Very high	95.4	Very high	12 Å²	12	54.3 Å²	54.3	6%	0.063	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	152.7	-174	69.3	95.9	0	0	0	112.9	L407 A459 A473 Y474 F475	L407-L485 HydrophobicContact CD1-CD2 4.26Å; A459-L485 HydrophobicContact CB-CD2 3.87Å; A473-L485 HydrophobicContact CB-CD1 4.39Å; Y474-L485 CarbonylContact O-C 3.5Å; Y474-L485 VanDerWaalsContact O-CA 3.22Å; Y474-L485 WeakPolarHBondContact O-CA 3.35Å; F475-L485 HydrophobicContact CD1-CB 3.92Å; F475-L485 HydrophobicContact CE1-CB 3.87Å; F475-L485 HydrophobicContact CE1-CD2 3.89Å; F475-L485 HydrophobicContact CG-CB 4.43Å; F475-L485 HydrophobicContact CZ-CB 4.33Å; F475-L485 HydrophobicContact CZ-CD2 4.31Å
486	F	95	Very high	95.4	Very high	92 Å²	92	54.1 Å²	54.1	40%	0.404	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.4	178.8	-55.7	-81.2	0	0	0	109.4	A473 Y474 N476 V481 H483 A488	A473-F486 WeakPolarHBondContact CA-O 3.37Å; Y474-F486 PolarHBondContact N-O 2.96Å; Y474-F486 PolarHBondContact O-N 3.45Å; N476-F486 HydrophobicContact CB-CE2 4.05Å; V481-F486 HydrophobicContact CG1-CE2 4.34Å; V481-F486 HydrophobicContact CG1-CZ 3.82Å; H483-F486 HydrophobicContact CB-CE1 4.04Å; H483-F486 HydrophobicContact CB-CZ 3.91Å; F486-A488 PolarHBondContact O-N 2.64Å
487	P	91.6	Very high	95.5	Very high	29 Å²	29	54.3 Å²	54.3	19%	0.188	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	130.3	169.8	-26.8	37.4	0	0	0	110.9	N464 P470 E490 M542	N464-P487 WeakPolarHBondContact OD1-CG 3.34Å; P470-P487 HydrophobicContact CB-CB 4.04Å; P470-P487 HydrophobicContact CG-CB 4.23Å; P470-P487 HydrophobicContact CG-CG 4.45Å; P487-E490 HydrophobicContact CB-CG 4.02Å; P487-M542 HydrophobicContact CG-CG 4.33Å; P487-M542 HydrophobicContact CG-SD 3.91Å
488	A	91.6	Very high	95.6	Very high	39 Å²	39	50.9 Å²	50.9	32%	0.322	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-62.5	177.7	0	0	0	0	0	110	I472 Y474 F486 E490	I472-A488 HydrophobicContact CB-CB 4.16Å; I472-A488 HydrophobicContact CG2-CB 3.9Å; I472-A488 PolarHBondContact O-N 3.07Å; Y474-A488 HydrophobicContact CD2-CB 3.5Å; Y474-A488 VanDerWaalsContact CD2-CB 3.5Å; Y474-A488 HydrophobicContact CE2-CB 3.58Å; F486-A488 PolarHBondContact O-N 2.64Å; A488-E490 PolarHBondContact O-N 3.29Å
489	D	95	Very high	95.7	Very high	72 Å²	72	47.5 Å²	47.5	39%	0.385	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	89	169.1	-79.9	5.1	0	0	0	107.4	P470 E471 I472 H491	P470-D489 WeakPolarHBondContact CB-O 3.23Å; E471-D489 HydrophobicContact CB-CB 3.86Å; E471-D489 HydrophobicContact CG-CB 4.4Å; E471-D489 PolarHBondContact N-O 3.39Å; I472-D489 HydrophobicContact CB-CB 3.96Å; I472-D489 HydrophobicContact CD1-CB 4.22Å; I472-D489 WeakPolarHBondContact CD1-OD2 3.23Å; I472-D489 HydrophobicContact CG1-CB 4.04Å; I472-D489 PolarHBondContact O-N 3.23Å; D489-H491 PolarHBondContact O-N 3.44Å; D489-H491 IonicContact OD2-CE1 3.24Å
490	E	96	Very high	95.8	Very high	71 Å²	71	44.1 Å²	44.1	33%	0.332	22%	0.224	S	C	.	.			trans	-65.1	-8.3	-171.6	-59.2	-177.1	169.1	0	0	114.7	P487 A488 S540 V541 M542	P487-E490 HydrophobicContact CB-CG 4.02Å; A488-E490 PolarHBondContact O-N 3.29Å; E490-S540 CarbonylContact O-C 3.54Å; E490-S540 VanDerWaalsContact O-CA 3.26Å; E490-S540 WeakPolarHBondContact O-CA 3.44Å; E490-S540 WeakPolarHBondContact OE2-CB 3.3Å; E490-S540 PolarHBondContact OE2-OG 3.03Å; E490-V541 WeakPolarHBondContact O-CG1 3.42Å; E490-V541 WeakPolarHBondContact O-CG2 3.48Å; E490-V541 PolarHBondContact O-N 3.44Å; E490-M542 HydrophobicContact CG-CG 4.32Å
491	H	97.5	Very high	96	Very high	26 Å²	26	37 Å²	37	12%	0.12	19%	0.187	C	C	.	.			trans	-74.6	149.3	-179.3	66.8	-84.4	0	0	0	111.2	E471 D489 V538 A539 R549	E471-H491 PolarHBondContact N-O 2.93Å; D489-H491 PolarHBondContact O-N 3.44Å; D489-H491 IonicContact OD2-CE1 3.24Å; H491-V538 CarbonylContact C-O 3.19Å; H491-V538 WeakPolarHBondContact CA-O 3.46Å; H491-V538 WeakPolarHBondContact CB-O 3.38Å; H491-A539 WeakPolarHBondContact CB-O 3.34Å; H491-R549 PolarHBondContact CD2-NH1 3.09Å; H491-R549 VanDerWaalsContact CG-NH1 3.3Å; H491-R549 PolarHBondContact ND1-NH2 2.52Å; H491-R549 PolarHBondContact NE2-NH1 2.87Å
492	S	97.4	Very high	96.2	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.042	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-116.9	119.7	175.1	-165.6	0	0	0	0	109.9	G469 L494 S537 V538	G469-S492 WeakPolarHBondContact O-CB 3.36Å; G469-S492 PolarHBondContact O-OG 2.8Å; S492-L494 VanDerWaalsContact C-N 3.26Å; S492-L494 PolarHBondContact OG-N 3.36Å; S492-S537 CarbonylContact O-C 3.59Å; S492-S537 WeakPolarHBondContact O-CA 3.45Å; S492-V538 PolarHBondContact N-O 3.29Å; S492-V538 PolarHBondContact O-N 2.89Å
493	L	97.1	Very high	96.5	Very high	22 Å²	22	28.8 Å²	28.8	12%	0.115	15%	0.145	C	C	.	.			trans	-88	4	171.6	-54.3	-178	0	0	0	112.3	R495 S537 E553 F555	L493-R495 HydrophobicContact CB-CG 4.19Å; L493-S537 WeakPolarHBondContact CD2-OG 3.32Å; L493-E553 HydrophobicContact CB-CG 4.37Å; L493-F555 HydrophobicContact CB-CE2 4.42Å; L493-F555 HydrophobicContact CB-CZ 3.89Å; L493-F555 WeakPolarHBondContact O-CE2 3.07Å
494	L	97.7	Very high	96.6	Very high	9 Å²	9	23.8 Å²	23.8	5%	0.047	12%	0.121	C	C	.	.			trans	62.5	43.7	-178.4	-44.9	179.5	0	0	0	113.2	L468 S492 I525 A529 L556 T560	L468-L494 HydrophobicContact CD1-CD2 4.19Å; L468-L494 HydrophobicContact CD2-CD2 4.02Å; S492-L494 VanDerWaalsContact C-N 3.26Å; S492-L494 PolarHBondContact OG-N 3.36Å; L494-I525 HydrophobicContact CD1-CG2 4.43Å; L494-I525 HydrophobicContact CD2-CG1 4.23Å; L494-A529 HydrophobicContact CD1-CB 3.82Å; L494-A529 HydrophobicContact CD2-CB 4.2Å; L494-L556 HydrophobicContact CB-CD1 3.97Å; L494-L556 HydrophobicContact CD1-CD1 3.97Å; L494-L556 HydrophobicContact CD1-CD2 4.09Å; L494-T560 PolarHBondContact O-OG1 3.23Å
495	R	97.5	Very high	96.6	Very high	43 Å²	43	22.9 Å²	22.9	16%	0.162	12%	0.117	C	C	.	.			trans	-69.8	154.3	-173.9	-63.5	-173.4	175.6	-79.8	3.5	114.1	E471 L493 E497 F555	E471-R495 VanDerWaalsContact CD-NE 3.27Å; E471-R495 IonicContact OE1-CZ 3.85Å; E471-R495 VanDerWaalsContact OE1-CZ 3.26Å; E471-R495 IonicContact OE1-NE 3.59Å; E471-R495 PolarHBondContact OE1-NE 3.18Å; E471-R495 IonicContact OE1-NH2 3.05Å; E471-R495 PolarHBondContact OE1-NH2 3.35Å; E471-R495 IonicContact OE2-CZ 2.69Å; E471-R495 IonicContact OE2-NE 2.75Å; E471-R495 PolarHBondContact OE2-NE 3.28Å; E471-R495 IonicContact OE2-NH2 3.83Å; L493-R495 HydrophobicContact CB-CG 4.19Å; R495-E497 WeakPolarHBondContact CB-OE2 3.43Å; R495-F555 HydrophobicContact CB-CE2 4.4Å; R495-F555 HydrophobicContact CG-CE2 4.01Å; R495-F555 HydrophobicContact CG-CZ 4.11Å
496	P	98	Very high	96.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.115	C	C	.	.	S	Bend	trans	-86.5	-17.7	-172.9	33.3	-38.5	0	0	0	115.5	A498 V499 E500 E559 Y563	P496-A498 VanDerWaalsContact C-N 3.29Å; P496-A498 PolarHBondContact O-N 3.46Å; P496-A498 VanDerWaalsContact O-N 3.11Å; P496-V499 CarbonylContact O-C 3.44Å; P496-V499 WeakPolarHBondContact O-CA 3.44Å; P496-V499 WeakPolarHBondContact O-CB 3.49Å; P496-V499 PolarHBondContact O-N 3.17Å; P496-E500 PolarHBondContact O-N 2.75Å; P496-E559 HydrophobicContact CB-CB 3.67Å; P496-E559 HydrophobicContact CG-CB 3.63Å; P496-E559 HydrophobicContact CG-CG 4.47Å; P496-E559 WeakPolarHBondContact CG-OE2 3.39Å; P496-Y563 HydrophobicContact CB-CD2 4.01Å; P496-Y563 HydrophobicContact CB-CE2 4.45Å
497	E	98.2	Very high	96.2	Very high	19 Å²	19	19.3 Å²	19.3	9%	0.089	10%	0.1	C	C	.	.	H	α-helix	trans	-63.7	-31.2	-157.9	-60	79.7	-153	0	0	114.1	H425 L426 C428 F429 R495 A501	H425-E497 IonicContact CE1-OE2 3.94Å; H425-E497 PolarHBondContact CE1-OE2 3.1Å; H425-E497 IonicContact CG-OE2 3.41Å; H425-E497 IonicContact ND1-OE2 2.88Å; H425-E497 PolarHBondContact ND1-OE2 2.95Å; L426-E497 HydrophobicContact CD2-CG 4.43Å; L426-E497 WeakPolarHBondContact CD2-OE1 3.46Å; C428-E497 HydrophobicContact CB-CB 3.98Å; F429-E497 HydrophobicContact CB-CB 4.29Å; F429-E497 HydrophobicContact CB-CG 4.27Å; R495-E497 WeakPolarHBondContact CB-OE2 3.43Å; E497-A501 WeakPolarHBondContact O-CB 3.16Å; E497-A501 PolarHBondContact O-N 3.45Å
498	A	98.5	Very high	95.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.9	-40.4	172.9	0	0	0	0	0	112.1	C428 C457 Y461 P496 A501 W502	C428-A498 HydrophobicContact CB-CB 4.29Å; C457-A498 HydrophobicContact CB-CB 4.09Å; Y461-A498 HydrophobicContact CE2-CB 3.59Å; Y461-A498 WeakPolarHBondContact OH-CB 3.39Å; P496-A498 VanDerWaalsContact C-N 3.29Å; P496-A498 PolarHBondContact O-N 3.46Å; P496-A498 VanDerWaalsContact O-N 3.11Å; A498-A501 WeakPolarHBondContact O-CB 3.49Å; A498-A501 PolarHBondContact O-N 3.23Å; A498-W502 HydrophobicContact CB-CH2 4.09Å; A498-W502 HydrophobicContact CB-CZ2 3.82Å; A498-W502 PolarHBondContact O-N 3.19Å
499	V	98.5	Very high	95.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-69.8	-39.5	177.3	-169.6	0	0	0	0	111	P496 A501 W502 F503 L521 L564 L567	P496-V499 CarbonylContact O-C 3.44Å; P496-V499 WeakPolarHBondContact O-CA 3.44Å; P496-V499 WeakPolarHBondContact O-CB 3.49Å; P496-V499 PolarHBondContact O-N 3.17Å; V499-A501 VanDerWaalsContact C-N 3.31Å; V499-A501 PolarHBondContact O-N 3.28Å; V499-W502 HydrophobicContact CG2-CE3 4.32Å; V499-W502 HydrophobicContact CG2-CZ3 4.21Å; V499-W502 PolarHBondContact O-N 3.21Å; V499-F503 WeakPolarHBondContact O-CB 3.36Å; V499-F503 PolarHBondContact O-N 3.06Å; V499-L521 HydrophobicContact CG2-CD2 3.26Å; V499-L564 HydrophobicContact CG1-CD2 3.76Å; V499-L564 HydrophobicContact CG1-CG 3.88Å; V499-L564 HydrophobicContact CG2-CD2 4.34Å; V499-L567 HydrophobicContact CG1-CD2 4.06Å
500	E	97.9	Very high	94.9	Very high	14 Å²	14	21.3 Å²	21.3	7%	0.065	10%	0.104	C	C	.	.	H	α-helix	trans	-55.9	-49.1	170.8	177.8	-179.9	-160.8	0	0	110.1	K371 P496 W502 F503 Y504 Y563	K371-E500 IonicContact NZ-OE1 3.22Å; P496-E500 PolarHBondContact O-N 2.75Å; E500-W502 VanDerWaalsContact C-N 3.35Å; E500-W502 PolarHBondContact O-N 3.44Å; E500-F503 WeakPolarHBondContact O-CB 2.94Å; E500-F503 PolarHBondContact O-N 2.82Å; E500-Y504 HydrophobicContact CG-CD2 3.84Å; E500-Y504 HydrophobicContact CG-CE2 3.5Å; E500-Y504 VanDerWaalsContact CG-CE2 3.5Å; E500-Y504 WeakPolarHBondContact O-CD2 3.46Å; E500-Y504 PolarHBondContact O-N 3.46Å; E500-Y504 WeakPolarHBondContact OE1-CE2 3.16Å; E500-Y563 HydrophobicContact CB-CD1 4.18Å; E500-Y563 HydrophobicContact CB-CD2 3.93Å; E500-Y563 HydrophobicContact CB-CE1 4.07Å; E500-Y563 HydrophobicContact CB-CE2 3.79Å; E500-Y563 HydrophobicContact CB-CG 4.12Å; E500-Y563 HydrophobicContact CG-CD1 4.33Å; E500-Y563 HydrophobicContact CG-CE1 3.77Å; E500-Y563 HydrophobicContact CG-CE2 4Å; E500-Y563 PolarHBondContact OE1-OH 3.35Å; E500-Y563 VanDerWaalsContact OE1-OH 3.1Å
501	A	98.2	Very high	94.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.8	-45.5	176.8	0	0	0	0	0	112.6	E497 A498 V499 F503 Y504 L505	E497-A501 WeakPolarHBondContact O-CB 3.16Å; E497-A501 PolarHBondContact O-N 3.45Å; A498-A501 WeakPolarHBondContact O-CB 3.49Å; A498-A501 PolarHBondContact O-N 3.23Å; V499-A501 VanDerWaalsContact C-N 3.31Å; V499-A501 PolarHBondContact O-N 3.28Å; A501-F503 VanDerWaalsContact C-N 3.35Å; A501-Y504 PolarHBondContact O-N 3.14Å; A501-L505 WeakPolarHBondContact O-CB 3.28Å; A501-L505 VanDerWaalsContact O-CG 3.29Å; A501-L505 WeakPolarHBondContact O-CG 3.3Å; A501-L505 PolarHBondContact O-N 3.27Å
502	W	98.6	Very high	94.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.8	-34.8	177.8	-58.3	-22.7	0	0	0	112.5	G454 R458 Y461 A498 V499 E500 L505 Y506 Y514 W517 L521 L567	G454-W502 PolarHBondContact O-NE1 3Å; R458-W502 HydrophobicContact CB-CZ2 4.02Å; Y461-W502 HydrophobicContact CD2-CH2 4.01Å; Y461-W502 HydrophobicContact CD2-CZ2 4.3Å; Y461-W502 AromaticContact CE2-CH2 3.86Å; Y461-W502 HydrophobicContact CE2-CH2 3.86Å; Y461-W502 HydrophobicContact CE2-CZ2 4.17Å; A498-W502 HydrophobicContact CB-CH2 4.09Å; A498-W502 HydrophobicContact CB-CZ2 3.82Å; A498-W502 PolarHBondContact O-N 3.19Å; V499-W502 HydrophobicContact CG2-CE3 4.32Å; V499-W502 HydrophobicContact CG2-CZ3 4.21Å; V499-W502 PolarHBondContact O-N 3.21Å; E500-W502 VanDerWaalsContact C-N 3.35Å; E500-W502 PolarHBondContact O-N 3.44Å; W502-L505 PolarHBondContact O-N 2.74Å; W502-Y506 VanDerWaalsContact O-CB 3.25Å; W502-Y506 WeakPolarHBondContact O-CB 3.42Å; W502-Y506 PolarHBondContact O-N 3.35Å; W502-Y514 HydrophobicContact CB-CD1 4.23Å; W502-Y514 HydrophobicContact CG-CD1 4.31Å; W502-W517 AromaticContact CD1-CE3 3.68Å; W502-W517 AromaticContact CD1-CZ3 3.94Å; W502-W517 HydrophobicContact CD2-CB 4.19Å; W502-W517 HydrophobicContact CD2-CE3 4.11Å; W502-W517 AromaticContact CE2-CE3 3.81Å; W502-W517 HydrophobicContact CE3-CB 3.99Å; W502-W517 HydrophobicContact CG-CE3 4.08Å; W502-W517 HydrophobicContact CH2-CB 4.35Å; W502-W517 HydrophobicContact CZ2-CE3 4.47Å; W502-W517 HydrophobicContact CZ3-CB 4.07Å; W502-W517 AromaticContact NE1-CE3 3.48Å; W502-W517 AromaticContact NE1-CZ3 3.81Å; W502-L521 HydrophobicContact CZ3-CD2 4.29Å; W502-L567 HydrophobicContact CB-CD2 4.34Å
503	F	97.2	Very high	94.5	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-52.2	172	158.8	-102.6	0	0	0	111.3	V499 E500 A501 L505 Y506 R507 Y563 L566 L567 L577	V499-F503 WeakPolarHBondContact O-CB 3.36Å; V499-F503 PolarHBondContact O-N 3.06Å; E500-F503 WeakPolarHBondContact O-CB 2.94Å; E500-F503 PolarHBondContact O-N 2.82Å; A501-F503 VanDerWaalsContact C-N 3.35Å; F503-L505 VanDerWaalsContact C-N 3.35Å; F503-L505 PolarHBondContact O-N 3.46Å; F503-Y506 PolarHBondContact O-N 2.62Å; F503-R507 HydrophobicContact CD2-CG 4.03Å; F503-R507 HydrophobicContact CE2-CG 3.68Å; F503-R507 HydrophobicContact CZ-CG 4.06Å; F503-R507 VanDerWaalsContact O-CG 3.28Å; F503-R507 WeakPolarHBondContact O-CG 3.49Å; F503-R507 PolarHBondContact O-N 3.03Å; F503-Y563 HydrophobicContact CB-CD1 4.27Å; F503-Y563 AromaticContact CD1-CD1 3.98Å; F503-Y563 HydrophobicContact CD1-CD1 3.98Å; F503-Y563 HydrophobicContact CD1-CE1 4.03Å; F503-Y563 HydrophobicContact CE1-CE1 4.41Å; F503-Y563 HydrophobicContact CG-CD1 4.17Å; F503-L566 HydrophobicContact CD2-CB 3.87Å; F503-L566 HydrophobicContact CE2-CB 3.8Å; F503-L567 HydrophobicContact CB-CB 4.42Å; F503-L577 HydrophobicContact CE1-CD2 3.87Å; F503-L577 HydrophobicContact CZ-CD2 3.94Å; F503-L577 HydrophobicContact CZ-CG 4.37Å
504	Y	95.5	Very high	94.6	Very high	19 Å²	19	23.8 Å²	23.8	8%	0.075	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-43.1	177.2	-75.1	-74.4	0	0	0	111.9	L436 E500 A501 Y506 R507 L508 L577	L436-Y504 HydrophobicContact CB-CD1 3.98Å; L436-Y504 HydrophobicContact CB-CE1 3.95Å; L436-Y504 HydrophobicContact CD1-CD1 4.38Å; L436-Y504 HydrophobicContact CD1-CE1 3.92Å; L436-Y504 HydrophobicContact CD2-CE1 3.98Å; L436-Y504 HydrophobicContact CG-CE1 4.16Å; E500-Y504 HydrophobicContact CG-CD2 3.84Å; E500-Y504 HydrophobicContact CG-CE2 3.5Å; E500-Y504 VanDerWaalsContact CG-CE2 3.5Å; E500-Y504 WeakPolarHBondContact O-CD2 3.46Å; E500-Y504 PolarHBondContact O-N 3.46Å; E500-Y504 WeakPolarHBondContact OE1-CE2 3.16Å; A501-Y504 PolarHBondContact O-N 3.14Å; Y504-Y506 PolarHBondContact O-N 3.13Å; Y504-R507 PolarHBondContact O-N 2.92Å; Y504-L508 WeakPolarHBondContact O-CD1 3.49Å; Y504-L508 PolarHBondContact O-N 2.93Å; Y504-L577 HydrophobicContact CD1-CD1 3.49Å; Y504-L577 VanDerWaalsContact CD1-CD1 3.49Å; Y504-L577 HydrophobicContact CD1-CD2 3.92Å; Y504-L577 HydrophobicContact CD1-CG 4.36Å; Y504-L577 HydrophobicContact CE1-CD1 3.99Å; Y504-L577 HydrophobicContact CE1-CD2 3.51Å; Y504-L577 HydrophobicContact CE1-CG 4.4Å
505	L	95.6	Very high	94.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.2	-43.7	178	-73.3	171.9	0	0	0	111.9	A435 L447 A450 K451 A501 W502 F503 L508 T509 Y514	A435-L505 HydrophobicContact CB-CD2 4.22Å; L447-L505 HydrophobicContact CD1-CD2 4.15Å; A450-L505 HydrophobicContact CB-CD2 3.89Å; K451-L505 HydrophobicContact CG-CD2 4.01Å; A501-L505 WeakPolarHBondContact O-CB 3.28Å; A501-L505 VanDerWaalsContact O-CG 3.29Å; A501-L505 WeakPolarHBondContact O-CG 3.3Å; A501-L505 PolarHBondContact O-N 3.27Å; W502-L505 PolarHBondContact O-N 2.74Å; F503-L505 VanDerWaalsContact C-N 3.35Å; F503-L505 PolarHBondContact O-N 3.46Å; L505-L508 PolarHBondContact O-N 3.43Å; L505-T509 VanDerWaalsContact O-CB 3.3Å; L505-T509 WeakPolarHBondContact O-CB 3.37Å; L505-T509 VanDerWaalsContact O-CG2 3.28Å; L505-T509 WeakPolarHBondContact O-CG2 3.46Å; L505-T509 PolarHBondContact O-N 3.31Å; L505-T509 PolarHBondContact O-OG1 3.07Å; L505-Y514 HydrophobicContact CB-CD1 4.01Å; L505-Y514 HydrophobicContact CB-CD2 3.91Å; L505-Y514 HydrophobicContact CB-CE1 3.77Å; L505-Y514 HydrophobicContact CB-CE2 3.67Å; L505-Y514 HydrophobicContact CB-CG 4.09Å; L505-Y514 HydrophobicContact CD1-CD1 4.14Å; L505-Y514 HydrophobicContact CD1-CE1 3.49Å; L505-Y514 VanDerWaalsContact CD1-CE1 3.49Å; L505-Y514 HydrophobicContact CG-CE1 4.24Å
506	Y	94.5	Very high	94.6	Very high	9 Å²	9	24.9 Å²	24.9	4%	0.035	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-50	174.8	176	-118.3	0	0	0	111.1	W502 F503 Y504 L508 T509 N510 D511 Q515 L567 H572	W502-Y506 VanDerWaalsContact O-CB 3.25Å; W502-Y506 WeakPolarHBondContact O-CB 3.42Å; W502-Y506 PolarHBondContact O-N 3.35Å; F503-Y506 PolarHBondContact O-N 2.62Å; Y504-Y506 PolarHBondContact O-N 3.13Å; Y506-L508 PolarHBondContact O-N 3.35Å; Y506-T509 PolarHBondContact O-N 3.36Å; Y506-N510 WeakPolarHBondContact O-CA 3.37Å; Y506-N510 PolarHBondContact O-N 2.95Å; Y506-D511 WeakPolarHBondContact CD2-O 3.43Å; Y506-Q515 HydrophobicContact CD1-CG 4.23Å; Y506-Q515 HydrophobicContact CD2-CG 3.87Å; Y506-Q515 HydrophobicContact CE1-CG 4.19Å; Y506-Q515 HydrophobicContact CE2-CG 3.83Å; Y506-Q515 HydrophobicContact CG-CG 4.08Å; Y506-Q515 VanDerWaalsContact CZ-CD 3.45Å; Y506-Q515 PolarHBondContact OH-NE2 2.73Å; Y506-L567 HydrophobicContact CD1-CD1 4.12Å; Y506-L567 WeakPolarHBondContact CE1-O 3.34Å; Y506-L567 HydrophobicContact CG-CD1 4.03Å; Y506-H572 AromaticContact CD1-NE2 3.7Å; Y506-H572 AromaticContact CE1-CD2 3.52Å; Y506-H572 AromaticContact CE1-NE2 3.13Å; Y506-H572 WeakPolarHBondContact CE1-NE2 3.33Å; Y506-H572 AromaticContact CZ-CD2 4Å; Y506-H572 AromaticContact CZ-NE2 3.32Å; Y506-H572 VanDerWaalsContact CZ-NE2 3.32Å
507	R	87.8	Confident	94.7	Very high	20 Å²	20	26.6 Å²	26.6	8%	0.075	14%	0.138	C	C	.	.	H	α-helix	trans	-59.6	-32.7	179.8	-68.7	-62.9	-179.5	123.7	-2	113.7	F503 Y504 L566 D569 H572 L574 L577	F503-R507 HydrophobicContact CD2-CG 4.03Å; F503-R507 HydrophobicContact CE2-CG 3.68Å; F503-R507 HydrophobicContact CZ-CG 4.06Å; F503-R507 VanDerWaalsContact O-CG 3.28Å; F503-R507 WeakPolarHBondContact O-CG 3.49Å; F503-R507 PolarHBondContact O-N 3.03Å; Y504-R507 PolarHBondContact O-N 2.92Å; R507-L566 PolarHBondContact NH2-O 3.2Å; R507-D569 IonicContact CZ-OD2 3.21Å; R507-D569 IonicContact NH2-OD2 2.79Å; R507-D569 PolarHBondContact NH2-OD2 2.98Å; R507-H572 VanDerWaalsContact NH1-CA 3.33Å; R507-H572 PolarHBondContact NH1-O 3.33Å; R507-H572 VanDerWaalsContact NH1-O 3.15Å; R507-L574 VanDerWaalsContact CZ-O 3.29Å; R507-L574 PolarHBondContact NH1-O 3.08Å; R507-L574 PolarHBondContact NH2-O 2.02Å; R507-L577 HydrophobicContact CB-CD1 3.45Å; R507-L577 VanDerWaalsContact CB-CD1 3.45Å; R507-L577 HydrophobicContact CB-CG 4.18Å; R507-L577 HydrophobicContact CG-CD1 3.9Å; R507-L577 HydrophobicContact CG-CG 4.23Å
508	L	82.9	Confident	94.7	Very high	36 Å²	36	25.7 Å²	25.7	19%	0.188	13%	0.134	C	C	.	.	H	α-helix	trans	-86.6	-29.2	-179.7	-92.6	78.4	0	0	0	114	A435 V438 E439 L447 Y504 L505 Y506 L577	A435-L508 HydrophobicContact CB-CD1 4.49Å; A435-L508 HydrophobicContact CB-CD2 4.09Å; A435-L508 WeakPolarHBondContact O-CD2 3.5Å; V438-L508 HydrophobicContact CB-CD2 4.28Å; V438-L508 HydrophobicContact CG1-CD2 4.4Å; E439-L508 HydrophobicContact CB-CD1 4.12Å; E439-L508 HydrophobicContact CB-CD2 4.15Å; E439-L508 HydrophobicContact CB-CG 4.34Å; E439-L508 HydrophobicContact CG-CD1 4.45Å; L447-L508 HydrophobicContact CD1-CD2 4.22Å; Y504-L508 WeakPolarHBondContact O-CD1 3.49Å; Y504-L508 PolarHBondContact O-N 2.93Å; L505-L508 PolarHBondContact O-N 3.43Å; Y506-L508 PolarHBondContact O-N 3.35Å; L508-L577 HydrophobicContact CD1-CD1 3.85Å
509	T	84	Confident	94.7	Very high	39 Å²	39	28.9 Å²	28.9	24%	0.239	15%	0.146	C	C	.	.	H	α-helix	trans	-111.9	-19.9	-169.4	65.1	0	0	0	0	113.8	L447 L505 Y506 D511 Y514	L447-T509 HydrophobicContact CD1-CG2 4.47Å; L505-T509 VanDerWaalsContact O-CB 3.3Å; L505-T509 WeakPolarHBondContact O-CB 3.37Å; L505-T509 VanDerWaalsContact O-CG2 3.28Å; L505-T509 WeakPolarHBondContact O-CG2 3.46Å; L505-T509 PolarHBondContact O-N 3.31Å; L505-T509 PolarHBondContact O-OG1 3.07Å; Y506-T509 PolarHBondContact O-N 3.36Å; T509-D511 PolarHBondContact O-N 3.21Å; T509-D511 WeakPolarHBondContact OG1-CB 3.05Å; T509-D511 PolarHBondContact OG1-N 3.13Å; T509-Y514 WeakPolarHBondContact OG1-CE2 3.26Å
510	N	85	Confident	94.7	Very high	106 Å²	106	32 Å²	32	57%	0.567	16%	0.163	S	C	*	.			trans	56.2	24.7	-171.9	-154.2	73.2	0	0	0	113.5	Y506 H572	Y506-N510 WeakPolarHBondContact O-CA 3.37Å; Y506-N510 PolarHBondContact O-N 2.95Å; N510-H572 PolarHBondContact OD1-CE1 3.3Å
511	D	90	Very high	94.7	Very high	60 Å²	60	31.5 Å²	31.5	32%	0.321	16%	0.16	S	C	.	.			trans	-88	112	179.8	-174.6	-13.5	0	0	0	109.8	Y506 T509 K513 Y514	Y506-D511 WeakPolarHBondContact CD2-O 3.43Å; T509-D511 PolarHBondContact O-N 3.21Å; T509-D511 WeakPolarHBondContact OG1-CB 3.05Å; T509-D511 PolarHBondContact OG1-N 3.13Å; D511-K513 PolarHBondContact O-N 3.08Å; D511-K513 VanDerWaalsContact O-N 3.07Å; D511-K513 WeakPolarHBondContact OD1-CB 3.42Å; D511-K513 VanDerWaalsContact OD1-CG 3.29Å; D511-K513 WeakPolarHBondContact OD1-CG 3.48Å; D511-K513 PolarHBondContact OD1-N 3.42Å; D511-K513 VanDerWaalsContact OD1-N 3.12Å; D511-K513 VanDerWaalsContact OD2-CD 3.23Å; D511-K513 WeakPolarHBondContact OD2-CD 3.46Å; D511-K513 WeakPolarHBondContact OD2-CE 3.48Å; D511-K513 IonicContact OD2-NZ 3.85Å; D511-Y514 HydrophobicContact CB-CD2 4.03Å; D511-Y514 HydrophobicContact CB-CE2 3.82Å; D511-Y514 VanDerWaalsContact O-CD2 3.24Å; D511-Y514 WeakPolarHBondContact O-CD2 3.09Å; D511-Y514 PolarHBondContact O-N 3Å
512	S	94.7	Very high	94.8	Very high	64 Å²	64	31.7 Å²	31.7	45%	0.448	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.1	-175.3	64.6	0	0	0	0	113.4	Y514 Q515 D516	S512-Y514 PolarHBondContact O-N 3.49Å; S512-Y514 VanDerWaalsContact O-N 3.11Å; S512-Q515 WeakPolarHBondContact O-CA 3.29Å; S512-Q515 WeakPolarHBondContact O-CB 3.36Å; S512-Q515 PolarHBondContact O-N 3.34Å; S512-D516 PolarHBondContact O-N 2.94Å
513	K	97.7	Very high	94.8	Very high	53 Å²	53	36.2 Å²	36.2	23%	0.23	18%	0.183	C	C	.	.	H	α-helix	trans	-55.1	-34.3	178.4	79.7	-177.1	179.9	169.2	0	112.4	E455 D511 Q515 D516 W517	E455-K513 IonicContact OE1-NZ 3.73Å; E455-K513 PolarHBondContact OE1-NZ 3.25Å; D511-K513 PolarHBondContact O-N 3.08Å; D511-K513 VanDerWaalsContact O-N 3.07Å; D511-K513 WeakPolarHBondContact OD1-CB 3.42Å; D511-K513 VanDerWaalsContact OD1-CG 3.29Å; D511-K513 WeakPolarHBondContact OD1-CG 3.48Å; D511-K513 PolarHBondContact OD1-N 3.42Å; D511-K513 VanDerWaalsContact OD1-N 3.12Å; D511-K513 VanDerWaalsContact OD2-CD 3.23Å; D511-K513 WeakPolarHBondContact OD2-CD 3.46Å; D511-K513 WeakPolarHBondContact OD2-CE 3.48Å; D511-K513 IonicContact OD2-NZ 3.85Å; K513-Q515 VanDerWaalsContact C-N 3.34Å; K513-D516 PolarHBondContact O-N 2.91Å; K513-W517 HydrophobicContact CD-CH2 4.16Å; K513-W517 HydrophobicContact CD-CZ2 3.8Å; K513-W517 HydrophobicContact CG-CH2 4.35Å; K513-W517 HydrophobicContact CG-CZ2 3.96Å; K513-W517 PolarHBondContact O-N 3.47Å
514	Y	98.3	Very high	94.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.5	-37.9	178.1	-63.5	-59.2	0	0	0	111.5	W502 L505 T509 D511 S512 W517 G518 L567	W502-Y514 HydrophobicContact CB-CD1 4.23Å; W502-Y514 HydrophobicContact CG-CD1 4.31Å; L505-Y514 HydrophobicContact CB-CD1 4.01Å; L505-Y514 HydrophobicContact CB-CD2 3.91Å; L505-Y514 HydrophobicContact CB-CE1 3.77Å; L505-Y514 HydrophobicContact CB-CE2 3.67Å; L505-Y514 HydrophobicContact CB-CG 4.09Å; L505-Y514 HydrophobicContact CD1-CD1 4.14Å; L505-Y514 HydrophobicContact CD1-CE1 3.49Å; L505-Y514 VanDerWaalsContact CD1-CE1 3.49Å; L505-Y514 HydrophobicContact CG-CE1 4.24Å; T509-Y514 WeakPolarHBondContact OG1-CE2 3.26Å; D511-Y514 HydrophobicContact CB-CD2 4.03Å; D511-Y514 HydrophobicContact CB-CE2 3.82Å; D511-Y514 VanDerWaalsContact O-CD2 3.24Å; D511-Y514 WeakPolarHBondContact O-CD2 3.09Å; D511-Y514 PolarHBondContact O-N 3Å; S512-Y514 PolarHBondContact O-N 3.49Å; S512-Y514 VanDerWaalsContact O-N 3.11Å; Y514-W517 AromaticContact CD1-CE3 3.68Å; Y514-W517 HydrophobicContact CD1-CE3 3.68Å; Y514-W517 HydrophobicContact CD1-CH2 4.11Å; Y514-W517 AromaticContact CD1-CZ3 3.44Å; Y514-W517 HydrophobicContact CD1-CZ3 3.44Å; Y514-W517 VanDerWaalsContact CD1-CZ3 3.44Å; Y514-W517 HydrophobicContact CE1-CE3 4.14Å; Y514-W517 AromaticContact CE1-CH2 3.78Å; Y514-W517 HydrophobicContact CE1-CH2 3.78Å; Y514-W517 AromaticContact CE1-CZ3 3.41Å; Y514-W517 HydrophobicContact CE1-CZ3 3.41Å; Y514-W517 VanDerWaalsContact CE1-CZ3 3.41Å; Y514-W517 PolarHBondContact O-N 3.09Å; Y514-G518 PolarHBondContact O-N 2.96Å; Y514-G518 VanDerWaalsContact O-N 3.08Å; Y514-L567 WeakPolarHBondContact O-CD2 3.2Å
515	Q	98.2	Very high	95	Very high	13 Å²	13	35.4 Å²	35.4	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-66.5	-41.6	172.4	-57.5	-178.3	-60.9	0	0	110.5	Y506 S512 K513 W517 G518 W519 L567 F568 D570	Y506-Q515 HydrophobicContact CD1-CG 4.23Å; Y506-Q515 HydrophobicContact CD2-CG 3.87Å; Y506-Q515 HydrophobicContact CE1-CG 4.19Å; Y506-Q515 HydrophobicContact CE2-CG 3.83Å; Y506-Q515 HydrophobicContact CG-CG 4.08Å; Y506-Q515 VanDerWaalsContact CZ-CD 3.45Å; Y506-Q515 PolarHBondContact OH-NE2 2.73Å; S512-Q515 WeakPolarHBondContact O-CA 3.29Å; S512-Q515 WeakPolarHBondContact O-CB 3.36Å; S512-Q515 PolarHBondContact O-N 3.34Å; K513-Q515 VanDerWaalsContact C-N 3.34Å; Q515-W517 VanDerWaalsContact C-N 3.3Å; Q515-W517 PolarHBondContact O-N 3.05Å; Q515-G518 PolarHBondContact O-N 3.34Å; Q515-W519 WeakPolarHBondContact O-CB 3.13Å; Q515-W519 PolarHBondContact O-N 3.36Å; Q515-L567 HydrophobicContact CG-CD1 3.99Å; Q515-L567 HydrophobicContact CG-CG 4.25Å; Q515-L567 WeakPolarHBondContact CG-O 3.22Å; Q515-L567 PolarHBondContact NE2-O 3.39Å; Q515-F568 HydrophobicContact CB-CD1 4.2Å; Q515-F568 HydrophobicContact CB-CE1 4.38Å; Q515-F568 VanDerWaalsContact O-CE1 3.3Å; Q515-F568 WeakPolarHBondContact O-CE1 3.49Å; Q515-D570 PolarHBondContact NE2-OD1 3.21Å
516	D	98.5	Very high	95.1	Very high	63 Å²	63	38 Å²	38	34%	0.337	19%	0.193	S	C	.	.	H	α-helix	trans	-62.6	-38.2	177.2	-63.2	-31.7	0	0	0	112	R147 S512 K513 W519 D520	R147-D516 IonicContact CZ-OD1 2.79Å; R147-D516 IonicContact NH1-OD1 3.47Å; R147-D516 PolarHBondContact NH1-OD1 2.9Å; R147-D516 IonicContact NH2-OD1 2.89Å; R147-D516 PolarHBondContact NH2-OD1 3.14Å; S512-D516 PolarHBondContact O-N 2.94Å; K513-D516 PolarHBondContact O-N 2.91Å; D516-W519 WeakPolarHBondContact O-CB 3.39Å; D516-W519 PolarHBondContact O-N 3.18Å; D516-D520 PolarHBondContact O-N 2.96Å
517	W	98.7	Very high	95.3	Very high	36 Å²	36	45.4 Å²	45.4	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-41.3	173.6	-61.7	-7.6	0	0	0	112.9	E455 R458 W502 K513 Y514 Q515 W519 D520 L521	E455-W517 HydrophobicContact CG-CH2 3.59Å; E455-W517 HydrophobicContact CG-CZ2 4.34Å; E455-W517 HydrophobicContact CG-CZ3 4.42Å; R458-W517 HydrophobicContact CB-CD2 4.06Å; R458-W517 HydrophobicContact CB-CE3 3.88Å; R458-W517 HydrophobicContact CB-CZ3 4.09Å; R458-W517 HydrophobicContact CG-CD2 3.8Å; R458-W517 HydrophobicContact CG-CE3 4.15Å; R458-W517 HydrophobicContact CG-CG 4.05Å; R458-W517 HydrophobicContact CG-CZ2 4.43Å; W502-W517 AromaticContact CD1-CE3 3.68Å; W502-W517 AromaticContact CD1-CZ3 3.94Å; W502-W517 HydrophobicContact CD2-CB 4.19Å; W502-W517 HydrophobicContact CD2-CE3 4.11Å; W502-W517 AromaticContact CE2-CE3 3.81Å; W502-W517 HydrophobicContact CE3-CB 3.99Å; W502-W517 HydrophobicContact CG-CE3 4.08Å; W502-W517 HydrophobicContact CH2-CB 4.35Å; W502-W517 HydrophobicContact CZ2-CE3 4.47Å; W502-W517 HydrophobicContact CZ3-CB 4.07Å; W502-W517 AromaticContact NE1-CE3 3.48Å; W502-W517 AromaticContact NE1-CZ3 3.81Å; K513-W517 HydrophobicContact CD-CH2 4.16Å; K513-W517 HydrophobicContact CD-CZ2 3.8Å; K513-W517 HydrophobicContact CG-CH2 4.35Å; K513-W517 HydrophobicContact CG-CZ2 3.96Å; K513-W517 PolarHBondContact O-N 3.47Å; Y514-W517 AromaticContact CD1-CE3 3.68Å; Y514-W517 HydrophobicContact CD1-CE3 3.68Å; Y514-W517 HydrophobicContact CD1-CH2 4.11Å; Y514-W517 AromaticContact CD1-CZ3 3.44Å; Y514-W517 HydrophobicContact CD1-CZ3 3.44Å; Y514-W517 VanDerWaalsContact CD1-CZ3 3.44Å; Y514-W517 HydrophobicContact CE1-CE3 4.14Å; Y514-W517 AromaticContact CE1-CH2 3.78Å; Y514-W517 HydrophobicContact CE1-CH2 3.78Å; Y514-W517 AromaticContact CE1-CZ3 3.41Å; Y514-W517 HydrophobicContact CE1-CZ3 3.41Å; Y514-W517 VanDerWaalsContact CE1-CZ3 3.41Å; Y514-W517 PolarHBondContact O-N 3.09Å; Q515-W517 VanDerWaalsContact C-N 3.3Å; Q515-W517 PolarHBondContact O-N 3.05Å; W517-W519 VanDerWaalsContact C-N 3.31Å; W517-D520 PolarHBondContact O-N 3.45Å; W517-L521 PolarHBondContact O-N 2.62Å; W517-L521 VanDerWaalsContact O-N 3.16Å
518	G	98.7	Very high	95.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-37.6	172.5	0	0	0	0	0	112.4	Y514 Q515 L521 L522 L564	Y514-G518 PolarHBondContact O-N 2.96Å; Y514-G518 VanDerWaalsContact O-N 3.08Å; Q515-G518 PolarHBondContact O-N 3.34Å; G518-L521 PolarHBondContact O-N 2.59Å; G518-L522 PolarHBondContact O-N 3.23Å; G518-L564 VanDerWaalsContact O-CD2 3.23Å; G518-L564 WeakPolarHBondContact O-CD2 3.16Å
519	W	98.7	Very high	96.5	Very high	68 Å²	68	43.6 Å²	43.6	26%	0.258	22%	0.217	S	C	.	.	H	α-helix	trans	-65.8	-42.9	178.5	-175.7	-116.2	0	0	0	112	R147 A150 Q515 D516 W517 L521 L522 Q523 F568	R147-W519 HydrophobicContact CB-CE3 3.87Å; R147-W519 HydrophobicContact CB-CZ3 3.81Å; R147-W519 HydrophobicContact CG-CD2 3.97Å; R147-W519 HydrophobicContact CG-CE3 3.52Å; R147-W519 HydrophobicContact CG-CH2 4.24Å; R147-W519 HydrophobicContact CG-CZ3 3.67Å; A150-W519 HydrophobicContact CB-CH2 3.9Å; A150-W519 HydrophobicContact CB-CZ3 3.85Å; Q515-W519 WeakPolarHBondContact O-CB 3.13Å; Q515-W519 PolarHBondContact O-N 3.36Å; D516-W519 WeakPolarHBondContact O-CB 3.39Å; D516-W519 PolarHBondContact O-N 3.18Å; W517-W519 VanDerWaalsContact C-N 3.31Å; W519-L521 VanDerWaalsContact C-N 3.3Å; W519-L521 PolarHBondContact O-N 3.05Å; W519-L522 HydrophobicContact CE3-CD2 4Å; W519-L522 HydrophobicContact CZ3-CD2 3.63Å; W519-L522 PolarHBondContact O-N 2.61Å; W519-Q523 WeakPolarHBondContact O-CG 3.28Å; W519-Q523 PolarHBondContact O-N 3.39Å; W519-Q523 VanDerWaalsContact O-N 3.08Å; W519-F568 HydrophobicContact CB-CE1 4.27Å; W519-F568 HydrophobicContact CB-CZ 4.15Å; W519-F568 HydrophobicContact CE3-CE2 4.1Å; W519-F568 HydrophobicContact CE3-CZ 4.05Å
520	D	98.6	Very high	97.1	Very high	65 Å²	65	46 Å²	46	35%	0.348	22%	0.224	S	C	.	.	H	α-helix	trans	-61.5	-39.3	174	-70.7	-15.8	0	0	0	112.1	R458 D516 W517 Q523 A524	R458-D520 IonicContact CZ-OD2 2.65Å; R458-D520 IonicContact NH1-OD2 3.94Å; R458-D520 IonicContact NH2-OD2 3.58Å; R458-D520 PolarHBondContact NH2-OD2 3.44Å; D516-D520 PolarHBondContact O-N 2.96Å; W517-D520 PolarHBondContact O-N 3.45Å; D520-Q523 PolarHBondContact O-N 2.82Å; D520-A524 WeakPolarHBondContact O-CB 3.46Å; D520-A524 PolarHBondContact O-N 3.24Å
521	L	98.6	Very high	97.7	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-46.4	175.2	172.9	57.7	0	0	0	111.7	Y461 L468 V499 W502 W517 G518 W519 Q523 A524 I525	Y461-L521 HydrophobicContact CD1-CD1 3.79Å; Y461-L521 HydrophobicContact CE1-CD1 3.42Å; Y461-L521 VanDerWaalsContact CE1-CD1 3.42Å; Y461-L521 HydrophobicContact CE1-CD2 3.99Å; Y461-L521 HydrophobicContact CE1-CG 4.26Å; L468-L521 HydrophobicContact CD2-CD1 4Å; V499-L521 HydrophobicContact CG2-CD2 3.26Å; W502-L521 HydrophobicContact CZ3-CD2 4.29Å; W517-L521 PolarHBondContact O-N 2.62Å; W517-L521 VanDerWaalsContact O-N 3.16Å; G518-L521 PolarHBondContact O-N 2.59Å; W519-L521 VanDerWaalsContact C-N 3.3Å; W519-L521 PolarHBondContact O-N 3.05Å; L521-Q523 VanDerWaalsContact C-N 3.28Å; L521-Q523 PolarHBondContact O-N 3.39Å; L521-A524 WeakPolarHBondContact O-CB 3.31Å; L521-A524 PolarHBondContact O-N 2.85Å; L521-A524 VanDerWaalsContact O-N 3.12Å; L521-I525 HydrophobicContact CD1-CD1 3.94Å; L521-I525 HydrophobicContact CD1-CG1 3.99Å; L521-I525 HydrophobicContact CG-CD1 3.96Å; L521-I525 HydrophobicContact CG-CG1 4.44Å; L521-I525 WeakPolarHBondContact O-CG1 3.42Å; L521-I525 PolarHBondContact O-N 3.33Å
522	L	98.7	Very high	98	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-57.5	-44.7	177.5	-178.7	67.1	0	0	0	110.7	A150 V151 G518 W519 A524 I525 E526 F561 L564 F568	A150-L522 HydrophobicContact CB-CD2 3.99Å; V151-L522 HydrophobicContact CG2-CD1 4.37Å; V151-L522 HydrophobicContact CG2-CD2 3.72Å; G518-L522 PolarHBondContact O-N 3.23Å; W519-L522 HydrophobicContact CE3-CD2 4Å; W519-L522 HydrophobicContact CZ3-CD2 3.63Å; W519-L522 PolarHBondContact O-N 2.61Å; L522-A524 VanDerWaalsContact C-N 3.34Å; L522-A524 PolarHBondContact O-N 2.9Å; L522-I525 PolarHBondContact O-N 3Å; L522-E526 WeakPolarHBondContact O-CG 3.36Å; L522-E526 PolarHBondContact O-N 3.5Å; L522-F561 HydrophobicContact CD1-CE1 4.19Å; L522-L564 HydrophobicContact CB-CD1 4.28Å; L522-L564 HydrophobicContact CD1-CD1 4.12Å; L522-F568 HydrophobicContact CD2-CE2 4.44Å
523	Q	98.7	Very high	98.1	Very high	95 Å²	95	41.9 Å²	41.9	44%	0.444	21%	0.213	S	C	.	.	H	α-helix	trans	-61.1	-41.2	176	-70.1	179.4	51.5	0	0	112.5	W519 D520 L521 E526 K527	W519-Q523 WeakPolarHBondContact O-CG 3.28Å; W519-Q523 PolarHBondContact O-N 3.39Å; W519-Q523 VanDerWaalsContact O-N 3.08Å; D520-Q523 PolarHBondContact O-N 2.82Å; L521-Q523 VanDerWaalsContact C-N 3.28Å; L521-Q523 PolarHBondContact O-N 3.39Å; Q523-E526 PolarHBondContact O-N 3.43Å; Q523-K527 VanDerWaalsContact O-CB 3.26Å; Q523-K527 WeakPolarHBondContact O-CB 3.44Å; Q523-K527 PolarHBondContact O-N 2.51Å
524	A	98.6	Very high	98.1	Very high	8 Å²	8	39.4 Å²	39.4	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-41.9	176	0	0	0	0	0	111.9	T466 L468 D520 L521 L522 K527 H528	T466-A524 WeakPolarHBondContact O-CB 3.48Å; L468-A524 HydrophobicContact CD2-CB 3.79Å; L468-A524 HydrophobicContact CG-CB 4.21Å; D520-A524 WeakPolarHBondContact O-CB 3.46Å; D520-A524 PolarHBondContact O-N 3.24Å; L521-A524 WeakPolarHBondContact O-CB 3.31Å; L521-A524 PolarHBondContact O-N 2.85Å; L521-A524 VanDerWaalsContact O-N 3.12Å; L522-A524 VanDerWaalsContact C-N 3.34Å; L522-A524 PolarHBondContact O-N 2.9Å; A524-K527 PolarHBondContact O-N 2.84Å; A524-H528 VanDerWaalsContact O-CB 3.32Å; A524-H528 WeakPolarHBondContact O-CB 3.26Å; A524-H528 PolarHBondContact O-N 2.8Å
525	I	98.5	Very high	98.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-50.1	174.7	-68.8	170.7	0	0	0	110.4	L468 L494 L521 L522 K527 A529 K530 Y535 T560 F561	L468-I525 HydrophobicContact CD2-CG1 3.89Å; L494-I525 HydrophobicContact CD1-CG2 4.43Å; L494-I525 HydrophobicContact CD2-CG1 4.23Å; L521-I525 HydrophobicContact CD1-CD1 3.94Å; L521-I525 HydrophobicContact CD1-CG1 3.99Å; L521-I525 HydrophobicContact CG-CD1 3.96Å; L521-I525 HydrophobicContact CG-CG1 4.44Å; L521-I525 WeakPolarHBondContact O-CG1 3.42Å; L521-I525 PolarHBondContact O-N 3.33Å; L522-I525 PolarHBondContact O-N 3Å; I525-K527 VanDerWaalsContact C-N 3.27Å; I525-K527 PolarHBondContact O-N 3.5Å; I525-A529 HydrophobicContact CG2-CB 4.38Å; I525-A529 WeakPolarHBondContact O-CA 3.48Å; I525-A529 WeakPolarHBondContact O-CB 3.49Å; I525-A529 PolarHBondContact O-N 2.86Å; I525-K530 PolarHBondContact O-N 3.41Å; I525-Y535 HydrophobicContact CG2-CD1 3.52Å; I525-Y535 HydrophobicContact CG2-CE1 3.69Å; I525-Y535 HydrophobicContact CG2-CG 4.37Å; I525-T560 HydrophobicContact CD1-CG2 4.19Å; I525-F561 HydrophobicContact CG2-CE1 4.5Å
526	E	98.4	Very high	98	Very high	55 Å²	55	38.8 Å²	38.8	26%	0.257	20%	0.199	S	C	.	.	H	α-helix	trans	-57.9	-39.8	178.2	-74.1	-59.2	116.4	0	0	112.3	S154 L522 Q523 K530 Y535	S154-E526 WeakPolarHBondContact CB-OE1 3.18Å; S154-E526 PolarHBondContact OG-OE1 2.94Å; L522-E526 WeakPolarHBondContact O-CG 3.36Å; L522-E526 PolarHBondContact O-N 3.5Å; Q523-E526 PolarHBondContact O-N 3.43Å; E526-K530 WeakPolarHBondContact O-CB 3.48Å; E526-K530 VanDerWaalsContact OE2-CD 3.31Å; E526-K530 WeakPolarHBondContact OE2-CD 3.45Å; E526-K530 WeakPolarHBondContact OE2-CE 3.22Å; E526-K530 IonicContact OE2-NZ 2.7Å; E526-K530 PolarHBondContact OE2-NZ 3.49Å; E526-Y535 VanDerWaalsContact OE1-CE1 3.29Å; E526-Y535 WeakPolarHBondContact OE1-CE1 3.28Å; E526-Y535 VanDerWaalsContact OE1-CZ 3.23Å; E526-Y535 PolarHBondContact OE1-OH 3.05Å
527	K	98	Very high	97.9	Very high	164 Å²	164	36 Å²	36	71%	0.713	18%	0.184	S	C	*	.	H	α-helix	trans	-81.4	-36.1	-175.3	-174.2	176.4	174.8	-172.1	0	113.7	Q523 A524 I525	Q523-K527 VanDerWaalsContact O-CB 3.26Å; Q523-K527 WeakPolarHBondContact O-CB 3.44Å; Q523-K527 PolarHBondContact O-N 2.51Å; A524-K527 PolarHBondContact O-N 2.84Å; I525-K527 VanDerWaalsContact C-N 3.27Å; I525-K527 PolarHBondContact O-N 3.5Å
528	H	97.9	Very high	97.8	Very high	17 Å²	17	34.2 Å²	34.2	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-118.3	-15.8	-165.6	-65.1	-64.8	0	0	0	114.8	T466 L468 A524 T546	T466-H528 PolarHBondContact O-CD2 3.03Å; L468-H528 HydrophobicContact CD1-CB 4.04Å; A524-H528 VanDerWaalsContact O-CB 3.32Å; A524-H528 WeakPolarHBondContact O-CB 3.26Å; A524-H528 PolarHBondContact O-N 2.8Å; H528-T546 HydrophobicContact CB-CG2 4.01Å; H528-T546 PolarHBondContact O-OG1 3.26Å
529	A	97.7	Very high	97.7	Very high	1 Å²	1	36 Å²	36	1%	0.008	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-18.3	-179.6	0	0	0	0	0	113.8	L494 I525 V531 Y535 C536 V538	L494-A529 HydrophobicContact CD1-CB 3.82Å; L494-A529 HydrophobicContact CD2-CB 4.2Å; I525-A529 HydrophobicContact CG2-CB 4.38Å; I525-A529 WeakPolarHBondContact O-CA 3.48Å; I525-A529 WeakPolarHBondContact O-CB 3.49Å; I525-A529 PolarHBondContact O-N 2.86Å; A529-V531 PolarHBondContact O-N 3.3Å; A529-Y535 HydrophobicContact CB-CD1 4.39Å; A529-Y535 CarbonylContact O-C 3.57Å; A529-Y535 VanDerWaalsContact O-CA 3.3Å; A529-Y535 WeakPolarHBondContact O-CA 3.48Å; A529-C536 PolarHBondContact O-N 3.29Å; A529-V538 HydrophobicContact CB-CG2 4Å
530	K	97.9	Very high	97.7	Very high	89 Å²	89	33.3 Å²	33.3	39%	0.387	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	130.7	-179	-164.7	174.5	-165.2	164.9	0	111.8	H157 I525 E526 Y535	H157-K530 VanDerWaalsContact CD2-CE 3.48Å; H157-K530 WeakPolarHBondContact CD2-CE 3.26Å; I525-K530 PolarHBondContact O-N 3.41Å; E526-K530 WeakPolarHBondContact O-CB 3.48Å; E526-K530 VanDerWaalsContact OE2-CD 3.31Å; E526-K530 WeakPolarHBondContact OE2-CD 3.45Å; E526-K530 WeakPolarHBondContact OE2-CE 3.22Å; E526-K530 IonicContact OE2-NZ 2.7Å; E526-K530 PolarHBondContact OE2-NZ 3.49Å; K530-Y535 HydrophobicContact CB-CD1 3.9Å; K530-Y535 HydrophobicContact CB-CE1 3.65Å; K530-Y535 HydrophobicContact CD-CE1 4.19Å; K530-Y535 HydrophobicContact CG-CD1 4.27Å; K530-Y535 HydrophobicContact CG-CE1 3.74Å
531	V	97	Very high	97.6	Very high	35 Å²	35	30.2 Å²	30.2	21%	0.212	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	171.3	171.1	-64.8	0	0	0	0	109.6	H157 P174 A529 S533 G534 C536 C548	H157-V531 PolarHBondContact CE1-O 2.8Å; H157-V531 PolarHBondContact NE2-O 3.35Å; P174-V531 HydrophobicContact CB-CG2 3.65Å; P174-V531 HydrophobicContact CG-CG2 4.13Å; P174-V531 WeakPolarHBondContact O-CG2 3.5Å; A529-V531 PolarHBondContact O-N 3.3Å; V531-S533 PolarHBondContact O-N 3.23Å; V531-G534 WeakPolarHBondContact CG2-O 3.23Å; V531-G534 PolarHBondContact N-O 3.5Å; V531-G534 PolarHBondContact O-N 3.18Å; V531-C536 HydrophobicContact CG1-CB 4.45Å; V531-C548 VanDerWaalsContact CG1-SG 3.52Å
532	A	97	Very high	97.5	Very high	97 Å²	97	33.5 Å²	33.5	80%	0.802	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.2	-173.2	0	0	0	0	0	114.1	H157	H157-A532 PolarHBondContact CE1-O 2.9Å
533	S	96.2	Very high	97.4	Very high	13 Å²	13	39.7 Å²	39.7	9%	0.091	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	26	-174	-56.5	0	0	0	0	113.4	G161 F165 L172 N177 V531	G161-S533 VanDerWaalsContact CA-O 3.27Å; G161-S533 WeakPolarHBondContact CA-O 3.34Å; F165-S533 WeakPolarHBondContact CE2-OG 3.34Å; L172-S533 VanDerWaalsContact CD2-O 3.3Å; L172-S533 WeakPolarHBondContact CD2-O 3.47Å; N177-S533 VanDerWaalsContact OD1-CB 3.32Å; N177-S533 WeakPolarHBondContact OD1-CB 3.34Å; N177-S533 PolarHBondContact OD1-OG 2.97Å; V531-S533 PolarHBondContact O-N 3.23Å
534	G	97.8	Very high	97.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.7	-138.8	175	0	0	0	0	0	112	H157 V531	H157-G534 PolarHBondContact NE2-N 3.05Å; H157-G534 PolarHBondContact NE2-O 3.35Å; V531-G534 WeakPolarHBondContact CG2-O 3.23Å; V531-G534 PolarHBondContact N-O 3.5Å; V531-G534 PolarHBondContact O-N 3.18Å
535	Y	98.2	Very high	97	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.4	177.8	-59	-96.3	0	0	0	110.4	S154 H157 A158 P174 I525 E526 A529 K530 M552 L556 F561	S154-Y535 WeakPolarHBondContact CA-OH 3.44Å; S154-Y535 WeakPolarHBondContact CB-OH 3.12Å; S154-Y535 WeakPolarHBondContact O-CE2 3.36Å; S154-Y535 PolarHBondContact OG-OH 3.43Å; H157-Y535 HydrophobicContact CB-CE2 4.47Å; H157-Y535 AromaticContact CD2-CE2 3.6Å; H157-Y535 AromaticContact CD2-CZ 3.79Å; A158-Y535 HydrophobicContact CB-CD2 3.85Å; A158-Y535 HydrophobicContact CB-CE2 3.93Å; P174-Y535 WeakPolarHBondContact CG-O 3.45Å; I525-Y535 HydrophobicContact CG2-CD1 3.52Å; I525-Y535 HydrophobicContact CG2-CE1 3.69Å; I525-Y535 HydrophobicContact CG2-CG 4.37Å; E526-Y535 VanDerWaalsContact OE1-CE1 3.29Å; E526-Y535 WeakPolarHBondContact OE1-CE1 3.28Å; E526-Y535 VanDerWaalsContact OE1-CZ 3.23Å; E526-Y535 PolarHBondContact OE1-OH 3.05Å; A529-Y535 HydrophobicContact CB-CD1 4.39Å; A529-Y535 CarbonylContact O-C 3.57Å; A529-Y535 VanDerWaalsContact O-CA 3.3Å; A529-Y535 WeakPolarHBondContact O-CA 3.48Å; K530-Y535 HydrophobicContact CB-CD1 3.9Å; K530-Y535 HydrophobicContact CB-CE1 3.65Å; K530-Y535 HydrophobicContact CD-CE1 4.19Å; K530-Y535 HydrophobicContact CG-CD1 4.27Å; K530-Y535 HydrophobicContact CG-CE1 3.74Å; Y535-M552 VanDerWaalsContact O-CB 3.24Å; Y535-M552 WeakPolarHBondContact O-CB 3.48Å; Y535-M552 VanDerWaalsContact O-CG 3.23Å; Y535-M552 WeakPolarHBondContact O-CG 3.4Å; Y535-L556 VanDerWaalsContact CB-CD2 3.46Å; Y535-L556 HydrophobicContact CD2-CD2 3.86Å; Y535-L556 HydrophobicContact CG-CD2 3.84Å; Y535-F561 HydrophobicContact CD2-CE2 4.34Å; Y535-F561 HydrophobicContact CD2-CZ 4.09Å; Y535-F561 HydrophobicContact CE2-CE2 4.15Å; Y535-F561 AromaticContact CE2-CZ 3.81Å; Y535-F561 HydrophobicContact CE2-CZ 3.81Å
536	C	95.6	Very high	96.8	Very high	1 Å²	1	47 Å²	47	1%	0.007	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-98.2	150.1	178.5	73.9	0	0	0	0	111	P174 V175 A529 V531 V538 C548	P174-C536 HydrophobicContact CG-CB 4.17Å; V175-C536 HydrophobicContact CG2-CB 4.19Å; A529-C536 PolarHBondContact O-N 3.29Å; V531-C536 HydrophobicContact CG1-CB 4.45Å; C536-V538 PolarHBondContact O-N 3.43Å; C536-C548 HydrophobicContact CB-CB 3.46Å; C536-C548 VanDerWaalsContact CB-CB 3.46Å; C536-C548 WeakPolarHBondContact CB-SG 3.26Å; C536-C548 WeakPolarHBondContact SG-CA 3.21Å; C536-C548 WeakPolarHBondContact SG-CB 3.38Å; C536-C548 CovalentContact SG-SG 2.03Å; C536-C548 PolarHBondContact SG-SG 3.49Å
537	S	96.5	Very high	96.6	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.5	160	-67.7	0	0	0	0	109.8	S492 L493 R549 K551	S492-S537 CarbonylContact O-C 3.59Å; S492-S537 WeakPolarHBondContact O-CA 3.45Å; L493-S537 WeakPolarHBondContact CD2-OG 3.32Å; S537-R549 WeakPolarHBondContact O-CB 3.3Å; S537-R549 PolarHBondContact O-N 3.28Å; S537-K551 PolarHBondContact N-O 3.36Å
538	V	96.8	Very high	96.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.3	-176.9	171.1	0	0	0	0	110.1	L468 H491 S492 A529 C536 S540 T546	L468-V538 HydrophobicContact CD1-CB 4.25Å; L468-V538 HydrophobicContact CD1-CG2 3.76Å; H491-V538 CarbonylContact C-O 3.19Å; H491-V538 WeakPolarHBondContact CA-O 3.46Å; H491-V538 WeakPolarHBondContact CB-O 3.38Å; S492-V538 PolarHBondContact N-O 3.29Å; S492-V538 PolarHBondContact O-N 2.89Å; A529-V538 HydrophobicContact CB-CG2 4Å; C536-V538 PolarHBondContact O-N 3.43Å; V538-S540 WeakPolarHBondContact CG1-O 3.5Å; V538-T546 HydrophobicContact CG1-CG2 3.52Å; V538-T546 HydrophobicContact CG2-CG2 4.42Å
539	A	96.8	Very high	96.2	Very high	38 Å²	38	45.3 Å²	45.3	31%	0.314	26%	0.264	S	S	.	.	S	Bend	trans	-74	-27	-175.3	0	0	0	0	0	114.3	H491 A547 R549	H491-A539 WeakPolarHBondContact CB-O 3.34Å; A539-A547 HydrophobicContact CB-CB 4.1Å; A539-A547 VanDerWaalsContact CB-O 3.31Å; A539-A547 WeakPolarHBondContact CB-O 3.37Å; A539-A547 PolarHBondContact N-O 3.11Å; A539-R549 HydrophobicContact CB-CG 4.25Å
540	S	97.5	Very high	95.9	Very high	10 Å²	10	48.5 Å²	48.5	7%	0.07	28%	0.284	C	S	.	.			trans	-155	126.2	174.3	170.1	0	0	0	0	110.3	E490 V538 M542	E490-S540 CarbonylContact O-C 3.54Å; E490-S540 VanDerWaalsContact O-CA 3.26Å; E490-S540 WeakPolarHBondContact O-CA 3.44Å; E490-S540 WeakPolarHBondContact OE2-CB 3.3Å; E490-S540 PolarHBondContact OE2-OG 3.03Å; V538-S540 WeakPolarHBondContact CG1-O 3.5Å; S540-M542 PolarHBondContact O-N 2.93Å; S540-M542 PolarHBondContact OG-N 3.23Å
541	V	97.4	Very high	95.7	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10	173.8	-62.6	0	0	0	0	113	N464 T466 L468 P470 E490	N464-V541 HydrophobicContact CB-CB 3.99Å; N464-V541 HydrophobicContact CB-CG2 3.91Å; N464-V541 VanDerWaalsContact CG-CG2 3.47Å; N464-V541 WeakPolarHBondContact ND2-CG2 3.27Å; T466-V541 WeakPolarHBondContact CB-O 3.28Å; T466-V541 WeakPolarHBondContact CG2-O 3.5Å; T466-V541 PolarHBondContact N-O 2.94Å; T466-V541 VanDerWaalsContact OG1-CA 3.3Å; T466-V541 WeakPolarHBondContact OG1-CA 3.34Å; T466-V541 WeakPolarHBondContact OG1-CB 3.28Å; T466-V541 PolarHBondContact OG1-O 3.3Å; L468-V541 HydrophobicContact CB-CG1 3.8Å; L468-V541 WeakPolarHBondContact O-CG1 3.36Å; P470-V541 HydrophobicContact CB-CG2 4.03Å; E490-V541 WeakPolarHBondContact O-CG1 3.42Å; E490-V541 WeakPolarHBondContact O-CG2 3.48Å; E490-V541 PolarHBondContact O-N 3.44Å
542	M	96.7	Very high	95.8	Very high	74 Å²	74	45.4 Å²	45.4	37%	0.365	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-10.1	-177.8	-62.6	-57.1	-73.5	0	0	113.7	N464 P487 E490 S540	N464-M542 HydrophobicContact CB-SD 4.18Å; N464-M542 PolarHBondContact OD1-SD 2.74Å; P487-M542 HydrophobicContact CG-CG 4.33Å; P487-M542 HydrophobicContact CG-SD 3.91Å; E490-M542 HydrophobicContact CG-CG 4.32Å; S540-M542 PolarHBondContact O-N 2.93Å; S540-M542 PolarHBondContact OG-N 3.23Å
543	K	95.4	Very high	95.7	Very high	134 Å²	134	42 Å²	42	58%	0.583	24%	0.235	S	C	*	.			trans	-115.8	129.5	-172.6	-65.2	-179.7	-176.8	176.5	0	111.9	P545 T546	K543-P545 CarbonylContact O-C 3.56Å; K543-T546 WeakPolarHBondContact O-CG2 3.04Å
544	I	95.8	Very high	95.8	Very high	103 Å²	103	41.5 Å²	41.5	53%	0.528	23%	0.232	S	C	.	.	S	Bend	trans	-122	128.1	171.1	-62.5	175.5	0	0	0	108	P465 T466	P465-I544 HydrophobicContact CB-CD1 3.98Å; P465-I544 HydrophobicContact CB-CG1 4.49Å; T466-I544 HydrophobicContact CG2-CD1 4.45Å; T466-I544 HydrophobicContact CG2-CG1 3.91Å
545	P	93.9	Very high	95.7	Very high	121 Å²	121	41.9 Å²	41.9	79%	0.786	23%	0.234	S	C	*	.	S	Bend	cis	-66.6	151.1	-3.8	30.5	-35.3	0	0	0	111.9	K543	K543-P545 CarbonylContact O-C 3.56Å
546	T	93.7	Very high	95.7	Very high	32 Å²	32	42 Å²	42	20%	0.196	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-72.5	143.1	178.4	40.8	0	0	0	0	110.8	T466 H528 V538 K543	T466-T546 HydrophobicContact CG2-CG2 3.49Å; T466-T546 VanDerWaalsContact CG2-CG2 3.49Å; H528-T546 HydrophobicContact CB-CG2 4.01Å; H528-T546 PolarHBondContact O-OG1 3.26Å; V538-T546 HydrophobicContact CG1-CG2 3.52Å; V538-T546 HydrophobicContact CG2-CG2 4.42Å; K543-T546 WeakPolarHBondContact O-CG2 3.04Å
547	A	95.1	Very high	95.9	Very high	60 Å²	60	42 Å²	42	50%	0.496	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-94.4	134.1	169.6	0	0	0	0	0	109.9	A539	A539-A547 HydrophobicContact CB-CB 4.1Å; A539-A547 VanDerWaalsContact CB-O 3.31Å; A539-A547 WeakPolarHBondContact CB-O 3.37Å; A539-A547 PolarHBondContact N-O 3.11Å
548	C	93.9	Very high	95.9	Very high	48 Å²	48	41.8 Å²	41.8	32%	0.324	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139	178.6	-78.2	0	0	0	0	112.4	V175 V531 C536	V175-C548 HydrophobicContact CG2-CB 3.57Å; V531-C548 VanDerWaalsContact CG1-SG 3.52Å; C536-C548 HydrophobicContact CB-CB 3.46Å; C536-C548 VanDerWaalsContact CB-CB 3.46Å; C536-C548 WeakPolarHBondContact CB-SG 3.26Å; C536-C548 WeakPolarHBondContact SG-CA 3.21Å; C536-C548 WeakPolarHBondContact SG-CB 3.38Å; C536-C548 CovalentContact SG-SG 2.03Å; C536-C548 PolarHBondContact SG-SG 3.49Å
549	R	93.5	Very high	96	Very high	93 Å²	93	44.2 Å²	44.2	35%	0.351	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	143.9	158.8	-62.3	-178.5	172	-174.1	0.1	108.8	H491 S537 A539 K551	H491-R549 PolarHBondContact CD2-NH1 3.09Å; H491-R549 VanDerWaalsContact CG-NH1 3.3Å; H491-R549 PolarHBondContact ND1-NH2 2.52Å; H491-R549 PolarHBondContact NE2-NH1 2.87Å; S537-R549 WeakPolarHBondContact O-CB 3.3Å; S537-R549 PolarHBondContact O-N 3.28Å; A539-R549 HydrophobicContact CB-CG 4.25Å; R549-K551 PolarHBondContact O-N 2.82Å
550	P	91.6	Very high	96.1	Very high	67 Å²	67	42.5 Å²	42.5	44%	0.435	23%	0.23	S	C	.	.	S	Bend	trans	-77.2	55.3	-176.9	32.7	-36.5	0	0	0	112.4	D173	D173-P550 VanDerWaalsContact CG-CB 3.49Å; D173-P550 WeakPolarHBondContact OD1-CA 2.77Å; D173-P550 VanDerWaalsContact OD1-CB 3.32Å; D173-P550 WeakPolarHBondContact OD1-CB 3.07Å; D173-P550 VanDerWaalsContact OD2-CB 3.3Å; D173-P550 WeakPolarHBondContact OD2-CB 3.09Å
551	K	94.1	Very high	96.2	Very high	58 Å²	58	42 Å²	42	25%	0.252	23%	0.226	S	C	.	.			trans	-154.7	129.4	-179.4	-167	178.3	-174.7	-153.1	0	111.6	E171 S537 R549 E553	E171-K551 WeakPolarHBondContact OE1-CE 3.4Å; E171-K551 IonicContact OE1-NZ 3.44Å; E171-K551 PolarHBondContact OE1-NZ 3.47Å; S537-K551 PolarHBondContact N-O 3.36Å; R549-K551 PolarHBondContact O-N 2.82Å; K551-E553 VanDerWaalsContact CD-OE1 3.32Å; K551-E553 WeakPolarHBondContact CD-OE1 3.49Å; K551-E553 WeakPolarHBondContact CE-OE1 3.08Å; K551-E553 VanDerWaalsContact CE-OE2 3.31Å; K551-E553 WeakPolarHBondContact CE-OE2 3.4Å; K551-E553 VanDerWaalsContact NZ-CD 3.28Å; K551-E553 IonicContact NZ-OE1 2.96Å; K551-E553 PolarHBondContact NZ-OE1 2.8Å; K551-E553 VanDerWaalsContact NZ-OE1 3.08Å; K551-E553 IonicContact NZ-OE2 3.33Å; K551-E553 PolarHBondContact NZ-OE2 3.37Å
552	M	97.4	Very high	96.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-102.6	118.5	162.7	-171.5	172.2	77.4	0	0	108.1	A158 L172 P174 Y535 L556 L557	A158-M552 HydrophobicContact CB-CE 4.31Å; A158-M552 HydrophobicContact CB-SD 3.9Å; L172-M552 HydrophobicContact CB-CB 4.27Å; L172-M552 HydrophobicContact CB-CE 4Å; L172-M552 HydrophobicContact CD2-CB 4.49Å; L172-M552 HydrophobicContact CD2-CE 3.43Å; L172-M552 VanDerWaalsContact CD2-CE 3.43Å; L172-M552 HydrophobicContact CD2-SD 3.96Å; L172-M552 HydrophobicContact CG-CE 4.32Å; L172-M552 PolarHBondContact O-N 2.73Å; P174-M552 HydrophobicContact CG-CB 4.1Å; Y535-M552 VanDerWaalsContact O-CB 3.24Å; Y535-M552 WeakPolarHBondContact O-CB 3.48Å; Y535-M552 VanDerWaalsContact O-CG 3.23Å; Y535-M552 WeakPolarHBondContact O-CG 3.4Å; M552-L556 HydrophobicContact CG-CD2 4.13Å; M552-L556 HydrophobicContact SD-CD2 4.46Å; M552-L557 HydrophobicContact CE-CD1 3.54Å; M552-L557 HydrophobicContact SD-CD1 4.04Å
553	E	96.5	Very high	96.2	Very high	25 Å²	25	41.7 Å²	41.7	12%	0.117	22%	0.222	C	C	.	.			trans	-73.2	139	179.2	-62.1	-69.4	174	0	0	110.5	L493 K551 F555 L556	L493-E553 HydrophobicContact CB-CG 4.37Å; K551-E553 VanDerWaalsContact CD-OE1 3.32Å; K551-E553 WeakPolarHBondContact CD-OE1 3.49Å; K551-E553 WeakPolarHBondContact CE-OE1 3.08Å; K551-E553 VanDerWaalsContact CE-OE2 3.31Å; K551-E553 WeakPolarHBondContact CE-OE2 3.4Å; K551-E553 VanDerWaalsContact NZ-CD 3.28Å; K551-E553 IonicContact NZ-OE1 2.96Å; K551-E553 PolarHBondContact NZ-OE1 2.8Å; K551-E553 VanDerWaalsContact NZ-OE1 3.08Å; K551-E553 IonicContact NZ-OE2 3.33Å; K551-E553 PolarHBondContact NZ-OE2 3.37Å; E553-F555 HydrophobicContact CB-CD1 3.74Å; E553-F555 HydrophobicContact CB-CD2 4.04Å; E553-F555 HydrophobicContact CB-CE1 3.42Å; E553-F555 VanDerWaalsContact CB-CE1 3.42Å; E553-F555 HydrophobicContact CB-CE2 3.72Å; E553-F555 HydrophobicContact CB-CG 4.05Å; E553-F555 HydrophobicContact CB-CZ 3.42Å; E553-F555 VanDerWaalsContact CB-CZ 3.42Å; E553-F555 HydrophobicContact CG-CD1 4.43Å; E553-F555 HydrophobicContact CG-CE1 3.62Å; E553-F555 HydrophobicContact CG-CE2 4.09Å; E553-F555 HydrophobicContact CG-CZ 3.42Å; E553-F555 VanDerWaalsContact CG-CZ 3.42Å; E553-F555 PolarHBondContact O-N 2.82Å; E553-L556 WeakPolarHBondContact O-CB 3.41Å; E553-L556 PolarHBondContact O-N 2.76Å; E553-L556 VanDerWaalsContact O-N 3.11Å
554	S	97.1	Very high	96.4	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.028	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-36	-179.4	64.3	0	0	0	0	112	D191 R232 L556 L557 S558	D191-S554 WeakPolarHBondContact OD2-CB 3.15Å; D191-S554 PolarHBondContact OD2-OG 2.86Å; R232-S554 PolarHBondContact NH1-OG 3.49Å; S554-L556 PolarHBondContact O-N 2.85Å; S554-L556 VanDerWaalsContact O-N 3.16Å; S554-L557 PolarHBondContact O-N 2.89Å; S554-S558 PolarHBondContact O-N 3.19Å; S554-S558 PolarHBondContact O-OG 3.16Å
555	F	97.2	Very high	96.5	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.035	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-16.4	177.1	60.6	-108	0	0	0	114.7	L493 R495 E553 L557 S558 E559 T560	L493-F555 HydrophobicContact CB-CE2 4.42Å; L493-F555 HydrophobicContact CB-CZ 3.89Å; L493-F555 WeakPolarHBondContact O-CE2 3.07Å; R495-F555 HydrophobicContact CB-CE2 4.4Å; R495-F555 HydrophobicContact CG-CE2 4.01Å; R495-F555 HydrophobicContact CG-CZ 4.11Å; E553-F555 HydrophobicContact CB-CD1 3.74Å; E553-F555 HydrophobicContact CB-CD2 4.04Å; E553-F555 HydrophobicContact CB-CE1 3.42Å; E553-F555 VanDerWaalsContact CB-CE1 3.42Å; E553-F555 HydrophobicContact CB-CE2 3.72Å; E553-F555 HydrophobicContact CB-CG 4.05Å; E553-F555 HydrophobicContact CB-CZ 3.42Å; E553-F555 VanDerWaalsContact CB-CZ 3.42Å; E553-F555 HydrophobicContact CG-CD1 4.43Å; E553-F555 HydrophobicContact CG-CE1 3.62Å; E553-F555 HydrophobicContact CG-CE2 4.09Å; E553-F555 HydrophobicContact CG-CZ 3.42Å; E553-F555 VanDerWaalsContact CG-CZ 3.42Å; E553-F555 PolarHBondContact O-N 2.82Å; F555-L557 VanDerWaalsContact C-N 3.31Å; F555-S558 WeakPolarHBondContact CA-OG 3.24Å; F555-E559 HydrophobicContact CB-CB 4.15Å; F555-E559 HydrophobicContact CB-CG 3.9Å; F555-E559 WeakPolarHBondContact CB-OE1 3.49Å; F555-E559 CarbonylContact O-C 3.52Å; F555-E559 WeakPolarHBondContact O-CA 3.35Å; F555-E559 VanDerWaalsContact O-CB 3.3Å; F555-E559 WeakPolarHBondContact O-CB 3.49Å; F555-E559 PolarHBondContact O-N 2.83Å; F555-T560 PolarHBondContact O-N 2.9Å
556	L	98.4	Very high	96.5	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.134	C	C	.	.	I	π-helix	trans	-60.8	-46.9	169.7	176.2	65.4	0	0	0	110.1	L494 Y535 M552 E553 S554 T560 F561	L494-L556 HydrophobicContact CB-CD1 3.97Å; L494-L556 HydrophobicContact CD1-CD1 3.97Å; L494-L556 HydrophobicContact CD1-CD2 4.09Å; Y535-L556 VanDerWaalsContact CB-CD2 3.46Å; Y535-L556 HydrophobicContact CD2-CD2 3.86Å; Y535-L556 HydrophobicContact CG-CD2 3.84Å; M552-L556 HydrophobicContact CG-CD2 4.13Å; M552-L556 HydrophobicContact SD-CD2 4.46Å; E553-L556 WeakPolarHBondContact O-CB 3.41Å; E553-L556 PolarHBondContact O-N 2.76Å; E553-L556 VanDerWaalsContact O-N 3.11Å; S554-L556 PolarHBondContact O-N 2.85Å; S554-L556 VanDerWaalsContact O-N 3.16Å; L556-T560 HydrophobicContact CD1-CG2 4.2Å; L556-F561 HydrophobicContact CD1-CD1 4.47Å; L556-F561 HydrophobicContact CD1-CE1 4.04Å; L556-F561 HydrophobicContact CD1-CE2 4.16Å; L556-F561 HydrophobicContact CD1-CZ 3.87Å; L556-F561 HydrophobicContact CD2-CE2 4.17Å; L556-F561 HydrophobicContact CD2-CZ 4.21Å; L556-F561 HydrophobicContact CG-CD2 4.27Å; L556-F561 HydrophobicContact CG-CE2 3.81Å; L556-F561 HydrophobicContact CG-CZ 3.97Å; L556-F561 WeakPolarHBondContact O-CD2 3.23Å; L556-F561 WeakPolarHBondContact O-CG 3.17Å; L556-F561 PolarHBondContact O-N 3.34Å
557	L	98.4	Very high	96.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.125	C	C	.	.	I	π-helix	trans	-75.3	-48.5	177.1	-76.5	85.8	0	0	0	110.9	F155 A158 W159 A192 T195 M552 S554 F555	F155-L557 HydrophobicContact CD2-CB 4.13Å; F155-L557 HydrophobicContact CD2-CD2 4.31Å; F155-L557 HydrophobicContact CD2-CG 4.2Å; F155-L557 HydrophobicContact CE2-CB 3.74Å; F155-L557 HydrophobicContact CE2-CD2 3.93Å; F155-L557 HydrophobicContact CE2-CG 4.08Å; F155-L557 HydrophobicContact CZ-CD2 4.03Å; A158-L557 HydrophobicContact CB-CD1 3.84Å; A158-L557 HydrophobicContact CB-CD2 4.26Å; A158-L557 HydrophobicContact CB-CG 4.07Å; W159-L557 HydrophobicContact CB-CD2 4.42Å; W159-L557 HydrophobicContact CE3-CD2 3.78Å; A192-L557 HydrophobicContact CB-CB 3.61Å; A192-L557 HydrophobicContact CB-CD2 4.15Å; T195-L557 WeakPolarHBondContact CG2-O 3.31Å; T195-L557 PolarHBondContact OG1-O 3.47Å; M552-L557 HydrophobicContact CE-CD1 3.54Å; M552-L557 HydrophobicContact SD-CD1 4.04Å; S554-L557 PolarHBondContact O-N 2.89Å; F555-L557 VanDerWaalsContact C-N 3.31Å
558	S	98	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-79.7	-20.6	-170.3	64	0	0	0	0	115	D191 T195 S554 F555 K562	D191-S558 WeakPolarHBondContact O-CB 3.43Å; D191-S558 VanDerWaalsContact OD1-CB 3.27Å; D191-S558 WeakPolarHBondContact OD1-CB 3.16Å; D191-S558 PolarHBondContact OD1-OG 3.18Å; D191-S558 PolarHBondContact OD2-OG 2.87Å; T195-S558 WeakPolarHBondContact OG1-CA 3.4Å; T195-S558 PolarHBondContact OG1-O 3.16Å; S554-S558 PolarHBondContact O-N 3.19Å; S554-S558 PolarHBondContact O-OG 3.16Å; F555-S558 WeakPolarHBondContact CA-OG 3.24Å; S558-K562 WeakPolarHBondContact O-CB 3.18Å; S558-K562 WeakPolarHBondContact O-CD 3.47Å; S558-K562 WeakPolarHBondContact O-CE 3.5Å; S558-K562 PolarHBondContact O-NZ 2.98Å
559	E	98.1	Very high	96.6	Very high	51 Å²	51	18.4 Å²	18.4	24%	0.238	9%	0.086	C	C	.	.	I	π-helix	trans	-128	-60.7	-172.3	-52.8	178.5	-128.6	0	0	111.3	R232 P496 F555 F561 K562 Y563	R232-E559 IonicContact CZ-OE1 2.75Å; R232-E559 IonicContact NH1-OE1 3.09Å; R232-E559 PolarHBondContact NH1-OE1 3.38Å; R232-E559 IonicContact NH2-OE1 3.83Å; P496-E559 HydrophobicContact CB-CB 3.67Å; P496-E559 HydrophobicContact CG-CB 3.63Å; P496-E559 HydrophobicContact CG-CG 4.47Å; P496-E559 WeakPolarHBondContact CG-OE2 3.39Å; F555-E559 HydrophobicContact CB-CB 4.15Å; F555-E559 HydrophobicContact CB-CG 3.9Å; F555-E559 WeakPolarHBondContact CB-OE1 3.49Å; F555-E559 CarbonylContact O-C 3.52Å; F555-E559 WeakPolarHBondContact O-CA 3.35Å; F555-E559 VanDerWaalsContact O-CB 3.3Å; F555-E559 WeakPolarHBondContact O-CB 3.49Å; F555-E559 PolarHBondContact O-N 2.83Å; E559-F561 PolarHBondContact O-N 3.23Å; E559-K562 WeakPolarHBondContact O-CB 3.46Å; E559-K562 PolarHBondContact O-N 3.23Å; E559-Y563 VanDerWaalsContact O-CD2 3.25Å; E559-Y563 WeakPolarHBondContact O-CD2 3.16Å; E559-Y563 PolarHBondContact O-N 3.12Å
560	T	98.6	Very high	96.2	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	9%	0.091	C	C	.	.	I	π-helix	trans	-62.6	-50.1	-173.5	-58.3	0	0	0	0	111.8	L494 I525 F555 L556 L564	L494-T560 PolarHBondContact O-OG1 3.23Å; I525-T560 HydrophobicContact CD1-CG2 4.19Å; F555-T560 PolarHBondContact O-N 2.9Å; L556-T560 HydrophobicContact CD1-CG2 4.2Å; T560-L564 HydrophobicContact CG2-CD1 4.29Å; T560-L564 WeakPolarHBondContact O-CB 3.07Å; T560-L564 WeakPolarHBondContact O-CG 3.36Å; T560-L564 PolarHBondContact O-N 3.26Å
561	F	98.7	Very high	95.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.4	-33.3	174.7	-67.2	-32.4	0	0	0	112.6	V151 F155 A158 M199 L522 I525 Y535 L556 E559 L564 Y565	V151-F561 HydrophobicContact CG1-CB 3.92Å; V151-F561 HydrophobicContact CG1-CD1 4.26Å; V151-F561 HydrophobicContact CG1-CG 4.38Å; V151-F561 VanDerWaalsContact CG1-O 3.25Å; V151-F561 WeakPolarHBondContact CG1-O 3.49Å; F155-F561 HydrophobicContact CB-CD2 4.1Å; F155-F561 HydrophobicContact CD2-CB 4.4Å; F155-F561 HydrophobicContact CD2-CD2 4.23Å; A158-F561 HydrophobicContact CB-CE2 4.27Å; M199-F561 HydrophobicContact CE-CB 4Å; M199-F561 WeakPolarHBondContact CE-O 3.44Å; L522-F561 HydrophobicContact CD1-CE1 4.19Å; I525-F561 HydrophobicContact CG2-CE1 4.5Å; Y535-F561 HydrophobicContact CD2-CE2 4.34Å; Y535-F561 HydrophobicContact CD2-CZ 4.09Å; Y535-F561 HydrophobicContact CE2-CE2 4.15Å; Y535-F561 AromaticContact CE2-CZ 3.81Å; Y535-F561 HydrophobicContact CE2-CZ 3.81Å; L556-F561 HydrophobicContact CD1-CD1 4.47Å; L556-F561 HydrophobicContact CD1-CE1 4.04Å; L556-F561 HydrophobicContact CD1-CE2 4.16Å; L556-F561 HydrophobicContact CD1-CZ 3.87Å; L556-F561 HydrophobicContact CD2-CE2 4.17Å; L556-F561 HydrophobicContact CD2-CZ 4.21Å; L556-F561 HydrophobicContact CG-CD2 4.27Å; L556-F561 HydrophobicContact CG-CE2 3.81Å; L556-F561 HydrophobicContact CG-CZ 3.97Å; L556-F561 WeakPolarHBondContact O-CD2 3.23Å; L556-F561 WeakPolarHBondContact O-CG 3.17Å; L556-F561 PolarHBondContact O-N 3.34Å; E559-F561 PolarHBondContact O-N 3.23Å; F561-L564 HydrophobicContact CD1-CD1 4.24Å; F561-Y565 VanDerWaalsContact O-CB 3.29Å; F561-Y565 WeakPolarHBondContact O-CB 3.46Å; F561-Y565 PolarHBondContact O-N 3.49Å
562	K	97.4	Very high	94.5	Very high	30 Å²	30	21 Å²	21	13%	0.13	10%	0.1	C	C	.	.	H	α-helix	trans	-59.9	-52.9	173.7	-176.8	-176.1	-68.1	158.1	0	111.2	D194 T195 I198 S558 E559 L564 Y565 L566	D194-K562 WeakPolarHBondContact OD1-CE 3.32Å; D194-K562 IonicContact OD1-NZ 3.82Å; D194-K562 PolarHBondContact OD1-NZ 3.46Å; D194-K562 IonicContact OD2-NZ 3.8Å; D194-K562 PolarHBondContact OD2-NZ 3.13Å; T195-K562 HydrophobicContact CG2-CB 3.82Å; T195-K562 HydrophobicContact CG2-CG 4.43Å; T195-K562 WeakPolarHBondContact OG1-CE 3.36Å; T195-K562 PolarHBondContact OG1-NZ 3.24Å; I198-K562 HydrophobicContact CD1-CD 4.12Å; I198-K562 HydrophobicContact CD1-CG 4.24Å; S558-K562 WeakPolarHBondContact O-CB 3.18Å; S558-K562 WeakPolarHBondContact O-CD 3.47Å; S558-K562 WeakPolarHBondContact O-CE 3.5Å; S558-K562 PolarHBondContact O-NZ 2.98Å; E559-K562 WeakPolarHBondContact O-CB 3.46Å; E559-K562 PolarHBondContact O-N 3.23Å; K562-L564 PolarHBondContact O-N 3.09Å; K562-Y565 WeakPolarHBondContact O-CB 2.76Å; K562-Y565 PolarHBondContact O-N 3.25Å; K562-L566 HydrophobicContact CG-CD1 4.08Å; K562-L566 VanDerWaalsContact O-CG 3.3Å; K562-L566 WeakPolarHBondContact O-CG 3.19Å; K562-L566 PolarHBondContact O-N 3.1Å
563	Y	98.1	Very high	93.1	Very high	37 Å²	37	23.6 Å²	23.6	15%	0.145	12%	0.118	C	C	.	.	H	α-helix	trans	-67.3	-36.2	-179.2	-75.8	-63.2	0	0	0	112.7	P496 E500 F503 E559 Y565 L566 L567	P496-Y563 HydrophobicContact CB-CD2 4.01Å; P496-Y563 HydrophobicContact CB-CE2 4.45Å; E500-Y563 HydrophobicContact CB-CD1 4.18Å; E500-Y563 HydrophobicContact CB-CD2 3.93Å; E500-Y563 HydrophobicContact CB-CE1 4.07Å; E500-Y563 HydrophobicContact CB-CE2 3.79Å; E500-Y563 HydrophobicContact CB-CG 4.12Å; E500-Y563 HydrophobicContact CG-CD1 4.33Å; E500-Y563 HydrophobicContact CG-CE1 3.77Å; E500-Y563 HydrophobicContact CG-CE2 4Å; E500-Y563 PolarHBondContact OE1-OH 3.35Å; E500-Y563 VanDerWaalsContact OE1-OH 3.1Å; F503-Y563 HydrophobicContact CB-CD1 4.27Å; F503-Y563 AromaticContact CD1-CD1 3.98Å; F503-Y563 HydrophobicContact CD1-CD1 3.98Å; F503-Y563 HydrophobicContact CD1-CE1 4.03Å; F503-Y563 HydrophobicContact CE1-CE1 4.41Å; F503-Y563 HydrophobicContact CG-CD1 4.17Å; E559-Y563 VanDerWaalsContact O-CD2 3.25Å; E559-Y563 WeakPolarHBondContact O-CD2 3.16Å; E559-Y563 PolarHBondContact O-N 3.12Å; Y563-Y565 VanDerWaalsContact C-N 3.34Å; Y563-Y565 PolarHBondContact O-N 3.28Å; Y563-L566 PolarHBondContact O-N 3Å; Y563-L567 WeakPolarHBondContact O-CB 3.45Å; Y563-L567 PolarHBondContact O-N 3.31Å
564	L	98.6	Very high	91.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.3	-45.1	171.8	-75.8	170.6	0	0	0	111.2	V151 V499 G518 L522 T560 F561 K562 L566 L567 F568	V151-L564 HydrophobicContact CG1-CB 4.12Å; V151-L564 HydrophobicContact CG2-CB 3.81Å; V499-L564 HydrophobicContact CG1-CD2 3.76Å; V499-L564 HydrophobicContact CG1-CG 3.88Å; V499-L564 HydrophobicContact CG2-CD2 4.34Å; G518-L564 VanDerWaalsContact O-CD2 3.23Å; G518-L564 WeakPolarHBondContact O-CD2 3.16Å; L522-L564 HydrophobicContact CB-CD1 4.28Å; L522-L564 HydrophobicContact CD1-CD1 4.12Å; T560-L564 HydrophobicContact CG2-CD1 4.29Å; T560-L564 WeakPolarHBondContact O-CB 3.07Å; T560-L564 WeakPolarHBondContact O-CG 3.36Å; T560-L564 PolarHBondContact O-N 3.26Å; F561-L564 HydrophobicContact CD1-CD1 4.24Å; K562-L564 PolarHBondContact O-N 3.09Å; L564-L566 PolarHBondContact O-N 3.23Å; L564-L567 PolarHBondContact O-N 3.17Å; L564-F568 HydrophobicContact CB-CE2 4.22Å; L564-F568 HydrophobicContact CD2-CE2 4.31Å; L564-F568 HydrophobicContact CD2-CZ 4Å; L564-F568 WeakPolarHBondContact O-CD2 3.28Å; L564-F568 VanDerWaalsContact O-CG 3.23Å; L564-F568 WeakPolarHBondContact O-CG 3.42Å; L564-F568 PolarHBondContact O-N 3.49Å
565	Y	97.6	Very high	90.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-40.9	178	-173.1	-92.6	0	0	0	112.9	G142 P143 Q148 I198 M199 F561 K562 Y563 L574	G142-Y565 PolarHBondContact O-OH 2.95Å; P143-Y565 WeakPolarHBondContact CA-OH 3.41Å; P143-Y565 HydrophobicContact CB-CE2 4.08Å; P143-Y565 VanDerWaalsContact N-OH 3.12Å; Q148-Y565 HydrophobicContact CB-CD2 3.96Å; Q148-Y565 HydrophobicContact CB-CE2 3.73Å; Q148-Y565 HydrophobicContact CG-CD2 4.13Å; Q148-Y565 HydrophobicContact CG-CE2 4.12Å; Q148-Y565 PolarHBondContact NE2-O 2.99Å; I198-Y565 HydrophobicContact CG2-CD1 3.9Å; I198-Y565 HydrophobicContact CG2-CE1 3.97Å; M199-Y565 HydrophobicContact CB-CE2 4.3Å; M199-Y565 HydrophobicContact CE-CD2 4.21Å; M199-Y565 HydrophobicContact CE-CG 4.14Å; M199-Y565 HydrophobicContact CG-CD1 4.26Å; M199-Y565 HydrophobicContact CG-CD2 3.82Å; M199-Y565 HydrophobicContact CG-CE1 4.35Å; M199-Y565 HydrophobicContact CG-CE2 3.9Å; M199-Y565 HydrophobicContact CG-CG 3.99Å; F561-Y565 VanDerWaalsContact O-CB 3.29Å; F561-Y565 WeakPolarHBondContact O-CB 3.46Å; F561-Y565 PolarHBondContact O-N 3.49Å; K562-Y565 WeakPolarHBondContact O-CB 2.76Å; K562-Y565 PolarHBondContact O-N 3.25Å; Y563-Y565 VanDerWaalsContact C-N 3.34Å; Y563-Y565 PolarHBondContact O-N 3.28Å; Y565-L574 HydrophobicContact CD1-CD1 4.32Å; Y565-L574 HydrophobicContact CE1-CD1 3.72Å
566	L	95.1	Very high	88.9	Confident	8 Å²	8	29.2 Å²	29.2	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-73.7	-29.8	177.3	-66.9	178.9	0	0	0	113.6	I198 F503 R507 K562 Y563 L564 D569 L574 F575	I198-L566 HydrophobicContact CG2-CD2 4.12Å; F503-L566 HydrophobicContact CD2-CB 3.87Å; F503-L566 HydrophobicContact CE2-CB 3.8Å; R507-L566 PolarHBondContact NH2-O 3.2Å; K562-L566 HydrophobicContact CG-CD1 4.08Å; K562-L566 VanDerWaalsContact O-CG 3.3Å; K562-L566 WeakPolarHBondContact O-CG 3.19Å; K562-L566 PolarHBondContact O-N 3.1Å; Y563-L566 PolarHBondContact O-N 3Å; L564-L566 PolarHBondContact O-N 3.23Å; L566-D569 WeakPolarHBondContact O-CB 3.17Å; L566-D569 PolarHBondContact O-N 3.44Å; L566-L574 HydrophobicContact CD2-CB 3.95Å; L566-L574 HydrophobicContact CD2-CD1 4.28Å; L566-F575 HydrophobicContact CD1-CD2 4.37Å; L566-F575 HydrophobicContact CD2-CD2 3.62Å; L566-F575 HydrophobicContact CD2-CE2 4.17Å
567	L	96.9	Very high	87.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.2	-38	173.9	173.8	61.6	0	0	0	110.8	V499 W502 F503 Y506 Y514 Q515 Y563 L564 D569	V499-L567 HydrophobicContact CG1-CD2 4.06Å; W502-L567 HydrophobicContact CB-CD2 4.34Å; F503-L567 HydrophobicContact CB-CB 4.42Å; Y506-L567 HydrophobicContact CD1-CD1 4.12Å; Y506-L567 WeakPolarHBondContact CE1-O 3.34Å; Y506-L567 HydrophobicContact CG-CD1 4.03Å; Y514-L567 WeakPolarHBondContact O-CD2 3.2Å; Q515-L567 HydrophobicContact CG-CD1 3.99Å; Q515-L567 HydrophobicContact CG-CG 4.25Å; Q515-L567 WeakPolarHBondContact CG-O 3.22Å; Q515-L567 PolarHBondContact NE2-O 3.39Å; Y563-L567 WeakPolarHBondContact O-CB 3.45Å; Y563-L567 PolarHBondContact O-N 3.31Å; L564-L567 PolarHBondContact O-N 3.17Å; L567-D569 PolarHBondContact O-N 2.77Å
568	F	97	Very high	85.2	Confident	1 Å²	1	35.1 Å²	35.1	0%	0.004	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	12.5	175.7	-55.6	-32	0	0	0	114	N145 R147 Q148 V151 Q515 W519 L522 L564 D570	N145-F568 PolarHBondContact ND2-O 3.27Å; R147-F568 HydrophobicContact CB-CB 3.97Å; R147-F568 HydrophobicContact CB-CD1 4.15Å; R147-F568 HydrophobicContact CB-CD2 3.55Å; R147-F568 HydrophobicContact CB-CE2 4.04Å; R147-F568 HydrophobicContact CB-CG 3.61Å; Q148-F568 HydrophobicContact CG-CB 3.72Å; Q148-F568 WeakPolarHBondContact CG-O 3.46Å; V151-F568 HydrophobicContact CG2-CD2 3.65Å; V151-F568 HydrophobicContact CG2-CE2 3.49Å; V151-F568 VanDerWaalsContact CG2-CE2 3.49Å; Q515-F568 HydrophobicContact CB-CD1 4.2Å; Q515-F568 HydrophobicContact CB-CE1 4.38Å; Q515-F568 VanDerWaalsContact O-CE1 3.3Å; Q515-F568 WeakPolarHBondContact O-CE1 3.49Å; W519-F568 HydrophobicContact CB-CE1 4.27Å; W519-F568 HydrophobicContact CB-CZ 4.15Å; W519-F568 HydrophobicContact CE3-CE2 4.1Å; W519-F568 HydrophobicContact CE3-CZ 4.05Å; L522-F568 HydrophobicContact CD2-CE2 4.44Å; L564-F568 HydrophobicContact CB-CE2 4.22Å; L564-F568 HydrophobicContact CD2-CE2 4.31Å; L564-F568 HydrophobicContact CD2-CZ 4Å; L564-F568 WeakPolarHBondContact O-CD2 3.28Å; L564-F568 VanDerWaalsContact O-CG 3.23Å; L564-F568 WeakPolarHBondContact O-CG 3.42Å; L564-F568 PolarHBondContact O-N 3.49Å; F568-D570 PolarHBondContact O-N 3.11Å
569	D	90.7	Very high	82.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.			trans	-81.1	95.6	169.3	171.5	4.4	0	0	0	110.2	R144 R507 L566 L567 E571 H572 S573 L574	R144-D569 IonicContact CZ-OD1 3.82Å; R144-D569 IonicContact NH1-OD1 2.74Å; R144-D569 IonicContact NH2-OD1 3.08Å; R144-D569 PolarHBondContact NH2-OD1 3.33Å; R144-D569 IonicContact NH2-OD2 3.86Å; R507-D569 IonicContact CZ-OD2 3.21Å; R507-D569 IonicContact NH2-OD2 2.79Å; R507-D569 PolarHBondContact NH2-OD2 2.98Å; L566-D569 WeakPolarHBondContact O-CB 3.17Å; L566-D569 PolarHBondContact O-N 3.44Å; L567-D569 PolarHBondContact O-N 2.77Å; D569-E571 PolarHBondContact O-N 3Å; D569-E571 PolarHBondContact OD1-N 3.03Å; D569-E571 VanDerWaalsContact OD1-N 3.13Å; D569-H572 PolarHBondContact O-N 2.87Å; D569-H572 PolarHBondContact OD1-N 3.16Å; D569-S573 PolarHBondContact OD1-N 2.81Å; D569-S573 PolarHBondContact OD2-N 2.84Å; D569-L574 WeakPolarHBondContact OD2-CB 3.36Å; D569-L574 PolarHBondContact OD2-N 3.06Å
570	D	84.6	Confident	80.4	Confident	87 Å²	87	41.3 Å²	41.3	47%	0.465	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.7	-176.8	-57.7	-35.3	0	0	0	113.7	N145 Q515 F568	N145-D570 PolarHBondContact ND2-OD2 2.8Å; Q515-D570 PolarHBondContact NE2-OD1 3.21Å; F568-D570 PolarHBondContact O-N 3.11Å
571	E	75.2	Confident	78.7	Confident	146 Å²	146	43 Å²	43	68%	0.682	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-1.5	-174.9	-61.3	179.3	179.2	0	0	113.3	R144 D569 S573	R144-E571 IonicContact CZ-OE2 3.56Å; R144-E571 VanDerWaalsContact NH1-CD 3.27Å; R144-E571 IonicContact NH1-OE2 2.57Å; R144-E571 PolarHBondContact NH1-OE2 3.38Å; D569-E571 PolarHBondContact O-N 3Å; D569-E571 PolarHBondContact OD1-N 3.03Å; D569-E571 VanDerWaalsContact OD1-N 3.13Å; E571-S573 PolarHBondContact O-N 2.97Å; E571-S573 VanDerWaalsContact O-N 3.13Å
572	H	75.3	Confident	77.2	Confident	40 Å²	40	50 Å²	50	19%	0.185	24%	0.237	C	C	.	.			trans	54	27.2	-172.7	-56.1	169.9	0	0	0	113.9	Y506 R507 N510 D569	Y506-H572 AromaticContact CD1-NE2 3.7Å; Y506-H572 AromaticContact CE1-CD2 3.52Å; Y506-H572 AromaticContact CE1-NE2 3.13Å; Y506-H572 WeakPolarHBondContact CE1-NE2 3.33Å; Y506-H572 AromaticContact CZ-CD2 4Å; Y506-H572 AromaticContact CZ-NE2 3.32Å; Y506-H572 VanDerWaalsContact CZ-NE2 3.32Å; R507-H572 VanDerWaalsContact NH1-CA 3.33Å; R507-H572 PolarHBondContact NH1-O 3.33Å; R507-H572 VanDerWaalsContact NH1-O 3.15Å; N510-H572 PolarHBondContact OD1-CE1 3.3Å; D569-H572 PolarHBondContact O-N 2.87Å; D569-H572 PolarHBondContact OD1-N 3.16Å
573	S	66.9	Low	76.6	Confident	55 Å²	55	51.4 Å²	51.4	39%	0.385	24%	0.241	S	C	.	.			trans	-80.6	-27.6	-170.9	72.6	0	0	0	0	113.3	R144 D569 E571	R144-S573 PolarHBondContact NH1-OG 3.3Å; R144-S573 PolarHBondContact NH2-OG 2.74Å; D569-S573 PolarHBondContact OD1-N 2.81Å; D569-S573 PolarHBondContact OD2-N 2.84Å; E571-S573 PolarHBondContact O-N 2.97Å; E571-S573 VanDerWaalsContact O-N 3.13Å
574	L	68.3	Low	75.7	Confident	9 Å²	9	50.8 Å²	50.8	5%	0.047	24%	0.24	C	C	.	.	S	Bend	trans	-87.2	136.1	176	-59.7	175.5	0	0	0	110	Y138 R507 Y565 L566 D569 N576	Y138-L574 HydrophobicContact CE2-CD2 3.99Å; R507-L574 VanDerWaalsContact CZ-O 3.29Å; R507-L574 PolarHBondContact NH1-O 3.08Å; R507-L574 PolarHBondContact NH2-O 2.02Å; Y565-L574 HydrophobicContact CD1-CD1 4.32Å; Y565-L574 HydrophobicContact CE1-CD1 3.72Å; L566-L574 HydrophobicContact CD2-CB 3.95Å; L566-L574 HydrophobicContact CD2-CD1 4.28Å; D569-L574 WeakPolarHBondContact OD2-CB 3.36Å; D569-L574 PolarHBondContact OD2-N 3.06Å; L574-N576 VanDerWaalsContact C-N 3.34Å; L574-N576 PolarHBondContact O-N 3.06Å
575	F	71.8	Confident	74.7	Confident	79 Å²	79	53.9 Å²	53.9	35%	0.346	25%	0.254	S	S	.	.	S	Bend	trans	40.6	57.6	175.7	-57.1	-82.7	0	0	0	113.6	I198 L243 L566 L577	I198-F575 HydrophobicContact CB-CE2 4.4Å; I198-F575 HydrophobicContact CD1-CE2 3.5Å; I198-F575 VanDerWaalsContact CD1-CE2 3.5Å; I198-F575 HydrophobicContact CD1-CZ 3.55Å; I198-F575 HydrophobicContact CG1-CE2 3.53Å; I198-F575 HydrophobicContact CG1-CZ 3.6Å; I198-F575 HydrophobicContact CG2-CE2 4.02Å; L243-F575 HydrophobicContact CD2-CE1 4.17Å; L243-F575 HydrophobicContact CD2-CZ 4.03Å; L566-F575 HydrophobicContact CD1-CD2 4.37Å; L566-F575 HydrophobicContact CD2-CD2 3.62Å; L566-F575 HydrophobicContact CD2-CE2 4.17Å; F575-L577 PolarHBondContact O-N 3.46Å
576	N	64.1	Low	74.1	Confident	67 Å²	67	55 Å²	55	36%	0.358	26%	0.263	S	S	.	.			trans	-59.9	113.8	179.9	178.3	-0.2	0	0	0	109.8	L574 K578 Q579	L574-N576 VanDerWaalsContact C-N 3.34Å; L574-N576 PolarHBondContact O-N 3.06Å; N576-K578 PolarHBondContact O-N 3.09Å; N576-K578 WeakPolarHBondContact OD1-CA 3.33Å; N576-K578 WeakPolarHBondContact OD1-CB 3.4Å; N576-K578 PolarHBondContact OD1-N 2.84Å; N576-Q579 HydrophobicContact CB-CB 3.97Å; N576-Q579 VanDerWaalsContact O-CB 3.31Å; N576-Q579 WeakPolarHBondContact O-CB 3.36Å; N576-Q579 PolarHBondContact O-N 3.29Å
577	L	63.4	Low	74	Confident	32 Å²	32	54.6 Å²	54.6	17%	0.168	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-28.3	177.5	-60.3	-176.8	0	0	0	112.9	F503 Y504 R507 L508 F575	F503-L577 HydrophobicContact CE1-CD2 3.87Å; F503-L577 HydrophobicContact CZ-CD2 3.94Å; F503-L577 HydrophobicContact CZ-CG 4.37Å; Y504-L577 HydrophobicContact CD1-CD1 3.49Å; Y504-L577 VanDerWaalsContact CD1-CD1 3.49Å; Y504-L577 HydrophobicContact CD1-CD2 3.92Å; Y504-L577 HydrophobicContact CD1-CG 4.36Å; Y504-L577 HydrophobicContact CE1-CD1 3.99Å; Y504-L577 HydrophobicContact CE1-CD2 3.51Å; Y504-L577 HydrophobicContact CE1-CG 4.4Å; R507-L577 HydrophobicContact CB-CD1 3.45Å; R507-L577 VanDerWaalsContact CB-CD1 3.45Å; R507-L577 HydrophobicContact CB-CG 4.18Å; R507-L577 HydrophobicContact CG-CD1 3.9Å; R507-L577 HydrophobicContact CG-CG 4.23Å; L508-L577 HydrophobicContact CD1-CD1 3.85Å; F575-L577 PolarHBondContact O-N 3.46Å
578	K	54.4	Low	73.4	Confident	95 Å²	95	55.1 Å²	55.1	41%	0.413	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-29.9	178.8	-85.5	174.8	179.2	176.4	0	113.5	E439 N576 Y580	E439-K578 HydrophobicContact CG-CG 4.34Å; E439-K578 WeakPolarHBondContact OE1-CD 3.28Å; E439-K578 WeakPolarHBondContact OE1-CE 3.48Å; E439-K578 WeakPolarHBondContact OE1-CG 3.24Å; E439-K578 WeakPolarHBondContact OE2-CE 3.32Å; N576-K578 PolarHBondContact O-N 3.09Å; N576-K578 WeakPolarHBondContact OD1-CA 3.33Å; N576-K578 WeakPolarHBondContact OD1-CB 3.4Å; N576-K578 PolarHBondContact OD1-N 2.84Å; K578-Y580 VanDerWaalsContact C-CD2 3.49Å; K578-Y580 HydrophobicContact CB-CD2 3.54Å; K578-Y580 HydrophobicContact CB-CE2 3.43Å; K578-Y580 VanDerWaalsContact CB-CE2 3.43Å; K578-Y580 HydrophobicContact CD-CE2 3.97Å; K578-Y580 HydrophobicContact CG-CD2 4.23Å; K578-Y580 HydrophobicContact CG-CE2 3.58Å; K578-Y580 WeakPolarHBondContact O-CA 3.39Å; K578-Y580 WeakPolarHBondContact O-CB 3.33Å; K578-Y580 WeakPolarHBondContact O-CD2 3.25Å; K578-Y580 WeakPolarHBondContact O-CE2 3.14Å; K578-Y580 PolarHBondContact O-N 3.45Å
579	Q	45.7	Very low	72.9	Confident	78 Å²	78	59.3 Å²	59.3	36%	0.364	29%	0.287	S	S	.	.			trans	-53.9	75.8	-170.8	-171.6	175.2	2	0	0	110.4	N576 K582	N576-Q579 HydrophobicContact CB-CB 3.97Å; N576-Q579 VanDerWaalsContact O-CB 3.31Å; N576-Q579 WeakPolarHBondContact O-CB 3.36Å; N576-Q579 PolarHBondContact O-N 3.29Å; Q579-K582 VanDerWaalsContact NE2-CE 3.33Å
580	Y	49.7	Very low	73.2	Confident	102 Å²	102	59.4 Å²	59.4	40%	0.4	29%	0.288	S	S	.	.				55.2	111.6	60.4	-79.1	-48.6	0	0	0	104.9	K578 K582	K578-Y580 VanDerWaalsContact C-CD2 3.49Å; K578-Y580 HydrophobicContact CB-CD2 3.54Å; K578-Y580 HydrophobicContact CB-CE2 3.43Å; K578-Y580 VanDerWaalsContact CB-CE2 3.43Å; K578-Y580 HydrophobicContact CD-CE2 3.97Å; K578-Y580 HydrophobicContact CG-CD2 4.23Å; K578-Y580 HydrophobicContact CG-CE2 3.58Å; K578-Y580 WeakPolarHBondContact O-CA 3.39Å; K578-Y580 WeakPolarHBondContact O-CB 3.33Å; K578-Y580 WeakPolarHBondContact O-CD2 3.25Å; K578-Y580 WeakPolarHBondContact O-CE2 3.14Å; K578-Y580 PolarHBondContact O-N 3.45Å; Y580-K582 PolarHBondContact O-N 3Å
581	N	62.7	Low	73.7	Confident	36 Å²	36	55.3 Å²	55.3	19%	0.193	27%	0.266	C	S	.	.			trans	-47.5	111	163.2	-176.5	-24.2	0	0	0	106	R583 Q584 Q585 F1020 D1022	N581-R583 CarbonylContact O-C 3.44Å; N581-R583 PolarHBondContact O-N 3.33Å; N581-R583 WeakPolarHBondContact OD1-CB 3.28Å; N581-R583 WeakPolarHBondContact OD1-CG 3.49Å; N581-R583 PolarHBondContact OD1-N 3.02Å; N581-Q584 HydrophobicContact CB-CB 4.21Å; N581-Q584 HydrophobicContact CB-CG 4.01Å; N581-Q584 WeakPolarHBondContact O-CA 3.48Å; N581-Q584 WeakPolarHBondContact O-CB 3.36Å; N581-Q584 PolarHBondContact O-N 3.32Å; N581-Q585 PolarHBondContact O-N 3.45Å; N581-Q585 VanDerWaalsContact O-N 3.13Å; N581-F1020 PolarHBondContact ND2-O 2.49Å; N581-D1022 PolarHBondContact ND2-OD2 3.29Å
582	K	68.7	Low	74.4	Confident	148 Å²	148	49.8 Å²	49.8	64%	0.643	24%	0.241	S	C	*	.	H	α-helix	trans	-50.9	-28	-176.7	-77.4	179.5	170.5	174.1	0	110.6	Q579 Y580 A586	Q579-K582 VanDerWaalsContact NE2-CE 3.33Å; Y580-K582 PolarHBondContact O-N 3Å; K582-A586 WeakPolarHBondContact O-CB 3.45Å; K582-A586 PolarHBondContact O-N 3.05Å
583	R	82.9	Confident	75.3	Confident	60 Å²	60	50 Å²	50	23%	0.226	24%	0.242	C	C	.	.	H	α-helix	trans	-69.5	-44.1	174.9	-51.2	-174.6	165.5	179	-8.2	112.9	N581 Q585 A586 V587 Q967 E968 W971 F1020	N581-R583 CarbonylContact O-C 3.44Å; N581-R583 PolarHBondContact O-N 3.33Å; N581-R583 WeakPolarHBondContact OD1-CB 3.28Å; N581-R583 WeakPolarHBondContact OD1-CG 3.49Å; N581-R583 PolarHBondContact OD1-N 3.02Å; R583-Q585 VanDerWaalsContact C-N 3.32Å; R583-Q585 PolarHBondContact O-N 3.38Å; R583-A586 PolarHBondContact O-N 2.9Å; R583-V587 WeakPolarHBondContact O-CG2 3.24Å; R583-V587 PolarHBondContact O-N 3.45Å; R583-Q967 PolarHBondContact NH1-O 3.16Å; R583-E968 IonicContact CZ-OE2 3.98Å; R583-E968 IonicContact NH1-OE2 3.89Å; R583-E968 IonicContact NH2-OE2 3.44Å; R583-E968 PolarHBondContact NH2-OE2 3.31Å; R583-W971 HydrophobicContact CB-CE3 3.7Å; R583-W971 HydrophobicContact CB-CZ3 3.8Å; R583-W971 HydrophobicContact CG-CD2 3.92Å; R583-W971 HydrophobicContact CG-CE3 3.46Å; R583-W971 VanDerWaalsContact CG-CE3 3.46Å; R583-W971 HydrophobicContact CG-CH2 4.41Å; R583-W971 HydrophobicContact CG-CZ3 3.74Å; R583-F1020 HydrophobicContact CB-CB 4.1Å; R583-F1020 HydrophobicContact CB-CD1 3.78Å; R583-F1020 HydrophobicContact CB-CD2 3.42Å; R583-F1020 VanDerWaalsContact CB-CD2 3.42Å; R583-F1020 HydrophobicContact CB-CE1 4.03Å; R583-F1020 HydrophobicContact CB-CE2 3.7Å; R583-F1020 HydrophobicContact CB-CG 3.48Å; R583-F1020 VanDerWaalsContact CB-CG 3.48Å; R583-F1020 HydrophobicContact CB-CZ 4Å; R583-F1020 HydrophobicContact CG-CD1 4.41Å; R583-F1020 HydrophobicContact CG-CE1 4.46Å
584	Q	81.1	Confident	76.8	Confident	23 Å²	23	47.4 Å²	47.4	11%	0.107	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-43.7	171.7	-74.3	-173.4	-55.2	0	0	111.4	N581 A586 V587 V588 Y1017 F1020	N581-Q584 HydrophobicContact CB-CB 4.21Å; N581-Q584 HydrophobicContact CB-CG 4.01Å; N581-Q584 WeakPolarHBondContact O-CA 3.48Å; N581-Q584 WeakPolarHBondContact O-CB 3.36Å; N581-Q584 PolarHBondContact O-N 3.32Å; Q584-A586 VanDerWaalsContact C-N 3.35Å; Q584-A586 PolarHBondContact O-N 3.19Å; Q584-V587 WeakPolarHBondContact O-CB 3.02Å; Q584-V587 PolarHBondContact O-N 3.12Å; Q584-V588 WeakPolarHBondContact O-CG2 3.07Å; Q584-V588 PolarHBondContact O-N 3.23Å; Q584-Y1017 HydrophobicContact CB-CD2 3.97Å; Q584-Y1017 HydrophobicContact CB-CE2 3.8Å; Q584-Y1017 HydrophobicContact CG-CD2 4.15Å; Q584-Y1017 HydrophobicContact CG-CE2 4.16Å; Q584-Y1017 PolarHBondContact NE2-O 2.64Å; Q584-F1020 HydrophobicContact CB-CB 4.47Å; Q584-F1020 HydrophobicContact CG-CB 3.45Å; Q584-F1020 VanDerWaalsContact CG-CB 3.45Å
585	Q	76.2	Confident	78.1	Confident	65 Å²	65	47.1 Å²	47.1	30%	0.304	22%	0.222	S	C	.	.	H	α-helix	trans	-64.5	-39.8	178.1	-173.1	60.9	58.2	0	0	112.2	N581 R583 V587 V588 N589	N581-Q585 PolarHBondContact O-N 3.45Å; N581-Q585 VanDerWaalsContact O-N 3.13Å; R583-Q585 VanDerWaalsContact C-N 3.32Å; R583-Q585 PolarHBondContact O-N 3.38Å; Q585-V587 VanDerWaalsContact C-N 3.31Å; Q585-V587 PolarHBondContact O-N 3.08Å; Q585-V588 PolarHBondContact O-N 3.2Å; Q585-N589 PolarHBondContact NE2-OD1 3.11Å; Q585-N589 PolarHBondContact O-N 3.01Å; Q585-N589 PolarHBondContact O-OD1 3.22Å
586	A	84.5	Confident	79.1	Confident	23 Å²	23	50 Å²	50	19%	0.19	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-43.3	174.3	0	0	0	0	0	111.3	K582 R583 Q584 V588 N589 S590 W971 L974	K582-A586 WeakPolarHBondContact O-CB 3.45Å; K582-A586 PolarHBondContact O-N 3.05Å; R583-A586 PolarHBondContact O-N 2.9Å; Q584-A586 VanDerWaalsContact C-N 3.35Å; Q584-A586 PolarHBondContact O-N 3.19Å; A586-V588 PolarHBondContact O-N 2.9Å; A586-N589 PolarHBondContact O-N 3.43Å; A586-S590 PolarHBondContact O-N 2.95Å; A586-S590 PolarHBondContact O-OG 3.08Å; A586-S590 VanDerWaalsContact O-OG 3.1Å; A586-W971 HydrophobicContact CB-CH2 3.93Å; A586-W971 HydrophobicContact CB-CZ3 3.75Å; A586-L974 HydrophobicContact CB-CD2 3.83Å
587	V	93.1	Very high	80.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-44	175	177	0	0	0	0	111.7	R583 Q584 Q585 N589 S590 F591 M635 L974 F1013 L1016 F1020	R583-V587 WeakPolarHBondContact O-CG2 3.24Å; R583-V587 PolarHBondContact O-N 3.45Å; Q584-V587 WeakPolarHBondContact O-CB 3.02Å; Q584-V587 PolarHBondContact O-N 3.12Å; Q585-V587 VanDerWaalsContact C-N 3.31Å; Q585-V587 PolarHBondContact O-N 3.08Å; V587-N589 VanDerWaalsContact C-N 3.31Å; V587-N589 PolarHBondContact O-N 3Å; V587-S590 PolarHBondContact O-N 3.34Å; V587-F591 WeakPolarHBondContact O-CB 3.38Å; V587-F591 PolarHBondContact O-N 2.73Å; V587-M635 HydrophobicContact CG1-CE 3.7Å; V587-L974 HydrophobicContact CG2-CD1 4.34Å; V587-L974 HydrophobicContact CG2-CD2 3.66Å; V587-F1013 HydrophobicContact CG1-CB 4Å; V587-F1013 HydrophobicContact CG1-CD1 4.4Å; V587-F1013 HydrophobicContact CG1-CG 4.49Å; V587-F1013 WeakPolarHBondContact CG1-O 3.2Å; V587-L1016 HydrophobicContact CG1-CB 4.15Å; V587-L1016 HydrophobicContact CG2-CB 3.68Å; V587-F1020 HydrophobicContact CG2-CD2 3.73Å; V587-F1020 HydrophobicContact CG2-CE2 3.59Å
588	V	86	Confident	82.4	Confident	12 Å²	12	45.6 Å²	45.6	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-42.5	175.7	172.4	0	0	0	0	111	Q584 Q585 A586 S590 F591 L592 M635 Y1017	Q584-V588 WeakPolarHBondContact O-CG2 3.07Å; Q584-V588 PolarHBondContact O-N 3.23Å; Q585-V588 PolarHBondContact O-N 3.2Å; A586-V588 PolarHBondContact O-N 2.9Å; V588-S590 PolarHBondContact O-N 3.43Å; V588-F591 PolarHBondContact O-N 3.46Å; V588-L592 HydrophobicContact CG1-CD1 3.88Å; V588-L592 HydrophobicContact CG1-CG 4.27Å; V588-L592 WeakPolarHBondContact O-CB 3.14Å; V588-L592 VanDerWaalsContact O-CG 3.31Å; V588-L592 WeakPolarHBondContact O-CG 3.19Å; V588-L592 PolarHBondContact O-N 3.22Å; V588-M635 HydrophobicContact CG2-CB 4.18Å; V588-M635 HydrophobicContact CG2-CG 4.33Å; V588-M635 HydrophobicContact CG2-SD 3.96Å; V588-Y1017 HydrophobicContact CG2-CD2 3.85Å; V588-Y1017 HydrophobicContact CG2-CE2 3.53Å
589	N	85.9	Confident	84.3	Confident	88 Å²	88	45.2 Å²	45.2	47%	0.471	21%	0.21	S	C	.	.	H	α-helix	trans	-63.9	-41.9	178.1	-66.4	-11.7	0	0	0	111.7	Q585 A586 V587 L592 H593	Q585-N589 PolarHBondContact NE2-OD1 3.11Å; Q585-N589 PolarHBondContact O-N 3.01Å; Q585-N589 PolarHBondContact O-OD1 3.22Å; A586-N589 PolarHBondContact O-N 3.43Å; V587-N589 VanDerWaalsContact C-N 3.31Å; V587-N589 PolarHBondContact O-N 3Å; N589-L592 PolarHBondContact O-N 3Å; N589-H593 WeakPolarHBondContact O-CB 3.43Å; N589-H593 PolarHBondContact O-N 3.29Å
590	S	96.3	Very high	86.8	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-44.9	174.9	-58.1	0	0	0	0	111.8	A586 V587 V588 L592 H593 A594 E978 Y987	A586-S590 PolarHBondContact O-N 2.95Å; A586-S590 PolarHBondContact O-OG 3.08Å; A586-S590 VanDerWaalsContact O-OG 3.1Å; V587-S590 PolarHBondContact O-N 3.34Å; V588-S590 PolarHBondContact O-N 3.43Å; S590-L592 PolarHBondContact O-N 3.45Å; S590-H593 WeakPolarHBondContact O-CB 3.48Å; S590-H593 PolarHBondContact O-N 2.82Å; S590-A594 PolarHBondContact O-N 3Å; S590-A594 VanDerWaalsContact O-N 3.1Å; S590-E978 VanDerWaalsContact CB-OE1 3.3Å; S590-E978 WeakPolarHBondContact CB-OE1 3.34Å; S590-E978 VanDerWaalsContact OG-CD 3.31Å; S590-E978 PolarHBondContact OG-OE1 3.36Å; S590-Y987 VanDerWaalsContact CA-OH 3.3Å; S590-Y987 WeakPolarHBondContact CA-OH 3.34Å; S590-Y987 WeakPolarHBondContact CB-OH 3.49Å; S590-Y987 WeakPolarHBondContact O-CE2 2.94Å
591	F	95.1	Very high	89.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-49.2	174.6	177.7	-83.1	0	0	0	111.4	V587 V588 H593 A594 W595 T631 L632 M635 L1009 F1013	V587-F591 WeakPolarHBondContact O-CB 3.38Å; V587-F591 PolarHBondContact O-N 2.73Å; V588-F591 PolarHBondContact O-N 3.46Å; F591-H593 VanDerWaalsContact C-N 3.3Å; F591-H593 PolarHBondContact O-N 2.86Å; F591-A594 PolarHBondContact O-N 3.25Å; F591-W595 HydrophobicContact CD1-CB 4.37Å; F591-W595 HydrophobicContact CE1-CB 4.04Å; F591-W595 HydrophobicContact CE1-CD2 4.34Å; F591-W595 HydrophobicContact CE1-CE3 4.38Å; F591-W595 HydrophobicContact CE1-CG 4.22Å; F591-W595 HydrophobicContact CZ-CD2 4.47Å; F591-W595 HydrophobicContact CZ-CE3 4.06Å; F591-W595 WeakPolarHBondContact O-CB 3.08Å; F591-W595 PolarHBondContact O-N 3.09Å; F591-T631 HydrophobicContact CD2-CG2 3.67Å; F591-T631 HydrophobicContact CE2-CG2 3.37Å; F591-T631 HydrophobicContact CZ-CG2 4.09Å; F591-L632 HydrophobicContact CE1-CD2 3.54Å; F591-L632 HydrophobicContact CE1-CG 4.25Å; F591-L632 HydrophobicContact CZ-CD2 3.83Å; F591-L632 HydrophobicContact CZ-CG 4.02Å; F591-M635 HydrophobicContact CB-CE 3.87Å; F591-M635 HydrophobicContact CB-SD 3.86Å; F591-M635 HydrophobicContact CD1-SD 4.17Å; F591-M635 HydrophobicContact CD2-CE 3.96Å; F591-M635 HydrophobicContact CD2-SD 4.17Å; F591-M635 HydrophobicContact CG-CE 4.01Å; F591-M635 HydrophobicContact CG-SD 3.79Å; F591-L1009 HydrophobicContact CD2-CB 4.19Å; F591-L1009 HydrophobicContact CD2-CD2 4.28Å; F591-L1009 HydrophobicContact CD2-CG 4.26Å; F591-L1009 HydrophobicContact CE2-CB 3.78Å; F591-L1009 HydrophobicContact CE2-CD2 3.86Å; F591-L1009 HydrophobicContact CE2-CG 4.1Å; F591-L1009 HydrophobicContact CZ-CD2 4.1Å; F591-F1013 HydrophobicContact CB-CB 4.49Å; F591-F1013 HydrophobicContact CB-CD2 3.98Å; F591-F1013 HydrophobicContact CB-CG 4.45Å; F591-F1013 HydrophobicContact CD2-CB 4.34Å; F591-F1013 HydrophobicContact CD2-CD2 4.16Å
592	L	89.8	Confident	90.7	Very high	31 Å²	31	41.9 Å²	41.9	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-32.6	-179.6	-72.2	175.2	0	0	0	112.6	V588 N589 S590 K596 L637 E656	V588-L592 HydrophobicContact CG1-CD1 3.88Å; V588-L592 HydrophobicContact CG1-CG 4.27Å; V588-L592 WeakPolarHBondContact O-CB 3.14Å; V588-L592 VanDerWaalsContact O-CG 3.31Å; V588-L592 WeakPolarHBondContact O-CG 3.19Å; V588-L592 PolarHBondContact O-N 3.22Å; N589-L592 PolarHBondContact O-N 3Å; S590-L592 PolarHBondContact O-N 3.45Å; L592-K596 WeakPolarHBondContact O-CB 3.48Å; L592-K596 WeakPolarHBondContact O-CG 3.42Å; L592-K596 PolarHBondContact O-N 3.41Å; L592-L637 HydrophobicContact CD2-CD1 4.22Å; L592-E656 HydrophobicContact CD2-CG 4.16Å
593	H	94.8	Very high	92	Very high	44 Å²	44	38 Å²	38	20%	0.204	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-49.3	172	179.6	69.8	0	0	0	111.2	N589 S590 F591 G597 T983 P984 G986 Y987	N589-H593 WeakPolarHBondContact O-CB 3.43Å; N589-H593 PolarHBondContact O-N 3.29Å; S590-H593 WeakPolarHBondContact O-CB 3.48Å; S590-H593 PolarHBondContact O-N 2.82Å; F591-H593 VanDerWaalsContact C-N 3.3Å; F591-H593 PolarHBondContact O-N 2.86Å; H593-G597 PolarHBondContact O-N 2.97Å; H593-T983 PolarHBondContact CE1-O 3.43Å; H593-T983 PolarHBondContact NE2-O 3.16Å; H593-P984 PolarHBondContact CE1-O 2.84Å; H593-G986 PolarHBondContact NE2-N 3.2Å; H593-G986 PolarHBondContact NE2-O 3.23Å; H593-Y987 HydrophobicContact CB-CE2 4.43Å; H593-Y987 AromaticContact CD2-CE2 3.63Å; H593-Y987 AromaticContact CD2-CZ 3.79Å
594	A	97.8	Very high	92.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-44.2	176.2	0	0	0	0	0	112.5	S590 F591 K596 G597 Y598 Y987 M1004 L1009 F1013	S590-A594 PolarHBondContact O-N 3Å; S590-A594 VanDerWaalsContact O-N 3.1Å; F591-A594 PolarHBondContact O-N 3.25Å; A594-K596 PolarHBondContact O-N 3.5Å; A594-G597 PolarHBondContact O-N 3.44Å; A594-Y598 PolarHBondContact O-N 3Å; A594-Y987 HydrophobicContact CB-CD2 3.89Å; A594-Y987 HydrophobicContact CB-CE2 3.96Å; A594-M1004 HydrophobicContact CB-CE 4.2Å; A594-M1004 HydrophobicContact CB-SD 3.88Å; A594-L1009 HydrophobicContact CB-CD1 3.95Å; A594-L1009 HydrophobicContact CB-CD2 4.19Å; A594-L1009 HydrophobicContact CB-CG 4.08Å; A594-F1013 HydrophobicContact CB-CE2 4.26Å
595	W	95.5	Very high	93.1	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.011	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-43.1	-179.9	-174	-102.6	0	0	0	112.4	F591 G597 Y598 K599 W603 L625 L632 A660 L1009	F591-W595 HydrophobicContact CD1-CB 4.37Å; F591-W595 HydrophobicContact CE1-CB 4.04Å; F591-W595 HydrophobicContact CE1-CD2 4.34Å; F591-W595 HydrophobicContact CE1-CE3 4.38Å; F591-W595 HydrophobicContact CE1-CG 4.22Å; F591-W595 HydrophobicContact CZ-CD2 4.47Å; F591-W595 HydrophobicContact CZ-CE3 4.06Å; F591-W595 WeakPolarHBondContact O-CB 3.08Å; F591-W595 PolarHBondContact O-N 3.09Å; W595-G597 VanDerWaalsContact C-N 3.32Å; W595-G597 PolarHBondContact O-N 2.93Å; W595-Y598 HydrophobicContact CE3-CD1 4.37Å; W595-Y598 HydrophobicContact CZ3-CD1 4.26Å; W595-Y598 HydrophobicContact CZ3-CE1 4.5Å; W595-Y598 PolarHBondContact O-N 3.12Å; W595-K599 WeakPolarHBondContact O-CB 3.21Å; W595-K599 PolarHBondContact O-N 2.79Å; W595-W603 HydrophobicContact CH2-CZ3 4.09Å; W595-W603 AromaticContact CZ2-CH2 3.87Å; W595-W603 HydrophobicContact CZ2-CH2 3.87Å; W595-W603 AromaticContact CZ2-CZ3 3.57Å; W595-W603 HydrophobicContact CZ2-CZ3 3.57Å; W595-L625 HydrophobicContact CH2-CG 4.36Å; W595-L632 HydrophobicContact CH2-CD1 3.78Å; W595-L632 HydrophobicContact CZ2-CD1 3.8Å; W595-L632 HydrophobicContact CZ3-CD1 4.34Å; W595-A660 HydrophobicContact CH2-CB 4.17Å; W595-A660 HydrophobicContact CZ2-CB 4.03Å; W595-L1009 HydrophobicContact CB-CD2 4.26Å; W595-L1009 HydrophobicContact CE3-CD2 3.69Å; W595-L1009 HydrophobicContact CZ3-CD2 4.49Å
596	K	94.3	Very high	94	Very high	141 Å²	141	35.2 Å²	35.2	61%	0.613	18%	0.182	S	C	*	.	H	α-helix	trans	-61.4	-41	176	-77.2	173	-176.4	-178.5	0	112	L592 A594 K599 A600	L592-K596 WeakPolarHBondContact O-CB 3.48Å; L592-K596 WeakPolarHBondContact O-CG 3.42Å; L592-K596 PolarHBondContact O-N 3.41Å; A594-K596 PolarHBondContact O-N 3.5Å; K596-K599 PolarHBondContact O-N 3.17Å; K596-A600 WeakPolarHBondContact O-CB 3.43Å; K596-A600 PolarHBondContact O-N 3.39Å
597	G	97.3	Very high	94.5	Very high	5 Å²	5	34.3 Å²	34.3	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-65.9	-43.7	175.1	0	0	0	0	0	113.2	H593 A594 W595 K599 A600 F601 S985	H593-G597 PolarHBondContact O-N 2.97Å; A594-G597 PolarHBondContact O-N 3.44Å; W595-G597 VanDerWaalsContact C-N 3.32Å; W595-G597 PolarHBondContact O-N 2.93Å; G597-K599 PolarHBondContact O-N 3.21Å; G597-A600 PolarHBondContact O-N 3.07Å; G597-F601 VanDerWaalsContact O-CD2 3.28Å; G597-F601 WeakPolarHBondContact O-CD2 3.39Å; G597-F601 PolarHBondContact O-N 2.9Å; G597-F601 VanDerWaalsContact O-N 3.09Å; G597-S985 VanDerWaalsContact CA-O 3.25Å; G597-S985 WeakPolarHBondContact CA-O 3.31Å
598	Y	97.8	Very high	94.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.2	-48.7	173.1	173	-103	0	0	0	111.1	A594 W595 A600 F601 A602 W603 G604 E605 L608 T624 L625	A594-Y598 PolarHBondContact O-N 3Å; W595-Y598 HydrophobicContact CE3-CD1 4.37Å; W595-Y598 HydrophobicContact CZ3-CD1 4.26Å; W595-Y598 HydrophobicContact CZ3-CE1 4.5Å; W595-Y598 PolarHBondContact O-N 3.12Å; Y598-A600 VanDerWaalsContact C-N 3.27Å; Y598-A600 PolarHBondContact O-N 3.48Å; Y598-F601 PolarHBondContact O-N 2.92Å; Y598-A602 HydrophobicContact CD2-CB 3.72Å; Y598-A602 HydrophobicContact CE2-CB 3.88Å; Y598-A602 WeakPolarHBondContact CE2-O 3.49Å; Y598-A602 CarbonylContact O-C 3.58Å; Y598-A602 VanDerWaalsContact O-C 3.23Å; Y598-A602 WeakPolarHBondContact O-CA 3.32Å; Y598-A602 PolarHBondContact O-N 2.84Å; Y598-A602 PolarHBondContact OH-O 3.26Å; Y598-W603 HydrophobicContact CD1-CE3 4Å; Y598-W603 HydrophobicContact CD1-CZ3 4.3Å; Y598-W603 AromaticContact CE1-CE3 3.77Å; Y598-W603 HydrophobicContact CE1-CE3 3.77Å; Y598-W603 HydrophobicContact CE1-CZ3 4.11Å; Y598-W603 PolarHBondContact O-N 2.87Å; Y598-G604 PolarHBondContact OH-N 3.39Å; Y598-E605 WeakPolarHBondContact CE2-O 3.38Å; Y598-E605 PolarHBondContact OH-O 3.25Å; Y598-L608 HydrophobicContact CD2-CB 4.44Å; Y598-T624 HydrophobicContact CD1-CG2 4.04Å; Y598-T624 HydrophobicContact CD2-CG2 3.66Å; Y598-T624 HydrophobicContact CE1-CG2 4.06Å; Y598-T624 HydrophobicContact CE2-CG2 3.68Å; Y598-T624 HydrophobicContact CG-CG2 3.86Å; Y598-L625 HydrophobicContact CE1-CB 4.16Å
599	K	95.9	Very high	95.3	Very high	87 Å²	87	34.6 Å²	34.6	38%	0.378	18%	0.175	S	C	.	.	H	α-helix	trans	-59.4	-35.1	175.9	-174.2	178.9	179.5	-176.4	0	113.3	W595 K596 G597 W603 E659	W595-K599 WeakPolarHBondContact O-CB 3.21Å; W595-K599 PolarHBondContact O-N 2.79Å; K596-K599 PolarHBondContact O-N 3.17Å; G597-K599 PolarHBondContact O-N 3.21Å; K599-W603 HydrophobicContact CB-CE3 3.88Å; K599-W603 HydrophobicContact CB-CZ3 4.28Å; K599-W603 HydrophobicContact CG-CD2 4.15Å; K599-W603 HydrophobicContact CG-CE3 3.86Å; K599-W603 HydrophobicContact CG-CZ3 4.26Å; K599-W603 WeakPolarHBondContact O-CB 3.22Å; K599-E659 WeakPolarHBondContact CE-OE2 3.14Å; K599-E659 IonicContact NZ-OE1 3.57Å; K599-E659 PolarHBondContact NZ-OE1 2.49Å; K599-E659 IonicContact NZ-OE2 2.78Å; K599-E659 PolarHBondContact NZ-OE2 2.57Å
600	A	97.2	Very high	95.8	Very high	64 Å²	64	30.5 Å²	30.5	53%	0.529	15%	0.153	S	C	.	.	H	α-helix	trans	-76	-32.7	-179	0	0	0	0	0	113.5	K596 G597 Y598	K596-A600 WeakPolarHBondContact O-CB 3.43Å; K596-A600 PolarHBondContact O-N 3.39Å; G597-A600 PolarHBondContact O-N 3.07Å; Y598-A600 VanDerWaalsContact C-N 3.27Å; Y598-A600 PolarHBondContact O-N 3.48Å
601	F	97.8	Very high	95.8	Very high	80 Å²	80	34.2 Å²	34.2	35%	0.351	18%	0.176	S	C	.	.	H	α-helix	trans	-130.5	-8.5	-164.3	-55.8	-61.4	0	0	0	115.4	G597 Y598 L608 N613 T614 S615 S985	G597-F601 VanDerWaalsContact O-CD2 3.28Å; G597-F601 WeakPolarHBondContact O-CD2 3.39Å; G597-F601 PolarHBondContact O-N 2.9Å; G597-F601 VanDerWaalsContact O-N 3.09Å; Y598-F601 PolarHBondContact O-N 2.92Å; F601-L608 HydrophobicContact CB-CD1 3.66Å; F601-N613 HydrophobicContact CB-CB 4.43Å; F601-N613 HydrophobicContact CD1-CB 3.68Å; F601-N613 HydrophobicContact CD2-CB 3.99Å; F601-N613 HydrophobicContact CE1-CB 3.83Å; F601-N613 HydrophobicContact CE2-CB 4.15Å; F601-N613 HydrophobicContact CG-CB 3.76Å; F601-N613 HydrophobicContact CZ-CB 4.07Å; F601-T614 CarbonylContact O-C 3.56Å; F601-S615 PolarHBondContact O-N 3.05Å; F601-S985 VanDerWaalsContact CE2-OG 3.27Å; F601-S985 WeakPolarHBondContact CE2-OG 3.43Å
602	A	96.9	Very high	95.8	Very high	2 Å²	2	37 Å²	37	2%	0.017	20%	0.199	C	C	.	.			trans	-149.3	24.6	-176.9	0	0	0	0	0	112.8	Y598 G604 E605 L608	Y598-A602 HydrophobicContact CD2-CB 3.72Å; Y598-A602 HydrophobicContact CE2-CB 3.88Å; Y598-A602 WeakPolarHBondContact CE2-O 3.49Å; Y598-A602 CarbonylContact O-C 3.58Å; Y598-A602 VanDerWaalsContact O-C 3.23Å; Y598-A602 WeakPolarHBondContact O-CA 3.32Å; Y598-A602 PolarHBondContact O-N 2.84Å; Y598-A602 PolarHBondContact OH-O 3.26Å; A602-G604 PolarHBondContact O-N 3.05Å; A602-E605 HydrophobicContact CB-CB 4.28Å; A602-E605 WeakPolarHBondContact O-CB 3.48Å; A602-E605 PolarHBondContact O-N 2.76Å; A602-L608 HydrophobicContact CB-CB 4.15Å; A602-L608 HydrophobicContact CB-CD1 3.99Å
603	W	96.7	Very high	96.2	Very high	66 Å²	66	38.7 Å²	38.7	25%	0.25	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	124	-177.8	-172	-111.2	0	0	0	111.9	W595 Y598 K599 E605 L625 E659 A660 E663	W595-W603 HydrophobicContact CH2-CZ3 4.09Å; W595-W603 AromaticContact CZ2-CH2 3.87Å; W595-W603 HydrophobicContact CZ2-CH2 3.87Å; W595-W603 AromaticContact CZ2-CZ3 3.57Å; W595-W603 HydrophobicContact CZ2-CZ3 3.57Å; Y598-W603 HydrophobicContact CD1-CE3 4Å; Y598-W603 HydrophobicContact CD1-CZ3 4.3Å; Y598-W603 AromaticContact CE1-CE3 3.77Å; Y598-W603 HydrophobicContact CE1-CE3 3.77Å; Y598-W603 HydrophobicContact CE1-CZ3 4.11Å; Y598-W603 PolarHBondContact O-N 2.87Å; K599-W603 HydrophobicContact CB-CE3 3.88Å; K599-W603 HydrophobicContact CB-CZ3 4.28Å; K599-W603 HydrophobicContact CG-CD2 4.15Å; K599-W603 HydrophobicContact CG-CE3 3.86Å; K599-W603 HydrophobicContact CG-CZ3 4.26Å; K599-W603 WeakPolarHBondContact O-CB 3.22Å; W603-E605 PolarHBondContact O-N 2.96Å; W603-L625 HydrophobicContact CE3-CD1 4.43Å; W603-L625 HydrophobicContact CH2-CD1 3.99Å; W603-L625 HydrophobicContact CZ2-CD1 4.06Å; W603-L625 HydrophobicContact CZ3-CD1 4.17Å; W603-E659 HydrophobicContact CH2-CB 4.27Å; W603-E659 HydrophobicContact CZ2-CB 4.18Å; W603-A660 HydrophobicContact CH2-CB 4.15Å; W603-E663 HydrophobicContact CZ2-CB 3.78Å; W603-E663 HydrophobicContact CZ2-CG 4.1Å; W603-E663 VanDerWaalsContact NE1-CD 3.33Å; W603-E663 PolarHBondContact NE1-OE2 3.1Å
604	G	92.3	Very high	96.3	Very high	15 Å²	15	39.8 Å²	39.8	16%	0.155	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-6.5	-175	0	0	0	0	0	114.3	Y598 A602 Q622	Y598-G604 PolarHBondContact OH-N 3.39Å; A602-G604 PolarHBondContact O-N 3.05Å; G604-Q622 WeakPolarHBondContact O-CG 3.35Å
605	E	94.2	Very high	96.2	Very high	76 Å²	76	41.9 Å²	41.9	36%	0.355	23%	0.233	S	C	.	.	S	Bend	trans	-91.5	169.2	174.5	-59.3	-67.9	158.8	0	0	110.6	Y598 A602 W603	Y598-E605 WeakPolarHBondContact CE2-O 3.38Å; Y598-E605 PolarHBondContact OH-O 3.25Å; A602-E605 HydrophobicContact CB-CB 4.28Å; A602-E605 WeakPolarHBondContact O-CB 3.48Å; A602-E605 PolarHBondContact O-N 2.76Å; W603-E605 PolarHBondContact O-N 2.96Å
606	D	94	Very high	96.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-76.2	-45.3	-171.6	-64	-42.4	0	0	0	113.5	W618 F619 N620 M621 Q622 L623 T624	D606-W618 HydrophobicContact CB-CB 4.23Å; D606-W618 VanDerWaalsContact OD2-C 3.31Å; D606-W618 WeakPolarHBondContact OD2-CA 3.3Å; D606-W618 PolarHBondContact OD2-N 3.09Å; D606-F619 PolarHBondContact OD2-N 2.97Å; D606-N620 WeakPolarHBondContact OD2-CA 3.34Å; D606-N620 PolarHBondContact OD2-N 3.24Å; D606-M621 PolarHBondContact OD1-N 3.36Å; D606-M621 VanDerWaalsContact OD1-N 3.09Å; D606-Q622 PolarHBondContact OD1-N 3.12Å; D606-L623 HydrophobicContact CB-CB 3.76Å; D606-L623 WeakPolarHBondContact OD1-CB 3.32Å; D606-L623 PolarHBondContact OD1-N 3.41Å; D606-T624 WeakPolarHBondContact O-CB 3.44Å; D606-T624 PolarHBondContact O-N 2.97Å; D606-T624 PolarHBondContact O-OG1 3.35Å
607	E	95.7	Very high	96	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.8	-176.3	-67.4	-177.6	125.2	0	0	112.2	S615 I616 K1003 S1006	E607-S615 CarbonylContact O-C 3.43Å; E607-S615 WeakPolarHBondContact O-CA 3.38Å; E607-I616 HydrophobicContact CB-CB 4.19Å; E607-I616 PolarHBondContact N-O 3.09Å; E607-I616 PolarHBondContact O-N 2.71Å; E607-K1003 VanDerWaalsContact CD-NZ 3.32Å; E607-K1003 WeakPolarHBondContact OE1-CE 3.46Å; E607-K1003 IonicContact OE1-NZ 3.66Å; E607-K1003 PolarHBondContact OE1-NZ 3.47Å; E607-K1003 WeakPolarHBondContact OE2-CE 3.43Å; E607-K1003 IonicContact OE2-NZ 3.07Å; E607-K1003 PolarHBondContact OE2-NZ 2.92Å; E607-S1006 PolarHBondContact OE1-N 3.32Å
608	L	97.6	Very high	95.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	138.1	180	175.4	65.9	0	0	0	111	Y598 F601 A602 P610 S985 M1004	Y598-L608 HydrophobicContact CD2-CB 4.44Å; F601-L608 HydrophobicContact CB-CD1 3.66Å; A602-L608 HydrophobicContact CB-CB 4.15Å; A602-L608 HydrophobicContact CB-CD1 3.99Å; L608-P610 HydrophobicContact CD2-CB 4.06Å; L608-P610 HydrophobicContact CG-CB 4.25Å; L608-P610 VanDerWaalsContact O-CD 3.28Å; L608-P610 WeakPolarHBondContact O-CD 3.4Å; L608-S985 VanDerWaalsContact CD2-O 3.25Å; L608-S985 WeakPolarHBondContact CD2-O 3.47Å; L608-M1004 HydrophobicContact CB-CB 4.34Å; L608-M1004 HydrophobicContact CB-CE 3.93Å; L608-M1004 HydrophobicContact CD2-CE 3.64Å; L608-M1004 HydrophobicContact CD2-SD 4.31Å; L608-M1004 HydrophobicContact CG-CE 4.37Å; L608-M1004 PolarHBondContact O-N 3.42Å
609	N	97.8	Very high	94.7	Very high	18 Å²	18	45.3 Å²	45.3	10%	0.096	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	99	157.6	-179.6	-11.9	0	0	0	109.3	V611 A612 N613 T614 I616 P1002	N609-V611 PolarHBondContact O-N 3.22Å; N609-V611 PolarHBondContact OD1-N 3.37Å; N609-A612 VanDerWaalsContact ND2-CB 3.32Å; N609-A612 WeakPolarHBondContact ND2-CB 3.39Å; N609-A612 PolarHBondContact OD1-N 2.61Å; N609-N613 WeakPolarHBondContact O-CA 3.38Å; N609-N613 PolarHBondContact O-N 2.87Å; N609-T614 WeakPolarHBondContact CB-O 3.44Å; N609-T614 PolarHBondContact N-O 3.12Å; N609-T614 PolarHBondContact ND2-OG1 3.02Å; N609-T614 PolarHBondContact O-N 3.05Å; N609-I616 HydrophobicContact CB-CD1 4.02Å; N609-I616 HydrophobicContact CB-CG1 4.11Å; N609-P1002 WeakPolarHBondContact ND2-CB 3.39Å; N609-P1002 PolarHBondContact ND2-O 3.48Å; N609-P1002 WeakPolarHBondContact OD1-CA 3.48Å; N609-P1002 WeakPolarHBondContact OD1-CB 3.45Å; N609-P1002 PolarHBondContact OD1-O 3.32Å
610	P	96.8	Very high	94.3	Very high	2 Å²	2	45 Å²	45	1%	0.013	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-1	-172	37.6	-42.2	0	0	0	113.1	L608 T983 Y987 C988 M1004	L608-P610 HydrophobicContact CD2-CB 4.06Å; L608-P610 HydrophobicContact CG-CB 4.25Å; L608-P610 VanDerWaalsContact O-CD 3.28Å; L608-P610 WeakPolarHBondContact O-CD 3.4Å; P610-T983 HydrophobicContact CB-CG2 4.32Å; P610-T983 WeakPolarHBondContact CB-OG1 3.2Å; P610-T983 HydrophobicContact CG-CG2 4.34Å; P610-T983 PolarHBondContact O-OG1 3.37Å; P610-Y987 WeakPolarHBondContact CG-O 3.49Å; P610-C988 HydrophobicContact CG-CB 4.01Å; P610-M1004 HydrophobicContact CG-CB 4.07Å
611	V	95.7	Very high	94	Very high	82 Å²	82	42 Å²	42	50%	0.497	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-46.9	176.8	-179.9	0	0	0	0	110.2	N609 C988 C1000	N609-V611 PolarHBondContact O-N 3.22Å; N609-V611 PolarHBondContact OD1-N 3.37Å; V611-C988 HydrophobicContact CG2-CB 4.29Å; V611-C1000 HydrophobicContact CG2-CB 3.54Å
612	A	96.4	Very high	93.8	Very high	59 Å²	59	38.7 Å²	38.7	49%	0.488	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.7	178.9	0	0	0	0	0	113.5	N609 T614	N609-A612 VanDerWaalsContact ND2-CB 3.32Å; N609-A612 WeakPolarHBondContact ND2-CB 3.39Å; N609-A612 PolarHBondContact OD1-N 2.61Å; A612-T614 VanDerWaalsContact C-N 3.33Å; A612-T614 PolarHBondContact O-N 2.98Å
613	N	97	Very high	93.7	Very high	65 Å²	65	38.6 Å²	38.6	35%	0.348	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	49.5	-176.6	-65.8	-23.3	0	0	0	112.2	F601 N609 S985	F601-N613 HydrophobicContact CB-CB 4.43Å; F601-N613 HydrophobicContact CD1-CB 3.68Å; F601-N613 HydrophobicContact CD2-CB 3.99Å; F601-N613 HydrophobicContact CE1-CB 3.83Å; F601-N613 HydrophobicContact CE2-CB 4.15Å; F601-N613 HydrophobicContact CG-CB 3.76Å; F601-N613 HydrophobicContact CZ-CB 4.07Å; N609-N613 WeakPolarHBondContact O-CA 3.38Å; N609-N613 PolarHBondContact O-N 2.87Å; N613-S985 WeakPolarHBondContact OD1-CB 3.47Å; N613-S985 PolarHBondContact OD1-OG 2.6Å
614	T	97.4	Very high	93.7	Very high	67 Å²	67	35.5 Å²	35.5	41%	0.411	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	163	-179.8	44	0	0	0	0	110.2	F601 N609 A612	F601-T614 CarbonylContact O-C 3.56Å; N609-T614 WeakPolarHBondContact CB-O 3.44Å; N609-T614 PolarHBondContact N-O 3.12Å; N609-T614 PolarHBondContact ND2-OG1 3.02Å; N609-T614 PolarHBondContact O-N 3.05Å; A612-T614 VanDerWaalsContact C-N 3.33Å; A612-T614 PolarHBondContact O-N 2.98Å
615	S	95.8	Very high	93.8	Very high	45 Å²	45	34.8 Å²	34.8	32%	0.315	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	157.3	171.6	58.6	0	0	0	0	112.4	F601 E607	F601-S615 PolarHBondContact O-N 3.05Å; E607-S615 CarbonylContact O-C 3.43Å; E607-S615 WeakPolarHBondContact O-CA 3.38Å
616	I	94.6	Very high	94	Very high	46 Å²	46	31.1 Å²	31.1	24%	0.236	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	108.8	171.4	-58.9	168.5	0	0	0	107.2	E607 N609 P1002 K1003	E607-I616 HydrophobicContact CB-CB 4.19Å; E607-I616 PolarHBondContact N-O 3.09Å; E607-I616 PolarHBondContact O-N 2.71Å; N609-I616 HydrophobicContact CB-CD1 4.02Å; N609-I616 HydrophobicContact CB-CG1 4.11Å; I616-P1002 WeakPolarHBondContact CD1-O 3.35Å; I616-K1003 HydrophobicContact CD1-CB 4.08Å; I616-K1003 HydrophobicContact CD1-CG 3.9Å
617	P	90.8	Very high	94.1	Very high	82 Å²	82	31.1 Å²	31.1	53%	0.532	18%	0.18	S	C	.	.			trans	-77.2	142.7	177.6	30.3	-33.7	0	0	0	111.2	N620	P617-N620 WeakPolarHBondContact CB-OD1 3Å
618	W	86.1	Confident	94.1	Very high	91 Å²	91	31 Å²	31	35%	0.345	18%	0.18	S	C	.	.	S	Bend	trans	-140.1	-77.5	177	-174.2	23.4	0	0	0	112.9	D606 L623 K674 E680 R684	D606-W618 HydrophobicContact CB-CB 4.23Å; D606-W618 VanDerWaalsContact OD2-C 3.31Å; D606-W618 WeakPolarHBondContact OD2-CA 3.3Å; D606-W618 PolarHBondContact OD2-N 3.09Å; W618-L623 HydrophobicContact CE3-CD2 3.63Å; W618-L623 HydrophobicContact CZ3-CD2 3.75Å; W618-K674 PolarHBondContact O-NZ 3.37Å; W618-E680 HydrophobicContact CH2-CG 4.46Å; W618-E680 WeakPolarHBondContact CH2-OE2 3.29Å; W618-E680 HydrophobicContact CZ2-CG 4.46Å; W618-R684 VanDerWaalsContact CH2-NH1 3.34Å; W618-R684 VanDerWaalsContact CZ3-NH1 3.28Å
619	F	81.5	Confident	93.9	Very high	2 Å²	2	31 Å²	31	1%	0.009	18%	0.18	C	C	.	.	S	Bend	trans	-80.1	-24.4	174.4	-66.4	-64.8	0	0	0	113	D606 M621 L623 F676 E680 V681	D606-F619 PolarHBondContact OD2-N 2.97Å; F619-M621 HydrophobicContact CB-CB 3.94Å; F619-M621 HydrophobicContact CB-CG 4.09Å; F619-M621 PolarHBondContact O-N 3.31Å; F619-L623 HydrophobicContact CD2-CB 4.31Å; F619-L623 HydrophobicContact CD2-CD1 3.88Å; F619-L623 HydrophobicContact CD2-CD2 3.85Å; F619-L623 HydrophobicContact CD2-CG 4.21Å; F619-L623 HydrophobicContact CE2-CD1 4.03Å; F619-L623 HydrophobicContact CE2-CD2 3.89Å; F619-F676 VanDerWaalsContact CA-CE1 3.48Å; F619-F676 HydrophobicContact CB-CE1 4.4Å; F619-F676 HydrophobicContact CD1-CB 4.01Å; F619-F676 AromaticContact CD1-CD1 3.6Å; F619-F676 HydrophobicContact CD1-CD1 3.6Å; F619-F676 HydrophobicContact CD1-CE1 4.3Å; F619-F676 AromaticContact CD1-CG 3.94Å; F619-F676 HydrophobicContact CD1-CG 3.94Å; F619-F676 HydrophobicContact CE1-CB 4.15Å; F619-F676 HydrophobicContact CE1-CD1 4.31Å; F619-F676 WeakPolarHBondContact O-CE1 3.39Å; F619-F676 WeakPolarHBondContact O-CZ 3.48Å; F619-E680 HydrophobicContact CE1-CB 3.93Å; F619-E680 HydrophobicContact CE2-CB 4.37Å; F619-E680 HydrophobicContact CZ-CB 3.39Å; F619-E680 HydrophobicContact CZ-CG 4.17Å; F619-V681 HydrophobicContact CD1-CG2 3.82Å; F619-V681 HydrophobicContact CE1-CG2 3.85Å
620	N	87.5	Confident	93.7	Very high	79 Å²	79	30.1 Å²	30.1	42%	0.422	18%	0.175	S	C	.	.	S	Bend	trans	53.1	43.3	-164.7	-55	-27.1	0	0	0	111.3	D606 P617 V672	D606-N620 WeakPolarHBondContact OD2-CA 3.34Å; D606-N620 PolarHBondContact OD2-N 3.24Å; P617-N620 WeakPolarHBondContact CB-OD1 3Å; N620-V672 HydrophobicContact CB-CG1 4.45Å
621	M	90.9	Very high	93.6	Very high	2 Å²	2	30 Å²	30	1%	0.01	17%	0.174	C	C	.	.	S	Bend	trans	-128.4	22.4	-175.8	-71	-166.3	-178.6	0	0	112.6	D606 F619 L623 I626 F668 V672 F676 V681 P729	D606-M621 PolarHBondContact OD1-N 3.36Å; D606-M621 VanDerWaalsContact OD1-N 3.09Å; F619-M621 HydrophobicContact CB-CB 3.94Å; F619-M621 HydrophobicContact CB-CG 4.09Å; F619-M621 PolarHBondContact O-N 3.31Å; M621-L623 VanDerWaalsContact C-N 3.33Å; M621-L623 PolarHBondContact O-N 2.75Å; M621-I626 WeakPolarHBondContact O-CD1 3.44Å; M621-F668 HydrophobicContact CB-CE2 4.23Å; M621-V672 HydrophobicContact CE-CB 4.17Å; M621-V672 HydrophobicContact CE-CG2 4.1Å; M621-V672 HydrophobicContact CG-CG2 4.32Å; M621-F676 HydrophobicContact CE-CD2 4.16Å; M621-F676 HydrophobicContact CE-CE2 3.9Å; M621-V681 HydrophobicContact SD-CG1 4.4Å; M621-P729 HydrophobicContact CE-CB 4.27Å; M621-P729 HydrophobicContact CE-CG 3.84Å
622	Q	93.8	Very high	93.3	Very high	11 Å²	11	26.2 Å²	26.2	5%	0.051	15%	0.151	C	C	.	.			trans	59.3	41.1	-178.6	-43	-175.2	-27.6	0	0	112.4	G604 D606 T624 L625 I626 I664	G604-Q622 WeakPolarHBondContact O-CG 3.35Å; D606-Q622 PolarHBondContact OD1-N 3.12Å; Q622-T624 PolarHBondContact O-N 3.25Å; Q622-L625 HydrophobicContact CB-CB 4.19Å; Q622-L625 WeakPolarHBondContact O-CB 3.29Å; Q622-L625 PolarHBondContact O-N 3.11Å; Q622-L625 VanDerWaalsContact O-N 3.07Å; Q622-I626 PolarHBondContact O-N 3.1Å; Q622-I664 VanDerWaalsContact OE1-CG1 3.3Å
623	L	95	Very high	92.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-49.5	-60.7	-169	-179.1	68.5	0	0	0	113.6	D606 W618 F619 M621 L625 I626 E627 R684 V685	D606-L623 HydrophobicContact CB-CB 3.76Å; D606-L623 WeakPolarHBondContact OD1-CB 3.32Å; D606-L623 PolarHBondContact OD1-N 3.41Å; W618-L623 HydrophobicContact CE3-CD2 3.63Å; W618-L623 HydrophobicContact CZ3-CD2 3.75Å; F619-L623 HydrophobicContact CD2-CB 4.31Å; F619-L623 HydrophobicContact CD2-CD1 3.88Å; F619-L623 HydrophobicContact CD2-CD2 3.85Å; F619-L623 HydrophobicContact CD2-CG 4.21Å; F619-L623 HydrophobicContact CE2-CD1 4.03Å; F619-L623 HydrophobicContact CE2-CD2 3.89Å; M621-L623 VanDerWaalsContact C-N 3.33Å; M621-L623 PolarHBondContact O-N 2.75Å; L623-L625 PolarHBondContact O-N 2.64Å; L623-I626 PolarHBondContact O-N 3.31Å; L623-E627 HydrophobicContact CD1-CG 3.87Å; L623-E627 WeakPolarHBondContact CD1-OE2 3.43Å; L623-E627 HydrophobicContact CG-CG 4.38Å; L623-E627 VanDerWaalsContact CG-OE2 3.26Å; L623-E627 WeakPolarHBondContact CG-OE2 3.46Å; L623-E627 WeakPolarHBondContact O-CG 3.16Å; L623-E627 PolarHBondContact O-N 3.41Å; L623-R684 HydrophobicContact CD1-CB 3.77Å; L623-R684 HydrophobicContact CD1-CG 4.48Å; L623-V685 HydrophobicContact CD1-CG2 4.21Å
624	T	96.5	Very high	91.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56.2	-37.2	-179	-71.2	0	0	0	0	112	Y598 D606 Q622 S628 S1006	Y598-T624 HydrophobicContact CD1-CG2 4.04Å; Y598-T624 HydrophobicContact CD2-CG2 3.66Å; Y598-T624 HydrophobicContact CE1-CG2 4.06Å; Y598-T624 HydrophobicContact CE2-CG2 3.68Å; Y598-T624 HydrophobicContact CG-CG2 3.86Å; D606-T624 WeakPolarHBondContact O-CB 3.44Å; D606-T624 PolarHBondContact O-N 2.97Å; D606-T624 PolarHBondContact O-OG1 3.35Å; Q622-T624 PolarHBondContact O-N 3.25Å; T624-S628 WeakPolarHBondContact O-CB 3.4Å; T624-S628 PolarHBondContact O-N 3.2Å; T624-S628 VanDerWaalsContact O-N 3.15Å; T624-S628 PolarHBondContact O-OG 3.09Å; T624-S1006 WeakPolarHBondContact OG1-CB 3.41Å
625	L	95.7	Very high	91	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.6	-49.6	-179.4	-167	163.2	0	0	0	110.8	W595 Y598 W603 Q622 L623 S628 L629 A660 E663 I664	W595-L625 HydrophobicContact CH2-CG 4.36Å; Y598-L625 HydrophobicContact CE1-CB 4.16Å; W603-L625 HydrophobicContact CE3-CD1 4.43Å; W603-L625 HydrophobicContact CH2-CD1 3.99Å; W603-L625 HydrophobicContact CZ2-CD1 4.06Å; W603-L625 HydrophobicContact CZ3-CD1 4.17Å; Q622-L625 HydrophobicContact CB-CB 4.19Å; Q622-L625 WeakPolarHBondContact O-CB 3.29Å; Q622-L625 PolarHBondContact O-N 3.11Å; Q622-L625 VanDerWaalsContact O-N 3.07Å; L623-L625 PolarHBondContact O-N 2.64Å; L625-S628 PolarHBondContact O-N 2.67Å; L625-L629 HydrophobicContact CD2-CD2 4.47Å; L625-L629 PolarHBondContact O-N 2.96Å; L625-A660 HydrophobicContact CD2-CB 3.73Å; L625-A660 WeakPolarHBondContact CD2-O 3.22Å; L625-A660 HydrophobicContact CG-CB 3.99Å; L625-E663 HydrophobicContact CD1-CB 3.81Å; L625-E663 HydrophobicContact CD1-CG 3.47Å; L625-E663 VanDerWaalsContact CD1-CG 3.47Å; L625-I664 HydrophobicContact CD2-CD1 3.13Å; L625-I664 HydrophobicContact CD2-CG1 3.35Å
626	I	96.9	Very high	89.3	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-47.1	180	-70.4	175.6	0	0	0	111.6	M621 Q622 L623 S628 L629 I664 F668 V685 L689	M621-I626 WeakPolarHBondContact O-CD1 3.44Å; Q622-I626 PolarHBondContact O-N 3.1Å; L623-I626 PolarHBondContact O-N 3.31Å; I626-S628 PolarHBondContact O-N 3.33Å; I626-L629 WeakPolarHBondContact O-CB 3.42Å; I626-L629 WeakPolarHBondContact O-CG 3.49Å; I626-L629 PolarHBondContact O-N 3.44Å; I626-I664 HydrophobicContact CG1-CD1 3.97Å; I626-I664 HydrophobicContact CG1-CG1 4.2Å; I626-F668 HydrophobicContact CD1-CD2 3.37Å; I626-F668 HydrophobicContact CD1-CE2 3.35Å; I626-F668 HydrophobicContact CD1-CG 4.16Å; I626-F668 HydrophobicContact CD1-CZ 4.15Å; I626-V685 HydrophobicContact CD1-CG1 3.79Å; I626-V685 HydrophobicContact CG2-CG1 4.36Å; I626-L689 HydrophobicContact CD1-CD2 4.43Å; I626-L689 HydrophobicContact CG2-CD2 4.26Å; I626-L689 HydrophobicContact CG2-CG 3.97Å
627	E	95.8	Very high	87.3	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67	-26	-177.5	-66.5	-173.2	112.5	0	0	112.1	L623 R684 S1006 S1010 H1039	L623-E627 HydrophobicContact CD1-CG 3.87Å; L623-E627 WeakPolarHBondContact CD1-OE2 3.43Å; L623-E627 HydrophobicContact CG-CG 4.38Å; L623-E627 VanDerWaalsContact CG-OE2 3.26Å; L623-E627 WeakPolarHBondContact CG-OE2 3.46Å; L623-E627 WeakPolarHBondContact O-CG 3.16Å; L623-E627 PolarHBondContact O-N 3.41Å; E627-R684 HydrophobicContact CG-CB 4.1Å; E627-R684 WeakPolarHBondContact OE1-CB 3.41Å; E627-R684 WeakPolarHBondContact OE1-CG 3.4Å; E627-R684 IonicContact OE1-CZ 3.98Å; E627-R684 IonicContact OE1-NE 3.85Å; E627-R684 PolarHBondContact OE1-NE 2.95Å; E627-R684 IonicContact OE1-NH2 2.74Å; E627-R684 IonicContact OE2-NE 3.74Å; E627-R684 PolarHBondContact OE2-NE 2.99Å; E627-R684 IonicContact OE2-NH2 3.77Å; E627-S1006 VanDerWaalsContact OE2-CB 3.25Å; E627-S1006 WeakPolarHBondContact OE2-CB 3.3Å; E627-S1006 PolarHBondContact OE2-OG 2.9Å; E627-S1010 WeakPolarHBondContact O-CB 3.42Å; E627-H1039 PolarHBondContact O-CE1 3.38Å
628	S	96.3	Very high	84.6	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-85.7	-8.2	179.5	-60.1	0	0	0	0	114.2	T624 L625 I626 D630 T631 L632 L1009	T624-S628 WeakPolarHBondContact O-CB 3.4Å; T624-S628 PolarHBondContact O-N 3.2Å; T624-S628 VanDerWaalsContact O-N 3.15Å; T624-S628 PolarHBondContact O-OG 3.09Å; L625-S628 PolarHBondContact O-N 2.67Å; I626-S628 PolarHBondContact O-N 3.33Å; S628-D630 VanDerWaalsContact C-N 3.32Å; S628-D630 PolarHBondContact O-N 3.11Å; S628-T631 PolarHBondContact O-N 3.22Å; S628-L632 WeakPolarHBondContact O-CG 3.41Å; S628-L632 PolarHBondContact O-N 3.3Å; S628-L1009 WeakPolarHBondContact OG-CB 3.46Å
629	L	94.6	Very high	81.9	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.1	-45.3	-177.1	-73.1	171.7	0	0	0	112.6	L625 I626 L632 L633 F657 A660 I664 A692 F701	L625-L629 HydrophobicContact CD2-CD2 4.47Å; L625-L629 PolarHBondContact O-N 2.96Å; I626-L629 WeakPolarHBondContact O-CB 3.42Å; I626-L629 WeakPolarHBondContact O-CG 3.49Å; I626-L629 PolarHBondContact O-N 3.44Å; L629-L632 WeakPolarHBondContact O-CB 3.13Å; L629-L632 PolarHBondContact O-N 3.47Å; L629-L633 VanDerWaalsContact O-CG 3.3Å; L629-L633 WeakPolarHBondContact O-CG 3.47Å; L629-L633 PolarHBondContact O-N 3.48Å; L629-F657 HydrophobicContact CB-CE2 4.28Å; L629-F657 HydrophobicContact CD2-CD2 4.22Å; L629-F657 HydrophobicContact CD2-CE2 3.91Å; L629-A660 HydrophobicContact CD2-CB 4.12Å; L629-I664 HydrophobicContact CD1-CD1 3.6Å; L629-I664 HydrophobicContact CD2-CD1 3.78Å; L629-I664 HydrophobicContact CG-CD1 4.02Å; L629-A692 HydrophobicContact CB-CB 3.75Å; L629-A692 HydrophobicContact CD1-CB 3.67Å; L629-A692 HydrophobicContact CG-CB 4.35Å; L629-F701 HydrophobicContact CD1-CD1 3.9Å; L629-F701 HydrophobicContact CD1-CE1 3.65Å; L629-F701 HydrophobicContact CD1-CZ 4.35Å; L629-F701 HydrophobicContact CD2-CE1 4.09Å; L629-F701 HydrophobicContact CD2-CZ 4.22Å
630	D	93.2	Very high	79.4	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-75	-34	180	60.9	13	0	0	0	112.2	S628 L632 L633 I634 S691 L695 K1014 H1039 P1040	S628-D630 VanDerWaalsContact C-N 3.32Å; S628-D630 PolarHBondContact O-N 3.11Å; D630-L632 VanDerWaalsContact C-N 3.31Å; D630-L632 PolarHBondContact O-N 2.86Å; D630-L633 CarbonylContact O-C 3.5Å; D630-L633 PolarHBondContact O-N 3.1Å; D630-L633 VanDerWaalsContact O-N 3.09Å; D630-I634 HydrophobicContact CB-CD1 4.31Å; D630-I634 VanDerWaalsContact O-CB 3.26Å; D630-I634 WeakPolarHBondContact O-CB 3.45Å; D630-I634 VanDerWaalsContact O-CD1 3.28Å; D630-I634 WeakPolarHBondContact O-CD1 3.3Å; D630-I634 WeakPolarHBondContact O-CG1 3.45Å; D630-I634 PolarHBondContact O-N 3.39Å; D630-S691 WeakPolarHBondContact CB-OG 3Å; D630-S691 VanDerWaalsContact CG-OG 3.31Å; D630-S691 VanDerWaalsContact OD2-CB 3.32Å; D630-S691 WeakPolarHBondContact OD2-CB 3.42Å; D630-S691 PolarHBondContact OD2-OG 3.17Å; D630-L695 HydrophobicContact CB-CD1 3.65Å; D630-K1014 WeakPolarHBondContact OD1-CE 3.45Å; D630-K1014 IonicContact OD1-NZ 3.55Å; D630-K1014 PolarHBondContact OD1-NZ 2.92Å; D630-K1014 IonicContact OD2-NZ 2.83Å; D630-K1014 PolarHBondContact OD2-NZ 2.98Å; D630-H1039 IonicContact OD1-ND1 3.15Å; D630-H1039 WeakPolarHBondContact OD2-CA 2.94Å; D630-H1039 IonicContact OD2-CE1 2.7Å; D630-H1039 IonicContact OD2-CG 2.72Å; D630-H1039 IonicContact OD2-ND1 3.66Å; D630-H1039 PolarHBondContact OD2-ND1 2.78Å; D630-P1040 WeakPolarHBondContact OD2-CD 3.31Å
631	T	94	Very high	76.5	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.3	-46.4	170.4	-57.9	0	0	0	0	110.7	F591 S628 L633 I634 M635 L1009 S1010 K1014	F591-T631 HydrophobicContact CD2-CG2 3.67Å; F591-T631 HydrophobicContact CE2-CG2 3.37Å; F591-T631 HydrophobicContact CZ-CG2 4.09Å; S628-T631 PolarHBondContact O-N 3.22Å; T631-L633 VanDerWaalsContact C-N 3.31Å; T631-L633 PolarHBondContact O-N 2.78Å; T631-I634 PolarHBondContact O-N 2.81Å; T631-M635 HydrophobicContact CG2-CE 3.56Å; T631-M635 HydrophobicContact CG2-CG 4.07Å; T631-M635 HydrophobicContact CG2-SD 3.93Å; T631-M635 WeakPolarHBondContact O-CB 3.49Å; T631-M635 WeakPolarHBondContact O-CG 3.36Å; T631-M635 PolarHBondContact O-N 3.46Å; T631-L1009 WeakPolarHBondContact CG2-O 3.23Å; T631-L1009 PolarHBondContact OG1-O 3.26Å; T631-S1010 WeakPolarHBondContact OG1-CA 3.24Å; T631-S1010 PolarHBondContact OG1-O 3.24Å; T631-K1014 HydrophobicContact CG2-CB 4.34Å; T631-K1014 WeakPolarHBondContact OG1-CE 3.35Å
632	L	89.1	Confident	73.5	Confident	1 Å²	1	21.1 Å²	21.1	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-58	-43.5	174.1	-70.1	166.1	0	0	0	111.1	F591 W595 S628 L629 D630 L637 E656 F657 A660	F591-L632 HydrophobicContact CE1-CD2 3.54Å; F591-L632 HydrophobicContact CE1-CG 4.25Å; F591-L632 HydrophobicContact CZ-CD2 3.83Å; F591-L632 HydrophobicContact CZ-CG 4.02Å; W595-L632 HydrophobicContact CH2-CD1 3.78Å; W595-L632 HydrophobicContact CZ2-CD1 3.8Å; W595-L632 HydrophobicContact CZ3-CD1 4.34Å; S628-L632 WeakPolarHBondContact O-CG 3.41Å; S628-L632 PolarHBondContact O-N 3.3Å; L629-L632 WeakPolarHBondContact O-CB 3.13Å; L629-L632 PolarHBondContact O-N 3.47Å; D630-L632 VanDerWaalsContact C-N 3.31Å; D630-L632 PolarHBondContact O-N 2.86Å; L632-L637 HydrophobicContact CD2-CD1 3.78Å; L632-L637 WeakPolarHBondContact O-CB 3.4Å; L632-E656 HydrophobicContact CD2-CB 3.8Å; L632-F657 HydrophobicContact CB-CB 4.23Å; L632-F657 HydrophobicContact CB-CD2 4.03Å; L632-F657 HydrophobicContact CD1-CB 4.46Å; L632-F657 HydrophobicContact CD1-CD2 4.49Å; L632-A660 HydrophobicContact CD1-CB 4.33Å
633	L	82.2	Confident	70.1	Confident	10 Å²	10	28.4 Å²	28.4	5%	0.052	18%	0.182	C	C	.	.	H	α-helix	trans	-67.5	-38	177.1	-68.1	166.8	0	0	0	113.2	L629 D630 T631 K638 F657 L695	L629-L633 VanDerWaalsContact O-CG 3.3Å; L629-L633 WeakPolarHBondContact O-CG 3.47Å; L629-L633 PolarHBondContact O-N 3.48Å; D630-L633 CarbonylContact O-C 3.5Å; D630-L633 PolarHBondContact O-N 3.1Å; D630-L633 VanDerWaalsContact O-N 3.09Å; T631-L633 VanDerWaalsContact C-N 3.31Å; T631-L633 PolarHBondContact O-N 2.78Å; L633-K638 HydrophobicContact CB-CD 4.27Å; L633-K638 HydrophobicContact CD2-CB 4.26Å; L633-K638 HydrophobicContact CD2-CD 3.53Å; L633-K638 HydrophobicContact CD2-CG 3.86Å; L633-F657 HydrophobicContact CD1-CD2 4.42Å; L633-F657 HydrophobicContact CD1-CE2 3.57Å; L633-F657 HydrophobicContact CD1-CZ 3.94Å; L633-F657 HydrophobicContact CD2-CD2 3.87Å; L633-F657 HydrophobicContact CD2-CE1 4.19Å; L633-F657 HydrophobicContact CD2-CE2 3.56Å; L633-F657 HydrophobicContact CD2-CG 4.31Å; L633-F657 HydrophobicContact CD2-CZ 3.69Å; L633-F657 HydrophobicContact CG-CD2 3.76Å; L633-F657 HydrophobicContact CG-CE2 3.39Å; L633-F657 HydrophobicContact CG-CZ 3.97Å; L633-L695 HydrophobicContact CB-CB 4.48Å; L633-L695 HydrophobicContact CB-CD1 4.26Å; L633-L695 HydrophobicContact CD1-CB 3.83Å; L633-L695 HydrophobicContact CD1-CD1 4.4Å
634	I	82.2	Confident	66.8	Low	7 Å²	7	32.6 Å²	32.6	4%	0.036	21%	0.207	C	C	.	.	H	α-helix	trans	-73.4	-42.5	-175.5	-71.6	162.2	0	0	0	111.2	D630 T631 G636 L695 K1014 Y1017 L1018 L1026 L1027 P1040	D630-I634 HydrophobicContact CB-CD1 4.31Å; D630-I634 VanDerWaalsContact O-CB 3.26Å; D630-I634 WeakPolarHBondContact O-CB 3.45Å; D630-I634 VanDerWaalsContact O-CD1 3.28Å; D630-I634 WeakPolarHBondContact O-CD1 3.3Å; D630-I634 WeakPolarHBondContact O-CG1 3.45Å; D630-I634 PolarHBondContact O-N 3.39Å; T631-I634 PolarHBondContact O-N 2.81Å; I634-G636 PolarHBondContact O-N 3.04Å; I634-L695 HydrophobicContact CD1-CD1 4.31Å; I634-L695 HydrophobicContact CG1-CD1 4.01Å; I634-K1014 HydrophobicContact CD1-CD 3.84Å; I634-K1014 HydrophobicContact CD1-CG 4.01Å; I634-Y1017 HydrophobicContact CG2-CD1 4.1Å; I634-Y1017 HydrophobicContact CG2-CE1 4.38Å; I634-L1018 HydrophobicContact CG2-CD2 4.03Å; I634-L1018 HydrophobicContact CG2-CG 4.4Å; I634-L1026 HydrophobicContact CG2-CD2 3.6Å; I634-L1026 HydrophobicContact CG2-CG 4.15Å; I634-L1027 HydrophobicContact CD1-CD1 3.55Å; I634-L1027 HydrophobicContact CG1-CD1 3.81Å; I634-P1040 HydrophobicContact CD1-CG 4.19Å
635	M	77.9	Confident	63.5	Low	7 Å²	7	40.8 Å²	40.8	3%	0.034	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	9.2	-175.1	-73.8	-167.8	176	0	0	114.8	V587 V588 F591 T631 L637 F1013 Y1017	V587-M635 HydrophobicContact CG1-CE 3.7Å; V588-M635 HydrophobicContact CG2-CB 4.18Å; V588-M635 HydrophobicContact CG2-CG 4.33Å; V588-M635 HydrophobicContact CG2-SD 3.96Å; F591-M635 HydrophobicContact CB-CE 3.87Å; F591-M635 HydrophobicContact CB-SD 3.86Å; F591-M635 HydrophobicContact CD1-SD 4.17Å; F591-M635 HydrophobicContact CD2-CE 3.96Å; F591-M635 HydrophobicContact CD2-SD 4.17Å; F591-M635 HydrophobicContact CG-CE 4.01Å; F591-M635 HydrophobicContact CG-SD 3.79Å; T631-M635 HydrophobicContact CG2-CE 3.56Å; T631-M635 HydrophobicContact CG2-CG 4.07Å; T631-M635 HydrophobicContact CG2-SD 3.93Å; T631-M635 WeakPolarHBondContact O-CB 3.49Å; T631-M635 WeakPolarHBondContact O-CG 3.36Å; T631-M635 PolarHBondContact O-N 3.46Å; M635-L637 PolarHBondContact O-N 3.23Å; M635-F1013 HydrophobicContact CE-CB 3.88Å; M635-Y1017 HydrophobicContact CB-CD2 4.46Å; M635-Y1017 HydrophobicContact CB-CE2 4.2Å; M635-Y1017 HydrophobicContact CE-CD2 4.49Å; M635-Y1017 HydrophobicContact CE-CG 4.46Å; M635-Y1017 HydrophobicContact CG-CD1 4.23Å; M635-Y1017 HydrophobicContact CG-CD2 3.87Å; M635-Y1017 HydrophobicContact CG-CE1 4.47Å; M635-Y1017 HydrophobicContact CG-CE2 4.12Å; M635-Y1017 HydrophobicContact CG-CG 3.92Å; M635-Y1017 PolarHBondContact O-OH 2.03Å; M635-Y1017 HydrophobicContact SD-CD2 4.49Å
636	G	61.4	Low	60.1	Low	51 Å²	51	46 Å²	46	53%	0.526	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	12.2	178.1	0	0	0	0	0	113.3	I634 K638	I634-G636 PolarHBondContact O-N 3.04Å; G636-K638 PolarHBondContact O-N 2.86Å; G636-K638 VanDerWaalsContact O-N 3.16Å
637	L	51.8	Low	56.7	Low	40 Å²	40	55.6 Å²	55.6	21%	0.209	33%	0.327	C	S	.	.			trans	-63.8	-6.7	159.6	-72.5	-177.5	0	0	0	110.6	L592 L632 M635 A653 S654	L592-L637 HydrophobicContact CD2-CD1 4.22Å; L632-L637 HydrophobicContact CD2-CD1 3.78Å; L632-L637 WeakPolarHBondContact O-CB 3.4Å; M635-L637 PolarHBondContact O-N 3.23Å; L637-A653 CarbonylContact O-C 3.5Å; L637-S654 WeakPolarHBondContact CB-OG 3.09Å; L637-S654 WeakPolarHBondContact O-CA 3.03Å; L637-S654 WeakPolarHBondContact O-CB 3.26Å; L637-S654 PolarHBondContact O-N 2.85Å
638	K	34.3	Very low	53.3	Low	34 Å²	34	65 Å²	65	15%	0.148	37%	0.368	C	S	.	.	S	Bend	trans	-102.7	137	175.4	-171.1	-162.3	-173.1	179.6	0	113.3	L633 G636 V651 L695	L633-K638 HydrophobicContact CB-CD 4.27Å; L633-K638 HydrophobicContact CD2-CB 4.26Å; L633-K638 HydrophobicContact CD2-CD 3.53Å; L633-K638 HydrophobicContact CD2-CG 3.86Å; G636-K638 PolarHBondContact O-N 2.86Å; G636-K638 VanDerWaalsContact O-N 3.16Å; K638-V651 HydrophobicContact CG-CG1 4.12Å; K638-L695 PolarHBondContact NZ-O 2.83Å
639	Q	30.1	Very low	49.9	Very low	48 Å²	48	73.5 Å²	73.5	22%	0.224	41%	0.408	C	S	.	.			trans	-77.1	117.2	154	-66.7	-150.6	-50.7	0	0	110.8	R444 G641 F652	R444-Q639 VanDerWaalsContact CG-OE1 3.25Å; Q639-G641 PolarHBondContact O-N 3.14Å; Q639-F652 HydrophobicContact CB-CB 4.19Å; Q639-F652 WeakPolarHBondContact CB-O 3.25Å; Q639-F652 HydrophobicContact CG-CB 4.15Å; Q639-F652 PolarHBondContact N-O 3.36Å
640	V	28.3	Very low	46.7	Very low	86 Å²	86	80 Å²	80	52%	0.521	44%	0.442	S	S	.	.			trans	-72.9	101.3	176	-178.9	0	0	0	0	109.5
641	G	26.4	Very low	43.9	Very low	42 Å²	42	82.1 Å²	82.1	43%	0.433	46%	0.455	S	S	.	.			trans	-82	137.1	171.2	0	0	0	0	0	113.5	Q639	Q639-G641 PolarHBondContact O-N 3.14Å
642	S	28.3	Very low	41.2	Very low	107 Å²	107	88.1 Å²	88.1	75%	0.748	48%	0.481	S	S	*	.			trans	54.6	106.8	146.8	64.8	0	0	0	0	121.6
643	D	22.8	Very low	39.4	Very low	164 Å²	164	88.7 Å²	88.7	88%	0.877	49%	0.485	S	S	*	.				-99.3	94.8	128.8	-83.3	-36.6	0	0	0	108.6
644	V	25.7	Very low	38.5	Very low	88 Å²	88	88.5 Å²	88.5	53%	0.533	49%	0.485	S	S	.	.			trans	-158.9	123.5	150.2	-174	0	0	0	0	108.8	C646	V644-C646 PolarHBondContact O-N 2.97Å
645	L	27.5	Very low	37.9	Very low	172 Å²	172	92.4 Å²	92.4	90%	0.901	51%	0.511	S	S	*	.	S	Bend	trans	-56.4	114	163.3	-95	99.6	0	0	0	110.3
646	C	24	Very low	38.1	Very low	109 Å²	109	94.1 Å²	94.1	74%	0.736	52%	0.519	S	S	*	.	S	Bend	trans	126.8	120.7	167.3	-85.1	0	0	0	0	110.4	V644	V644-C646 PolarHBondContact O-N 2.97Å
647	F	25	Very low	39.1	Very low	202 Å²	202	91.9 Å²	91.9	89%	0.886	50%	0.495	S	S	*	.			trans	83.5	96.9	-173.3	-62.3	-82.2	0	0	0	115.5
648	K	23.6	Very low	40.6	Very low	196 Å²	196	92.5 Å²	92.5	85%	0.852	50%	0.497	S	S	*	.			trans	-59.7	148.2	155	-68	177	171.5	-176.3	0	108.4
649	Q	25.2	Very low	43.2	Very low	180 Å²	180	94.1 Å²	94.1	84%	0.841	50%	0.504	S	S	*	.			trans	94.4	129.9	178.9	-60.3	167.2	-25.6	0	0	113
650	L	26.7	Very low	46.2	Very low	137 Å²	137	91.8 Å²	91.8	72%	0.717	49%	0.494	S	S	*	.			cis	-154.6	135.9	5.7	-101	145.6	0	0	0	106.7
651	V	34.9	Very low	49.2	Very low	44 Å²	44	90.8 Å²	90.8	27%	0.267	48%	0.48	S	S	.	.			trans	-81.2	112.1	174.3	176.8	0	0	0	0	108.3	K638 A653 Q658	K638-V651 HydrophobicContact CG-CG1 4.12Å; V651-A653 PolarHBondContact O-N 3.12Å; V651-Q658 PolarHBondContact O-NE2 3.26Å
652	F	38.7	Very low	52.5	Low	126 Å²	126	94.6 Å²	94.6	55%	0.553	49%	0.487	S	S	*	.			trans	-76.2	82.6	168.5	-66.2	-72.9	0	0	0	108.9	Q639	Q639-F652 HydrophobicContact CB-CB 4.19Å; Q639-F652 WeakPolarHBondContact CB-O 3.25Å; Q639-F652 HydrophobicContact CG-CB 4.15Å; Q639-F652 PolarHBondContact N-O 3.36Å
653	A	50.2	Low	55.7	Low	12 Å²	12	91.3 Å²	91.3	10%	0.099	46%	0.46	C	S	.	.			trans	-69	166.1	163.2	0	0	0	0	0	110.7	L637 V651 F657 Q658	L637-A653 CarbonylContact O-C 3.5Å; V651-A653 PolarHBondContact O-N 3.12Å; A653-F657 HydrophobicContact CB-CB 3.74Å; A653-F657 HydrophobicContact CB-CD1 3.07Å; A653-F657 HydrophobicContact CB-CE1 3.78Å; A653-F657 HydrophobicContact CB-CG 3.6Å; A653-Q658 HydrophobicContact CB-CG 4.32Å
654	S	63.5	Low	59.2	Low	7 Å²	7	83.5 Å²	83.5	5%	0.049	42%	0.418	C	S	.	.			trans	-63	160.5	-178.9	51.3	0	0	0	0	111.6	L637 E656 F657 Q658	L637-S654 WeakPolarHBondContact CB-OG 3.09Å; L637-S654 WeakPolarHBondContact O-CA 3.03Å; L637-S654 WeakPolarHBondContact O-CB 3.26Å; L637-S654 PolarHBondContact O-N 2.85Å; S654-E656 VanDerWaalsContact CB-OE2 3.24Å; S654-E656 WeakPolarHBondContact CB-OE2 3.48Å; S654-E656 PolarHBondContact O-N 3.28Å; S654-E656 PolarHBondContact OG-OE2 3.5Å; S654-F657 PolarHBondContact O-N 2.96Å; S654-F657 VanDerWaalsContact O-N 3.11Å; S654-F657 WeakPolarHBondContact OG-CB 3.43Å; S654-F657 PolarHBondContact OG-N 3.44Å; S654-Q658 WeakPolarHBondContact O-CG 3.08Å; S654-Q658 PolarHBondContact O-N 2.9Å
655	P	70.1	Confident	62.5	Low	88 Å²	88	81.3 Å²	81.3	57%	0.571	41%	0.41	S	S	*	.	H	α-helix	trans	-46.1	-46.3	165.4	-27.3	35.9	0	0	0	112	F657 Q658 E659	P655-F657 PolarHBondContact O-N 3.23Å; P655-Q658 PolarHBondContact O-N 3.49Å; P655-E659 WeakPolarHBondContact O-CB 3.43Å; P655-E659 VanDerWaalsContact O-CG 3.22Å; P655-E659 WeakPolarHBondContact O-CG 3.41Å; P655-E659 PolarHBondContact O-N 2.95Å
656	E	80.8	Confident	65.8	Low	44 Å²	44	76.8 Å²	76.8	21%	0.206	40%	0.397	C	S	.	.	H	α-helix	trans	-62.5	-41.8	-179.7	-64	80.3	-174.9	0	0	113.2	L592 L632 S654 A660	L592-E656 HydrophobicContact CD2-CG 4.16Å; L632-E656 HydrophobicContact CD2-CB 3.8Å; S654-E656 VanDerWaalsContact CB-OE2 3.24Å; S654-E656 WeakPolarHBondContact CB-OE2 3.48Å; S654-E656 PolarHBondContact O-N 3.28Å; S654-E656 PolarHBondContact OG-OE2 3.5Å; E656-A660 WeakPolarHBondContact O-CB 3.48Å; E656-A660 PolarHBondContact O-N 3.1Å; E656-A660 VanDerWaalsContact O-N 3.09Å
657	F	83.8	Confident	69.1	Low	4 Å²	4	76.1 Å²	76.1	2%	0.018	39%	0.386	C	S	.	.	H	α-helix	trans	-70.2	-39.9	176.9	179.9	-86.8	0	0	0	111.9	L629 L632 L633 A653 S654 P655 A660 R661 F701	L629-F657 HydrophobicContact CB-CE2 4.28Å; L629-F657 HydrophobicContact CD2-CD2 4.22Å; L629-F657 HydrophobicContact CD2-CE2 3.91Å; L632-F657 HydrophobicContact CB-CB 4.23Å; L632-F657 HydrophobicContact CB-CD2 4.03Å; L632-F657 HydrophobicContact CD1-CB 4.46Å; L632-F657 HydrophobicContact CD1-CD2 4.49Å; L633-F657 HydrophobicContact CD1-CD2 4.42Å; L633-F657 HydrophobicContact CD1-CE2 3.57Å; L633-F657 HydrophobicContact CD1-CZ 3.94Å; L633-F657 HydrophobicContact CD2-CD2 3.87Å; L633-F657 HydrophobicContact CD2-CE1 4.19Å; L633-F657 HydrophobicContact CD2-CE2 3.56Å; L633-F657 HydrophobicContact CD2-CG 4.31Å; L633-F657 HydrophobicContact CD2-CZ 3.69Å; L633-F657 HydrophobicContact CG-CD2 3.76Å; L633-F657 HydrophobicContact CG-CE2 3.39Å; L633-F657 HydrophobicContact CG-CZ 3.97Å; A653-F657 HydrophobicContact CB-CB 3.74Å; A653-F657 HydrophobicContact CB-CD1 3.07Å; A653-F657 HydrophobicContact CB-CE1 3.78Å; A653-F657 HydrophobicContact CB-CG 3.6Å; S654-F657 PolarHBondContact O-N 2.96Å; S654-F657 VanDerWaalsContact O-N 3.11Å; S654-F657 WeakPolarHBondContact OG-CB 3.43Å; S654-F657 PolarHBondContact OG-N 3.44Å; P655-F657 PolarHBondContact O-N 3.23Å; F657-A660 PolarHBondContact O-N 3.34Å; F657-R661 HydrophobicContact CD1-CB 4.38Å; F657-R661 HydrophobicContact CE1-CB 4.27Å; F657-R661 WeakPolarHBondContact O-CB 3.46Å; F657-R661 PolarHBondContact O-N 3.42Å; F657-F701 HydrophobicContact CE1-CE2 4.2Å; F657-F701 HydrophobicContact CE1-CZ 4.14Å; F657-F701 HydrophobicContact CE2-CE2 4.41Å; F657-F701 HydrophobicContact CE2-CZ 4.21Å; F657-F701 AromaticContact CZ-CE2 3.52Å; F657-F701 HydrophobicContact CZ-CE2 3.52Å; F657-F701 AromaticContact CZ-CZ 3.55Å; F657-F701 HydrophobicContact CZ-CZ 3.55Å
658	Q	82.5	Confident	72.5	Confident	53 Å²	53	66.8 Å²	66.8	25%	0.248	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-42.6	179.1	-67.9	-61.1	-14	0	0	111.1	V651 A653 S654 P655 R661 E662	V651-Q658 PolarHBondContact O-NE2 3.26Å; A653-Q658 HydrophobicContact CB-CG 4.32Å; S654-Q658 WeakPolarHBondContact O-CG 3.08Å; S654-Q658 PolarHBondContact O-N 2.9Å; P655-Q658 PolarHBondContact O-N 3.49Å; Q658-R661 WeakPolarHBondContact O-CB 3.28Å; Q658-R661 PolarHBondContact O-N 2.92Å; Q658-E662 WeakPolarHBondContact O-CB 3.26Å; Q658-E662 VanDerWaalsContact O-CG 3.32Å; Q658-E662 WeakPolarHBondContact O-CG 3.33Å; Q658-E662 PolarHBondContact O-N 2.95Å
659	E	89.2	Confident	75.6	Confident	67 Å²	67	60.5 Å²	60.5	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-60.4	-46.7	174.1	-70.3	170.5	162	0	0	111.5	K599 W603 P655 R661 E662 E663	K599-E659 WeakPolarHBondContact CE-OE2 3.14Å; K599-E659 IonicContact NZ-OE1 3.57Å; K599-E659 PolarHBondContact NZ-OE1 2.49Å; K599-E659 IonicContact NZ-OE2 2.78Å; K599-E659 PolarHBondContact NZ-OE2 2.57Å; W603-E659 HydrophobicContact CH2-CB 4.27Å; W603-E659 HydrophobicContact CZ2-CB 4.18Å; P655-E659 WeakPolarHBondContact O-CB 3.43Å; P655-E659 VanDerWaalsContact O-CG 3.22Å; P655-E659 WeakPolarHBondContact O-CG 3.41Å; P655-E659 PolarHBondContact O-N 2.95Å; E659-R661 VanDerWaalsContact C-N 3.33Å; E659-R661 PolarHBondContact O-N 3.44Å; E659-E662 PolarHBondContact O-N 2.91Å; E659-E663 WeakPolarHBondContact O-CB 3.1Å; E659-E663 PolarHBondContact O-N 3.02Å
660	A	92.8	Very high	78.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-43.8	175.7	0	0	0	0	0	111.9	W595 W603 L625 L629 L632 E656 F657 E662 E663 I664	W595-A660 HydrophobicContact CH2-CB 4.17Å; W595-A660 HydrophobicContact CZ2-CB 4.03Å; W603-A660 HydrophobicContact CH2-CB 4.15Å; L625-A660 HydrophobicContact CD2-CB 3.73Å; L625-A660 WeakPolarHBondContact CD2-O 3.22Å; L625-A660 HydrophobicContact CG-CB 3.99Å; L629-A660 HydrophobicContact CD2-CB 4.12Å; L632-A660 HydrophobicContact CD1-CB 4.33Å; E656-A660 WeakPolarHBondContact O-CB 3.48Å; E656-A660 PolarHBondContact O-N 3.1Å; E656-A660 VanDerWaalsContact O-N 3.09Å; F657-A660 PolarHBondContact O-N 3.34Å; A660-E662 PolarHBondContact O-N 2.92Å; A660-E663 PolarHBondContact O-N 3.17Å; A660-I664 PolarHBondContact O-N 3.2Å
661	R	91.8	Very high	81.4	Confident	64 Å²	64	49 Å²	49	24%	0.242	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-44.7	177.3	178.7	-162.9	-179	-76.6	-11.8	111.5	F657 Q658 E659 I664 A665 D698 L700 F701	F657-R661 HydrophobicContact CD1-CB 4.38Å; F657-R661 HydrophobicContact CE1-CB 4.27Å; F657-R661 WeakPolarHBondContact O-CB 3.46Å; F657-R661 PolarHBondContact O-N 3.42Å; Q658-R661 WeakPolarHBondContact O-CB 3.28Å; Q658-R661 PolarHBondContact O-N 2.92Å; E659-R661 VanDerWaalsContact C-N 3.33Å; E659-R661 PolarHBondContact O-N 3.44Å; R661-I664 PolarHBondContact O-N 3.47Å; R661-A665 WeakPolarHBondContact O-CB 3.44Å; R661-A665 PolarHBondContact O-N 3.37Å; R661-D698 IonicContact CZ-OD2 3.48Å; R661-D698 VanDerWaalsContact CZ-OD2 3.23Å; R661-D698 IonicContact NE-OD2 3.31Å; R661-D698 PolarHBondContact NE-OD2 3.17Å; R661-D698 IonicContact NH2-OD1 3.76Å; R661-D698 PolarHBondContact NH2-OD1 2.94Å; R661-D698 IonicContact NH2-OD2 3.91Å; R661-D698 PolarHBondContact NH2-OD2 2.63Å; R661-L700 HydrophobicContact CG-CD2 3.82Å; R661-F701 HydrophobicContact CB-CZ 4.14Å; R661-F701 HydrophobicContact CG-CE1 4.46Å; R661-F701 HydrophobicContact CG-CZ 3.86Å
662	E	94.7	Very high	83.8	Confident	123 Å²	123	48 Å²	48	58%	0.575	26%	0.262	S	S	*	.	H	α-helix	trans	-64.3	-42.3	177.4	-75.1	174.7	-177.9	0	0	111.5	Q658 E659 A660 A665 A666	Q658-E662 WeakPolarHBondContact O-CB 3.26Å; Q658-E662 VanDerWaalsContact O-CG 3.32Å; Q658-E662 WeakPolarHBondContact O-CG 3.33Å; Q658-E662 PolarHBondContact O-N 2.95Å; E659-E662 PolarHBondContact O-N 2.91Å; A660-E662 PolarHBondContact O-N 2.92Å; E662-A665 WeakPolarHBondContact O-CB 3.49Å; E662-A665 PolarHBondContact O-N 3.29Å; E662-A666 WeakPolarHBondContact O-CB 3.45Å; E662-A666 PolarHBondContact O-N 3.1Å
663	E	96.5	Very high	86.3	Confident	37 Å²	37	47 Å²	47	17%	0.173	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-45.6	174.8	-175.9	61.6	-143.3	0	0	112.1	W603 L625 E659 A660 A666 N667	W603-E663 HydrophobicContact CZ2-CB 3.78Å; W603-E663 HydrophobicContact CZ2-CG 4.1Å; W603-E663 VanDerWaalsContact NE1-CD 3.33Å; W603-E663 PolarHBondContact NE1-OE2 3.1Å; L625-E663 HydrophobicContact CD1-CB 3.81Å; L625-E663 HydrophobicContact CD1-CG 3.47Å; L625-E663 VanDerWaalsContact CD1-CG 3.47Å; E659-E663 WeakPolarHBondContact O-CB 3.1Å; E659-E663 PolarHBondContact O-N 3.02Å; A660-E663 PolarHBondContact O-N 3.17Å; E663-A666 PolarHBondContact O-N 3.13Å; E663-N667 WeakPolarHBondContact O-CB 3.38Å; E663-N667 PolarHBondContact O-N 3.47Å; E663-N667 PolarHBondContact OE1-ND2 3.22Å
664	I	96.1	Very high	88.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-41.6	174.1	-75.2	160	0	0	0	111.5	Q622 L625 I626 L629 A660 R661 A666 F668 F701 K704	Q622-I664 VanDerWaalsContact OE1-CG1 3.3Å; L625-I664 HydrophobicContact CD2-CD1 3.13Å; L625-I664 HydrophobicContact CD2-CG1 3.35Å; I626-I664 HydrophobicContact CG1-CD1 3.97Å; I626-I664 HydrophobicContact CG1-CG1 4.2Å; L629-I664 HydrophobicContact CD1-CD1 3.6Å; L629-I664 HydrophobicContact CD2-CD1 3.78Å; L629-I664 HydrophobicContact CG-CD1 4.02Å; A660-I664 PolarHBondContact O-N 3.2Å; R661-I664 PolarHBondContact O-N 3.47Å; I664-A666 VanDerWaalsContact C-N 3.27Å; I664-A666 PolarHBondContact O-N 3.45Å; I664-F668 HydrophobicContact CB-CB 4.26Å; I664-F668 HydrophobicContact CG1-CB 4.47Å; I664-F668 HydrophobicContact CG2-CB 3.8Å; I664-F668 HydrophobicContact CG2-CG 4.4Å; I664-F668 VanDerWaalsContact O-CB 3.29Å; I664-F668 WeakPolarHBondContact O-CB 3.22Å; I664-F668 PolarHBondContact O-N 3.04Å; I664-F668 VanDerWaalsContact O-N 3.08Å; I664-F701 HydrophobicContact CD1-CE1 4.14Å; I664-K704 HydrophobicContact CG2-CG 4.23Å
665	A	95.6	Very high	89.6	Confident	43 Å²	43	53.8 Å²	53.8	36%	0.355	29%	0.287	S	S	.	.	H	α-helix	trans	-58.5	-45.3	179.8	0	0	0	0	0	110.5	R661 E662 L700	R661-A665 WeakPolarHBondContact O-CB 3.44Å; R661-A665 PolarHBondContact O-N 3.37Å; E662-A665 WeakPolarHBondContact O-CB 3.49Å; E662-A665 PolarHBondContact O-N 3.29Å; A665-L700 HydrophobicContact CB-CD1 4.18Å; A665-L700 HydrophobicContact CB-CD2 3.78Å
666	A	95.6	Very high	90.6	Very high	76 Å²	76	50 Å²	50	63%	0.628	26%	0.262	S	S	*	.	H	α-helix	trans	-73.9	-46.7	-179	0	0	0	0	0	113.2	E662 E663 I664	E662-A666 WeakPolarHBondContact O-CB 3.45Å; E662-A666 PolarHBondContact O-N 3.1Å; E663-A666 PolarHBondContact O-N 3.13Å; I664-A666 VanDerWaalsContact C-N 3.27Å; I664-A666 PolarHBondContact O-N 3.45Å
667	N	94.7	Very high	91.2	Very high	95 Å²	95	48.8 Å²	48.8	51%	0.508	26%	0.259	S	S	.	.	H	α-helix	trans	-120.2	-16.4	-158.9	-65.5	-33.5	0	0	0	114.8	E663 T669	E663-N667 WeakPolarHBondContact O-CB 3.38Å; E663-N667 PolarHBondContact O-N 3.47Å; E663-N667 PolarHBondContact OE1-ND2 3.22Å; N667-T669 PolarHBondContact O-N 3.02Å
668	F	94.8	Very high	91.7	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.026	26%	0.258	C	S	.	.			trans	-72.3	124	177	177.5	-101.1	0	0	0	111.8	M621 I626 I664 V685 L689 K704 M707	M621-F668 HydrophobicContact CB-CE2 4.23Å; I626-F668 HydrophobicContact CD1-CD2 3.37Å; I626-F668 HydrophobicContact CD1-CE2 3.35Å; I626-F668 HydrophobicContact CD1-CG 4.16Å; I626-F668 HydrophobicContact CD1-CZ 4.15Å; I664-F668 HydrophobicContact CB-CB 4.26Å; I664-F668 HydrophobicContact CG1-CB 4.47Å; I664-F668 HydrophobicContact CG2-CB 3.8Å; I664-F668 HydrophobicContact CG2-CG 4.4Å; I664-F668 VanDerWaalsContact O-CB 3.29Å; I664-F668 WeakPolarHBondContact O-CB 3.22Å; I664-F668 PolarHBondContact O-N 3.04Å; I664-F668 VanDerWaalsContact O-N 3.08Å; F668-V685 HydrophobicContact CE2-CG1 3.83Å; F668-V685 HydrophobicContact CZ-CG1 3.92Å; F668-L689 HydrophobicContact CE1-CD1 3.89Å; F668-L689 HydrophobicContact CZ-CD1 3.86Å; F668-K704 HydrophobicContact CD1-CB 3.86Å; F668-K704 HydrophobicContact CD1-CD 3.77Å; F668-K704 HydrophobicContact CD1-CG 3.82Å; F668-K704 HydrophobicContact CE1-CB 3.81Å; F668-K704 HydrophobicContact CE1-CD 4.38Å; F668-K704 HydrophobicContact CE1-CG 4.29Å; F668-K704 PolarHBondContact O-NZ 2.66Å; F668-M707 HydrophobicContact CD1-CE 3.86Å; F668-M707 HydrophobicContact CE1-CE 3.48Å; F668-M707 VanDerWaalsContact CE1-CE 3.48Å; F668-M707 HydrophobicContact CZ-CE 4.45Å
669	T	90.4	Very high	92.3	Very high	64 Å²	64	47.2 Å²	47.2	39%	0.393	25%	0.251	S	S	.	.			trans	-136.3	145.2	174.1	-173.6	0	0	0	0	111	N667 D671 V672	N667-T669 PolarHBondContact O-N 3.02Å; T669-D671 HydrophobicContact CG2-CB 4.39Å; T669-D671 WeakPolarHBondContact OG1-CB 3.36Å; T669-D671 PolarHBondContact OG1-N 3.47Å; T669-V672 HydrophobicContact CG2-CG2 4.48Å
670	A	85.4	Confident	92.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-84.5	3	165.9	0	0	0	0	0	111.6	V672 M707 L708 R711 P729	A670-V672 PolarHBondContact O-N 2.95Å; A670-V672 VanDerWaalsContact O-N 3.07Å; A670-M707 HydrophobicContact CB-CE 3.86Å; A670-M707 HydrophobicContact CB-CG 4.12Å; A670-M707 HydrophobicContact CB-SD 4.3Å; A670-L708 HydrophobicContact CB-CD1 4.14Å; A670-R711 HydrophobicContact CB-CG 4.19Å; A670-P729 HydrophobicContact CB-CB 4.5Å; A670-P729 CarbonylContact O-C 3.59Å; A670-P729 WeakPolarHBondContact O-CB 3.35Å
671	D	86.7	Confident	92.6	Very high	76 Å²	76	46.1 Å²	46.1	41%	0.406	25%	0.246	S	C	.	.			trans	-88.6	53.6	-174.7	-143.3	47.7	0	0	0	112.4	T669 R711 H730	T669-D671 HydrophobicContact CG2-CB 4.39Å; T669-D671 WeakPolarHBondContact OG1-CB 3.36Å; T669-D671 PolarHBondContact OG1-N 3.47Å; D671-R711 IonicContact OD1-CZ 2.9Å; D671-R711 IonicContact OD1-NH1 2.98Å; D671-R711 PolarHBondContact OD1-NH1 3.28Å; D671-R711 IonicContact OD1-NH2 2.85Å; D671-H730 IonicContact OD1-CE1 3.1Å; D671-H730 IonicContact OD1-CG 3.27Å; D671-H730 IonicContact OD1-ND1 2.6Å; D671-H730 PolarHBondContact OD1-ND1 3.48Å; D671-H730 IonicContact OD2-CE1 3.48Å; D671-H730 IonicContact OD2-ND1 3Å; D671-H730 PolarHBondContact OD2-ND1 2.95Å; D671-H730 VanDerWaalsContact OD2-ND1 3.15Å
672	V	86.7	Confident	92.9	Very high	22 Å²	22	43.1 Å²	43.1	13%	0.133	23%	0.234	C	C	.	.			trans	-105.6	111	179.2	-172.3	0	0	0	0	108.7	N620 M621 T669 A670 K674 F676 N728	N620-V672 HydrophobicContact CB-CG1 4.45Å; M621-V672 HydrophobicContact CE-CB 4.17Å; M621-V672 HydrophobicContact CE-CG2 4.1Å; M621-V672 HydrophobicContact CG-CG2 4.32Å; T669-V672 HydrophobicContact CG2-CG2 4.48Å; A670-V672 PolarHBondContact O-N 2.95Å; A670-V672 VanDerWaalsContact O-N 3.07Å; V672-K674 HydrophobicContact CG1-CB 4.33Å; V672-K674 PolarHBondContact O-N 2.94Å; V672-F676 HydrophobicContact CB-CE2 4.07Å; V672-F676 HydrophobicContact CB-CZ 4.31Å; V672-F676 HydrophobicContact CG1-CE2 3.87Å; V672-F676 HydrophobicContact CG1-CZ 3.63Å; V672-N728 PolarHBondContact O-OD1 3.33Å
673	D	90.9	Very high	93	Very high	105 Å²	105	37.2 Å²	37.2	56%	0.561	21%	0.207	S	C	*	.			trans	-78.5	67.6	-179.4	-170.5	20.1	0	0	0	111.9	N728 H730	D673-N728 PolarHBondContact OD1-ND2 3.11Å; D673-H730 HydrophobicContact CB-CB 4.07Å; D673-H730 IonicContact OD1-CD2 2.72Å
674	K	91	Very high	93	Very high	94 Å²	94	36.1 Å²	36.1	41%	0.409	20%	0.201	S	C	.	.	S	Bend	trans	-150.3	149.3	176.4	178.3	176.1	172.6	-163.7	0	109.1	W618 V672 F676 N728	W618-K674 PolarHBondContact O-NZ 3.37Å; V672-K674 HydrophobicContact CG1-CB 4.33Å; V672-K674 PolarHBondContact O-N 2.94Å; K674-F676 HydrophobicContact CB-CE1 4.12Å; K674-F676 HydrophobicContact CB-CE2 3.87Å; K674-F676 HydrophobicContact CB-CZ 3.53Å; K674-F676 HydrophobicContact CD-CD1 4.49Å; K674-F676 HydrophobicContact CD-CE1 3.56Å; K674-F676 HydrophobicContact CD-CZ 3.75Å; K674-F676 HydrophobicContact CG-CD1 4.41Å; K674-F676 HydrophobicContact CG-CE1 3.76Å; K674-F676 HydrophobicContact CG-CE2 4.33Å; K674-F676 HydrophobicContact CG-CZ 3.72Å; K674-F676 VanDerWaalsContact O-CD2 3.24Å; K674-F676 WeakPolarHBondContact O-CD2 3.3Å; K674-F676 WeakPolarHBondContact O-CE2 3.4Å; K674-N728 PolarHBondContact N-ND2 2.87Å; K674-N728 WeakPolarHBondContact O-CA 3.29Å
675	Y	92.1	Very high	93.1	Very high	68 Å²	68	36.1 Å²	36.1	27%	0.267	20%	0.201	S	C	.	.			trans	-83.7	132.1	173.8	-75.3	-90.8	0	0	0	110.3	E726 I727 N728 T733 K735	Y675-E726 HydrophobicContact CD1-CB 4.18Å; Y675-I727 WeakPolarHBondContact CA-O 3.32Å; Y675-N728 HydrophobicContact CD1-CB 3.89Å; Y675-N728 HydrophobicContact CD2-CB 4.18Å; Y675-N728 HydrophobicContact CE1-CB 3.77Å; Y675-N728 HydrophobicContact CE2-CB 4.05Å; Y675-N728 HydrophobicContact CG-CB 4.11Å; Y675-T733 WeakPolarHBondContact CE1-O 3.4Å; Y675-T733 PolarHBondContact OH-OG1 2.91Å; Y675-T733 VanDerWaalsContact OH-OG1 3.06Å; Y675-K735 HydrophobicContact CD1-CB 4.44Å; Y675-K735 HydrophobicContact CD1-CD 3.51Å; Y675-K735 HydrophobicContact CD1-CG 3.56Å; Y675-K735 HydrophobicContact CD2-CD 4.15Å; Y675-K735 HydrophobicContact CE1-CB 4.02Å; Y675-K735 HydrophobicContact CE1-CD 3.58Å; Y675-K735 HydrophobicContact CE1-CG 3.6Å; Y675-K735 HydrophobicContact CE2-CD 4.23Å; Y675-K735 HydrophobicContact CG-CD 3.79Å; Y675-K735 VanDerWaalsContact CG-CE 3.44Å; Y675-K735 HydrophobicContact CG-CG 4.3Å
676	F	91	Very high	93.2	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.035	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	158.8	178.4	-55.1	-72.5	0	0	0	110.1	F619 M621 V672 K674 F678 V681 E726 I727 P729	F619-F676 VanDerWaalsContact CA-CE1 3.48Å; F619-F676 HydrophobicContact CB-CE1 4.4Å; F619-F676 HydrophobicContact CD1-CB 4.01Å; F619-F676 AromaticContact CD1-CD1 3.6Å; F619-F676 HydrophobicContact CD1-CD1 3.6Å; F619-F676 HydrophobicContact CD1-CE1 4.3Å; F619-F676 AromaticContact CD1-CG 3.94Å; F619-F676 HydrophobicContact CD1-CG 3.94Å; F619-F676 HydrophobicContact CE1-CB 4.15Å; F619-F676 HydrophobicContact CE1-CD1 4.31Å; F619-F676 WeakPolarHBondContact O-CE1 3.39Å; F619-F676 WeakPolarHBondContact O-CZ 3.48Å; M621-F676 HydrophobicContact CE-CD2 4.16Å; M621-F676 HydrophobicContact CE-CE2 3.9Å; V672-F676 HydrophobicContact CB-CE2 4.07Å; V672-F676 HydrophobicContact CB-CZ 4.31Å; V672-F676 HydrophobicContact CG1-CE2 3.87Å; V672-F676 HydrophobicContact CG1-CZ 3.63Å; K674-F676 HydrophobicContact CB-CE1 4.12Å; K674-F676 HydrophobicContact CB-CE2 3.87Å; K674-F676 HydrophobicContact CB-CZ 3.53Å; K674-F676 HydrophobicContact CD-CD1 4.49Å; K674-F676 HydrophobicContact CD-CE1 3.56Å; K674-F676 HydrophobicContact CD-CZ 3.75Å; K674-F676 HydrophobicContact CG-CD1 4.41Å; K674-F676 HydrophobicContact CG-CE1 3.76Å; K674-F676 HydrophobicContact CG-CE2 4.33Å; K674-F676 HydrophobicContact CG-CZ 3.72Å; K674-F676 VanDerWaalsContact O-CD2 3.24Å; K674-F676 WeakPolarHBondContact O-CD2 3.3Å; K674-F676 WeakPolarHBondContact O-CE2 3.4Å; F676-F678 PolarHBondContact O-N 3.23Å; F676-F678 VanDerWaalsContact O-N 3.16Å; F676-V681 HydrophobicContact CB-CG2 3.66Å; F676-V681 HydrophobicContact CG-CG2 4.33Å; F676-E726 CarbonylContact O-C 3.23Å; F676-E726 WeakPolarHBondContact O-CA 3.32Å; F676-I727 PolarHBondContact N-O 2.7Å; F676-I727 PolarHBondContact O-N 3.36Å; F676-P729 HydrophobicContact CD2-CG 4.3Å
677	S	92.5	Very high	93.3	Very high	20 Å²	20	30.5 Å²	30.5	14%	0.14	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	120.4	168.7	170.8	0	0	0	0	109.8	F679 E680 V681	S677-F679 PolarHBondContact O-N 3.18Å; S677-F679 PolarHBondContact OG-N 3.45Å; S677-E680 PolarHBondContact O-N 3Å; S677-E680 PolarHBondContact OG-N 2.98Å; S677-V681 WeakPolarHBondContact O-CG2 3.21Å; S677-V681 PolarHBondContact O-N 2.88Å; S677-V681 VanDerWaalsContact O-N 3.16Å
678	F	94.3	Very high	93.5	Very high	3 Å²	3	26 Å²	26	1%	0.013	13%	0.13	C	C	.	.	H	α-helix	trans	-56.1	-40.4	175.6	164.4	-93.9	0	0	0	110.9	F676 T682 L712 A715 F716 P723 L724 A725 I727 F755	F676-F678 PolarHBondContact O-N 3.23Å; F676-F678 VanDerWaalsContact O-N 3.16Å; F678-T682 WeakPolarHBondContact O-CB 3.17Å; F678-T682 PolarHBondContact O-N 2.97Å; F678-T682 VanDerWaalsContact O-N 3.13Å; F678-T682 PolarHBondContact O-OG1 3.03Å; F678-L712 HydrophobicContact CD2-CD2 4.24Å; F678-L712 HydrophobicContact CE2-CB 4.15Å; F678-A715 HydrophobicContact CD2-CB 3.46Å; F678-A715 VanDerWaalsContact CD2-CB 3.46Å; F678-A715 HydrophobicContact CE2-CB 3.74Å; F678-A715 HydrophobicContact CG-CB 4.18Å; F678-F716 HydrophobicContact CE1-CZ 4.15Å; F678-F716 AromaticContact CE2-CE2 3.86Å; F678-F716 HydrophobicContact CE2-CE2 3.86Å; F678-F716 HydrophobicContact CE2-CZ 4.21Å; F678-F716 HydrophobicContact CZ-CD2 4.5Å; F678-F716 HydrophobicContact CZ-CE1 4.28Å; F678-F716 AromaticContact CZ-CE2 3.53Å; F678-F716 HydrophobicContact CZ-CE2 3.53Å; F678-F716 AromaticContact CZ-CZ 3.41Å; F678-F716 HydrophobicContact CZ-CZ 3.41Å; F678-F716 VanDerWaalsContact CZ-CZ 3.41Å; F678-P723 HydrophobicContact CD1-CB 3.71Å; F678-P723 HydrophobicContact CD1-CG 4.03Å; F678-P723 HydrophobicContact CE1-CB 3.6Å; F678-P723 HydrophobicContact CE1-CG 3.77Å; F678-P723 HydrophobicContact CE2-CB 4.43Å; F678-P723 HydrophobicContact CG-CB 4.22Å; F678-P723 HydrophobicContact CZ-CB 4Å; F678-L724 WeakPolarHBondContact CB-O 3.44Å; F678-A725 PolarHBondContact N-O 3.42Å; F678-I727 HydrophobicContact CB-CB 4.39Å; F678-I727 HydrophobicContact CB-CG2 4.16Å; F678-I727 HydrophobicContact CD2-CG2 4.5Å; F678-F755 HydrophobicContact CE2-CE2 4.3Å; F678-F755 HydrophobicContact CE2-CZ 4.14Å; F678-F755 AromaticContact CZ-CE2 3.87Å; F678-F755 HydrophobicContact CZ-CE2 3.87Å; F678-F755 HydrophobicContact CZ-CZ 4.08Å
679	F	95.1	Very high	93.6	Very high	21 Å²	21	25.7 Å²	25.7	9%	0.092	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-55.6	179.9	168.5	-118.7	0	0	0	111.8	S677 V681 T682 I683 A746 E747 T750	S677-F679 PolarHBondContact O-N 3.18Å; S677-F679 PolarHBondContact OG-N 3.45Å; F679-V681 PolarHBondContact O-N 3.29Å; F679-T682 WeakPolarHBondContact O-CB 3.35Å; F679-T682 PolarHBondContact O-N 2.82Å; F679-T682 VanDerWaalsContact O-N 3.09Å; F679-I683 HydrophobicContact CD1-CD1 4.31Å; F679-I683 HydrophobicContact CD2-CD1 4.14Å; F679-I683 HydrophobicContact CD2-CG2 4.08Å; F679-I683 HydrophobicContact CE1-CD1 3.79Å; F679-I683 HydrophobicContact CE2-CD1 3.55Å; F679-I683 HydrophobicContact CE2-CG1 4.45Å; F679-I683 HydrophobicContact CE2-CG2 3.83Å; F679-I683 HydrophobicContact CG-CD1 4.48Å; F679-I683 HydrophobicContact CZ-CD1 3.39Å; F679-I683 WeakPolarHBondContact O-CG1 3.48Å; F679-I683 PolarHBondContact O-N 3.03Å; F679-A746 HydrophobicContact CZ-CB 4.38Å; F679-E747 HydrophobicContact CB-CB 3.96Å; F679-E747 HydrophobicContact CB-CG 3.5Å; F679-E747 VanDerWaalsContact CB-CG 3.5Å; F679-E747 HydrophobicContact CD1-CG 3.8Å; F679-E747 HydrophobicContact CG-CB 4.2Å; F679-E747 HydrophobicContact CG-CG 3.69Å; F679-T750 HydrophobicContact CE2-CG2 3.64Å; F679-T750 HydrophobicContact CZ-CG2 4.36Å
680	E	94.5	Very high	94	Very high	44 Å²	44	22.6 Å²	22.6	21%	0.206	11%	0.11	C	C	.	.	H	α-helix	trans	-62.5	-42.6	-177.2	-62.5	-79.9	158.9	0	0	112	W618 F619 S677 T682 R684	W618-E680 HydrophobicContact CH2-CG 4.46Å; W618-E680 WeakPolarHBondContact CH2-OE2 3.29Å; W618-E680 HydrophobicContact CZ2-CG 4.46Å; F619-E680 HydrophobicContact CE1-CB 3.93Å; F619-E680 HydrophobicContact CE2-CB 4.37Å; F619-E680 HydrophobicContact CZ-CB 3.39Å; F619-E680 HydrophobicContact CZ-CG 4.17Å; S677-E680 PolarHBondContact O-N 3Å; S677-E680 PolarHBondContact OG-N 2.98Å; E680-T682 PolarHBondContact O-N 2.8Å; E680-R684 WeakPolarHBondContact O-CB 3.04Å; E680-R684 VanDerWaalsContact O-CG 3.25Å; E680-R684 WeakPolarHBondContact O-CG 3.36Å; E680-R684 PolarHBondContact O-N 3.25Å; E680-R684 VanDerWaalsContact O-N 3.1Å; E680-R684 WeakPolarHBondContact OE2-CD 3.38Å; E680-R684 IonicContact OE2-CZ 3.66Å; E680-R684 IonicContact OE2-NH1 3.95Å; E680-R684 PolarHBondContact OE2-NH1 2.95Å
681	V	95	Very high	94.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	I	π-helix	trans	-63.1	-34.1	177.6	176.9	0	0	0	0	111.2	F619 M621 F676 S677 F679 V685 L686 L708 L712	F619-V681 HydrophobicContact CD1-CG2 3.82Å; F619-V681 HydrophobicContact CE1-CG2 3.85Å; M621-V681 HydrophobicContact SD-CG1 4.4Å; F676-V681 HydrophobicContact CB-CG2 3.66Å; F676-V681 HydrophobicContact CG-CG2 4.33Å; S677-V681 WeakPolarHBondContact O-CG2 3.21Å; S677-V681 PolarHBondContact O-N 2.88Å; S677-V681 VanDerWaalsContact O-N 3.16Å; F679-V681 PolarHBondContact O-N 3.29Å; V681-V685 HydrophobicContact CG1-CB 4.46Å; V681-V685 WeakPolarHBondContact O-CB 3.4Å; V681-V685 PolarHBondContact O-N 2.58Å; V681-L686 PolarHBondContact O-N 3.09Å; V681-L686 VanDerWaalsContact O-N 3.1Å; V681-L708 HydrophobicContact CG1-CD1 3.92Å; V681-L708 HydrophobicContact CG1-CD2 4.1Å; V681-L708 HydrophobicContact CG1-CG 4.44Å; V681-L712 HydrophobicContact CG1-CD1 4.36Å; V681-L712 HydrophobicContact CG1-CD2 4.04Å
682	T	97	Very high	95	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-70.6	-57.6	179.2	-60.2	0	0	0	0	111.7	F678 F679 E680 R684 L686 G687 E754 F755	F678-T682 WeakPolarHBondContact O-CB 3.17Å; F678-T682 PolarHBondContact O-N 2.97Å; F678-T682 VanDerWaalsContact O-N 3.13Å; F678-T682 PolarHBondContact O-OG1 3.03Å; F679-T682 WeakPolarHBondContact O-CB 3.35Å; F679-T682 PolarHBondContact O-N 2.82Å; F679-T682 VanDerWaalsContact O-N 3.09Å; E680-T682 PolarHBondContact O-N 2.8Å; T682-R684 VanDerWaalsContact C-N 3.34Å; T682-R684 PolarHBondContact O-N 2.9Å; T682-L686 HydrophobicContact CG2-CD2 4.35Å; T682-L686 WeakPolarHBondContact O-CB 3.27Å; T682-L686 PolarHBondContact O-N 2.84Å; T682-G687 PolarHBondContact O-N 3.49Å; T682-E754 HydrophobicContact CG2-CB 4.02Å; T682-E754 HydrophobicContact CG2-CG 4.2Å; T682-F755 HydrophobicContact CG2-CD2 3.87Å; T682-F755 HydrophobicContact CG2-CE2 3.59Å
683	I	97.8	Very high	95.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	I	π-helix	trans	-71.2	-30.6	-171.7	64.3	-177.6	0	0	0	112.4	F679 T750 N1035 T1036 E1037 H1039	F679-I683 HydrophobicContact CD1-CD1 4.31Å; F679-I683 HydrophobicContact CD2-CD1 4.14Å; F679-I683 HydrophobicContact CD2-CG2 4.08Å; F679-I683 HydrophobicContact CE1-CD1 3.79Å; F679-I683 HydrophobicContact CE2-CD1 3.55Å; F679-I683 HydrophobicContact CE2-CG1 4.45Å; F679-I683 HydrophobicContact CE2-CG2 3.83Å; F679-I683 HydrophobicContact CG-CD1 4.48Å; F679-I683 HydrophobicContact CZ-CD1 3.39Å; F679-I683 WeakPolarHBondContact O-CG1 3.48Å; F679-I683 PolarHBondContact O-N 3.03Å; I683-T750 HydrophobicContact CG2-CG2 3.95Å; I683-T750 WeakPolarHBondContact CG2-O 3.32Å; I683-N1035 PolarHBondContact O-ND2 2.81Å; I683-T1036 HydrophobicContact CB-CG2 3.93Å; I683-T1036 HydrophobicContact CD1-CG2 3.58Å; I683-T1036 HydrophobicContact CG1-CG2 4.23Å; I683-T1036 HydrophobicContact CG2-CG2 4.01Å; I683-E1037 HydrophobicContact CB-CG 3.91Å; I683-E1037 HydrophobicContact CD1-CG 3.85Å; I683-E1037 VanDerWaalsContact CD1-OE1 3.26Å; I683-E1037 WeakPolarHBondContact CD1-OE1 3.36Å; I683-E1037 HydrophobicContact CG1-CG 3.63Å; I683-H1039 PolarHBondContact O-CD2 3.36Å; I683-H1039 VanDerWaalsContact O-CD2 3.31Å
684	R	97.1	Very high	95.2	Very high	14 Å²	14	14.7 Å²	14.7	5%	0.053	7%	0.065	C	C	.	.	I	π-helix	trans	-91.6	-63.6	-177	-55.6	-176.3	95.8	144.3	2.5	112.1	W618 L623 E627 E680 T682 G688 S1006 E1037 H1039	W618-R684 VanDerWaalsContact CH2-NH1 3.34Å; W618-R684 VanDerWaalsContact CZ3-NH1 3.28Å; L623-R684 HydrophobicContact CD1-CB 3.77Å; L623-R684 HydrophobicContact CD1-CG 4.48Å; E627-R684 HydrophobicContact CG-CB 4.1Å; E627-R684 WeakPolarHBondContact OE1-CB 3.41Å; E627-R684 WeakPolarHBondContact OE1-CG 3.4Å; E627-R684 IonicContact OE1-CZ 3.98Å; E627-R684 IonicContact OE1-NE 3.85Å; E627-R684 PolarHBondContact OE1-NE 2.95Å; E627-R684 IonicContact OE1-NH2 2.74Å; E627-R684 IonicContact OE2-NE 3.74Å; E627-R684 PolarHBondContact OE2-NE 2.99Å; E627-R684 IonicContact OE2-NH2 3.77Å; E680-R684 WeakPolarHBondContact O-CB 3.04Å; E680-R684 VanDerWaalsContact O-CG 3.25Å; E680-R684 WeakPolarHBondContact O-CG 3.36Å; E680-R684 PolarHBondContact O-N 3.25Å; E680-R684 VanDerWaalsContact O-N 3.1Å; E680-R684 WeakPolarHBondContact OE2-CD 3.38Å; E680-R684 IonicContact OE2-CZ 3.66Å; E680-R684 IonicContact OE2-NH1 3.95Å; E680-R684 PolarHBondContact OE2-NH1 2.95Å; T682-R684 VanDerWaalsContact C-N 3.34Å; T682-R684 PolarHBondContact O-N 2.9Å; R684-G688 PolarHBondContact O-N 3.48Å; R684-S1006 PolarHBondContact NH2-OG 3.5Å; R684-E1037 HydrophobicContact CG-CG 3.8Å; R684-E1037 IonicContact CZ-OE2 3.37Å; R684-E1037 IonicContact NE-OE2 2.7Å; R684-E1037 PolarHBondContact NE-OE2 3.14Å; R684-E1037 IonicContact NH2-OE2 3.11Å; R684-H1039 PolarHBondContact O-NE2 3.37Å
685	V	96.5	Very high	94.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-76.6	-53.3	-171.1	-171.9	0	0	0	0	110.8	L623 I626 F668 V681 G688 L689 L708	L623-V685 HydrophobicContact CD1-CG2 4.21Å; I626-V685 HydrophobicContact CD1-CG1 3.79Å; I626-V685 HydrophobicContact CG2-CG1 4.36Å; F668-V685 HydrophobicContact CE2-CG1 3.83Å; F668-V685 HydrophobicContact CZ-CG1 3.92Å; V681-V685 HydrophobicContact CG1-CB 4.46Å; V681-V685 WeakPolarHBondContact O-CB 3.4Å; V681-V685 PolarHBondContact O-N 2.58Å; V685-G688 PolarHBondContact O-N 3.41Å; V685-L689 HydrophobicContact CG1-CD1 4.27Å; V685-L689 VanDerWaalsContact O-CG 3.28Å; V685-L689 WeakPolarHBondContact O-CG 3.2Å; V685-L689 PolarHBondContact O-N 2.82Å; V685-L708 HydrophobicContact CB-CD2 3.86Å; V685-L708 HydrophobicContact CG1-CD2 3.55Å
686	L	97.9	Very high	94.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.042	C	C	.	.	I	π-helix	trans	-66.2	-41.1	177.2	176.7	64.7	0	0	0	111	V681 T682 L690 A705 L708 L712 E754 F755 L758	V681-L686 PolarHBondContact O-N 3.09Å; V681-L686 VanDerWaalsContact O-N 3.1Å; T682-L686 HydrophobicContact CG2-CD2 4.35Å; T682-L686 WeakPolarHBondContact O-CB 3.27Å; T682-L686 PolarHBondContact O-N 2.84Å; L686-L690 HydrophobicContact CD1-CD1 3.89Å; L686-L690 HydrophobicContact CD1-CG 4.02Å; L686-L690 HydrophobicContact CD2-CD1 4.5Å; L686-L690 HydrophobicContact CG-CD1 3.81Å; L686-L690 HydrophobicContact CG-CG 4.38Å; L686-L690 WeakPolarHBondContact O-CB 3.35Å; L686-L690 VanDerWaalsContact O-CG 3.24Å; L686-L690 WeakPolarHBondContact O-CG 3.31Å; L686-L690 PolarHBondContact O-N 2.9Å; L686-A705 HydrophobicContact CD1-CB 3.85Å; L686-A705 WeakPolarHBondContact CD1-O 3.48Å; L686-L708 HydrophobicContact CB-CD2 3.99Å; L686-L712 HydrophobicContact CD2-CD1 4.24Å; L686-E754 HydrophobicContact CD2-CB 4.08Å; L686-E754 HydrophobicContact CG-CB 4.3Å; L686-F755 HydrophobicContact CD2-CD2 4.37Å; L686-F755 HydrophobicContact CD2-CE2 4.22Å; L686-L758 HydrophobicContact CD1-CD2 4.27Å; L686-L758 HydrophobicContact CD2-CD2 4.45Å
687	G	98.4	Very high	94	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-55.6	-51.6	173.5	0	0	0	0	0	113	T682 L690 S691	T682-G687 PolarHBondContact O-N 3.49Å; G687-L690 PolarHBondContact O-N 3.35Å; G687-S691 WeakPolarHBondContact O-CB 3.37Å; G687-S691 PolarHBondContact O-N 3.36Å
688	G	98.1	Very high	93.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62	-44.7	179.2	0	0	0	0	0	113.4	R684 V685 S691 A692 H1039	R684-G688 PolarHBondContact O-N 3.48Å; V685-G688 PolarHBondContact O-N 3.41Å; G688-S691 PolarHBondContact O-N 2.7Å; G688-A692 VanDerWaalsContact O-CB 3.28Å; G688-A692 WeakPolarHBondContact O-CB 3.19Å; G688-A692 PolarHBondContact O-N 3.39Å; G688-H1039 VanDerWaalsContact CA-CE1 3.46Å; G688-H1039 WeakPolarHBondContact CA-CE1 3.28Å; G688-H1039 PolarHBondContact N-CD2 3.11Å; G688-H1039 VanDerWaalsContact N-CD2 3.33Å; G688-H1039 PolarHBondContact N-NE2 3.39Å
689	L	98.4	Very high	93.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.9	-43.5	176.1	-69.1	170.3	0	0	0	112.2	I626 F668 V685 F693 F701 K704 A705 L708	I626-L689 HydrophobicContact CD1-CD2 4.43Å; I626-L689 HydrophobicContact CG2-CD2 4.26Å; I626-L689 HydrophobicContact CG2-CG 3.97Å; F668-L689 HydrophobicContact CE1-CD1 3.89Å; F668-L689 HydrophobicContact CZ-CD1 3.86Å; V685-L689 HydrophobicContact CG1-CD1 4.27Å; V685-L689 VanDerWaalsContact O-CG 3.28Å; V685-L689 WeakPolarHBondContact O-CG 3.2Å; V685-L689 PolarHBondContact O-N 2.82Å; L689-F693 PolarHBondContact O-N 3.31Å; L689-F701 HydrophobicContact CD2-CD1 4.19Å; L689-F701 WeakPolarHBondContact O-CB 3.3Å; L689-K704 HydrophobicContact CD1-CB 3.99Å; L689-K704 HydrophobicContact CD2-CB 3.99Å; L689-A705 HydrophobicContact CB-CB 3.91Å; L689-L708 HydrophobicContact CD1-CD2 4.47Å
690	L	98.7	Very high	93.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.1	-44.5	178.1	-73.3	169.4	0	0	0	111.8	L686 G687 F693 Y694 A705 E754 L758 L1041	L686-L690 HydrophobicContact CD1-CD1 3.89Å; L686-L690 HydrophobicContact CD1-CG 4.02Å; L686-L690 HydrophobicContact CD2-CD1 4.5Å; L686-L690 HydrophobicContact CG-CD1 3.81Å; L686-L690 HydrophobicContact CG-CG 4.38Å; L686-L690 WeakPolarHBondContact O-CB 3.35Å; L686-L690 VanDerWaalsContact O-CG 3.24Å; L686-L690 WeakPolarHBondContact O-CG 3.31Å; L686-L690 PolarHBondContact O-N 2.9Å; G687-L690 PolarHBondContact O-N 3.35Å; L690-F693 WeakPolarHBondContact O-CB 3.13Å; L690-F693 PolarHBondContact O-N 3.49Å; L690-Y694 WeakPolarHBondContact O-CD2 3.25Å; L690-Y694 PolarHBondContact O-N 2.88Å; L690-A705 HydrophobicContact CD2-CB 3.95Å; L690-A705 HydrophobicContact CG-CB 4.15Å; L690-E754 HydrophobicContact CD1-CB 4.14Å; L690-E754 WeakPolarHBondContact CD1-O 3.23Å; L690-L758 HydrophobicContact CD1-CB 4.14Å; L690-L758 HydrophobicContact CD2-CB 4.08Å; L690-L758 HydrophobicContact CD2-CD1 3.98Å; L690-L1041 HydrophobicContact CB-CD2 3.78Å
691	S	97.5	Very high	93.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.9	-46.4	176.5	174.3	0	0	0	0	111.4	D630 G687 G688 F693 Y694 L695 P1040	D630-S691 WeakPolarHBondContact CB-OG 3Å; D630-S691 VanDerWaalsContact CG-OG 3.31Å; D630-S691 VanDerWaalsContact OD2-CB 3.32Å; D630-S691 WeakPolarHBondContact OD2-CB 3.42Å; D630-S691 PolarHBondContact OD2-OG 3.17Å; G687-S691 WeakPolarHBondContact O-CB 3.37Å; G687-S691 PolarHBondContact O-N 3.36Å; G688-S691 PolarHBondContact O-N 2.7Å; S691-F693 VanDerWaalsContact C-N 3.32Å; S691-F693 PolarHBondContact O-N 3Å; S691-Y694 PolarHBondContact O-N 2.92Å; S691-L695 WeakPolarHBondContact O-CB 3.46Å; S691-L695 WeakPolarHBondContact O-CG 3.45Å; S691-L695 PolarHBondContact O-N 2.92Å; S691-P1040 WeakPolarHBondContact OG-CD 3.41Å; S691-P1040 WeakPolarHBondContact OG-CG 3.29Å; S691-P1040 PolarHBondContact OG-O 2.67Å
692	A	93.8	Very high	93.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.5	-45.1	173.8	0	0	0	0	0	111.7	L629 G688 S696 F701	L629-A692 HydrophobicContact CB-CB 3.75Å; L629-A692 HydrophobicContact CD1-CB 3.67Å; L629-A692 HydrophobicContact CG-CB 4.35Å; G688-A692 VanDerWaalsContact O-CB 3.28Å; G688-A692 WeakPolarHBondContact O-CB 3.19Å; G688-A692 PolarHBondContact O-N 3.39Å; A692-S696 WeakPolarHBondContact O-CB 3.49Å; A692-S696 PolarHBondContact O-N 2.85Å; A692-S696 PolarHBondContact O-OG 2.92Å; A692-F701 HydrophobicContact CB-CB 4.27Å; A692-F701 HydrophobicContact CB-CD1 4.2Å; A692-F701 HydrophobicContact CB-CD2 3.84Å; A692-F701 HydrophobicContact CB-CE2 4.24Å; A692-F701 HydrophobicContact CB-CG 3.83Å
693	F	94.3	Very high	93.6	Very high	16 Å²	16	25 Å²	25	7%	0.07	12%	0.117	C	C	.	.	H	α-helix	trans	-60.8	-51.5	173.7	165.7	-108.6	0	0	0	112.3	L689 L690 S691 L695 S696 K697 F701 L702 A761	L689-F693 PolarHBondContact O-N 3.31Å; L690-F693 WeakPolarHBondContact O-CB 3.13Å; L690-F693 PolarHBondContact O-N 3.49Å; S691-F693 VanDerWaalsContact C-N 3.32Å; S691-F693 PolarHBondContact O-N 3Å; F693-L695 VanDerWaalsContact C-N 3.27Å; F693-L695 PolarHBondContact O-N 3.19Å; F693-S696 PolarHBondContact O-N 3.14Å; F693-K697 VanDerWaalsContact O-CA 3.23Å; F693-K697 WeakPolarHBondContact O-CA 3.2Å; F693-K697 PolarHBondContact O-N 3.48Å; F693-F701 HydrophobicContact CB-CB 4.04Å; F693-L702 HydrophobicContact CB-CB 4.48Å; F693-L702 HydrophobicContact CD1-CB 4.46Å; F693-L702 HydrophobicContact CD1-CD1 4.38Å; F693-L702 HydrophobicContact CD2-CB 3.61Å; F693-L702 HydrophobicContact CD2-CD2 4.42Å; F693-L702 HydrophobicContact CE1-CD1 4.41Å; F693-L702 HydrophobicContact CE1-CD2 4.23Å; F693-L702 HydrophobicContact CE2-CB 3.85Å; F693-L702 HydrophobicContact CE2-CD2 3.83Å; F693-L702 HydrophobicContact CE2-CG 4.38Å; F693-L702 HydrophobicContact CG-CB 3.92Å; F693-L702 HydrophobicContact CZ-CB 4.39Å; F693-L702 HydrophobicContact CZ-CD2 3.72Å; F693-L702 HydrophobicContact CZ-CG 4.48Å; F693-A761 HydrophobicContact CD1-CB 4.16Å; F693-A761 HydrophobicContact CE1-CB 3.61Å; F693-A761 HydrophobicContact CZ-CB 4.41Å
694	Y	89.1	Confident	93.6	Very high	21 Å²	21	26.6 Å²	26.6	8%	0.082	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-35.3	-174.4	-86	-69.3	0	0	0	112.4	L690 S691 K697 S757 A761 L1041 P1042	L690-Y694 WeakPolarHBondContact O-CD2 3.25Å; L690-Y694 PolarHBondContact O-N 2.88Å; S691-Y694 PolarHBondContact O-N 2.92Å; Y694-K697 WeakPolarHBondContact O-CE 3.4Å; Y694-K697 PolarHBondContact O-NZ 3.2Å; Y694-K697 VanDerWaalsContact O-NZ 3.1Å; Y694-S757 PolarHBondContact OH-O 2.73Å; Y694-A761 HydrophobicContact CE2-CB 4.38Å; Y694-A761 PolarHBondContact OH-N 2.6Å; Y694-L1041 HydrophobicContact CD2-CD2 4.34Å; Y694-P1042 HydrophobicContact CD1-CB 4.48Å; Y694-P1042 HydrophobicContact CD1-CG 3.6Å; Y694-P1042 HydrophobicContact CD2-CG 4.2Å; Y694-P1042 HydrophobicContact CE1-CG 3.5Å; Y694-P1042 HydrophobicContact CE2-CG 4.13Å; Y694-P1042 HydrophobicContact CG-CG 3.96Å
695	L	84.7	Confident	93.6	Very high	26 Å²	26	26 Å²	26	14%	0.136	12%	0.122	C	C	.	.	H	α-helix	trans	-77.2	-45	176.4	-65	179.1	0	0	0	112.6	D630 L633 I634 K638 S691 F693 L1027 Y1032 P1040	D630-L695 HydrophobicContact CB-CD1 3.65Å; L633-L695 HydrophobicContact CB-CB 4.48Å; L633-L695 HydrophobicContact CB-CD1 4.26Å; L633-L695 HydrophobicContact CD1-CB 3.83Å; L633-L695 HydrophobicContact CD1-CD1 4.4Å; I634-L695 HydrophobicContact CD1-CD1 4.31Å; I634-L695 HydrophobicContact CG1-CD1 4.01Å; K638-L695 PolarHBondContact NZ-O 2.83Å; S691-L695 WeakPolarHBondContact O-CB 3.46Å; S691-L695 WeakPolarHBondContact O-CG 3.45Å; S691-L695 PolarHBondContact O-N 2.92Å; F693-L695 VanDerWaalsContact C-N 3.27Å; F693-L695 PolarHBondContact O-N 3.19Å; L695-L1027 HydrophobicContact CD2-CD2 3.66Å; L695-Y1032 HydrophobicContact CD2-CE1 4.2Å; L695-P1040 HydrophobicContact CD1-CG 3.95Å; L695-P1040 HydrophobicContact CD2-CG 4.45Å; L695-P1040 HydrophobicContact CG-CG 4.43Å
696	S	81	Confident	93.7	Very high	9 Å²	9	32.1 Å²	32.1	6%	0.063	15%	0.145	C	C	.	.	H	α-helix	trans	-89.8	-24.8	-173.5	68	0	0	0	0	114.7	A692 F693 D698	A692-S696 WeakPolarHBondContact O-CB 3.49Å; A692-S696 PolarHBondContact O-N 2.85Å; A692-S696 PolarHBondContact O-OG 2.92Å; F693-S696 PolarHBondContact O-N 3.14Å; S696-D698 PolarHBondContact O-N 3.12Å; S696-D698 VanDerWaalsContact OG-CB 3.3Å; S696-D698 WeakPolarHBondContact OG-CB 3.39Å; S696-D698 PolarHBondContact OG-N 2.81Å
697	K	82.3	Confident	93.6	Very high	129 Å²	129	34.6 Å²	34.6	56%	0.561	16%	0.157	S	C	*	.			trans	57.1	23.2	-164.5	-53.4	-56.6	-177.1	-165.5	0	113.8	F693 Y694 E699	F693-K697 VanDerWaalsContact O-CA 3.23Å; F693-K697 WeakPolarHBondContact O-CA 3.2Å; F693-K697 PolarHBondContact O-N 3.48Å; Y694-K697 WeakPolarHBondContact O-CE 3.4Å; Y694-K697 PolarHBondContact O-NZ 3.2Å; Y694-K697 VanDerWaalsContact O-NZ 3.1Å; K697-E699 PolarHBondContact O-N 3.14Å
698	D	84.2	Confident	93.4	Very high	38 Å²	38	34.6 Å²	34.6	20%	0.203	16%	0.157	C	C	.	.			trans	-81.3	115.4	174.7	-164.4	-37.1	0	0	0	110.8	R661 S696 L700 F701	R661-D698 IonicContact CZ-OD2 3.48Å; R661-D698 VanDerWaalsContact CZ-OD2 3.23Å; R661-D698 IonicContact NE-OD2 3.31Å; R661-D698 PolarHBondContact NE-OD2 3.17Å; R661-D698 IonicContact NH2-OD1 3.76Å; R661-D698 PolarHBondContact NH2-OD1 2.94Å; R661-D698 IonicContact NH2-OD2 3.91Å; R661-D698 PolarHBondContact NH2-OD2 2.63Å; S696-D698 PolarHBondContact O-N 3.12Å; S696-D698 VanDerWaalsContact OG-CB 3.3Å; S696-D698 WeakPolarHBondContact OG-CB 3.39Å; S696-D698 PolarHBondContact OG-N 2.81Å; D698-L700 PolarHBondContact O-N 3.06Å; D698-L700 VanDerWaalsContact OD1-CB 3.23Å; D698-L700 WeakPolarHBondContact OD1-CB 3.3Å; D698-L700 PolarHBondContact OD1-N 3.26Å; D698-F701 HydrophobicContact CB-CD2 3.71Å; D698-F701 HydrophobicContact CB-CE2 3.72Å; D698-F701 PolarHBondContact O-N 2.86Å
699	E	90.5	Very high	93.4	Very high	106 Å²	106	34.6 Å²	34.6	50%	0.495	16%	0.157	S	C	.	.	H	α-helix	trans	-60.9	-21.9	-179.2	-68.3	-65.2	163.3	0	0	113.3	K697 F701 L702 Q703	K697-E699 PolarHBondContact O-N 3.14Å; E699-F701 VanDerWaalsContact C-N 3.31Å; E699-F701 PolarHBondContact O-N 3.37Å; E699-L702 PolarHBondContact O-N 3.48Å; E699-Q703 WeakPolarHBondContact O-CB 3.25Å; E699-Q703 VanDerWaalsContact O-CG 3.25Å; E699-Q703 WeakPolarHBondContact O-CG 3.47Å; E699-Q703 PolarHBondContact O-N 3Å
700	L	94.4	Very high	93.2	Very high	24 Å²	24	37.8 Å²	37.8	13%	0.126	17%	0.174	C	C	.	.	H	α-helix	trans	-54.6	-49.7	173.9	174.8	66.8	0	0	0	110.7	R661 A665 D698 L702 Q703 K704	R661-L700 HydrophobicContact CG-CD2 3.82Å; A665-L700 HydrophobicContact CB-CD1 4.18Å; A665-L700 HydrophobicContact CB-CD2 3.78Å; D698-L700 PolarHBondContact O-N 3.06Å; D698-L700 VanDerWaalsContact OD1-CB 3.23Å; D698-L700 WeakPolarHBondContact OD1-CB 3.3Å; D698-L700 PolarHBondContact OD1-N 3.26Å; L700-L702 VanDerWaalsContact C-N 3.33Å; L700-L702 PolarHBondContact O-N 3.47Å; L700-Q703 WeakPolarHBondContact O-CB 3.23Å; L700-Q703 PolarHBondContact O-N 2.91Å; L700-K704 HydrophobicContact CD1-CG 4.37Å; L700-K704 WeakPolarHBondContact O-CG 3.47Å; L700-K704 PolarHBondContact O-N 3.33Å
701	F	95.9	Very high	93	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.5	-33.5	-176.8	-53.1	-61.4	0	0	0	111.7	L629 F657 R661 I664 L689 A692 F693 D698 E699 K704 A705	L629-F701 HydrophobicContact CD1-CD1 3.9Å; L629-F701 HydrophobicContact CD1-CE1 3.65Å; L629-F701 HydrophobicContact CD1-CZ 4.35Å; L629-F701 HydrophobicContact CD2-CE1 4.09Å; L629-F701 HydrophobicContact CD2-CZ 4.22Å; F657-F701 HydrophobicContact CE1-CE2 4.2Å; F657-F701 HydrophobicContact CE1-CZ 4.14Å; F657-F701 HydrophobicContact CE2-CE2 4.41Å; F657-F701 HydrophobicContact CE2-CZ 4.21Å; F657-F701 AromaticContact CZ-CE2 3.52Å; F657-F701 HydrophobicContact CZ-CE2 3.52Å; F657-F701 AromaticContact CZ-CZ 3.55Å; F657-F701 HydrophobicContact CZ-CZ 3.55Å; R661-F701 HydrophobicContact CB-CZ 4.14Å; R661-F701 HydrophobicContact CG-CE1 4.46Å; R661-F701 HydrophobicContact CG-CZ 3.86Å; I664-F701 HydrophobicContact CD1-CE1 4.14Å; L689-F701 HydrophobicContact CD2-CD1 4.19Å; L689-F701 WeakPolarHBondContact O-CB 3.3Å; A692-F701 HydrophobicContact CB-CB 4.27Å; A692-F701 HydrophobicContact CB-CD1 4.2Å; A692-F701 HydrophobicContact CB-CD2 3.84Å; A692-F701 HydrophobicContact CB-CE2 4.24Å; A692-F701 HydrophobicContact CB-CG 3.83Å; F693-F701 HydrophobicContact CB-CB 4.04Å; D698-F701 HydrophobicContact CB-CD2 3.71Å; D698-F701 HydrophobicContact CB-CE2 3.72Å; D698-F701 PolarHBondContact O-N 2.86Å; E699-F701 VanDerWaalsContact C-N 3.31Å; E699-F701 PolarHBondContact O-N 3.37Å; F701-K704 PolarHBondContact O-N 3.48Å; F701-A705 WeakPolarHBondContact O-CB 3.33Å; F701-A705 PolarHBondContact O-N 3.33Å
702	L	97.5	Very high	92.9	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-41	172.9	-177.8	56.1	0	0	0	111.8	F693 E699 L700 A705 R706 A761 V762	F693-L702 HydrophobicContact CB-CB 4.48Å; F693-L702 HydrophobicContact CD1-CB 4.46Å; F693-L702 HydrophobicContact CD1-CD1 4.38Å; F693-L702 HydrophobicContact CD2-CB 3.61Å; F693-L702 HydrophobicContact CD2-CD2 4.42Å; F693-L702 HydrophobicContact CE1-CD1 4.41Å; F693-L702 HydrophobicContact CE1-CD2 4.23Å; F693-L702 HydrophobicContact CE2-CB 3.85Å; F693-L702 HydrophobicContact CE2-CD2 3.83Å; F693-L702 HydrophobicContact CE2-CG 4.38Å; F693-L702 HydrophobicContact CG-CB 3.92Å; F693-L702 HydrophobicContact CZ-CB 4.39Å; F693-L702 HydrophobicContact CZ-CD2 3.72Å; F693-L702 HydrophobicContact CZ-CG 4.48Å; E699-L702 PolarHBondContact O-N 3.48Å; L700-L702 VanDerWaalsContact C-N 3.33Å; L700-L702 PolarHBondContact O-N 3.47Å; L702-A705 PolarHBondContact O-N 2.9Å; L702-R706 VanDerWaalsContact O-CB 3.32Å; L702-R706 WeakPolarHBondContact O-CB 3.34Å; L702-R706 PolarHBondContact O-N 2.85Å; L702-A761 HydrophobicContact CD1-CB 3.47Å; L702-A761 VanDerWaalsContact CD1-CB 3.47Å; L702-A761 HydrophobicContact CD2-CB 4.3Å; L702-V762 HydrophobicContact CD1-CG2 3.9Å
703	Q	97.6	Very high	92.9	Very high	126 Å²	126	43.4 Å²	43.4	59%	0.589	20%	0.198	S	C	*	.	H	α-helix	trans	-61	-46.6	175.4	-72	171.1	26.5	0	0	111.2	E699 L700 R706 M707	E699-Q703 WeakPolarHBondContact O-CB 3.25Å; E699-Q703 VanDerWaalsContact O-CG 3.25Å; E699-Q703 WeakPolarHBondContact O-CG 3.47Å; E699-Q703 PolarHBondContact O-N 3Å; L700-Q703 WeakPolarHBondContact O-CB 3.23Å; L700-Q703 PolarHBondContact O-N 2.91Å; Q703-R706 PolarHBondContact O-N 2.95Å; Q703-M707 WeakPolarHBondContact O-CB 3.29Å; Q703-M707 PolarHBondContact O-N 3.21Å
704	K	97.3	Very high	92.8	Very high	34 Å²	34	44.7 Å²	44.7	15%	0.148	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-40.8	177.1	-63.2	-48	-164.8	158.6	0	112.1	I664 F668 L689 L700 F701 M707 L708	I664-K704 HydrophobicContact CG2-CG 4.23Å; F668-K704 HydrophobicContact CD1-CB 3.86Å; F668-K704 HydrophobicContact CD1-CD 3.77Å; F668-K704 HydrophobicContact CD1-CG 3.82Å; F668-K704 HydrophobicContact CE1-CB 3.81Å; F668-K704 HydrophobicContact CE1-CD 4.38Å; F668-K704 HydrophobicContact CE1-CG 4.29Å; F668-K704 PolarHBondContact O-NZ 2.66Å; L689-K704 HydrophobicContact CD1-CB 3.99Å; L689-K704 HydrophobicContact CD2-CB 3.99Å; L700-K704 HydrophobicContact CD1-CG 4.37Å; L700-K704 WeakPolarHBondContact O-CG 3.47Å; L700-K704 PolarHBondContact O-N 3.33Å; F701-K704 PolarHBondContact O-N 3.48Å; K704-M707 HydrophobicContact CD-CE 4.07Å; K704-M707 PolarHBondContact O-N 3.05Å; K704-L708 PolarHBondContact O-N 3.32Å
705	A	98	Very high	93	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-43	176.2	0	0	0	0	0	111.8	L686 L689 L690 F701 L702 L708 G709 L758	L686-A705 HydrophobicContact CD1-CB 3.85Å; L686-A705 WeakPolarHBondContact CD1-O 3.48Å; L689-A705 HydrophobicContact CB-CB 3.91Å; L690-A705 HydrophobicContact CD2-CB 3.95Å; L690-A705 HydrophobicContact CG-CB 4.15Å; F701-A705 WeakPolarHBondContact O-CB 3.33Å; F701-A705 PolarHBondContact O-N 3.33Å; L702-A705 PolarHBondContact O-N 2.9Å; A705-L708 PolarHBondContact O-N 2.86Å; A705-G709 PolarHBondContact O-N 3.46Å; A705-L758 HydrophobicContact CB-CD1 4.18Å
706	R	97.8	Very high	93.4	Very high	129 Å²	129	43.4 Å²	43.4	49%	0.487	20%	0.202	S	C	.	.	H	α-helix	trans	-62.8	-48.3	174.9	179.3	-177.9	175.7	167.8	2.6	111.6	L702 Q703 L708 G709 D710 V762	L702-R706 VanDerWaalsContact O-CB 3.32Å; L702-R706 WeakPolarHBondContact O-CB 3.34Å; L702-R706 PolarHBondContact O-N 2.85Å; Q703-R706 PolarHBondContact O-N 2.95Å; R706-L708 VanDerWaalsContact C-N 3.28Å; R706-L708 PolarHBondContact O-N 2.98Å; R706-G709 PolarHBondContact O-N 3.02Å; R706-D710 IonicContact NE-OD2 3.43Å; R706-D710 PolarHBondContact O-N 3.29Å; R706-V762 HydrophobicContact CB-CG2 4.08Å; R706-V762 HydrophobicContact CG-CG2 4.19Å
707	M	95.9	Very high	93.7	Very high	52 Å²	52	48 Å²	48	26%	0.256	23%	0.234	S	C	.	.	H	α-helix	trans	-53.2	-48.6	176.4	174.9	-172.4	66.8	0	0	110.6	F668 A670 Q703 K704 R711	F668-M707 HydrophobicContact CD1-CE 3.86Å; F668-M707 HydrophobicContact CE1-CE 3.48Å; F668-M707 VanDerWaalsContact CE1-CE 3.48Å; F668-M707 HydrophobicContact CZ-CE 4.45Å; A670-M707 HydrophobicContact CB-CE 3.86Å; A670-M707 HydrophobicContact CB-CG 4.12Å; A670-M707 HydrophobicContact CB-SD 4.3Å; Q703-M707 WeakPolarHBondContact O-CB 3.29Å; Q703-M707 PolarHBondContact O-N 3.21Å; K704-M707 HydrophobicContact CD-CE 4.07Å; K704-M707 PolarHBondContact O-N 3.05Å; M707-R711 WeakPolarHBondContact O-CG 3.45Å; M707-R711 PolarHBondContact O-N 3.01Å
708	L	95.6	Very high	94	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.2	-46.3	178.2	-178.2	58.7	0	0	0	112	A670 V681 V685 L686 L689 K704 A705 R706 D710 R711 L712	A670-L708 HydrophobicContact CB-CD1 4.14Å; V681-L708 HydrophobicContact CG1-CD1 3.92Å; V681-L708 HydrophobicContact CG1-CD2 4.1Å; V681-L708 HydrophobicContact CG1-CG 4.44Å; V685-L708 HydrophobicContact CB-CD2 3.86Å; V685-L708 HydrophobicContact CG1-CD2 3.55Å; L686-L708 HydrophobicContact CB-CD2 3.99Å; L689-L708 HydrophobicContact CD1-CD2 4.47Å; K704-L708 PolarHBondContact O-N 3.32Å; A705-L708 PolarHBondContact O-N 2.86Å; R706-L708 VanDerWaalsContact C-N 3.28Å; R706-L708 PolarHBondContact O-N 2.98Å; L708-D710 VanDerWaalsContact C-N 3.3Å; L708-D710 PolarHBondContact O-N 2.9Å; L708-R711 WeakPolarHBondContact O-CA 3.28Å; L708-R711 WeakPolarHBondContact O-CB 3.36Å; L708-R711 PolarHBondContact O-N 2.65Å; L708-L712 HydrophobicContact CD1-CD1 4.3Å; L708-L712 HydrophobicContact CD1-CD2 4.49Å; L708-L712 HydrophobicContact CD1-CG 4.19Å; L708-L712 HydrophobicContact CG-CD1 3.94Å; L708-L712 HydrophobicContact CG-CG 4.26Å; L708-L712 WeakPolarHBondContact O-CG 3.35Å; L708-L712 PolarHBondContact O-N 2.95Å
709	G	96.1	Very high	94	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-39.2	179.1	0	0	0	0	0	113.6	A705 R706 R711 L712 L713	A705-G709 PolarHBondContact O-N 3.46Å; R706-G709 PolarHBondContact O-N 3.02Å; G709-R711 VanDerWaalsContact C-N 3.27Å; G709-R711 PolarHBondContact O-N 3.23Å; G709-L712 PolarHBondContact O-N 3.02Å; G709-L713 PolarHBondContact O-N 3.28Å
710	D	95.5	Very high	93.7	Very high	68 Å²	68	47.1 Å²	47.1	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-61.5	-35.9	174.5	-73.3	-21.2	0	0	0	111.9	R706 L708 Y767	R706-D710 IonicContact NE-OD2 3.43Å; R706-D710 PolarHBondContact O-N 3.29Å; L708-D710 VanDerWaalsContact C-N 3.3Å; L708-D710 PolarHBondContact O-N 2.9Å; D710-Y767 WeakPolarHBondContact OD1-CE1 3.47Å; D710-Y767 PolarHBondContact OD1-OH 3.49Å
711	R	94.4	Very high	93.3	Very high	78 Å²	78	46.6 Å²	46.6	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-78.4	-21.1	176.8	-58.8	-56.2	-177.6	81.6	-2	113.6	A670 D671 M707 L708 G709 P714 P729	A670-R711 HydrophobicContact CB-CG 4.19Å; D671-R711 IonicContact OD1-CZ 2.9Å; D671-R711 IonicContact OD1-NH1 2.98Å; D671-R711 PolarHBondContact OD1-NH1 3.28Å; D671-R711 IonicContact OD1-NH2 2.85Å; M707-R711 WeakPolarHBondContact O-CG 3.45Å; M707-R711 PolarHBondContact O-N 3.01Å; L708-R711 WeakPolarHBondContact O-CA 3.28Å; L708-R711 WeakPolarHBondContact O-CB 3.36Å; L708-R711 PolarHBondContact O-N 2.65Å; G709-R711 VanDerWaalsContact C-N 3.27Å; G709-R711 PolarHBondContact O-N 3.23Å; R711-P714 WeakPolarHBondContact O-CD 3.31Å; R711-P729 HydrophobicContact CB-CB 4.04Å; R711-P729 WeakPolarHBondContact CB-O 3.15Å; R711-P729 WeakPolarHBondContact CD-O 3.49Å; R711-P729 VanDerWaalsContact CG-O 3.23Å; R711-P729 WeakPolarHBondContact CG-O 3.43Å; R711-P729 PolarHBondContact NH1-O 2.97Å
712	L	95	Very high	93	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-87.6	-27.8	178.8	-66.9	177.9	0	0	0	113.2	F678 V681 L686 L708 G709 P714 A715 I727 F755	F678-L712 HydrophobicContact CD2-CD2 4.24Å; F678-L712 HydrophobicContact CE2-CB 4.15Å; V681-L712 HydrophobicContact CG1-CD1 4.36Å; V681-L712 HydrophobicContact CG1-CD2 4.04Å; L686-L712 HydrophobicContact CD2-CD1 4.24Å; L708-L712 HydrophobicContact CD1-CD1 4.3Å; L708-L712 HydrophobicContact CD1-CD2 4.49Å; L708-L712 HydrophobicContact CD1-CG 4.19Å; L708-L712 HydrophobicContact CG-CD1 3.94Å; L708-L712 HydrophobicContact CG-CG 4.26Å; L708-L712 WeakPolarHBondContact O-CG 3.35Å; L708-L712 PolarHBondContact O-N 2.95Å; G709-L712 PolarHBondContact O-N 3.02Å; L712-P714 VanDerWaalsContact C-N 3.34Å; L712-A715 VanDerWaalsContact O-CB 3.26Å; L712-A715 WeakPolarHBondContact O-CB 3.3Å; L712-A715 PolarHBondContact O-N 3Å; L712-I727 HydrophobicContact CD2-CB 4.5Å; L712-I727 HydrophobicContact CD2-CG1 4.12Å; L712-I727 HydrophobicContact CD2-CG2 3.71Å; L712-F755 HydrophobicContact CB-CZ 3.91Å; L712-F755 HydrophobicContact CD1-CZ 4.43Å
713	L	94.1	Very high	92.8	Very high	40 Å²	40	46 Å²	46	21%	0.209	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-50.7	-41	179.2	-85.5	176.8	0	0	0	115.1	G709 A715 F716 F755 Y767 A770	G709-L713 PolarHBondContact O-N 3.28Å; L713-A715 PolarHBondContact O-N 2.89Å; L713-A715 VanDerWaalsContact O-N 3.12Å; L713-F716 PolarHBondContact O-N 3.07Å; L713-F716 VanDerWaalsContact O-N 3.13Å; L713-F755 HydrophobicContact CD2-CE1 4.22Å; L713-Y767 HydrophobicContact CD1-CD1 3.65Å; L713-Y767 HydrophobicContact CD1-CE1 3.51Å; L713-Y767 HydrophobicContact CD2-CD1 3.91Å; L713-Y767 HydrophobicContact CG-CD1 3.7Å; L713-Y767 HydrophobicContact CG-CE1 3.94Å; L713-A770 HydrophobicContact CD2-CB 3.95Å
714	P	92.3	Very high	92.5	Very high	43 Å²	43	41.2 Å²	41.2	28%	0.279	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-57.2	-25.5	178	-28.3	36.9	0	0	0	114.5	R711 L712 F716 S717 G732	R711-P714 WeakPolarHBondContact O-CD 3.31Å; L712-P714 VanDerWaalsContact C-N 3.34Å; P714-F716 PolarHBondContact O-N 3.49Å; P714-F716 VanDerWaalsContact O-N 3.16Å; P714-S717 VanDerWaalsContact O-CB 3.28Å; P714-S717 WeakPolarHBondContact O-CB 3.44Å; P714-S717 PolarHBondContact O-N 2.93Å; P714-S717 PolarHBondContact O-OG 3.01Å; P714-G732 WeakPolarHBondContact CB-O 3.35Å; P714-G732 WeakPolarHBondContact CG-O 3.42Å
715	A	93	Very high	92.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-56.6	-32.8	177.5	0	0	0	0	0	112.1	F678 L712 L713 S717 P723 L724 I727	F678-A715 HydrophobicContact CD2-CB 3.46Å; F678-A715 VanDerWaalsContact CD2-CB 3.46Å; F678-A715 HydrophobicContact CE2-CB 3.74Å; F678-A715 HydrophobicContact CG-CB 4.18Å; L712-A715 VanDerWaalsContact O-CB 3.26Å; L712-A715 WeakPolarHBondContact O-CB 3.3Å; L712-A715 PolarHBondContact O-N 3Å; L713-A715 PolarHBondContact O-N 2.89Å; L713-A715 VanDerWaalsContact O-N 3.12Å; A715-S717 VanDerWaalsContact C-N 3.27Å; A715-S717 PolarHBondContact O-N 3.19Å; A715-P723 HydrophobicContact CB-CB 4.26Å; A715-P723 CarbonylContact O-C 3.53Å; A715-P723 VanDerWaalsContact O-CA 3.25Å; A715-P723 WeakPolarHBondContact O-CA 3.49Å; A715-L724 PolarHBondContact O-N 3.01Å; A715-I727 HydrophobicContact CB-CD1 4.08Å
716	F	93.2	Very high	92	Very high	20 Å²	20	41 Å²	41	9%	0.088	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-78.5	-5.9	179	-63.1	-85.1	0	0	0	114.3	F678 L713 P714 T718 P723 F755 A770 A771 V774	F678-F716 HydrophobicContact CE1-CZ 4.15Å; F678-F716 AromaticContact CE2-CE2 3.86Å; F678-F716 HydrophobicContact CE2-CE2 3.86Å; F678-F716 HydrophobicContact CE2-CZ 4.21Å; F678-F716 HydrophobicContact CZ-CD2 4.5Å; F678-F716 HydrophobicContact CZ-CE1 4.28Å; F678-F716 AromaticContact CZ-CE2 3.53Å; F678-F716 HydrophobicContact CZ-CE2 3.53Å; F678-F716 AromaticContact CZ-CZ 3.41Å; F678-F716 HydrophobicContact CZ-CZ 3.41Å; F678-F716 VanDerWaalsContact CZ-CZ 3.41Å; L713-F716 PolarHBondContact O-N 3.07Å; L713-F716 VanDerWaalsContact O-N 3.13Å; P714-F716 PolarHBondContact O-N 3.49Å; P714-F716 VanDerWaalsContact O-N 3.16Å; F716-T718 PolarHBondContact O-N 3.13Å; F716-P723 HydrophobicContact CD1-CB 4Å; F716-P723 HydrophobicContact CD1-CG 4.35Å; F716-P723 HydrophobicContact CE1-CB 3.98Å; F716-P723 HydrophobicContact CE1-CG 4.04Å; F716-P723 HydrophobicContact CG-CB 4.47Å; F716-P723 HydrophobicContact CZ-CB 4.43Å; F716-F755 HydrophobicContact CE2-CD1 4.22Å; F716-F755 AromaticContact CE2-CE1 3.63Å; F716-F755 HydrophobicContact CE2-CE1 3.63Å; F716-F755 HydrophobicContact CE2-CE2 4.1Å; F716-F755 AromaticContact CE2-CZ 3.56Å; F716-F755 HydrophobicContact CE2-CZ 3.56Å; F716-F755 HydrophobicContact CZ-CE1 4.31Å; F716-F755 HydrophobicContact CZ-CE2 4.2Å; F716-F755 HydrophobicContact CZ-CZ 4.13Å; F716-A770 HydrophobicContact CB-CB 4.2Å; F716-A770 HydrophobicContact CD1-CB 4.23Å; F716-A770 HydrophobicContact CD2-CB 3.83Å; F716-A770 HydrophobicContact CE2-CB 4.19Å; F716-A770 HydrophobicContact CG-CB 3.83Å; F716-A771 HydrophobicContact CE1-CB 4.39Å; F716-A771 HydrophobicContact CZ-CB 4.11Å; F716-V774 HydrophobicContact CD1-CG2 4.04Å; F716-V774 HydrophobicContact CE1-CG2 3.83Å
717	S	88.5	Confident	91.8	Very high	104 Å²	104	34.8 Å²	34.8	73%	0.727	18%	0.175	S	C	*	.			trans	-80.6	51.3	-176.8	-58	0	0	0	0	112	P714 A715	P714-S717 VanDerWaalsContact O-CB 3.28Å; P714-S717 WeakPolarHBondContact O-CB 3.44Å; P714-S717 PolarHBondContact O-N 2.93Å; P714-S717 PolarHBondContact O-OG 3.01Å; A715-S717 VanDerWaalsContact C-N 3.27Å; A715-S717 PolarHBondContact O-N 3.19Å
718	T	88.2	Confident	91.7	Very high	23 Å²	23	32.4 Å²	32.4	14%	0.141	16%	0.163	C	C	.	.	S	Bend	trans	-107.3	161.2	178.1	65.7	0	0	0	0	111.3	F716 S720 G721 F722 L724	F716-T718 PolarHBondContact O-N 3.13Å; T718-S720 VanDerWaalsContact C-N 3.31Å; T718-S720 PolarHBondContact O-N 2.97Å; T718-S720 PolarHBondContact OG1-OG 3.32Å; T718-G721 PolarHBondContact O-N 2.8Å; T718-G721 WeakPolarHBondContact OG1-CA 3.33Å; T718-G721 PolarHBondContact OG1-N 3.46Å; T718-F722 WeakPolarHBondContact CB-O 3.44Å; T718-F722 WeakPolarHBondContact CG2-O 3.28Å; T718-F722 PolarHBondContact OG1-N 3.28Å; T718-F722 VanDerWaalsContact OG1-N 3.17Å; T718-F722 PolarHBondContact OG1-O 2.83Å; T718-L724 HydrophobicContact CG2-CD1 4.12Å; T718-L724 HydrophobicContact CG2-CD2 3.6Å; T718-L724 HydrophobicContact CG2-CG 3.47Å; T718-L724 VanDerWaalsContact CG2-CG 3.47Å
719	R	83.8	Confident	91.4	Very high	232 Å²	232	32.4 Å²	32.4	88%	0.875	16%	0.163	S	C	*	.	S	Bend	trans	-62.8	-39.5	175.6	-174.7	-178.4	-179.1	-173.6	0.4	112.2	G721	R719-G721 PolarHBondContact O-N 3.24Å
720	S	83.8	Confident	91.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-73.4	-17.8	175	61.3	0	0	0	0	111.8	T718 F722 K777 E797 W800	T718-S720 VanDerWaalsContact C-N 3.31Å; T718-S720 PolarHBondContact O-N 2.97Å; T718-S720 PolarHBondContact OG1-OG 3.32Å; S720-F722 PolarHBondContact O-N 3.47Å; S720-F722 PolarHBondContact OG-N 2.97Å; S720-K777 PolarHBondContact O-NZ 3.05Å; S720-E797 VanDerWaalsContact CB-O 3.32Å; S720-E797 WeakPolarHBondContact CB-O 3.37Å; S720-E797 PolarHBondContact OG-O 2.53Å; S720-W800 WeakPolarHBondContact O-CZ2 3.41Å
721	G	85.5	Confident	90.9	Very high	14 Å²	14	37 Å²	37	14%	0.144	19%	0.185	C	C	.	.			trans	60.5	17.8	-169.5	0	0	0	0	0	114.3	T718 R719	T718-G721 PolarHBondContact O-N 2.8Å; T718-G721 WeakPolarHBondContact OG1-CA 3.33Å; T718-G721 PolarHBondContact OG1-N 3.46Å; R719-G721 PolarHBondContact O-N 3.24Å
722	F	90.8	Very high	90.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-81	145.1	161.1	-69.9	-35.6	0	0	0	109.8	T718 S720 L748 V774 K777 L778 M781 I795	T718-F722 WeakPolarHBondContact CB-O 3.44Å; T718-F722 WeakPolarHBondContact CG2-O 3.28Å; T718-F722 PolarHBondContact OG1-N 3.28Å; T718-F722 VanDerWaalsContact OG1-N 3.17Å; T718-F722 PolarHBondContact OG1-O 2.83Å; S720-F722 PolarHBondContact O-N 3.47Å; S720-F722 PolarHBondContact OG-N 2.97Å; F722-L748 HydrophobicContact CB-CD2 3.73Å; F722-L748 HydrophobicContact CD1-CD1 4.31Å; F722-L748 HydrophobicContact CD1-CD2 4.08Å; F722-L748 HydrophobicContact CD2-CD1 4.2Å; F722-L748 HydrophobicContact CE1-CD1 4.38Å; F722-L748 HydrophobicContact CE2-CD1 4.28Å; F722-L748 HydrophobicContact CG-CD1 4.23Å; F722-L748 HydrophobicContact CG-CD2 3.89Å; F722-L748 HydrophobicContact CZ-CD1 4.36Å; F722-V774 HydrophobicContact CD1-CG1 3.82Å; F722-V774 HydrophobicContact CD1-CG2 4.44Å; F722-V774 HydrophobicContact CE1-CG1 4.03Å; F722-K777 HydrophobicContact CD1-CD 4.26Å; F722-K777 HydrophobicContact CE1-CB 3.7Å; F722-K777 HydrophobicContact CE1-CD 3.91Å; F722-K777 HydrophobicContact CE1-CG 4.45Å; F722-K777 HydrophobicContact CZ-CB 4.02Å; F722-K777 HydrophobicContact CZ-CD 4.49Å; F722-L778 HydrophobicContact CZ-CD2 4.49Å; F722-M781 HydrophobicContact CE2-SD 4.42Å; F722-M781 HydrophobicContact CZ-SD 3.9Å; F722-I795 HydrophobicContact CE2-CG2 4.14Å
723	P	92.8	Very high	90.2	Very high	3 Å²	3	37 Å²	37	2%	0.019	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-62.9	142.5	174.7	27.6	-34.8	0	0	0	110.7	F678 A715 F716 L748	F678-P723 HydrophobicContact CD1-CB 3.71Å; F678-P723 HydrophobicContact CD1-CG 4.03Å; F678-P723 HydrophobicContact CE1-CB 3.6Å; F678-P723 HydrophobicContact CE1-CG 3.77Å; F678-P723 HydrophobicContact CE2-CB 4.43Å; F678-P723 HydrophobicContact CG-CB 4.22Å; F678-P723 HydrophobicContact CZ-CB 4Å; A715-P723 HydrophobicContact CB-CB 4.26Å; A715-P723 CarbonylContact O-C 3.53Å; A715-P723 VanDerWaalsContact O-CA 3.25Å; A715-P723 WeakPolarHBondContact O-CA 3.49Å; F716-P723 HydrophobicContact CD1-CB 4Å; F716-P723 HydrophobicContact CD1-CG 4.35Å; F716-P723 HydrophobicContact CE1-CB 3.98Å; F716-P723 HydrophobicContact CE1-CG 4.04Å; F716-P723 HydrophobicContact CG-CB 4.47Å; F716-P723 HydrophobicContact CZ-CB 4.43Å; P723-L748 HydrophobicContact CG-CD2 4.08Å
724	L	91.8	Very high	89.9	Confident	25 Å²	25	36 Å²	36	13%	0.131	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-63	143	168.9	-68.2	168.5	0	0	0	110.2	F678 A715 T718 E726 G734 E797	F678-L724 WeakPolarHBondContact CB-O 3.44Å; A715-L724 PolarHBondContact O-N 3.01Å; T718-L724 HydrophobicContact CG2-CD1 4.12Å; T718-L724 HydrophobicContact CG2-CD2 3.6Å; T718-L724 HydrophobicContact CG2-CG 3.47Å; T718-L724 VanDerWaalsContact CG2-CG 3.47Å; L724-E726 VanDerWaalsContact C-N 3.34Å; L724-E726 PolarHBondContact O-N 3.32Å; L724-G734 WeakPolarHBondContact CD1-O 3.3Å; L724-E797 WeakPolarHBondContact CA-OE1 3.3Å
725	A	91.4	Very high	89.8	Confident	5 Å²	5	37.6 Å²	37.6	4%	0.041	20%	0.2	C	C	.	.	S	Bend	trans	-56.9	-44.5	-176.1	0	0	0	0	0	113.5	F678 Y737 V743 E797	F678-A725 PolarHBondContact N-O 3.42Å; A725-Y737 HydrophobicContact CB-CD1 4.16Å; A725-Y737 HydrophobicContact CB-CD2 3.55Å; A725-Y737 HydrophobicContact CB-CE1 4.15Å; A725-Y737 HydrophobicContact CB-CE2 3.55Å; A725-Y737 HydrophobicContact CB-CG 3.87Å; A725-V743 HydrophobicContact CB-CG2 4.11Å; A725-E797 PolarHBondContact N-OE1 3.41Å
726	E	92.7	Very high	89.6	Confident	24 Å²	24	39.8 Å²	39.8	11%	0.112	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.9	179.3	-63	-179.3	86.1	0	0	111.1	Y675 F676 L724 G734 K735 Y737	Y675-E726 HydrophobicContact CD1-CB 4.18Å; F676-E726 CarbonylContact O-C 3.23Å; F676-E726 WeakPolarHBondContact O-CA 3.32Å; L724-E726 VanDerWaalsContact C-N 3.34Å; L724-E726 PolarHBondContact O-N 3.32Å; E726-G734 CarbonylContact O-C 3.52Å; E726-G734 WeakPolarHBondContact O-CA 3.33Å; E726-K735 HydrophobicContact CB-CG 3.9Å; E726-K735 PolarHBondContact N-O 3Å; E726-K735 PolarHBondContact O-N 3.37Å; E726-K735 IonicContact OE1-NZ 2.73Å; E726-K735 WeakPolarHBondContact OE2-CE 3.21Å; E726-K735 IonicContact OE2-NZ 3.1Å; E726-Y737 HydrophobicContact CG-CD1 3.9Å; E726-Y737 HydrophobicContact CG-CE1 3.78Å
727	I	93.1	Very high	89.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139	178.3	-170.3	58.3	0	0	0	109.8	Y675 F676 F678 L712 A715 P729	Y675-I727 WeakPolarHBondContact CA-O 3.32Å; F676-I727 PolarHBondContact N-O 2.7Å; F676-I727 PolarHBondContact O-N 3.36Å; F678-I727 HydrophobicContact CB-CB 4.39Å; F678-I727 HydrophobicContact CB-CG2 4.16Å; F678-I727 HydrophobicContact CD2-CG2 4.5Å; L712-I727 HydrophobicContact CD2-CB 4.5Å; L712-I727 HydrophobicContact CD2-CG1 4.12Å; L712-I727 HydrophobicContact CD2-CG2 3.71Å; A715-I727 HydrophobicContact CB-CD1 4.08Å; I727-P729 HydrophobicContact CG2-CG 4.42Å; I727-P729 WeakPolarHBondContact O-CD 3.43Å
728	N	94	Very high	89.2	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	105.3	165.9	-177.3	-40.7	0	0	0	108.5	V672 D673 K674 Y675 H730 L731 G732 T733	V672-N728 PolarHBondContact O-OD1 3.33Å; D673-N728 PolarHBondContact OD1-ND2 3.11Å; K674-N728 PolarHBondContact N-ND2 2.87Å; K674-N728 WeakPolarHBondContact O-CA 3.29Å; Y675-N728 HydrophobicContact CD1-CB 3.89Å; Y675-N728 HydrophobicContact CD2-CB 4.18Å; Y675-N728 HydrophobicContact CE1-CB 3.77Å; Y675-N728 HydrophobicContact CE2-CB 4.05Å; Y675-N728 HydrophobicContact CG-CB 4.11Å; N728-H730 VanDerWaalsContact C-N 3.3Å; N728-H730 PolarHBondContact O-N 2.97Å; N728-H730 WeakPolarHBondContact OD1-CB 3.05Å; N728-H730 PolarHBondContact OD1-N 3.25Å; N728-L731 HydrophobicContact CB-CB 4.24Å; N728-L731 HydrophobicContact CB-CD1 4.46Å; N728-L731 WeakPolarHBondContact ND2-CD1 3.19Å; N728-L731 PolarHBondContact O-N 3.38Å; N728-L731 PolarHBondContact OD1-N 2.92Å; N728-G732 WeakPolarHBondContact O-CA 3.4Å; N728-G732 PolarHBondContact O-N 2.74Å; N728-T733 PolarHBondContact N-O 2.9Å; N728-T733 PolarHBondContact O-N 3.03Å
729	P	89.9	Confident	89	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.3	-176.2	-26.3	40	0	0	0	114.3	M621 A670 F676 R711 I727	M621-P729 HydrophobicContact CE-CB 4.27Å; M621-P729 HydrophobicContact CE-CG 3.84Å; A670-P729 HydrophobicContact CB-CB 4.5Å; A670-P729 CarbonylContact O-C 3.59Å; A670-P729 WeakPolarHBondContact O-CB 3.35Å; F676-P729 HydrophobicContact CD2-CG 4.3Å; R711-P729 HydrophobicContact CB-CB 4.04Å; R711-P729 WeakPolarHBondContact CB-O 3.15Å; R711-P729 WeakPolarHBondContact CD-O 3.49Å; R711-P729 VanDerWaalsContact CG-O 3.23Å; R711-P729 WeakPolarHBondContact CG-O 3.43Å; R711-P729 PolarHBondContact NH1-O 2.97Å; I727-P729 HydrophobicContact CG2-CG 4.42Å; I727-P729 WeakPolarHBondContact O-CD 3.43Å
730	H	90.6	Very high	89	Confident	74 Å²	74	41.2 Å²	41.2	34%	0.343	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-54.2	172.2	174.9	66.2	0	0	0	111.2	D671 D673 N728 G732	D671-H730 IonicContact OD1-CE1 3.1Å; D671-H730 IonicContact OD1-CG 3.27Å; D671-H730 IonicContact OD1-ND1 2.6Å; D671-H730 PolarHBondContact OD1-ND1 3.48Å; D671-H730 IonicContact OD2-CE1 3.48Å; D671-H730 IonicContact OD2-ND1 3Å; D671-H730 PolarHBondContact OD2-ND1 2.95Å; D671-H730 VanDerWaalsContact OD2-ND1 3.15Å; D673-H730 HydrophobicContact CB-CB 4.07Å; D673-H730 IonicContact OD1-CD2 2.72Å; N728-H730 VanDerWaalsContact C-N 3.3Å; N728-H730 PolarHBondContact O-N 2.97Å; N728-H730 WeakPolarHBondContact OD1-CB 3.05Å; N728-H730 PolarHBondContact OD1-N 3.25Å; H730-G732 VanDerWaalsContact C-N 3.32Å; H730-G732 PolarHBondContact O-N 3.41Å
731	L	90.5	Very high	88.8	Confident	91 Å²	91	44.9 Å²	44.9	48%	0.476	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.8	-177	-60.7	178.9	0	0	0	113.2	N728 T733	N728-L731 HydrophobicContact CB-CB 4.24Å; N728-L731 HydrophobicContact CB-CD1 4.46Å; N728-L731 WeakPolarHBondContact ND2-CD1 3.19Å; N728-L731 PolarHBondContact O-N 3.38Å; N728-L731 PolarHBondContact OD1-N 2.92Å; L731-T733 HydrophobicContact CB-CG2 4.1Å; L731-T733 WeakPolarHBondContact CB-OG1 3.37Å; L731-T733 PolarHBondContact O-N 3.33Å
732	G	84.9	Confident	88.8	Confident	21 Å²	21	46.8 Å²	46.8	22%	0.216	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	29.9	-170.9	0	0	0	0	0	112.4	P714 N728 H730	P714-G732 WeakPolarHBondContact CB-O 3.35Å; P714-G732 WeakPolarHBondContact CG-O 3.42Å; N728-G732 WeakPolarHBondContact O-CA 3.4Å; N728-G732 PolarHBondContact O-N 2.74Å; H730-G732 VanDerWaalsContact C-N 3.32Å; H730-G732 PolarHBondContact O-N 3.41Å
733	T	89.4	Confident	88.7	Confident	56 Å²	56	46.9 Å²	46.9	34%	0.344	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.5	-176.7	57.3	0	0	0	0	110.7	Y675 N728 L731	Y675-T733 WeakPolarHBondContact CE1-O 3.4Å; Y675-T733 PolarHBondContact OH-OG1 2.91Å; Y675-T733 VanDerWaalsContact OH-OG1 3.06Å; N728-T733 PolarHBondContact N-O 2.9Å; N728-T733 PolarHBondContact O-N 3.03Å; L731-T733 HydrophobicContact CB-CG2 4.1Å; L731-T733 WeakPolarHBondContact CB-OG1 3.37Å; L731-T733 PolarHBondContact O-N 3.33Å
734	G	88.5	Confident	88.7	Confident	20 Å²	20	47 Å²	47	21%	0.206	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	164.8	170.3	0	0	0	0	0	112.6	L724 E726	L724-G734 WeakPolarHBondContact CD1-O 3.3Å; E726-G734 CarbonylContact O-C 3.52Å; E726-G734 WeakPolarHBondContact O-CA 3.33Å
735	K	90.5	Very high	88.8	Confident	76 Å²	76	45.9 Å²	45.9	33%	0.33	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156	169.9	69.9	-177.5	-171.8	-170.6	0	110.7	Y675 E726	Y675-K735 HydrophobicContact CD1-CB 4.44Å; Y675-K735 HydrophobicContact CD1-CD 3.51Å; Y675-K735 HydrophobicContact CD1-CG 3.56Å; Y675-K735 HydrophobicContact CD2-CD 4.15Å; Y675-K735 HydrophobicContact CE1-CB 4.02Å; Y675-K735 HydrophobicContact CE1-CD 3.58Å; Y675-K735 HydrophobicContact CE1-CG 3.6Å; Y675-K735 HydrophobicContact CE2-CD 4.23Å; Y675-K735 HydrophobicContact CG-CD 3.79Å; Y675-K735 VanDerWaalsContact CG-CE 3.44Å; Y675-K735 HydrophobicContact CG-CG 4.3Å; E726-K735 HydrophobicContact CB-CG 3.9Å; E726-K735 PolarHBondContact N-O 3Å; E726-K735 PolarHBondContact O-N 3.37Å; E726-K735 IonicContact OE1-NZ 2.73Å; E726-K735 WeakPolarHBondContact OE2-CE 3.21Å; E726-K735 IonicContact OE2-NZ 3.1Å
736	S	88.7	Confident	89	Confident	46 Å²	46	45.7 Å²	45.7	32%	0.322	24%	0.235	S	C	.	.			trans	-67.4	156.4	167.3	-42.1	0	0	0	0	110.8	F738 E797	S736-F738 PolarHBondContact O-N 2.86Å; S736-E797 WeakPolarHBondContact CB-OE2 3.35Å; S736-E797 PolarHBondContact OG-OE2 3.01Å
737	Y	86.8	Confident	89.1	Confident	37 Å²	37	45.5 Å²	45.5	15%	0.145	23%	0.234	C	C	.	.			trans	-54.9	133.8	166.4	-72.7	-51.8	0	0	0	111	A725 E726 W739 T740 E747	A725-Y737 HydrophobicContact CB-CD1 4.16Å; A725-Y737 HydrophobicContact CB-CD2 3.55Å; A725-Y737 HydrophobicContact CB-CE1 4.15Å; A725-Y737 HydrophobicContact CB-CE2 3.55Å; A725-Y737 HydrophobicContact CB-CG 3.87Å; E726-Y737 HydrophobicContact CG-CD1 3.9Å; E726-Y737 HydrophobicContact CG-CE1 3.78Å; Y737-W739 AromaticContact CD1-CH2 3.33Å; Y737-W739 HydrophobicContact CD1-CH2 3.33Å; Y737-W739 AromaticContact CD1-CZ2 3.43Å; Y737-W739 HydrophobicContact CD1-CZ2 3.43Å; Y737-W739 VanDerWaalsContact CD1-CZ2 3.43Å; Y737-W739 AromaticContact CD1-CZ3 3.99Å; Y737-W739 HydrophobicContact CD1-CZ3 3.99Å; Y737-W739 HydrophobicContact CD2-CZ2 4.38Å; Y737-W739 AromaticContact CE1-CH2 3.75Å; Y737-W739 HydrophobicContact CE1-CH2 3.75Å; Y737-W739 AromaticContact CE1-CZ2 3.83Å; Y737-W739 HydrophobicContact CE1-CZ2 3.83Å; Y737-W739 HydrophobicContact CG-CH2 4.06Å; Y737-W739 AromaticContact CG-CZ2 3.75Å; Y737-W739 HydrophobicContact CG-CZ2 3.75Å; Y737-W739 PolarHBondContact O-N 3.28Å; Y737-T740 HydrophobicContact CD2-CG2 3.99Å; Y737-T740 HydrophobicContact CG-CG2 4.22Å; Y737-T740 PolarHBondContact O-N 3.38Å; Y737-E747 PolarHBondContact OH-OE1 3.29Å
738	F	86.2	Confident	89.1	Confident	181 Å²	181	45.5 Å²	45.5	79%	0.794	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.5	-177.6	78.6	-100.8	0	0	0	113.1	S736	S736-F738 PolarHBondContact O-N 2.86Å
739	W	82.5	Confident	89.2	Confident	161 Å²	161	45.5 Å²	45.5	61%	0.61	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-8.9	-176.2	62.8	86.8	0	0	0	114.1	Y737	Y737-W739 AromaticContact CD1-CH2 3.33Å; Y737-W739 HydrophobicContact CD1-CH2 3.33Å; Y737-W739 AromaticContact CD1-CZ2 3.43Å; Y737-W739 HydrophobicContact CD1-CZ2 3.43Å; Y737-W739 VanDerWaalsContact CD1-CZ2 3.43Å; Y737-W739 AromaticContact CD1-CZ3 3.99Å; Y737-W739 HydrophobicContact CD1-CZ3 3.99Å; Y737-W739 HydrophobicContact CD2-CZ2 4.38Å; Y737-W739 AromaticContact CE1-CH2 3.75Å; Y737-W739 HydrophobicContact CE1-CH2 3.75Å; Y737-W739 AromaticContact CE1-CZ2 3.83Å; Y737-W739 HydrophobicContact CE1-CZ2 3.83Å; Y737-W739 HydrophobicContact CG-CH2 4.06Å; Y737-W739 AromaticContact CG-CZ2 3.75Å; Y737-W739 HydrophobicContact CG-CZ2 3.75Å; Y737-W739 PolarHBondContact O-N 3.28Å
740	T	84.2	Confident	89.5	Confident	31 Å²	31	45.5 Å²	45.5	19%	0.19	23%	0.234	C	C	.	.			trans	-158.9	145.5	-174.3	-176.2	0	0	0	0	112.1	Y737 F742	Y737-T740 HydrophobicContact CD2-CG2 3.99Å; Y737-T740 HydrophobicContact CG-CG2 4.22Å; Y737-T740 PolarHBondContact O-N 3.38Å; T740-F742 VanDerWaalsContact C-N 3.29Å; T740-F742 WeakPolarHBondContact CG2-O 3.45Å; T740-F742 WeakPolarHBondContact OG1-CB 3.18Å; T740-F742 VanDerWaalsContact OG1-CD2 3.24Å; T740-F742 WeakPolarHBondContact OG1-CD2 3.17Å; T740-F742 PolarHBondContact OG1-N 2.76Å
741	S	80.3	Confident	89.8	Confident	77 Å²	77	42 Å²	42	54%	0.538	22%	0.218	S	C	.	.	S	Bend	trans	-91.5	7.1	168.8	-49.8	0	0	0	0	112.7	E797	S741-E797 PolarHBondContact O-N 2.95Å
742	F	85	Confident	90.2	Very high	53 Å²	53	37.8 Å²	37.8	23%	0.232	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.9	176.1	-62.3	-69.7	0	0	0	111.1	T740 D794 I795 Y796	T740-F742 VanDerWaalsContact C-N 3.29Å; T740-F742 WeakPolarHBondContact CG2-O 3.45Å; T740-F742 WeakPolarHBondContact OG1-CB 3.18Å; T740-F742 VanDerWaalsContact OG1-CD2 3.24Å; T740-F742 WeakPolarHBondContact OG1-CD2 3.17Å; T740-F742 PolarHBondContact OG1-N 2.76Å; F742-D794 HydrophobicContact CB-CB 4.47Å; F742-D794 HydrophobicContact CD1-CB 4.23Å; F742-D794 HydrophobicContact CG-CB 4.41Å; F742-I795 CarbonylContact C-O 3.55Å; F742-I795 VanDerWaalsContact CA-O 3.28Å; F742-I795 WeakPolarHBondContact CA-O 2.79Å; F742-Y796 HydrophobicContact CD1-CD1 4.17Å; F742-Y796 HydrophobicContact CD1-CD2 4.38Å; F742-Y796 HydrophobicContact CD1-CE1 4.31Å; F742-Y796 HydrophobicContact CD1-CG 4.21Å; F742-Y796 AromaticContact CE1-CD1 3.76Å; F742-Y796 HydrophobicContact CE1-CD1 3.76Å; F742-Y796 AromaticContact CE1-CD2 3.68Å; F742-Y796 HydrophobicContact CE1-CD2 3.68Å; F742-Y796 AromaticContact CE1-CE1 3.53Å; F742-Y796 HydrophobicContact CE1-CE1 3.53Å; F742-Y796 AromaticContact CE1-CE2 3.48Å; F742-Y796 HydrophobicContact CE1-CE2 3.48Å; F742-Y796 VanDerWaalsContact CE1-CE2 3.48Å; F742-Y796 AromaticContact CE1-CG 3.84Å; F742-Y796 HydrophobicContact CE1-CG 3.84Å; F742-Y796 AromaticContact CE1-CZ 3.38Å; F742-Y796 HydrophobicContact CE2-CE1 4.43Å; F742-Y796 HydrophobicContact CZ-CD1 4.26Å; F742-Y796 AromaticContact CZ-CE1 3.59Å; F742-Y796 HydrophobicContact CZ-CE1 3.59Å; F742-Y796 AromaticContact CZ-CE2 3.92Å; F742-Y796 HydrophobicContact CZ-CE2 3.92Å; F742-Y796 AromaticContact CZ-CZ 3.39Å; F742-Y796 WeakPolarHBondContact CZ-OH 3.32Å
743	V	89.5	Confident	90.8	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	146	165.4	180	0	0	0	0	107.6	A725 E747 L748 I795 E797	A725-V743 HydrophobicContact CB-CG2 4.11Å; V743-E747 HydrophobicContact CG1-CB 3.64Å; V743-E747 HydrophobicContact CG1-CG 4.49Å; V743-E747 VanDerWaalsContact CG1-OE2 3.23Å; V743-E747 WeakPolarHBondContact CG1-OE2 3.37Å; V743-L748 HydrophobicContact CB-CD2 4.4Å; V743-L748 HydrophobicContact CB-CG 4.39Å; V743-L748 HydrophobicContact CG1-CD1 4.48Å; V743-L748 HydrophobicContact CG1-CD2 3.75Å; V743-L748 HydrophobicContact CG1-CG 3.77Å; V743-I795 PolarHBondContact N-O 3.3Å; V743-I795 PolarHBondContact O-N 2.86Å; V743-E797 HydrophobicContact CG2-CB 3.74Å; V743-E797 HydrophobicContact CG2-CG 3.63Å
744	S	92.3	Very high	91.3	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	150.4	179	71.5	0	0	0	0	111.7	A746 E747 L748 A793 R815	S744-A746 PolarHBondContact O-N 3.21Å; S744-E747 WeakPolarHBondContact CB-OE2 3.36Å; S744-E747 PolarHBondContact N-OE2 3.44Å; S744-E747 PolarHBondContact O-N 3.13Å; S744-E747 VanDerWaalsContact OG-CB 3.31Å; S744-E747 WeakPolarHBondContact OG-CB 3.41Å; S744-E747 WeakPolarHBondContact OG-CG 3.45Å; S744-E747 PolarHBondContact OG-N 3.34Å; S744-E747 VanDerWaalsContact OG-N 3.12Å; S744-E747 PolarHBondContact OG-OE2 2.99Å; S744-L748 PolarHBondContact O-N 2.9Å; S744-A793 CarbonylContact C-O 3.57Å; S744-A793 VanDerWaalsContact CA-O 3.25Å; S744-A793 WeakPolarHBondContact CA-O 3.48Å; S744-R815 VanDerWaalsContact CB-O 3.3Å; S744-R815 WeakPolarHBondContact CB-O 3.21Å
745	L	94	Very high	91.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-35.4	174.6	174.1	67.9	0	0	0	111.4	G749 L778 M791 A793 I795 R815 A816 Y819	L745-G749 WeakPolarHBondContact O-CA 3.38Å; L745-G749 PolarHBondContact O-N 2.85Å; L745-L778 HydrophobicContact CD1-CD2 4.18Å; L745-M791 HydrophobicContact CD1-CB 3.9Å; L745-M791 HydrophobicContact CD1-CE 4.28Å; L745-M791 HydrophobicContact CD1-CG 4.38Å; L745-M791 HydrophobicContact CD2-CB 3.48Å; L745-M791 VanDerWaalsContact CD2-CB 3.48Å; L745-M791 HydrophobicContact CG-CB 4.34Å; L745-A793 PolarHBondContact N-O 2.84Å; L745-I795 HydrophobicContact CB-CD1 4.37Å; L745-I795 HydrophobicContact CD1-CD1 3.78Å; L745-R815 PolarHBondContact N-O 3.41Å; L745-A816 HydrophobicContact CD2-CB 4.17Å; L745-Y819 HydrophobicContact CD1-CD1 3.9Å; L745-Y819 HydrophobicContact CD1-CD2 4.02Å; L745-Y819 HydrophobicContact CD1-CE1 4.23Å; L745-Y819 HydrophobicContact CD1-CE2 4.34Å; L745-Y819 HydrophobicContact CD1-CG 3.76Å; L745-Y819 HydrophobicContact CD2-CD1 3.7Å; L745-Y819 HydrophobicContact CD2-CE1 4.42Å; L745-Y819 HydrophobicContact CD2-CG 4.05Å; L745-Y819 HydrophobicContact CG-CD1 3.94Å; L745-Y819 HydrophobicContact CG-CD2 4.46Å; L745-Y819 HydrophobicContact CG-CG 3.78Å
746	A	95.1	Very high	92.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-56.7	-53.7	172.6	0	0	0	0	0	111.6	F679 S744 L748 G749 T750 R815 D817	F679-A746 HydrophobicContact CZ-CB 4.38Å; S744-A746 PolarHBondContact O-N 3.21Å; A746-L748 VanDerWaalsContact C-N 3.3Å; A746-L748 PolarHBondContact O-N 3.42Å; A746-G749 PolarHBondContact O-N 2.92Å; A746-G749 VanDerWaalsContact O-N 3.16Å; A746-T750 WeakPolarHBondContact O-CB 3.36Å; A746-T750 PolarHBondContact O-N 3.02Å; A746-T750 PolarHBondContact O-OG1 2.89Å; A746-T750 VanDerWaalsContact O-OG1 3.09Å; A746-R815 PolarHBondContact N-O 3.03Å; A746-D817 WeakPolarHBondContact CA-O 3.34Å; A746-D817 WeakPolarHBondContact CB-O 3.22Å
747	E	94.4	Very high	92.6	Very high	21 Å²	21	27.4 Å²	27.4	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-58.4	-38.9	-178.4	-74.6	159.8	161.6	0	0	113	F679 Y737 V743 S744	F679-E747 HydrophobicContact CB-CB 3.96Å; F679-E747 HydrophobicContact CB-CG 3.5Å; F679-E747 VanDerWaalsContact CB-CG 3.5Å; F679-E747 HydrophobicContact CD1-CG 3.8Å; F679-E747 HydrophobicContact CG-CB 4.2Å; F679-E747 HydrophobicContact CG-CG 3.69Å; Y737-E747 PolarHBondContact OH-OE1 3.29Å; V743-E747 HydrophobicContact CG1-CB 3.64Å; V743-E747 HydrophobicContact CG1-CG 4.49Å; V743-E747 VanDerWaalsContact CG1-OE2 3.23Å; V743-E747 WeakPolarHBondContact CG1-OE2 3.37Å; S744-E747 WeakPolarHBondContact CB-OE2 3.36Å; S744-E747 PolarHBondContact N-OE2 3.44Å; S744-E747 PolarHBondContact O-N 3.13Å; S744-E747 VanDerWaalsContact OG-CB 3.31Å; S744-E747 WeakPolarHBondContact OG-CB 3.41Å; S744-E747 WeakPolarHBondContact OG-CG 3.45Å; S744-E747 PolarHBondContact OG-N 3.34Å; S744-E747 VanDerWaalsContact OG-N 3.12Å; S744-E747 PolarHBondContact OG-OE2 2.99Å
748	L	94.2	Very high	93.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-76.1	-40.4	177.4	-62.1	-179.6	0	0	0	112.2	F722 P723 V743 S744 A746 Q752 V774 L778 I795	F722-L748 HydrophobicContact CB-CD2 3.73Å; F722-L748 HydrophobicContact CD1-CD1 4.31Å; F722-L748 HydrophobicContact CD1-CD2 4.08Å; F722-L748 HydrophobicContact CD2-CD1 4.2Å; F722-L748 HydrophobicContact CE1-CD1 4.38Å; F722-L748 HydrophobicContact CE2-CD1 4.28Å; F722-L748 HydrophobicContact CG-CD1 4.23Å; F722-L748 HydrophobicContact CG-CD2 3.89Å; F722-L748 HydrophobicContact CZ-CD1 4.36Å; P723-L748 HydrophobicContact CG-CD2 4.08Å; V743-L748 HydrophobicContact CB-CD2 4.4Å; V743-L748 HydrophobicContact CB-CG 4.39Å; V743-L748 HydrophobicContact CG1-CD1 4.48Å; V743-L748 HydrophobicContact CG1-CD2 3.75Å; V743-L748 HydrophobicContact CG1-CG 3.77Å; S744-L748 PolarHBondContact O-N 2.9Å; A746-L748 VanDerWaalsContact C-N 3.3Å; A746-L748 PolarHBondContact O-N 3.42Å; L748-Q752 PolarHBondContact O-NE2 2.83Å; L748-Q752 VanDerWaalsContact O-NE2 3.14Å; L748-V774 HydrophobicContact CB-CG1 4.04Å; L748-V774 WeakPolarHBondContact O-CG1 3.45Å; L748-L778 HydrophobicContact CB-CD1 4.12Å; L748-L778 HydrophobicContact CB-CD2 4.48Å; L748-L778 HydrophobicContact CD1-CD2 4.39Å; L748-I795 HydrophobicContact CD1-CB 3.99Å; L748-I795 HydrophobicContact CD1-CD1 3.95Å; L748-I795 HydrophobicContact CD1-CG2 3.94Å
749	G	95.1	Very high	93.8	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-81.5	-10.7	-170	0	0	0	0	0	116.1	L745 A746 Q752 Y822	L745-G749 WeakPolarHBondContact O-CA 3.38Å; L745-G749 PolarHBondContact O-N 2.85Å; A746-G749 PolarHBondContact O-N 2.92Å; A746-G749 VanDerWaalsContact O-N 3.16Å; G749-Q752 VanDerWaalsContact C-OE1 3.24Å; G749-Q752 PolarHBondContact O-OE1 2.87Å; G749-Y822 VanDerWaalsContact O-CB 3.29Å; G749-Y822 WeakPolarHBondContact O-CB 3.34Å
750	T	96.9	Very high	94.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-132.5	59.8	-162.4	-53.3	0	0	0	0	112	F679 I683 A746 S818 Y819 Y822 T1036	F679-T750 HydrophobicContact CE2-CG2 3.64Å; F679-T750 HydrophobicContact CZ-CG2 4.36Å; I683-T750 HydrophobicContact CG2-CG2 3.95Å; I683-T750 WeakPolarHBondContact CG2-O 3.32Å; A746-T750 WeakPolarHBondContact O-CB 3.36Å; A746-T750 PolarHBondContact O-N 3.02Å; A746-T750 PolarHBondContact O-OG1 2.89Å; A746-T750 VanDerWaalsContact O-OG1 3.09Å; T750-S818 WeakPolarHBondContact CG2-OG 3.23Å; T750-S818 PolarHBondContact OG1-OG 3.31Å; T750-S818 VanDerWaalsContact OG1-OG 3.04Å; T750-Y819 PolarHBondContact OG1-N 2.64Å; T750-Y822 VanDerWaalsContact CA-CD1 3.46Å; T750-Y822 HydrophobicContact CG2-CD1 3.97Å; T750-Y822 HydrophobicContact CG2-CD2 3.8Å; T750-Y822 HydrophobicContact CG2-CE1 3.55Å; T750-Y822 HydrophobicContact CG2-CE2 3.41Å; T750-Y822 VanDerWaalsContact CG2-CE2 3.41Å; T750-Y822 HydrophobicContact CG2-CG 4.06Å; T750-T1036 HydrophobicContact CG2-CG2 3.76Å
751	S	97.1	Very high	95	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.081	C	C	.	.			trans	-140	-5	172.4	53.7	0	0	0	0	113.5	F755	S751-F755 VanDerWaalsContact O-CD2 3.27Å; S751-F755 WeakPolarHBondContact O-CD2 3.48Å; S751-F755 PolarHBondContact O-N 3.15Å
752	Q	98.1	Very high	95.8	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-77.9	-28.6	-164.7	-69.5	75.7	17.3	0	0	113.5	L748 G749 R756 A771 S775 Q826	L748-Q752 PolarHBondContact O-NE2 2.83Å; L748-Q752 VanDerWaalsContact O-NE2 3.14Å; G749-Q752 VanDerWaalsContact C-OE1 3.24Å; G749-Q752 PolarHBondContact O-OE1 2.87Å; Q752-R756 WeakPolarHBondContact O-CB 3.45Å; Q752-R756 PolarHBondContact O-N 2.92Å; Q752-A771 HydrophobicContact CG-CB 4.03Å; Q752-A771 WeakPolarHBondContact CG-O 3.46Å; Q752-A771 PolarHBondContact NE2-O 3.21Å; Q752-A771 VanDerWaalsContact NE2-O 3.14Å; Q752-S775 WeakPolarHBondContact CG-OG 3.21Å; Q752-Q826 HydrophobicContact CB-CG 3.8Å
753	L	98.6	Very high	96.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.9	-41	-178.5	-60.8	-179.6	0	0	0	111.1	S757 Y822 K825 Q826 Q829 V1033 N1035 L1041	L753-S757 WeakPolarHBondContact O-CB 3.46Å; L753-S757 PolarHBondContact O-N 3.5Å; L753-S757 PolarHBondContact O-OG 2.59Å; L753-Y822 HydrophobicContact CB-CE1 4.04Å; L753-Y822 HydrophobicContact CD1-CD1 4.12Å; L753-Y822 HydrophobicContact CD1-CD2 4.14Å; L753-Y822 HydrophobicContact CD1-CE1 3.8Å; L753-Y822 HydrophobicContact CD1-CE2 3.79Å; L753-Y822 HydrophobicContact CD1-CG 4.31Å; L753-Y822 HydrophobicContact CG-CD1 3.81Å; L753-Y822 HydrophobicContact CG-CE1 3.63Å; L753-Y822 HydrophobicContact CG-CE2 4.5Å; L753-Y822 HydrophobicContact CG-CG 4.37Å; L753-K825 HydrophobicContact CD1-CB 3.8Å; L753-K825 HydrophobicContact CD1-CD 4.17Å; L753-K825 HydrophobicContact CD2-CB 4.09Å; L753-Q826 HydrophobicContact CD2-CB 4.48Å; L753-Q826 HydrophobicContact CD2-CG 3.94Å; L753-Q829 HydrophobicContact CD2-CB 4.07Å; L753-Q829 HydrophobicContact CD2-CG 4.37Å; L753-Q829 VanDerWaalsContact CD2-OE1 3.29Å; L753-Q829 PolarHBondContact O-NE2 2.94Å; L753-V1033 HydrophobicContact CD2-CG2 4.43Å; L753-N1035 HydrophobicContact CD1-CB 4.2Å; L753-L1041 HydrophobicContact CB-CD1 3.84Å
754	E	98.6	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.6	-52.8	-179.1	-60.9	76.2	-168	0	0	109.9	T682 L686 L690 R756 S757 L758 Y822 N1035 L1041	T682-E754 HydrophobicContact CG2-CB 4.02Å; T682-E754 HydrophobicContact CG2-CG 4.2Å; L686-E754 HydrophobicContact CD2-CB 4.08Å; L686-E754 HydrophobicContact CG-CB 4.3Å; L690-E754 HydrophobicContact CD1-CB 4.14Å; L690-E754 WeakPolarHBondContact CD1-O 3.23Å; E754-R756 VanDerWaalsContact C-N 3.34Å; E754-R756 PolarHBondContact O-N 3.3Å; E754-S757 WeakPolarHBondContact O-CB 3.14Å; E754-S757 PolarHBondContact O-N 2.88Å; E754-S757 VanDerWaalsContact O-N 3.14Å; E754-L758 WeakPolarHBondContact O-CB 3.37Å; E754-L758 PolarHBondContact O-N 3.26Å; E754-Y822 PolarHBondContact OE1-OH 2.96Å; E754-N1035 VanDerWaalsContact OE1-CB 3.24Å; E754-N1035 WeakPolarHBondContact OE1-CB 3.3Å; E754-N1035 PolarHBondContact OE1-ND2 3.02Å; E754-L1041 HydrophobicContact CG-CD1 4.47Å
755	F	98.6	Very high	97	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.2	-35.4	179.6	-85.5	-97.2	0	0	0	112.7	F678 T682 L686 L712 L713 F716 S751 S759 Y767 A771	F678-F755 HydrophobicContact CE2-CE2 4.3Å; F678-F755 HydrophobicContact CE2-CZ 4.14Å; F678-F755 AromaticContact CZ-CE2 3.87Å; F678-F755 HydrophobicContact CZ-CE2 3.87Å; F678-F755 HydrophobicContact CZ-CZ 4.08Å; T682-F755 HydrophobicContact CG2-CD2 3.87Å; T682-F755 HydrophobicContact CG2-CE2 3.59Å; L686-F755 HydrophobicContact CD2-CD2 4.37Å; L686-F755 HydrophobicContact CD2-CE2 4.22Å; L712-F755 HydrophobicContact CB-CZ 3.91Å; L712-F755 HydrophobicContact CD1-CZ 4.43Å; L713-F755 HydrophobicContact CD2-CE1 4.22Å; F716-F755 HydrophobicContact CE2-CD1 4.22Å; F716-F755 AromaticContact CE2-CE1 3.63Å; F716-F755 HydrophobicContact CE2-CE1 3.63Å; F716-F755 HydrophobicContact CE2-CE2 4.1Å; F716-F755 AromaticContact CE2-CZ 3.56Å; F716-F755 HydrophobicContact CE2-CZ 3.56Å; F716-F755 HydrophobicContact CZ-CE1 4.31Å; F716-F755 HydrophobicContact CZ-CE2 4.2Å; F716-F755 HydrophobicContact CZ-CZ 4.13Å; S751-F755 VanDerWaalsContact O-CD2 3.27Å; S751-F755 WeakPolarHBondContact O-CD2 3.48Å; S751-F755 PolarHBondContact O-N 3.15Å; F755-S759 PolarHBondContact O-N 3.14Å; F755-S759 PolarHBondContact O-OG 2.71Å; F755-Y767 WeakPolarHBondContact CB-O 3.28Å; F755-Y767 HydrophobicContact CD1-CD1 4.41Å; F755-Y767 HydrophobicContact CD1-CG 4.5Å; F755-Y767 WeakPolarHBondContact CD1-O 3.36Å; F755-Y767 HydrophobicContact CE1-CD1 4.4Å; F755-Y767 WeakPolarHBondContact O-CB 2.99Å; F755-A771 HydrophobicContact CB-CB 3.53Å; F755-A771 HydrophobicContact CD1-CB 4.45Å; F755-A771 HydrophobicContact CD2-CB 4.28Å; F755-A771 HydrophobicContact CG-CB 3.85Å
756	R	98.5	Very high	97.2	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-50.6	169.8	-179	170.6	-55.4	118.8	0.3	110.9	Q752 E754 L758 S759 R760 E768 Q829 T830 F1044	Q752-R756 WeakPolarHBondContact O-CB 3.45Å; Q752-R756 PolarHBondContact O-N 2.92Å; E754-R756 VanDerWaalsContact C-N 3.34Å; E754-R756 PolarHBondContact O-N 3.3Å; R756-L758 VanDerWaalsContact C-N 3.3Å; R756-L758 PolarHBondContact O-N 3Å; R756-S759 WeakPolarHBondContact O-CB 3.4Å; R756-S759 PolarHBondContact O-N 2.93Å; R756-S759 VanDerWaalsContact O-N 3.13Å; R756-R760 HydrophobicContact CG-CG 4.46Å; R756-R760 WeakPolarHBondContact O-CG 3.47Å; R756-R760 PolarHBondContact O-N 3.38Å; R756-E768 HydrophobicContact CB-CG 4.12Å; R756-E768 WeakPolarHBondContact CD-OE1 3.48Å; R756-E768 HydrophobicContact CG-CG 4.22Å; R756-E768 IonicContact CZ-OE1 3.16Å; R756-E768 IonicContact NE-OE1 2.66Å; R756-E768 PolarHBondContact NE-OE1 3.38Å; R756-E768 IonicContact NH2-OE1 3.48Å; R756-Q829 VanDerWaalsContact CD-OE1 3.26Å; R756-T830 VanDerWaalsContact CZ-CG2 3.4Å; R756-F1044 HydrophobicContact CG-CD2 4.22Å; R756-F1044 HydrophobicContact CG-CE2 4.05Å
757	S	98.6	Very high	97.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-40.7	179.8	-71.6	0	0	0	0	112.9	Y694 L753 E754 R760 A761 Q829	Y694-S757 PolarHBondContact OH-O 2.73Å; L753-S757 WeakPolarHBondContact O-CB 3.46Å; L753-S757 PolarHBondContact O-N 3.5Å; L753-S757 PolarHBondContact O-OG 2.59Å; E754-S757 WeakPolarHBondContact O-CB 3.14Å; E754-S757 PolarHBondContact O-N 2.88Å; E754-S757 VanDerWaalsContact O-N 3.14Å; S757-R760 PolarHBondContact O-N 3.38Å; S757-A761 WeakPolarHBondContact O-CB 3.27Å; S757-A761 PolarHBondContact O-N 3.09Å; S757-Q829 PolarHBondContact OG-NE2 2.94Å
758	L	98.7	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.7	-45.1	174.2	-177.7	63.5	0	0	0	111.5	L686 L690 A705 E754 R756 R760 A761 V762 Y767	L686-L758 HydrophobicContact CD1-CD2 4.27Å; L686-L758 HydrophobicContact CD2-CD2 4.45Å; L690-L758 HydrophobicContact CD1-CB 4.14Å; L690-L758 HydrophobicContact CD2-CB 4.08Å; L690-L758 HydrophobicContact CD2-CD1 3.98Å; A705-L758 HydrophobicContact CB-CD1 4.18Å; E754-L758 WeakPolarHBondContact O-CB 3.37Å; E754-L758 PolarHBondContact O-N 3.26Å; R756-L758 VanDerWaalsContact C-N 3.3Å; R756-L758 PolarHBondContact O-N 3Å; L758-R760 VanDerWaalsContact C-N 3.29Å; L758-R760 PolarHBondContact O-N 3.02Å; L758-A761 PolarHBondContact O-N 3.42Å; L758-V762 HydrophobicContact CD1-CG2 3.65Å; L758-V762 HydrophobicContact CG-CG2 4.26Å; L758-V762 WeakPolarHBondContact O-CB 3.36Å; L758-V762 WeakPolarHBondContact O-CG2 3.3Å; L758-V762 PolarHBondContact O-N 3.09Å; L758-Y767 HydrophobicContact CB-CD2 4.5Å; L758-Y767 HydrophobicContact CD2-CD1 3.56Å; L758-Y767 HydrophobicContact CD2-CD2 3.9Å; L758-Y767 HydrophobicContact CD2-CE1 3.72Å; L758-Y767 HydrophobicContact CD2-CE2 3.99Å; L758-Y767 HydrophobicContact CD2-CG 3.68Å; L758-Y767 HydrophobicContact CG-CD1 4.41Å; L758-Y767 HydrophobicContact CG-CD2 3.83Å; L758-Y767 HydrophobicContact CG-CE2 3.95Å; L758-Y767 HydrophobicContact CG-CG 4.07Å
759	S	98.7	Very high	97.6	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.028	16%	0.158	C	C	.	.	H	α-helix	trans	-57.7	-43	177.2	-61.1	0	0	0	0	112.6	F755 R756 G763 N764 Y767 E768	F755-S759 PolarHBondContact O-N 3.14Å; F755-S759 PolarHBondContact O-OG 2.71Å; R756-S759 WeakPolarHBondContact O-CB 3.4Å; R756-S759 PolarHBondContact O-N 2.93Å; R756-S759 VanDerWaalsContact O-N 3.13Å; S759-G763 VanDerWaalsContact O-CA 3.28Å; S759-G763 WeakPolarHBondContact O-CA 3.3Å; S759-G763 PolarHBondContact O-N 3.38Å; S759-N764 VanDerWaalsContact CA-O 3.26Å; S759-N764 WeakPolarHBondContact CA-O 3.48Å; S759-N764 WeakPolarHBondContact CB-O 3.29Å; S759-N764 PolarHBondContact O-N 2.87Å; S759-N764 PolarHBondContact OG-O 3.33Å; S759-Y767 WeakPolarHBondContact OG-CB 3.28Å; S759-E768 VanDerWaalsContact OG-CB 3.22Å; S759-E768 WeakPolarHBondContact OG-CB 3.11Å; S759-E768 PolarHBondContact OG-N 2.65Å
760	R	97.4	Very high	97.7	Very high	133 Å²	133	26.1 Å²	26.1	50%	0.502	16%	0.159	S	C	.	.	H	α-helix	trans	-71.1	-36.9	179.6	-58.3	-56.9	166.1	165.5	-2.8	112.3	R756 S757 L758 E768 F1044	R756-R760 HydrophobicContact CG-CG 4.46Å; R756-R760 WeakPolarHBondContact O-CG 3.47Å; R756-R760 PolarHBondContact O-N 3.38Å; S757-R760 PolarHBondContact O-N 3.38Å; L758-R760 VanDerWaalsContact C-N 3.29Å; L758-R760 PolarHBondContact O-N 3.02Å; R760-E768 IonicContact CZ-OE2 2.7Å; R760-E768 VanDerWaalsContact CZ-OE2 3.27Å; R760-E768 IonicContact NE-OE2 3.66Å; R760-E768 PolarHBondContact NE-OE2 2.86Å; R760-E768 VanDerWaalsContact NE-OE2 3.1Å; R760-E768 IonicContact NH2-OE1 3.57Å; R760-E768 PolarHBondContact NH2-OE1 3.44Å; R760-E768 IonicContact NH2-OE2 2.7Å; R760-E768 PolarHBondContact NH2-OE2 2.93Å; R760-F1044 HydrophobicContact CB-CD1 4.12Å; R760-F1044 HydrophobicContact CB-CE1 3.46Å; R760-F1044 VanDerWaalsContact CB-CE1 3.46Å; R760-F1044 HydrophobicContact CB-CE2 4.22Å; R760-F1044 HydrophobicContact CB-CZ 3.51Å; R760-F1044 HydrophobicContact CG-CD1 3.91Å; R760-F1044 HydrophobicContact CG-CD2 3.96Å; R760-F1044 HydrophobicContact CG-CE1 3.64Å; R760-F1044 HydrophobicContact CG-CE2 3.7Å; R760-F1044 HydrophobicContact CG-CG 4.06Å; R760-F1044 HydrophobicContact CG-CZ 3.52Å
761	A	95.8	Very high	97.7	Very high	26 Å²	26	26.1 Å²	26.1	22%	0.215	16%	0.16	C	C	.	.	H	α-helix	trans	-71	-42.5	178.1	0	0	0	0	0	112.6	F693 Y694 L702 S757 L758	F693-A761 HydrophobicContact CD1-CB 4.16Å; F693-A761 HydrophobicContact CE1-CB 3.61Å; F693-A761 HydrophobicContact CZ-CB 4.41Å; Y694-A761 HydrophobicContact CE2-CB 4.38Å; Y694-A761 PolarHBondContact OH-N 2.6Å; L702-A761 HydrophobicContact CD1-CB 3.47Å; L702-A761 VanDerWaalsContact CD1-CB 3.47Å; L702-A761 HydrophobicContact CD2-CB 4.3Å; S757-A761 WeakPolarHBondContact O-CB 3.27Å; S757-A761 PolarHBondContact O-N 3.09Å; L758-A761 PolarHBondContact O-N 3.42Å
762	V	97.3	Very high	97.6	Very high	39 Å²	39	28.1 Å²	28.1	24%	0.236	17%	0.168	C	C	.	.	H	α-helix	trans	-84.5	-26.7	-177.8	176.1	0	0	0	0	112.4	L702 R706 L758 N764 Y767	L702-V762 HydrophobicContact CD1-CG2 3.9Å; R706-V762 HydrophobicContact CB-CG2 4.08Å; R706-V762 HydrophobicContact CG-CG2 4.19Å; L758-V762 HydrophobicContact CD1-CG2 3.65Å; L758-V762 HydrophobicContact CG-CG2 4.26Å; L758-V762 WeakPolarHBondContact O-CB 3.36Å; L758-V762 WeakPolarHBondContact O-CG2 3.3Å; L758-V762 PolarHBondContact O-N 3.09Å; V762-N764 HydrophobicContact CG1-CB 4.04Å; V762-Y767 HydrophobicContact CB-CE2 4.31Å; V762-Y767 HydrophobicContact CG1-CE2 4.26Å
763	G	96.1	Very high	97.5	Very high	66 Å²	66	34.1 Å²	34.1	68%	0.68	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	20.2	-172	0	0	0	0	0	114	S759	S759-G763 VanDerWaalsContact O-CA 3.28Å; S759-G763 WeakPolarHBondContact O-CA 3.3Å; S759-G763 PolarHBondContact O-N 3.38Å
764	N	97.6	Very high	97.4	Very high	57 Å²	57	34.1 Å²	34.1	31%	0.305	19%	0.191	S	C	.	.			trans	-113.8	113.6	177.6	178.7	6.1	0	0	0	110.2	S759 V762 A766 Y767	S759-N764 VanDerWaalsContact CA-O 3.26Å; S759-N764 WeakPolarHBondContact CA-O 3.48Å; S759-N764 WeakPolarHBondContact CB-O 3.29Å; S759-N764 PolarHBondContact O-N 2.87Å; S759-N764 PolarHBondContact OG-O 3.33Å; V762-N764 HydrophobicContact CG1-CB 4.04Å; N764-A766 PolarHBondContact O-N 3.36Å; N764-A766 VanDerWaalsContact OD1-CB 3.27Å; N764-A766 WeakPolarHBondContact OD1-CB 3.43Å; N764-A766 PolarHBondContact OD1-N 3.43Å; N764-Y767 HydrophobicContact CB-CD2 4.23Å; N764-Y767 HydrophobicContact CB-CE2 3.82Å; N764-Y767 WeakPolarHBondContact O-CD2 3.37Å
765	P	97.5	Very high	97.2	Very high	78 Å²	78	34.3 Å²	34.3	51%	0.506	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.5	-177.6	29.3	-35.6	0	0	0	114.1	Y767 E768 D769	P765-Y767 PolarHBondContact O-N 2.86Å; P765-Y767 VanDerWaalsContact O-N 3.14Å; P765-E768 PolarHBondContact O-N 3.06Å; P765-D769 WeakPolarHBondContact O-CB 3.34Å; P765-D769 VanDerWaalsContact O-CG 3.31Å; P765-D769 PolarHBondContact O-N 2.85Å
766	A	97.3	Very high	97	Very high	36 Å²	36	37.3 Å²	37.3	30%	0.298	21%	0.208	S	C	.	.	H	α-helix	trans	-56.6	-34.3	-174	0	0	0	0	0	113.7	N764 A770	N764-A766 PolarHBondContact O-N 3.36Å; N764-A766 VanDerWaalsContact OD1-CB 3.27Å; N764-A766 WeakPolarHBondContact OD1-CB 3.43Å; N764-A766 PolarHBondContact OD1-N 3.43Å; A766-A770 WeakPolarHBondContact O-CB 3.11Å; A766-A770 PolarHBondContact O-N 3.28Å; A766-A770 VanDerWaalsContact O-N 3.11Å
767	Y	98.1	Very high	96.7	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-67.4	-52.1	178.7	-48	-75.9	0	0	0	110.9	D710 L713 F755 L758 S759 V762 N764 P765 D769 A770 A771	D710-Y767 WeakPolarHBondContact OD1-CE1 3.47Å; D710-Y767 PolarHBondContact OD1-OH 3.49Å; L713-Y767 HydrophobicContact CD1-CD1 3.65Å; L713-Y767 HydrophobicContact CD1-CE1 3.51Å; L713-Y767 HydrophobicContact CD2-CD1 3.91Å; L713-Y767 HydrophobicContact CG-CD1 3.7Å; L713-Y767 HydrophobicContact CG-CE1 3.94Å; F755-Y767 WeakPolarHBondContact CB-O 3.28Å; F755-Y767 HydrophobicContact CD1-CD1 4.41Å; F755-Y767 HydrophobicContact CD1-CG 4.5Å; F755-Y767 WeakPolarHBondContact CD1-O 3.36Å; F755-Y767 HydrophobicContact CE1-CD1 4.4Å; F755-Y767 WeakPolarHBondContact O-CB 2.99Å; L758-Y767 HydrophobicContact CB-CD2 4.5Å; L758-Y767 HydrophobicContact CD2-CD1 3.56Å; L758-Y767 HydrophobicContact CD2-CD2 3.9Å; L758-Y767 HydrophobicContact CD2-CE1 3.72Å; L758-Y767 HydrophobicContact CD2-CE2 3.99Å; L758-Y767 HydrophobicContact CD2-CG 3.68Å; L758-Y767 HydrophobicContact CG-CD1 4.41Å; L758-Y767 HydrophobicContact CG-CD2 3.83Å; L758-Y767 HydrophobicContact CG-CE2 3.95Å; L758-Y767 HydrophobicContact CG-CG 4.07Å; S759-Y767 WeakPolarHBondContact OG-CB 3.28Å; V762-Y767 HydrophobicContact CB-CE2 4.31Å; V762-Y767 HydrophobicContact CG1-CE2 4.26Å; N764-Y767 HydrophobicContact CB-CD2 4.23Å; N764-Y767 HydrophobicContact CB-CE2 3.82Å; N764-Y767 WeakPolarHBondContact O-CD2 3.37Å; P765-Y767 PolarHBondContact O-N 2.86Å; P765-Y767 VanDerWaalsContact O-N 3.14Å; Y767-D769 PolarHBondContact O-N 3.34Å; Y767-A770 PolarHBondContact O-N 3.4Å; Y767-A771 PolarHBondContact O-N 3.44Å
768	E	97.8	Very high	96.4	Very high	24 Å²	24	38.6 Å²	38.6	11%	0.112	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-44.8	179.5	-177.3	171.9	-177.3	0	0	110.5	R756 S759 R760 P765 A770 A771 F772	R756-E768 HydrophobicContact CB-CG 4.12Å; R756-E768 WeakPolarHBondContact CD-OE1 3.48Å; R756-E768 HydrophobicContact CG-CG 4.22Å; R756-E768 IonicContact CZ-OE1 3.16Å; R756-E768 IonicContact NE-OE1 2.66Å; R756-E768 PolarHBondContact NE-OE1 3.38Å; R756-E768 IonicContact NH2-OE1 3.48Å; S759-E768 VanDerWaalsContact OG-CB 3.22Å; S759-E768 WeakPolarHBondContact OG-CB 3.11Å; S759-E768 PolarHBondContact OG-N 2.65Å; R760-E768 IonicContact CZ-OE2 2.7Å; R760-E768 VanDerWaalsContact CZ-OE2 3.27Å; R760-E768 IonicContact NE-OE2 3.66Å; R760-E768 PolarHBondContact NE-OE2 2.86Å; R760-E768 VanDerWaalsContact NE-OE2 3.1Å; R760-E768 IonicContact NH2-OE1 3.57Å; R760-E768 PolarHBondContact NH2-OE1 3.44Å; R760-E768 IonicContact NH2-OE2 2.7Å; R760-E768 PolarHBondContact NH2-OE2 2.93Å; P765-E768 PolarHBondContact O-N 3.06Å; E768-A770 VanDerWaalsContact C-N 3.29Å; E768-A770 PolarHBondContact O-N 2.96Å; E768-A771 PolarHBondContact O-N 3.32Å; E768-F772 WeakPolarHBondContact O-CB 3.17Å; E768-F772 PolarHBondContact O-N 2.94Å
769	D	97.3	Very high	96.1	Very high	74 Å²	74	41.5 Å²	41.5	40%	0.396	23%	0.227	S	C	.	.	H	α-helix	trans	-60.4	-39.9	179.5	-71.5	-15.6	0	0	0	111.8	P765 Y767 R773	P765-D769 WeakPolarHBondContact O-CB 3.34Å; P765-D769 VanDerWaalsContact O-CG 3.31Å; P765-D769 PolarHBondContact O-N 2.85Å; Y767-D769 PolarHBondContact O-N 3.34Å; D769-R773 WeakPolarHBondContact O-CB 3.31Å; D769-R773 VanDerWaalsContact O-CG 3.24Å; D769-R773 WeakPolarHBondContact O-CG 3.28Å; D769-R773 PolarHBondContact O-N 2.99Å; D769-R773 VanDerWaalsContact O-N 3.15Å; D769-R773 PolarHBondContact O-NE 3.08Å; D769-R773 VanDerWaalsContact O-NE 3.16Å
770	A	96.2	Very high	95.7	Very high	6 Å²	6	47.6 Å²	47.6	5%	0.05	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-52.7	177.4	0	0	0	0	0	111.7	L713 F716 A766 Y767 E768	L713-A770 HydrophobicContact CD2-CB 3.95Å; F716-A770 HydrophobicContact CB-CB 4.2Å; F716-A770 HydrophobicContact CD1-CB 4.23Å; F716-A770 HydrophobicContact CD2-CB 3.83Å; F716-A770 HydrophobicContact CE2-CB 4.19Å; F716-A770 HydrophobicContact CG-CB 3.83Å; A766-A770 WeakPolarHBondContact O-CB 3.11Å; A766-A770 PolarHBondContact O-N 3.28Å; A766-A770 VanDerWaalsContact O-N 3.11Å; Y767-A770 PolarHBondContact O-N 3.4Å; E768-A770 VanDerWaalsContact C-N 3.29Å; E768-A770 PolarHBondContact O-N 2.96Å
771	A	97.2	Very high	95.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-71.2	-36.7	-178	0	0	0	0	0	112.9	F716 Q752 F755 Y767 E768 V774	F716-A771 HydrophobicContact CE1-CB 4.39Å; F716-A771 HydrophobicContact CZ-CB 4.11Å; Q752-A771 HydrophobicContact CG-CB 4.03Å; Q752-A771 WeakPolarHBondContact CG-O 3.46Å; Q752-A771 PolarHBondContact NE2-O 3.21Å; Q752-A771 VanDerWaalsContact NE2-O 3.14Å; F755-A771 HydrophobicContact CB-CB 3.53Å; F755-A771 HydrophobicContact CD1-CB 4.45Å; F755-A771 HydrophobicContact CD2-CB 4.28Å; F755-A771 HydrophobicContact CG-CB 3.85Å; Y767-A771 PolarHBondContact O-N 3.44Å; E768-A771 PolarHBondContact O-N 3.32Å; A771-V774 WeakPolarHBondContact O-CB 3.36Å; A771-V774 PolarHBondContact O-N 2.83Å; A771-V774 VanDerWaalsContact O-N 3.16Å
772	F	96.6	Very high	94.5	Very high	41 Å²	41	41 Å²	41	18%	0.18	23%	0.227	C	C	.	.	H	α-helix	trans	-71.1	-30.9	-179.1	-170.6	-110.7	0	0	0	112.6	E768 V774 S775 L776 I834 W836 L837	E768-F772 WeakPolarHBondContact O-CB 3.17Å; E768-F772 PolarHBondContact O-N 2.94Å; F772-V774 PolarHBondContact O-N 3.47Å; F772-S775 PolarHBondContact O-N 2.86Å; F772-S775 VanDerWaalsContact O-N 3.09Å; F772-L776 HydrophobicContact CD1-CD1 4.2Å; F772-L776 HydrophobicContact CD1-CG 4.3Å; F772-L776 HydrophobicContact CE1-CD1 4.17Å; F772-L776 HydrophobicContact CE1-CD2 4.15Å; F772-L776 HydrophobicContact CE1-CG 4.1Å; F772-L776 HydrophobicContact CZ-CD2 4.47Å; F772-L776 PolarHBondContact O-N 2.78Å; F772-L776 VanDerWaalsContact O-N 3.07Å; F772-I834 HydrophobicContact CE2-CD1 3.79Å; F772-I834 HydrophobicContact CZ-CD1 3.71Å; F772-I834 HydrophobicContact CZ-CG2 4.32Å; F772-W836 HydrophobicContact CE1-CZ2 4.32Å; F772-W836 HydrophobicContact CE2-CH2 4.12Å; F772-W836 AromaticContact CE2-CZ2 3.75Å; F772-W836 HydrophobicContact CE2-CZ2 3.75Å; F772-W836 HydrophobicContact CZ-CH2 4.24Å; F772-W836 AromaticContact CZ-CZ2 3.45Å; F772-W836 HydrophobicContact CZ-CZ2 3.45Å; F772-W836 VanDerWaalsContact CZ-CZ2 3.45Å; F772-L837 HydrophobicContact CE2-CD1 4.47Å
773	R	95.5	Very high	93.6	Very high	129 Å²	129	46.1 Å²	46.1	49%	0.487	25%	0.253	S	S	.	.	H	α-helix	trans	-56.8	-31.7	169.7	-85.4	-176.2	-75.3	-107.7	1.4	112.3	D769 K777	D769-R773 WeakPolarHBondContact O-CB 3.31Å; D769-R773 VanDerWaalsContact O-CG 3.24Å; D769-R773 WeakPolarHBondContact O-CG 3.28Å; D769-R773 PolarHBondContact O-N 2.99Å; D769-R773 VanDerWaalsContact O-N 3.15Å; D769-R773 PolarHBondContact O-NE 3.08Å; D769-R773 VanDerWaalsContact O-NE 3.16Å; R773-K777 VanDerWaalsContact O-CG 3.25Å; R773-K777 WeakPolarHBondContact O-CG 3.24Å; R773-K777 PolarHBondContact O-N 3.24Å
774	V	95.1	Very high	92.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.6	-45.2	174.8	-178.9	0	0	0	0	110.9	F716 F722 L748 A771 F772 L776 K777 L778	F716-V774 HydrophobicContact CD1-CG2 4.04Å; F716-V774 HydrophobicContact CE1-CG2 3.83Å; F722-V774 HydrophobicContact CD1-CG1 3.82Å; F722-V774 HydrophobicContact CD1-CG2 4.44Å; F722-V774 HydrophobicContact CE1-CG1 4.03Å; L748-V774 HydrophobicContact CB-CG1 4.04Å; L748-V774 WeakPolarHBondContact O-CG1 3.45Å; A771-V774 WeakPolarHBondContact O-CB 3.36Å; A771-V774 PolarHBondContact O-N 2.83Å; A771-V774 VanDerWaalsContact O-N 3.16Å; F772-V774 PolarHBondContact O-N 3.47Å; V774-L776 VanDerWaalsContact C-N 3.32Å; V774-L776 PolarHBondContact O-N 3.38Å; V774-K777 WeakPolarHBondContact O-CB 3.5Å; V774-K777 PolarHBondContact O-N 2.7Å; V774-K777 VanDerWaalsContact O-N 3.12Å; V774-L778 HydrophobicContact CG1-CD1 4.11Å; V774-L778 HydrophobicContact CG1-CG 4.4Å; V774-L778 WeakPolarHBondContact O-CG 3.45Å; V774-L778 PolarHBondContact O-N 3.08Å
775	S	95.6	Very high	92	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-37.2	177.9	-61.5	0	0	0	0	112.9	Q752 F772 K777 L778 H779 Q826	Q752-S775 WeakPolarHBondContact CG-OG 3.21Å; F772-S775 PolarHBondContact O-N 2.86Å; F772-S775 VanDerWaalsContact O-N 3.09Å; S775-K777 VanDerWaalsContact C-N 3.28Å; S775-K777 PolarHBondContact O-N 2.61Å; S775-L778 PolarHBondContact O-N 2.93Å; S775-H779 WeakPolarHBondContact O-CB 3.5Å; S775-H779 PolarHBondContact O-N 3.38Å; S775-Q826 PolarHBondContact OG-NE2 3.44Å; S775-Q826 VanDerWaalsContact OG-NE2 3.11Å
776	L	94.2	Very high	91.4	Very high	63 Å²	63	44.7 Å²	44.7	33%	0.33	23%	0.225	S	C	.	.	H	α-helix	trans	-60	-39.4	174.1	-70.4	172.9	0	0	0	112.1	F772 V774 H779 E780 W836	F772-L776 HydrophobicContact CD1-CD1 4.2Å; F772-L776 HydrophobicContact CD1-CG 4.3Å; F772-L776 HydrophobicContact CE1-CD1 4.17Å; F772-L776 HydrophobicContact CE1-CD2 4.15Å; F772-L776 HydrophobicContact CE1-CG 4.1Å; F772-L776 HydrophobicContact CZ-CD2 4.47Å; F772-L776 PolarHBondContact O-N 2.78Å; F772-L776 VanDerWaalsContact O-N 3.07Å; V774-L776 VanDerWaalsContact C-N 3.32Å; V774-L776 PolarHBondContact O-N 3.38Å; L776-H779 WeakPolarHBondContact O-CB 3.28Å; L776-H779 PolarHBondContact O-N 2.84Å; L776-E780 WeakPolarHBondContact O-CG 3.44Å; L776-E780 PolarHBondContact O-N 2.58Å; L776-W836 HydrophobicContact CD2-CH2 4.22Å; L776-W836 HydrophobicContact CD2-CZ2 3.58Å; L776-W836 HydrophobicContact CG-CZ2 4.4Å
777	K	91.3	Very high	91	Very high	30 Å²	30	44.2 Å²	44.2	13%	0.13	22%	0.215	C	C	.	.	H	α-helix	trans	-71.9	-42.8	179.7	-63.4	173.3	-172.7	-174.8	0	111.9	S720 F722 R773 V774 S775 H779 E780 M781 W800	S720-K777 PolarHBondContact O-NZ 3.05Å; F722-K777 HydrophobicContact CD1-CD 4.26Å; F722-K777 HydrophobicContact CE1-CB 3.7Å; F722-K777 HydrophobicContact CE1-CD 3.91Å; F722-K777 HydrophobicContact CE1-CG 4.45Å; F722-K777 HydrophobicContact CZ-CB 4.02Å; F722-K777 HydrophobicContact CZ-CD 4.49Å; R773-K777 VanDerWaalsContact O-CG 3.25Å; R773-K777 WeakPolarHBondContact O-CG 3.24Å; R773-K777 PolarHBondContact O-N 3.24Å; V774-K777 WeakPolarHBondContact O-CB 3.5Å; V774-K777 PolarHBondContact O-N 2.7Å; V774-K777 VanDerWaalsContact O-N 3.12Å; S775-K777 VanDerWaalsContact C-N 3.28Å; S775-K777 PolarHBondContact O-N 2.61Å; K777-H779 VanDerWaalsContact C-N 3.26Å; K777-H779 PolarHBondContact O-N 2.99Å; K777-E780 PolarHBondContact O-N 2.95Å; K777-M781 VanDerWaalsContact O-CG 3.27Å; K777-M781 WeakPolarHBondContact O-CG 3.49Å; K777-M781 PolarHBondContact O-N 3.4Å; K777-W800 HydrophobicContact CB-CH2 4.27Å; K777-W800 HydrophobicContact CB-CZ3 3.69Å; K777-W800 HydrophobicContact CD-CH2 3.26Å; K777-W800 HydrophobicContact CD-CZ2 4.14Å; K777-W800 HydrophobicContact CD-CZ3 3.53Å; K777-W800 HydrophobicContact CG-CH2 3.44Å; K777-W800 VanDerWaalsContact CG-CH2 3.44Å; K777-W800 HydrophobicContact CG-CZ3 3.36Å
778	L	92.6	Very high	90.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-37.6	174.2	-66.2	174.8	0	0	0	111.3	F722 L745 L748 V774 S775 M781 S782 M791 I795 Y819	F722-L778 HydrophobicContact CZ-CD2 4.49Å; L745-L778 HydrophobicContact CD1-CD2 4.18Å; L748-L778 HydrophobicContact CB-CD1 4.12Å; L748-L778 HydrophobicContact CB-CD2 4.48Å; L748-L778 HydrophobicContact CD1-CD2 4.39Å; V774-L778 HydrophobicContact CG1-CD1 4.11Å; V774-L778 HydrophobicContact CG1-CG 4.4Å; V774-L778 WeakPolarHBondContact O-CG 3.45Å; V774-L778 PolarHBondContact O-N 3.08Å; S775-L778 PolarHBondContact O-N 2.93Å; L778-M781 PolarHBondContact O-N 3.49Å; L778-S782 PolarHBondContact O-N 2.85Å; L778-M791 HydrophobicContact CD2-CE 4.03Å; L778-I795 HydrophobicContact CD2-CD1 3.75Å; L778-Y819 HydrophobicContact CB-CE2 4.06Å; L778-Y819 HydrophobicContact CD1-CD2 4.01Å; L778-Y819 HydrophobicContact CD1-CE2 3.69Å; L778-Y819 HydrophobicContact CG-CE2 4.45Å
779	H	93.1	Very high	90.3	Very high	61 Å²	61	48 Å²	48	28%	0.282	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-47.5	172.4	173.6	63.1	0	0	0	112	S775 L776 K777 M781 S782 W836 D840	S775-H779 WeakPolarHBondContact O-CB 3.5Å; S775-H779 PolarHBondContact O-N 3.38Å; L776-H779 WeakPolarHBondContact O-CB 3.28Å; L776-H779 PolarHBondContact O-N 2.84Å; K777-H779 VanDerWaalsContact C-N 3.26Å; K777-H779 PolarHBondContact O-N 2.99Å; H779-M781 VanDerWaalsContact C-N 3.26Å; H779-M781 PolarHBondContact O-N 2.9Å; H779-S782 VanDerWaalsContact O-CB 3.3Å; H779-S782 WeakPolarHBondContact O-CB 3.21Å; H779-S782 PolarHBondContact O-N 3.02Å; H779-S782 PolarHBondContact O-OG 3.48Å; H779-W836 HydrophobicContact CB-CE3 3.91Å; H779-W836 HydrophobicContact CB-CH2 4.47Å; H779-W836 HydrophobicContact CB-CZ3 3.75Å; H779-W836 AromaticContact CG-CE3 3.74Å; H779-W836 AromaticContact ND1-CE3 3.79Å; H779-D840 IonicContact CE1-OD1 3.46Å; H779-D840 PolarHBondContact CE1-OD1 3.02Å; H779-D840 IonicContact CE1-OD2 3.78Å; H779-D840 IonicContact CG-OD2 3.92Å; H779-D840 VanDerWaalsContact ND1-CG 3.26Å; H779-D840 IonicContact ND1-OD1 2.87Å; H779-D840 PolarHBondContact ND1-OD1 3.22Å; H779-D840 VanDerWaalsContact ND1-OD1 3.1Å; H779-D840 IonicContact ND1-OD2 2.73Å; H779-D840 PolarHBondContact ND1-OD2 3.28Å
780	E	89.5	Confident	90.1	Very high	131 Å²	131	44.5 Å²	44.5	61%	0.612	23%	0.227	S	C	*	.	H	α-helix	trans	-61	-34.6	176.3	-71.3	170.1	-179.6	0	0	112.6	L776 K777	L776-E780 WeakPolarHBondContact O-CG 3.44Å; L776-E780 PolarHBondContact O-N 2.58Å; K777-E780 PolarHBondContact O-N 2.95Å
781	M	85.6	Confident	89.9	Confident	7 Å²	7	44.3 Å²	44.3	3%	0.034	23%	0.225	C	C	.	.	H	α-helix	trans	-81.2	-16.1	179.2	-66.4	172.4	65.8	0	0	113.9	F722 K777 L778 H779 N783 M784 M791 I795 V802	F722-M781 HydrophobicContact CE2-SD 4.42Å; F722-M781 HydrophobicContact CZ-SD 3.9Å; K777-M781 VanDerWaalsContact O-CG 3.27Å; K777-M781 WeakPolarHBondContact O-CG 3.49Å; K777-M781 PolarHBondContact O-N 3.4Å; L778-M781 PolarHBondContact O-N 3.49Å; H779-M781 VanDerWaalsContact C-N 3.26Å; H779-M781 PolarHBondContact O-N 2.9Å; M781-N783 PolarHBondContact O-N 2.89Å; M781-M784 WeakPolarHBondContact O-CB 3.31Å; M781-M784 PolarHBondContact O-N 3.16Å; M781-M791 HydrophobicContact CB-CE 3.96Å; M781-M791 HydrophobicContact CB-SD 4.46Å; M781-I795 HydrophobicContact CE-CG2 3.98Å; M781-V802 HydrophobicContact CE-CG2 3.72Å
782	S	83.5	Confident	89.7	Confident	15 Å²	15	44.3 Å²	44.3	11%	0.105	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.8	-171.1	67.1	0	0	0	0	114.7	L778 H779	L778-S782 PolarHBondContact O-N 2.85Å; H779-S782 VanDerWaalsContact O-CB 3.3Å; H779-S782 WeakPolarHBondContact O-CB 3.21Å; H779-S782 PolarHBondContact O-N 3.02Å; H779-S782 PolarHBondContact O-OG 3.48Å
783	N	77.5	Confident	89.5	Confident	145 Å²	145	42.4 Å²	42.4	78%	0.775	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-0.2	-179.8	-76.3	-33.5	0	0	0	114.4	M781	M781-N783 PolarHBondContact O-N 2.89Å
784	M	78.1	Confident	89.1	Confident	93 Å²	93	37.3 Å²	37.3	46%	0.458	20%	0.199	S	C	.	.			trans	-89.7	3.9	-172.6	-61	-176.3	72.1	0	0	114	M781 V802 Y805	M781-M784 WeakPolarHBondContact O-CB 3.31Å; M781-M784 PolarHBondContact O-N 3.16Å; M784-V802 HydrophobicContact CB-CG2 4.45Å; M784-Y805 WeakPolarHBondContact CB-OH 3.43Å; M784-Y805 WeakPolarHBondContact O-CE1 3.47Å; M784-Y805 PolarHBondContact O-OH 3.19Å
785	S	82.4	Confident	88.8	Confident	16 Å²	16	37.3 Å²	37.3	11%	0.112	20%	0.199	C	C	.	.	S	Bend	trans	-86.9	151.2	-172.4	177.6	0	0	0	0	114.8	Y787 L790 Y810	S785-Y787 WeakPolarHBondContact CB-O 3.03Å; S785-Y787 PolarHBondContact O-N 3.44Å; S785-Y787 PolarHBondContact OG-N 2.77Å; S785-Y787 PolarHBondContact OG-O 3.35Å; S785-Y787 VanDerWaalsContact OG-O 3.06Å; S785-L790 WeakPolarHBondContact CB-O 2.78Å; S785-L790 PolarHBondContact OG-O 2.93Å; S785-Y810 WeakPolarHBondContact OG-CE1 3.41Å
786	I	85.1	Confident	88.1	Confident	63 Å²	63	40.2 Å²	40.2	32%	0.323	21%	0.21	S	C	.	.	S	Bend	trans	-68.6	-16.1	168.8	59.2	164	0	0	0	113	Y805 Y810	I786-Y805 HydrophobicContact CG2-CD1 4.09Å; I786-Y805 HydrophobicContact CG2-CG 4.02Å; I786-Y810 HydrophobicContact CD1-CE2 4.1Å; I786-Y810 HydrophobicContact CG1-CE2 3.99Å; I786-Y810 WeakPolarHBondContact CG1-OH 3.31Å
787	Y	89.7	Confident	87.4	Confident	25 Å²	25	37.3 Å²	37.3	10%	0.098	20%	0.195	C	C	.	.	S	Bend	trans	-115.8	94.6	170.4	-64.4	-72.1	0	0	0	108	S785 G789 L790 Y810 Y851 Y867 G869	S785-Y787 WeakPolarHBondContact CB-O 3.03Å; S785-Y787 PolarHBondContact O-N 3.44Å; S785-Y787 PolarHBondContact OG-N 2.77Å; S785-Y787 PolarHBondContact OG-O 3.35Å; S785-Y787 VanDerWaalsContact OG-O 3.06Å; Y787-G789 PolarHBondContact O-N 2.62Å; Y787-L790 PolarHBondContact O-N 3.24Å; Y787-Y810 HydrophobicContact CD2-CD1 4.16Å; Y787-Y810 AromaticContact CD2-CD2 3.55Å; Y787-Y810 HydrophobicContact CD2-CD2 3.55Å; Y787-Y810 HydrophobicContact CD2-CE1 4.31Å; Y787-Y810 AromaticContact CD2-CE2 3.73Å; Y787-Y810 HydrophobicContact CD2-CE2 3.73Å; Y787-Y810 AromaticContact CD2-CG 3.79Å; Y787-Y810 HydrophobicContact CD2-CG 3.79Å; Y787-Y810 AromaticContact CE2-CD2 3.72Å; Y787-Y810 HydrophobicContact CE2-CD2 3.72Å; Y787-Y810 AromaticContact CE2-CE2 3.93Å; Y787-Y810 HydrophobicContact CE2-CE2 3.93Å; Y787-Y810 HydrophobicContact CE2-CG 4.34Å; Y787-Y851 AromaticContact CD1-CD1 3.68Å; Y787-Y851 HydrophobicContact CD1-CD1 3.68Å; Y787-Y851 HydrophobicContact CD1-CD2 4.45Å; Y787-Y851 AromaticContact CD1-CE1 3.81Å; Y787-Y851 HydrophobicContact CD1-CE1 3.81Å; Y787-Y851 HydrophobicContact CD1-CG 4.03Å; Y787-Y851 HydrophobicContact CE1-CD1 4.22Å; Y787-Y867 HydrophobicContact CE1-CD2 4.44Å; Y787-Y867 HydrophobicContact CE1-CE1 4.49Å; Y787-Y867 HydrophobicContact CE1-CE2 4.33Å; Y787-Y867 HydrophobicContact CE2-CD1 4.41Å; Y787-Y867 HydrophobicContact CE2-CD2 4.45Å; Y787-Y867 HydrophobicContact CE2-CG 4.09Å; Y787-Y867 AromaticContact CZ-CD1 3.84Å; Y787-Y867 AromaticContact CZ-CG 3.87Å; Y787-Y867 WeakPolarHBondContact OH-CD1 3.4Å; Y787-Y867 WeakPolarHBondContact OH-CE1 3.19Å; Y787-G869 WeakPolarHBondContact CE2-O 3.19Å; Y787-G869 PolarHBondContact OH-O 2.87Å
788	P	90.1	Very high	86.6	Confident	84 Å²	84	39.9 Å²	39.9	55%	0.545	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	129.2	-178.2	-30.6	35.4	0	0	0	112.8	L790 A847	P788-L790 VanDerWaalsContact C-N 3.32Å; P788-L790 PolarHBondContact O-N 3.24Å; P788-A847 VanDerWaalsContact O-CB 3.31Å; P788-A847 WeakPolarHBondContact O-CB 3.46Å
789	G	90.7	Very high	85.4	Confident	20 Å²	20	45.2 Å²	45.2	21%	0.206	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	87	-16.9	-176.2	0	0	0	0	0	115.2	Y787 G844	Y787-G789 PolarHBondContact O-N 2.62Å; G789-G844 WeakPolarHBondContact O-CA 3.37Å
790	L	92.9	Very high	83.8	Confident	1 Å²	1	48 Å²	48	1%	0.005	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-98	129	173.9	-62.3	-175.8	0	0	0	111.8	S785 Y787 P788 Y810 Y820 A847 V848 Y851 L852	S785-L790 WeakPolarHBondContact CB-O 2.78Å; S785-L790 PolarHBondContact OG-O 2.93Å; Y787-L790 PolarHBondContact O-N 3.24Å; P788-L790 VanDerWaalsContact C-N 3.32Å; P788-L790 PolarHBondContact O-N 3.24Å; L790-Y810 HydrophobicContact CB-CD1 3.94Å; L790-Y820 WeakPolarHBondContact CA-OH 3.49Å; L790-A847 HydrophobicContact CD2-CB 3.77Å; L790-A847 HydrophobicContact CG-CB 3.83Å; L790-V848 HydrophobicContact CD2-CG2 3.65Å; L790-Y851 HydrophobicContact CD1-CD2 3.99Å; L790-Y851 HydrophobicContact CD1-CG 4.33Å; L790-Y851 HydrophobicContact CG-CD2 4.27Å; L790-L852 HydrophobicContact CD1-CD1 4.33Å; L790-L852 HydrophobicContact CD1-CD2 4.03Å; L790-L852 HydrophobicContact CD1-CG 4.05Å
791	M	92	Very high	82.4	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-86.7	145.4	167.8	-72.9	-68.6	-75.5	0	0	111	L745 L778 M781 I795 Y819 Y820	L745-M791 HydrophobicContact CD1-CB 3.9Å; L745-M791 HydrophobicContact CD1-CE 4.28Å; L745-M791 HydrophobicContact CD1-CG 4.38Å; L745-M791 HydrophobicContact CD2-CB 3.48Å; L745-M791 VanDerWaalsContact CD2-CB 3.48Å; L745-M791 HydrophobicContact CG-CB 4.34Å; L778-M791 HydrophobicContact CD2-CE 4.03Å; M781-M791 HydrophobicContact CB-CE 3.96Å; M781-M791 HydrophobicContact CB-SD 4.46Å; M791-I795 HydrophobicContact CE-CD1 3.9Å; M791-Y819 HydrophobicContact CB-CE1 4.36Å; M791-Y819 HydrophobicContact CG-CE1 3.97Å; M791-Y820 PolarHBondContact N-OH 3.31Å
792	P	92.2	Very high	81.2	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-72.6	145.3	172	25.8	-24.4	0	0	0	110.9	D794 V802 A808 T809 Y810	P792-D794 PolarHBondContact O-N 2.81Å; P792-V802 HydrophobicContact CB-CG1 4.37Å; P792-V802 HydrophobicContact CG-CG1 3.24Å; P792-A808 HydrophobicContact CB-CB 3.69Å; P792-T809 CarbonylContact C-O 3.46Å; P792-T809 WeakPolarHBondContact CA-O 3.5Å; P792-Y810 HydrophobicContact CB-CD1 4.35Å; P792-Y810 HydrophobicContact CB-CE1 3.84Å; P792-Y810 HydrophobicContact CG-CE1 4.31Å
793	A	91.9	Very high	80	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.008	23%	0.23	C	C	.	.	S	Bend	trans	-65.2	-15.7	179.1	0	0	0	0	0	113.6	S744 L745 T809 R815 A816	S744-A793 CarbonylContact C-O 3.57Å; S744-A793 VanDerWaalsContact CA-O 3.25Å; S744-A793 WeakPolarHBondContact CA-O 3.48Å; L745-A793 PolarHBondContact N-O 2.84Å; A793-T809 HydrophobicContact CB-CG2 4.45Å; A793-T809 WeakPolarHBondContact CB-O 2.98Å; A793-T809 PolarHBondContact N-O 2.81Å; A793-R815 HydrophobicContact CB-CB 4.27Å; A793-A816 HydrophobicContact CB-CB 3.96Å
794	D	89.1	Confident	79.1	Confident	23 Å²	23	47.8 Å²	47.8	12%	0.123	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	119.2	-176.7	-79.4	-70.2	0	0	0	111.1	F742 P792 S803 R815	F742-D794 HydrophobicContact CB-CB 4.47Å; F742-D794 HydrophobicContact CD1-CB 4.23Å; F742-D794 HydrophobicContact CG-CB 4.41Å; P792-D794 PolarHBondContact O-N 2.81Å; D794-S803 PolarHBondContact O-OG 2.88Å; D794-R815 IonicContact OD1-CZ 2.75Å; D794-R815 IonicContact OD1-NH1 3.59Å; D794-R815 PolarHBondContact OD1-NH1 2.82Å; D794-R815 IonicContact OD1-NH2 2.64Å; D794-R815 PolarHBondContact OD1-NH2 3.13Å; D794-R815 IonicContact OD2-CZ 3.74Å; D794-R815 IonicContact OD2-NH1 3.84Å; D794-R815 PolarHBondContact OD2-NH1 3.5Å
795	I	87.5	Confident	78.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.9	-179.5	-62.4	172.9	0	0	0	109.2	F722 F742 V743 L745 L748 L778 M781 M791 E797	F722-I795 HydrophobicContact CE2-CG2 4.14Å; F742-I795 CarbonylContact C-O 3.55Å; F742-I795 VanDerWaalsContact CA-O 3.28Å; F742-I795 WeakPolarHBondContact CA-O 2.79Å; V743-I795 PolarHBondContact N-O 3.3Å; V743-I795 PolarHBondContact O-N 2.86Å; L745-I795 HydrophobicContact CB-CD1 4.37Å; L745-I795 HydrophobicContact CD1-CD1 3.78Å; L748-I795 HydrophobicContact CD1-CB 3.99Å; L748-I795 HydrophobicContact CD1-CD1 3.95Å; L748-I795 HydrophobicContact CD1-CG2 3.94Å; L778-I795 HydrophobicContact CD2-CD1 3.75Å; M781-I795 HydrophobicContact CE-CG2 3.98Å; M791-I795 HydrophobicContact CE-CD1 3.9Å; I795-E797 PolarHBondContact O-N 3.4Å
796	Y	82	Confident	77.7	Confident	63 Å²	63	51.1 Å²	51.1	25%	0.247	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	130.3	175	-79.9	-80.7	0	0	0	110.7	F742 E799 V801	F742-Y796 HydrophobicContact CD1-CD1 4.17Å; F742-Y796 HydrophobicContact CD1-CD2 4.38Å; F742-Y796 HydrophobicContact CD1-CE1 4.31Å; F742-Y796 HydrophobicContact CD1-CG 4.21Å; F742-Y796 AromaticContact CE1-CD1 3.76Å; F742-Y796 HydrophobicContact CE1-CD1 3.76Å; F742-Y796 AromaticContact CE1-CD2 3.68Å; F742-Y796 HydrophobicContact CE1-CD2 3.68Å; F742-Y796 AromaticContact CE1-CE1 3.53Å; F742-Y796 HydrophobicContact CE1-CE1 3.53Å; F742-Y796 AromaticContact CE1-CE2 3.48Å; F742-Y796 HydrophobicContact CE1-CE2 3.48Å; F742-Y796 VanDerWaalsContact CE1-CE2 3.48Å; F742-Y796 AromaticContact CE1-CG 3.84Å; F742-Y796 HydrophobicContact CE1-CG 3.84Å; F742-Y796 AromaticContact CE1-CZ 3.38Å; F742-Y796 HydrophobicContact CE2-CE1 4.43Å; F742-Y796 HydrophobicContact CZ-CD1 4.26Å; F742-Y796 AromaticContact CZ-CE1 3.59Å; F742-Y796 HydrophobicContact CZ-CE1 3.59Å; F742-Y796 AromaticContact CZ-CE2 3.92Å; F742-Y796 HydrophobicContact CZ-CE2 3.92Å; F742-Y796 AromaticContact CZ-CZ 3.39Å; F742-Y796 WeakPolarHBondContact CZ-OH 3.32Å; Y796-E799 VanDerWaalsContact O-O 3.13Å; Y796-V801 HydrophobicContact CD2-CB 4.42Å; Y796-V801 WeakPolarHBondContact CD2-O 3.2Å
797	E	78.9	Confident	77.2	Confident	3 Å²	3	55.6 Å²	55.6	1%	0.014	26%	0.261	C	S	.	.	S	Bend	trans	-66.1	-45.7	-175.2	-168.5	-173.8	-128.5	0	0	113.2	S720 L724 A725 S736 S741 V743 I795	S720-E797 VanDerWaalsContact CB-O 3.32Å; S720-E797 WeakPolarHBondContact CB-O 3.37Å; S720-E797 PolarHBondContact OG-O 2.53Å; L724-E797 WeakPolarHBondContact CA-OE1 3.3Å; A725-E797 PolarHBondContact N-OE1 3.41Å; S736-E797 WeakPolarHBondContact CB-OE2 3.35Å; S736-E797 PolarHBondContact OG-OE2 3.01Å; S741-E797 PolarHBondContact O-N 2.95Å; V743-E797 HydrophobicContact CG2-CB 3.74Å; V743-E797 HydrophobicContact CG2-CG 3.63Å; I795-E797 PolarHBondContact O-N 3.4Å
798	Q	74.8	Confident	77.1	Confident	83 Å²	83	54.5 Å²	54.5	39%	0.388	26%	0.257	S	S	.	.	S	Bend	trans	-98.7	-7.5	-171	-62.4	-62.7	-32.5	0	0	113.7
799	E	66.8	Low	77.2	Confident	112 Å²	112	52 Å²	52	52%	0.523	24%	0.241	S	C	.	.	S	Bend	trans	-125	146	-176	-67.4	-169.8	174.7	0	0	111.7	Y796 V801	Y796-E799 VanDerWaalsContact O-O 3.13Å; E799-V801 HydrophobicContact CB-CB 4.27Å; E799-V801 HydrophobicContact CB-CG2 4.16Å; E799-V801 PolarHBondContact O-N 3.03Å
800	W	59.7	Low	77.4	Confident	121 Å²	121	51 Å²	51	46%	0.458	23%	0.231	S	C	.	.	S	Bend	trans	-77.3	36.1	173.1	-58.3	90.4	0	0	0	112	S720 K777	S720-W800 WeakPolarHBondContact O-CZ2 3.41Å; K777-W800 HydrophobicContact CB-CH2 4.27Å; K777-W800 HydrophobicContact CB-CZ3 3.69Å; K777-W800 HydrophobicContact CD-CH2 3.26Å; K777-W800 HydrophobicContact CD-CZ2 4.14Å; K777-W800 HydrophobicContact CD-CZ3 3.53Å; K777-W800 HydrophobicContact CG-CH2 3.44Å; K777-W800 VanDerWaalsContact CG-CH2 3.44Å; K777-W800 HydrophobicContact CG-CZ3 3.36Å
801	V	60.5	Low	77.5	Confident	73 Å²	73	51.1 Å²	51.1	44%	0.442	23%	0.231	S	C	.	.			trans	-119.5	130.7	-173.5	-176.8	0	0	0	0	107.6	Y796 E799	Y796-V801 HydrophobicContact CD2-CB 4.42Å; Y796-V801 WeakPolarHBondContact CD2-O 3.2Å; E799-V801 HydrophobicContact CB-CB 4.27Å; E799-V801 HydrophobicContact CB-CG2 4.16Å; E799-V801 PolarHBondContact O-N 3.03Å
802	V	60.7	Low	77.6	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.036	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-75.6	139	171.8	179.9	0	0	0	0	108.2	M781 M784 P792 R804 Y805	M781-V802 HydrophobicContact CE-CG2 3.72Å; M784-V802 HydrophobicContact CB-CG2 4.45Å; P792-V802 HydrophobicContact CB-CG1 4.37Å; P792-V802 HydrophobicContact CG-CG1 3.24Å; V802-R804 PolarHBondContact O-N 2.86Å; V802-Y805 HydrophobicContact CB-CE1 3.93Å; V802-Y805 HydrophobicContact CG1-CD1 4.23Å; V802-Y805 HydrophobicContact CG1-CE1 3.68Å
803	S	58.5	Low	77.7	Confident	8 Å²	8	51 Å²	51	6%	0.056	23%	0.231	C	C	.	.			trans	-43	139.7	173.6	58.1	0	0	0	0	110.9	D794 Y805 A808	D794-S803 PolarHBondContact O-OG 2.88Å; S803-Y805 PolarHBondContact O-N 2.87Å; S803-A808 WeakPolarHBondContact OG-CB 3.4Å
804	R	58.1	Low	77.7	Confident	206 Å²	206	53 Å²	53	78%	0.777	25%	0.247	S	C	*	.			trans	-45.8	112.1	-175.9	-71.8	-172.6	-175.8	-170.5	2.6	109.4	V802 N806 F807	V802-R804 PolarHBondContact O-N 2.86Å; R804-N806 PolarHBondContact O-N 3.34Å; R804-F807 PolarHBondContact O-N 3.07Å; R804-F807 VanDerWaalsContact O-N 3.14Å
805	Y	61.7	Low	77.9	Confident	72 Å²	72	57 Å²	57	28%	0.282	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-24.9	-163.9	-66.8	-75.2	0	0	0	116	M784 I786 V802 S803 F807	M784-Y805 WeakPolarHBondContact CB-OH 3.43Å; M784-Y805 WeakPolarHBondContact O-CE1 3.47Å; M784-Y805 PolarHBondContact O-OH 3.19Å; I786-Y805 HydrophobicContact CG2-CD1 4.09Å; I786-Y805 HydrophobicContact CG2-CG 4.02Å; V802-Y805 HydrophobicContact CB-CE1 3.93Å; V802-Y805 HydrophobicContact CG1-CD1 4.23Å; V802-Y805 HydrophobicContact CG1-CE1 3.68Å; S803-Y805 PolarHBondContact O-N 2.87Å; Y805-F807 VanDerWaalsContact C-N 3.29Å; Y805-F807 PolarHBondContact O-N 3.35Å
806	N	68.2	Low	78.2	Confident	107 Å²	107	57 Å²	57	57%	0.572	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.8	-176.3	-70.4	-15.8	0	0	0	114.6	R804 G869	R804-N806 PolarHBondContact O-N 3.34Å; N806-G869 VanDerWaalsContact O-CA 3.25Å; N806-G869 WeakPolarHBondContact O-CA 3.22Å
807	F	76.3	Confident	78.5	Confident	157 Å²	157	55.5 Å²	55.5	69%	0.689	26%	0.257	S	S	*	.	S	Bend	trans	-123.8	-0.6	-176.3	-57.3	-73.8	0	0	0	114.7	R804 Y805	R804-F807 PolarHBondContact O-N 3.07Å; R804-F807 VanDerWaalsContact O-N 3.14Å; Y805-F807 VanDerWaalsContact C-N 3.29Å; Y805-F807 PolarHBondContact O-N 3.35Å
808	A	87.5	Confident	79.2	Confident	2 Å²	2	55.4 Å²	55.4	2%	0.017	26%	0.257	C	S	.	.			trans	-65.9	143.4	-177.5	0	0	0	0	0	112	P792 S803 Y810 G869	P792-A808 HydrophobicContact CB-CB 3.69Å; S803-A808 WeakPolarHBondContact OG-CB 3.4Å; A808-Y810 HydrophobicContact CB-CE2 3.89Å; A808-G869 PolarHBondContact O-N 3.26Å
809	T	91.7	Very high	80.3	Confident	31 Å²	31	51.8 Å²	51.8	19%	0.19	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.4	172.2	-60.1	0	0	0	0	109.6	P792 A793 Y867	P792-T809 CarbonylContact C-O 3.46Å; P792-T809 WeakPolarHBondContact CA-O 3.5Å; A793-T809 HydrophobicContact CB-CG2 4.45Å; A793-T809 WeakPolarHBondContact CB-O 2.98Å; A793-T809 PolarHBondContact N-O 2.81Å; T809-Y867 CarbonylContact C-O 3.58Å; T809-Y867 WeakPolarHBondContact CA-O 3.46Å
810	Y	93.8	Very high	81.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.7	172.5	-58.5	-91.7	0	0	0	107.9	S785 I786 Y787 L790 P792 A808 E866 Y867	S785-Y810 WeakPolarHBondContact OG-CE1 3.41Å; I786-Y810 HydrophobicContact CD1-CE2 4.1Å; I786-Y810 HydrophobicContact CG1-CE2 3.99Å; I786-Y810 WeakPolarHBondContact CG1-OH 3.31Å; Y787-Y810 HydrophobicContact CD2-CD1 4.16Å; Y787-Y810 AromaticContact CD2-CD2 3.55Å; Y787-Y810 HydrophobicContact CD2-CD2 3.55Å; Y787-Y810 HydrophobicContact CD2-CE1 4.31Å; Y787-Y810 AromaticContact CD2-CE2 3.73Å; Y787-Y810 HydrophobicContact CD2-CE2 3.73Å; Y787-Y810 AromaticContact CD2-CG 3.79Å; Y787-Y810 HydrophobicContact CD2-CG 3.79Å; Y787-Y810 AromaticContact CE2-CD2 3.72Å; Y787-Y810 HydrophobicContact CE2-CD2 3.72Å; Y787-Y810 AromaticContact CE2-CE2 3.93Å; Y787-Y810 HydrophobicContact CE2-CE2 3.93Å; Y787-Y810 HydrophobicContact CE2-CG 4.34Å; L790-Y810 HydrophobicContact CB-CD1 3.94Å; P792-Y810 HydrophobicContact CB-CD1 4.35Å; P792-Y810 HydrophobicContact CB-CE1 3.84Å; P792-Y810 HydrophobicContact CG-CE1 4.31Å; A808-Y810 HydrophobicContact CB-CE2 3.89Å; Y810-E866 WeakPolarHBondContact O-CA 3.22Å; Y810-Y867 PolarHBondContact N-O 2.97Å; Y810-Y867 PolarHBondContact O-N 3.35Å
811	S	94.8	Very high	83.4	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.021	19%	0.193	C	C	.	.			trans	-149.4	171.9	-173.4	-168.1	0	0	0	0	109.8	G813 A816	S811-G813 PolarHBondContact OG-N 3.44Å; S811-A816 WeakPolarHBondContact O-CB 3.4Å
812	V	95.6	Very high	85.2	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	17%	0.172	C	C	.	.	S	Bend	trans	-119.5	9.6	161.2	-64.5	0	0	0	0	111.3	Y820 V848 L852 L864 T880 F882	V812-Y820 HydrophobicContact CG1-CD2 3.88Å; V812-Y820 HydrophobicContact CG1-CE2 3.94Å; V812-V848 HydrophobicContact CG1-CB 4.35Å; V812-V848 HydrophobicContact CG1-CG1 3.97Å; V812-V848 HydrophobicContact CG1-CG2 3.39Å; V812-V848 HydrophobicContact CG2-CG1 4.36Å; V812-L852 HydrophobicContact CG1-CD1 4.33Å; V812-L864 HydrophobicContact CG2-CD1 3.95Å; V812-T880 HydrophobicContact CG2-CG2 4.1Å; V812-F882 HydrophobicContact CB-CZ 4.36Å; V812-F882 WeakPolarHBondContact O-CE1 3.36Å; V812-F882 WeakPolarHBondContact O-CZ 3.47Å
813	G	94.5	Very high	87	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-92.3	-154.9	170.5	0	0	0	0	0	111	S811 R815 A816 D817	S811-G813 PolarHBondContact OG-N 3.44Å; G813-R815 PolarHBondContact O-N 2.98Å; G813-A816 CarbonylContact O-C 3.59Å; G813-A816 PolarHBondContact O-N 2.81Å; G813-D817 WeakPolarHBondContact O-CB 3.32Å; G813-D817 PolarHBondContact O-N 2.04Å
814	A	91.7	Very high	88.9	Confident	42 Å²	42	36.9 Å²	36.9	35%	0.347	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.5	135.9	-174	0	0	0	0	0	113.4	A816 D817 E877 L879	A814-A816 PolarHBondContact O-N 2.91Å; A814-D817 VanDerWaalsContact C-OD1 3.28Å; A814-D817 VanDerWaalsContact CA-OD1 3.23Å; A814-D817 WeakPolarHBondContact CA-OD1 3.49Å; A814-E877 WeakPolarHBondContact CB-OE2 3.48Å; A814-E877 PolarHBondContact N-OE2 3.42Å; A814-L879 HydrophobicContact CB-CD1 4.05Å
815	R	92.5	Very high	90.8	Very high	108 Å²	108	27.2 Å²	27.2	41%	0.408	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-15.6	-179.6	-45.2	-179	73.8	-138.6	-4.1	114.8	S744 L745 A746 A793 D794 G813 D817	S744-R815 VanDerWaalsContact CB-O 3.3Å; S744-R815 WeakPolarHBondContact CB-O 3.21Å; L745-R815 PolarHBondContact N-O 3.41Å; A746-R815 PolarHBondContact N-O 3.03Å; A793-R815 HydrophobicContact CB-CB 4.27Å; D794-R815 IonicContact OD1-CZ 2.75Å; D794-R815 IonicContact OD1-NH1 3.59Å; D794-R815 PolarHBondContact OD1-NH1 2.82Å; D794-R815 IonicContact OD1-NH2 2.64Å; D794-R815 PolarHBondContact OD1-NH2 3.13Å; D794-R815 IonicContact OD2-CZ 3.74Å; D794-R815 IonicContact OD2-NH1 3.84Å; D794-R815 PolarHBondContact OD2-NH1 3.5Å; G813-R815 PolarHBondContact O-N 2.98Å; R815-D817 PolarHBondContact N-OD1 3.4Å
816	A	93.7	Very high	92.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-9.7	170.1	0	0	0	0	0	112.6	L745 A793 S811 G813 A814	L745-A816 HydrophobicContact CD2-CB 4.17Å; A793-A816 HydrophobicContact CB-CB 3.96Å; S811-A816 WeakPolarHBondContact O-CB 3.4Å; G813-A816 CarbonylContact O-C 3.59Å; G813-A816 PolarHBondContact O-N 2.81Å; A814-A816 PolarHBondContact O-N 2.91Å
817	D	89.6	Confident	94	Very high	30 Å²	30	19.3 Å²	19.3	16%	0.16	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	152.3	-176.2	46.4	-26.9	0	0	0	113.4	A746 G813 A814 R815 Y819 F882	A746-D817 WeakPolarHBondContact CA-O 3.34Å; A746-D817 WeakPolarHBondContact CB-O 3.22Å; G813-D817 WeakPolarHBondContact O-CB 3.32Å; G813-D817 PolarHBondContact O-N 2.04Å; A814-D817 VanDerWaalsContact C-OD1 3.28Å; A814-D817 VanDerWaalsContact CA-OD1 3.23Å; A814-D817 WeakPolarHBondContact CA-OD1 3.49Å; R815-D817 PolarHBondContact N-OD1 3.4Å; D817-Y819 PolarHBondContact O-N 3.27Å; D817-F882 HydrophobicContact CB-CE1 3.78Å; D817-F882 HydrophobicContact CB-CZ 4.43Å
818	S	93.3	Very high	95.1	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.014	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	-1	-162.5	59.8	0	0	0	0	120	T750 Y820 E821 Y822 T1036	T750-S818 WeakPolarHBondContact CG2-OG 3.23Å; T750-S818 PolarHBondContact OG1-OG 3.31Å; T750-S818 VanDerWaalsContact OG1-OG 3.04Å; S818-Y820 PolarHBondContact O-N 3.47Å; S818-E821 VanDerWaalsContact CB-OE2 3.31Å; S818-E821 WeakPolarHBondContact CB-OE2 3.02Å; S818-E821 WeakPolarHBondContact O-CB 2.95Å; S818-E821 PolarHBondContact O-N 3.04Å; S818-Y822 WeakPolarHBondContact O-CB 3.33Å; S818-Y822 WeakPolarHBondContact O-CD2 3.36Å; S818-Y822 PolarHBondContact O-N 3.41Å; S818-T1036 WeakPolarHBondContact CB-OG1 3.39Å; S818-T1036 WeakPolarHBondContact OG-CB 3.32Å; S818-T1036 PolarHBondContact OG-OG1 3Å; S818-T1036 VanDerWaalsContact OG-OG1 3.09Å
819	Y	96.2	Very high	95.6	Very high	7 Å²	7	12.1 Å²	12.1	3%	0.027	6%	0.062	C	C	.	.	H	α-helix	trans	-55.9	-55.7	172.7	164.8	-111.2	0	0	0	112.7	L745 T750 L778 M791 D817 E821 Y822 L823	L745-Y819 HydrophobicContact CD1-CD1 3.9Å; L745-Y819 HydrophobicContact CD1-CD2 4.02Å; L745-Y819 HydrophobicContact CD1-CE1 4.23Å; L745-Y819 HydrophobicContact CD1-CE2 4.34Å; L745-Y819 HydrophobicContact CD1-CG 3.76Å; L745-Y819 HydrophobicContact CD2-CD1 3.7Å; L745-Y819 HydrophobicContact CD2-CE1 4.42Å; L745-Y819 HydrophobicContact CD2-CG 4.05Å; L745-Y819 HydrophobicContact CG-CD1 3.94Å; L745-Y819 HydrophobicContact CG-CD2 4.46Å; L745-Y819 HydrophobicContact CG-CG 3.78Å; T750-Y819 PolarHBondContact OG1-N 2.64Å; L778-Y819 HydrophobicContact CB-CE2 4.06Å; L778-Y819 HydrophobicContact CD1-CD2 4.01Å; L778-Y819 HydrophobicContact CD1-CE2 3.69Å; L778-Y819 HydrophobicContact CG-CE2 4.45Å; M791-Y819 HydrophobicContact CB-CE1 4.36Å; M791-Y819 HydrophobicContact CG-CE1 3.97Å; D817-Y819 PolarHBondContact O-N 3.27Å; Y819-E821 VanDerWaalsContact C-N 3.27Å; Y819-E821 PolarHBondContact O-N 3.21Å; Y819-Y822 PolarHBondContact O-N 3.06Å; Y819-L823 HydrophobicContact CE1-CD1 3.92Å; Y819-L823 HydrophobicContact CE2-CD1 4.33Å; Y819-L823 HydrophobicContact CE2-CD2 4.11Å; Y819-L823 HydrophobicContact CE2-CG 4.17Å; Y819-L823 PolarHBondContact O-N 2.96Å; Y819-L823 VanDerWaalsContact O-N 3.1Å
820	Y	96.2	Very high	95.8	Very high	3 Å²	3	11 Å²	11	1%	0.012	6%	0.055	C	C	.	.	H	α-helix	trans	-64.5	-37	-179.9	-60.7	-78.6	0	0	0	111.2	L790 M791 V812 S818 Y822 L823 L824 F841	L790-Y820 WeakPolarHBondContact CA-OH 3.49Å; M791-Y820 PolarHBondContact N-OH 3.31Å; V812-Y820 HydrophobicContact CG1-CD2 3.88Å; V812-Y820 HydrophobicContact CG1-CE2 3.94Å; S818-Y820 PolarHBondContact O-N 3.47Å; Y820-Y822 VanDerWaalsContact C-N 3.33Å; Y820-Y822 PolarHBondContact O-N 3.01Å; Y820-L823 HydrophobicContact CD1-CD1 4.29Å; Y820-L823 WeakPolarHBondContact O-CB 3.12Å; Y820-L823 PolarHBondContact O-N 2.99Å; Y820-L824 PolarHBondContact O-N 2.95Å; Y820-F841 WeakPolarHBondContact O-CD2 3.33Å
821	E	97.2	Very high	95.9	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-58.8	-44.3	174.1	-179.3	-161.1	134.2	0	0	111.4	S818 Y819 L823 L824 K825 F882	S818-E821 VanDerWaalsContact CB-OE2 3.31Å; S818-E821 WeakPolarHBondContact CB-OE2 3.02Å; S818-E821 WeakPolarHBondContact O-CB 2.95Å; S818-E821 PolarHBondContact O-N 3.04Å; Y819-E821 VanDerWaalsContact C-N 3.27Å; Y819-E821 PolarHBondContact O-N 3.21Å; E821-L823 VanDerWaalsContact C-N 3.35Å; E821-L823 PolarHBondContact O-N 3.11Å; E821-L824 WeakPolarHBondContact O-CB 3.39Å; E821-L824 PolarHBondContact O-N 3.18Å; E821-K825 HydrophobicContact CG-CD 3.72Å; E821-K825 HydrophobicContact CG-CG 4.27Å; E821-K825 WeakPolarHBondContact O-CB 3.12Å; E821-K825 WeakPolarHBondContact O-CG 3.31Å; E821-K825 PolarHBondContact O-N 3.19Å; E821-K825 WeakPolarHBondContact OE1-CD 3.41Å; E821-K825 WeakPolarHBondContact OE1-CE 3.48Å; E821-K825 IonicContact OE1-NZ 3.51Å; E821-K825 PolarHBondContact OE1-NZ 3.5Å; E821-F882 HydrophobicContact CB-CD2 4.09Å; E821-F882 HydrophobicContact CB-CE2 3.9Å; E821-F882 HydrophobicContact CG-CD2 4.4Å; E821-F882 WeakPolarHBondContact OE2-CD2 3.29Å
822	Y	98.2	Very high	96	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.5	-28.5	179.2	-90.8	-132.7	0	0	0	112.6	G749 T750 L753 E754 S818 Y819 Y820 L824 K825 Q826 N1035 T1036	G749-Y822 VanDerWaalsContact O-CB 3.29Å; G749-Y822 WeakPolarHBondContact O-CB 3.34Å; T750-Y822 VanDerWaalsContact CA-CD1 3.46Å; T750-Y822 HydrophobicContact CG2-CD1 3.97Å; T750-Y822 HydrophobicContact CG2-CD2 3.8Å; T750-Y822 HydrophobicContact CG2-CE1 3.55Å; T750-Y822 HydrophobicContact CG2-CE2 3.41Å; T750-Y822 VanDerWaalsContact CG2-CE2 3.41Å; T750-Y822 HydrophobicContact CG2-CG 4.06Å; L753-Y822 HydrophobicContact CB-CE1 4.04Å; L753-Y822 HydrophobicContact CD1-CD1 4.12Å; L753-Y822 HydrophobicContact CD1-CD2 4.14Å; L753-Y822 HydrophobicContact CD1-CE1 3.8Å; L753-Y822 HydrophobicContact CD1-CE2 3.79Å; L753-Y822 HydrophobicContact CD1-CG 4.31Å; L753-Y822 HydrophobicContact CG-CD1 3.81Å; L753-Y822 HydrophobicContact CG-CE1 3.63Å; L753-Y822 HydrophobicContact CG-CE2 4.5Å; L753-Y822 HydrophobicContact CG-CG 4.37Å; E754-Y822 PolarHBondContact OE1-OH 2.96Å; S818-Y822 WeakPolarHBondContact O-CB 3.33Å; S818-Y822 WeakPolarHBondContact O-CD2 3.36Å; S818-Y822 PolarHBondContact O-N 3.41Å; Y819-Y822 PolarHBondContact O-N 3.06Å; Y820-Y822 VanDerWaalsContact C-N 3.33Å; Y820-Y822 PolarHBondContact O-N 3.01Å; Y822-L824 VanDerWaalsContact C-N 3.34Å; Y822-L824 PolarHBondContact O-N 3.21Å; Y822-K825 PolarHBondContact O-N 2.65Å; Y822-Q826 WeakPolarHBondContact O-CB 3.22Å; Y822-Q826 WeakPolarHBondContact O-CG 3.34Å; Y822-Q826 PolarHBondContact O-N 2.93Å; Y822-N1035 WeakPolarHBondContact OH-CB 3.27Å; Y822-T1036 PolarHBondContact OH-N 3.04Å
823	L	98.1	Very high	96.1	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-56.8	-49.6	168.9	-66.6	172.8	0	0	0	110.9	Y819 Y820 E821 W827 L837 D840 F841	Y819-L823 HydrophobicContact CE1-CD1 3.92Å; Y819-L823 HydrophobicContact CE2-CD1 4.33Å; Y819-L823 HydrophobicContact CE2-CD2 4.11Å; Y819-L823 HydrophobicContact CE2-CG 4.17Å; Y819-L823 PolarHBondContact O-N 2.96Å; Y819-L823 VanDerWaalsContact O-N 3.1Å; Y820-L823 HydrophobicContact CD1-CD1 4.29Å; Y820-L823 WeakPolarHBondContact O-CB 3.12Å; Y820-L823 PolarHBondContact O-N 2.99Å; E821-L823 VanDerWaalsContact C-N 3.35Å; E821-L823 PolarHBondContact O-N 3.11Å; L823-W827 PolarHBondContact O-N 3.29Å; L823-L837 HydrophobicContact CD2-CD2 3.85Å; L823-D840 HydrophobicContact CD1-CB 3.84Å; L823-D840 HydrophobicContact CD2-CB 4.23Å; L823-F841 HydrophobicContact CB-CB 3.85Å
824	L	98.4	Very high	96.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.2	-51.8	176.3	176.1	67.2	0	0	0	111.3	Y820 E821 Y822 Q826 W827 L828 F841 S886 L889 A890 L895	Y820-L824 PolarHBondContact O-N 2.95Å; E821-L824 WeakPolarHBondContact O-CB 3.39Å; E821-L824 PolarHBondContact O-N 3.18Å; Y822-L824 VanDerWaalsContact C-N 3.34Å; Y822-L824 PolarHBondContact O-N 3.21Å; L824-Q826 VanDerWaalsContact C-N 3.33Å; L824-Q826 PolarHBondContact O-N 3.28Å; L824-W827 HydrophobicContact CD1-CE3 3.9Å; L824-W827 HydrophobicContact CD1-CZ3 4.18Å; L824-W827 WeakPolarHBondContact O-CB 3.47Å; L824-W827 PolarHBondContact O-N 3.07Å; L824-W827 VanDerWaalsContact O-N 3.17Å; L824-L828 HydrophobicContact CD1-CD1 4.22Å; L824-L828 HydrophobicContact CD1-CG 4.32Å; L824-L828 HydrophobicContact CG-CD1 4.05Å; L824-L828 HydrophobicContact CG-CG 4.46Å; L824-L828 WeakPolarHBondContact O-CG 3.33Å; L824-L828 PolarHBondContact O-N 3.03Å; L824-F841 HydrophobicContact CB-CD1 4.2Å; L824-F841 HydrophobicContact CB-CD2 3.6Å; L824-F841 HydrophobicContact CB-CE1 4.36Å; L824-F841 HydrophobicContact CB-CE2 3.71Å; L824-F841 HydrophobicContact CB-CG 3.81Å; L824-F841 HydrophobicContact CB-CZ 4.11Å; L824-F841 HydrophobicContact CD1-CD1 4.08Å; L824-F841 HydrophobicContact CD1-CE1 4.07Å; L824-F841 HydrophobicContact CD1-CZ 4.41Å; L824-F841 HydrophobicContact CD2-CE1 4.27Å; L824-F841 HydrophobicContact CD2-CE2 4.08Å; L824-F841 HydrophobicContact CD2-CZ 3.82Å; L824-F841 HydrophobicContact CG-CE1 4.47Å; L824-F841 HydrophobicContact CG-CE2 4.41Å; L824-F841 HydrophobicContact CG-CZ 4.34Å; L824-S886 VanDerWaalsContact CD2-O 3.23Å; L824-S886 WeakPolarHBondContact CD2-O 3.43Å; L824-L889 HydrophobicContact CD2-CB 4.05Å; L824-L889 HydrophobicContact CD2-CD2 4.03Å; L824-L889 HydrophobicContact CD2-CG 4.01Å; L824-A890 HydrophobicContact CD1-CB 4.16Å; L824-A890 HydrophobicContact CD2-CB 4.03Å; L824-L895 HydrophobicContact CD1-CD1 3.99Å
825	K	98.5	Very high	96.5	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-66.5	-34.3	-173.3	-69	-177.5	173.8	179.9	0	111.6	L753 E821 Y822 L828 Q829 L889 E952 F1034 N1035	L753-K825 HydrophobicContact CD1-CB 3.8Å; L753-K825 HydrophobicContact CD1-CD 4.17Å; L753-K825 HydrophobicContact CD2-CB 4.09Å; E821-K825 HydrophobicContact CG-CD 3.72Å; E821-K825 HydrophobicContact CG-CG 4.27Å; E821-K825 WeakPolarHBondContact O-CB 3.12Å; E821-K825 WeakPolarHBondContact O-CG 3.31Å; E821-K825 PolarHBondContact O-N 3.19Å; E821-K825 WeakPolarHBondContact OE1-CD 3.41Å; E821-K825 WeakPolarHBondContact OE1-CE 3.48Å; E821-K825 IonicContact OE1-NZ 3.51Å; E821-K825 PolarHBondContact OE1-NZ 3.5Å; Y822-K825 PolarHBondContact O-N 2.65Å; K825-L828 PolarHBondContact O-N 3.1Å; K825-Q829 VanDerWaalsContact O-CB 3.26Å; K825-Q829 WeakPolarHBondContact O-CB 3.43Å; K825-Q829 PolarHBondContact O-N 3.11Å; K825-L889 HydrophobicContact CG-CD2 4.39Å; K825-E952 IonicContact NZ-OE1 2.77Å; K825-F1034 WeakPolarHBondContact CD-O 3.36Å; K825-F1034 WeakPolarHBondContact CE-O 3.34Å; K825-F1034 PolarHBondContact NZ-O 3.01Å; K825-N1035 PolarHBondContact NZ-O 2.8Å
826	Q	98.4	Very high	96.7	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	12%	0.12	C	C	.	.	H	α-helix	trans	-66	-43.3	171.6	-73.3	-173.9	71.5	0	0	112.1	Q752 L753 S775 Y822 L824 L828 Q829 T830 L837	Q752-Q826 HydrophobicContact CB-CG 3.8Å; L753-Q826 HydrophobicContact CD2-CB 4.48Å; L753-Q826 HydrophobicContact CD2-CG 3.94Å; S775-Q826 PolarHBondContact OG-NE2 3.44Å; S775-Q826 VanDerWaalsContact OG-NE2 3.11Å; Y822-Q826 WeakPolarHBondContact O-CB 3.22Å; Y822-Q826 WeakPolarHBondContact O-CG 3.34Å; Y822-Q826 PolarHBondContact O-N 2.93Å; L824-Q826 VanDerWaalsContact C-N 3.33Å; L824-Q826 PolarHBondContact O-N 3.28Å; Q826-L828 VanDerWaalsContact C-N 3.26Å; Q826-L828 PolarHBondContact O-N 3.44Å; Q826-Q829 PolarHBondContact O-N 3.11Å; Q826-T830 WeakPolarHBondContact O-CG2 3.24Å; Q826-T830 PolarHBondContact O-N 3.45Å; Q826-T830 PolarHBondContact O-OG1 3.03Å; Q826-T830 VanDerWaalsContact O-OG1 3.14Å; Q826-L837 HydrophobicContact CB-CD1 3.63Å; Q826-L837 HydrophobicContact CB-CD2 4.3Å
827	W	98.6	Very high	96.9	Very high	12 Å²	12	24.7 Å²	24.7	5%	0.045	12%	0.12	C	C	.	.	H	α-helix	trans	-57.4	-44.5	174.6	172.8	63.9	0	0	0	110.7	L823 L824 T830 K832 I834 L837 R838 N893 L895	L823-W827 PolarHBondContact O-N 3.29Å; L824-W827 HydrophobicContact CD1-CE3 3.9Å; L824-W827 HydrophobicContact CD1-CZ3 4.18Å; L824-W827 WeakPolarHBondContact O-CB 3.47Å; L824-W827 PolarHBondContact O-N 3.07Å; L824-W827 VanDerWaalsContact O-N 3.17Å; W827-T830 PolarHBondContact O-OG1 2.91Å; W827-T830 VanDerWaalsContact O-OG1 3.04Å; W827-K832 HydrophobicContact CD2-CB 4.33Å; W827-K832 HydrophobicContact CD2-CG 4.14Å; W827-K832 HydrophobicContact CE3-CG 4.44Å; W827-K832 HydrophobicContact CH2-CD 3.81Å; W827-K832 HydrophobicContact CH2-CG 4.04Å; W827-K832 HydrophobicContact CZ2-CB 3.7Å; W827-K832 HydrophobicContact CZ2-CD 3.72Å; W827-K832 HydrophobicContact CZ2-CG 3.65Å; W827-K832 HydrophobicContact CZ3-CD 4.44Å; W827-K832 HydrophobicContact CZ3-CG 4.41Å; W827-K832 VanDerWaalsContact NE1-CA 3.33Å; W827-K832 PolarHBondContact NE1-O 2.94Å; W827-K832 WeakPolarHBondContact O-CA 3.19Å; W827-K832 PolarHBondContact O-N 3.04Å; W827-I834 VanDerWaalsContact CD1-O 3.28Å; W827-L837 HydrophobicContact CB-CB 3.93Å; W827-R838 HydrophobicContact CD2-CB 3.81Å; W827-R838 HydrophobicContact CD2-CG 4.24Å; W827-R838 HydrophobicContact CE3-CB 4.42Å; W827-R838 HydrophobicContact CE3-CG 4.48Å; W827-R838 HydrophobicContact CG-CB 3.88Å; W827-R838 HydrophobicContact CH2-CG 4.35Å; W827-R838 HydrophobicContact CZ2-CB 4.37Å; W827-R838 HydrophobicContact CZ2-CG 4.11Å; W827-N893 HydrophobicContact CH2-CB 4.4Å; W827-N893 HydrophobicContact CZ3-CB 4Å; W827-L895 HydrophobicContact CE3-CD1 4.36Å; W827-L895 HydrophobicContact CH2-CD1 4.26Å; W827-L895 HydrophobicContact CH2-CD2 4.05Å; W827-L895 HydrophobicContact CH2-CG 4.2Å; W827-L895 HydrophobicContact CZ3-CD1 3.75Å; W827-L895 HydrophobicContact CZ3-CD2 4.39Å; W827-L895 HydrophobicContact CZ3-CG 4.11Å
828	L	98.4	Very high	97.2	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.042	13%	0.126	C	C	.	.	H	α-helix	trans	-65.8	-47.7	176.6	-64.1	177.9	0	0	0	112.4	L824 K825 Q826 T830 G831 K832 L889 N893 V1033 V1043	L824-L828 HydrophobicContact CD1-CD1 4.22Å; L824-L828 HydrophobicContact CD1-CG 4.32Å; L824-L828 HydrophobicContact CG-CD1 4.05Å; L824-L828 HydrophobicContact CG-CG 4.46Å; L824-L828 WeakPolarHBondContact O-CG 3.33Å; L824-L828 PolarHBondContact O-N 3.03Å; K825-L828 PolarHBondContact O-N 3.1Å; Q826-L828 VanDerWaalsContact C-N 3.26Å; Q826-L828 PolarHBondContact O-N 3.44Å; L828-T830 PolarHBondContact O-N 3.4Å; L828-G831 PolarHBondContact O-N 3.18Å; L828-K832 HydrophobicContact CD2-CG 4.27Å; L828-L889 HydrophobicContact CD1-CD1 4.03Å; L828-L889 HydrophobicContact CD1-CD2 3.69Å; L828-L889 HydrophobicContact CD1-CG 3.72Å; L828-N893 HydrophobicContact CD2-CB 3.87Å; L828-N893 WeakPolarHBondContact CD2-ND2 3.3Å; L828-N893 WeakPolarHBondContact CD2-OD1 3.42Å; L828-V1033 HydrophobicContact CB-CG1 3.76Å; L828-V1033 HydrophobicContact CD1-CG1 4.41Å; L828-V1043 VanDerWaalsContact O-CG1 3.23Å; L828-V1043 WeakPolarHBondContact O-CG1 3.42Å
829	Q	98.1	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.9	-30.4	-178.9	-160.7	-170.1	33.1	0	0	112.4	L753 R756 S757 K825 Q826 G831 V1033 P1042 F1044	L753-Q829 HydrophobicContact CD2-CB 4.07Å; L753-Q829 HydrophobicContact CD2-CG 4.37Å; L753-Q829 VanDerWaalsContact CD2-OE1 3.29Å; L753-Q829 PolarHBondContact O-NE2 2.94Å; R756-Q829 VanDerWaalsContact CD-OE1 3.26Å; S757-Q829 PolarHBondContact OG-NE2 2.94Å; K825-Q829 VanDerWaalsContact O-CB 3.26Å; K825-Q829 WeakPolarHBondContact O-CB 3.43Å; K825-Q829 PolarHBondContact O-N 3.11Å; Q826-Q829 PolarHBondContact O-N 3.11Å; Q829-G831 PolarHBondContact O-N 2.98Å; Q829-V1033 HydrophobicContact CB-CG2 4.02Å; Q829-V1033 HydrophobicContact CG-CG2 3.98Å; Q829-P1042 VanDerWaalsContact CG-O 3.3Å; Q829-P1042 WeakPolarHBondContact CG-O 3.37Å; Q829-F1044 HydrophobicContact CG-CD2 4.03Å; Q829-F1044 HydrophobicContact CG-CE2 4.14Å; Q829-F1044 PolarHBondContact O-N 3.34Å
830	T	96.9	Very high	97.3	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.037	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	16.4	175.2	61.4	0	0	0	0	114	R756 Q826 W827 L828 K832 R833 I834 F1044	R756-T830 VanDerWaalsContact CZ-CG2 3.4Å; Q826-T830 WeakPolarHBondContact O-CG2 3.24Å; Q826-T830 PolarHBondContact O-N 3.45Å; Q826-T830 PolarHBondContact O-OG1 3.03Å; Q826-T830 VanDerWaalsContact O-OG1 3.14Å; W827-T830 PolarHBondContact O-OG1 2.91Å; W827-T830 VanDerWaalsContact O-OG1 3.04Å; L828-T830 PolarHBondContact O-N 3.4Å; T830-K832 PolarHBondContact O-N 2.81Å; T830-R833 WeakPolarHBondContact O-CB 3.46Å; T830-R833 WeakPolarHBondContact O-CG 3.47Å; T830-R833 PolarHBondContact O-N 3.39Å; T830-R833 PolarHBondContact O-NE 2.97Å; T830-R833 PolarHBondContact O-NH2 3Å; T830-I834 HydrophobicContact CG2-CD1 3.74Å; T830-I834 HydrophobicContact CG2-CG1 4.4Å; T830-F1044 CarbonylContact C-O 3.59Å
831	G	95.3	Very high	97.3	Very high	38 Å²	38	30.6 Å²	30.6	39%	0.392	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	30.2	-177.5	0	0	0	0	0	112.5	L828 Q829 R833 F1044	L828-G831 PolarHBondContact O-N 3.18Å; Q829-G831 PolarHBondContact O-N 2.98Å; G831-R833 VanDerWaalsContact C-N 3.33Å; G831-R833 PolarHBondContact O-N 3.07Å; G831-F1044 PolarHBondContact N-O 3.04Å
832	K	96.9	Very high	97.3	Very high	85 Å²	85	32.2 Å²	32.2	37%	0.37	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	24.3	-179.2	-53.3	178.1	-179	-175.5	0	114.8	W827 L828 T830 N893	W827-K832 HydrophobicContact CD2-CB 4.33Å; W827-K832 HydrophobicContact CD2-CG 4.14Å; W827-K832 HydrophobicContact CE3-CG 4.44Å; W827-K832 HydrophobicContact CH2-CD 3.81Å; W827-K832 HydrophobicContact CH2-CG 4.04Å; W827-K832 HydrophobicContact CZ2-CB 3.7Å; W827-K832 HydrophobicContact CZ2-CD 3.72Å; W827-K832 HydrophobicContact CZ2-CG 3.65Å; W827-K832 HydrophobicContact CZ3-CD 4.44Å; W827-K832 HydrophobicContact CZ3-CG 4.41Å; W827-K832 VanDerWaalsContact NE1-CA 3.33Å; W827-K832 PolarHBondContact NE1-O 2.94Å; W827-K832 WeakPolarHBondContact O-CA 3.19Å; W827-K832 PolarHBondContact O-N 3.04Å; L828-K832 HydrophobicContact CD2-CG 4.27Å; T830-K832 PolarHBondContact O-N 2.81Å; K832-N893 WeakPolarHBondContact CE-OD1 3.37Å; K832-N893 PolarHBondContact NZ-O 3.14Å; K832-N893 PolarHBondContact NZ-OD1 3.13Å
833	R	96.5	Very high	97.1	Very high	146 Å²	146	34.3 Å²	34.3	55%	0.551	17%	0.174	S	C	*	.			trans	-80	-27.5	-174.3	-70.6	-175.7	-67.9	-106.2	-6.2	114.6	T830 G831 F1044	T830-R833 WeakPolarHBondContact O-CB 3.46Å; T830-R833 WeakPolarHBondContact O-CG 3.47Å; T830-R833 PolarHBondContact O-N 3.39Å; T830-R833 PolarHBondContact O-NE 2.97Å; T830-R833 PolarHBondContact O-NH2 3Å; G831-R833 VanDerWaalsContact C-N 3.33Å; G831-R833 PolarHBondContact O-N 3.07Å; R833-F1044 VanDerWaalsContact CZ-O 3.27Å; R833-F1044 PolarHBondContact NH1-O 3.42Å; R833-F1044 PolarHBondContact NH2-O 3.44Å
834	I	97.2	Very high	97	Very high	37 Å²	37	34.2 Å²	34.2	19%	0.19	17%	0.174	C	C	.	.			trans	-104.4	94.1	-172.5	-54.9	174.9	0	0	0	110	F772 W827 T830 W836 L837	F772-I834 HydrophobicContact CE2-CD1 3.79Å; F772-I834 HydrophobicContact CZ-CD1 3.71Å; F772-I834 HydrophobicContact CZ-CG2 4.32Å; W827-I834 VanDerWaalsContact CD1-O 3.28Å; T830-I834 HydrophobicContact CG2-CD1 3.74Å; T830-I834 HydrophobicContact CG2-CG1 4.4Å; I834-W836 HydrophobicContact CG2-CD2 4.09Å; I834-W836 VanDerWaalsContact CG2-CE2 3.46Å; I834-W836 HydrophobicContact CG2-CG 4.2Å; I834-W836 HydrophobicContact CG2-CZ2 3.94Å; I834-W836 PolarHBondContact O-N 3.13Å; I834-L837 HydrophobicContact CB-CD1 3.87Å; I834-L837 HydrophobicContact CB-CG 4.42Å; I834-L837 HydrophobicContact CD1-CD1 4.27Å; I834-L837 HydrophobicContact CG2-CD1 3.77Å; I834-L837 HydrophobicContact CG2-CG 3.88Å; I834-L837 PolarHBondContact O-N 2.84Å
835	N	97.4	Very high	96.9	Very high	83 Å²	83	34.3 Å²	34.3	44%	0.444	18%	0.175	S	C	.	.	H	α-helix	trans	-67.2	-34.2	-168.7	-73.5	-37	0	0	0	115	L837 R838 D839	N835-L837 PolarHBondContact O-N 2.92Å; N835-R838 VanDerWaalsContact O-CB 3.3Å; N835-R838 WeakPolarHBondContact O-CB 3.31Å; N835-R838 PolarHBondContact O-N 3.4Å; N835-R838 PolarHBondContact OD1-NH1 3.05Å; N835-D839 VanDerWaalsContact O-CG 3.29Å; N835-D839 PolarHBondContact O-N 3.07Å
836	W	96.8	Very high	96.8	Very high	54 Å²	54	39.6 Å²	39.6	21%	0.205	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-29.2	-178.3	60.9	-103.9	0	0	0	112.2	F772 L776 H779 I834 R838 D839 D840	F772-W836 HydrophobicContact CE1-CZ2 4.32Å; F772-W836 HydrophobicContact CE2-CH2 4.12Å; F772-W836 AromaticContact CE2-CZ2 3.75Å; F772-W836 HydrophobicContact CE2-CZ2 3.75Å; F772-W836 HydrophobicContact CZ-CH2 4.24Å; F772-W836 AromaticContact CZ-CZ2 3.45Å; F772-W836 HydrophobicContact CZ-CZ2 3.45Å; F772-W836 VanDerWaalsContact CZ-CZ2 3.45Å; L776-W836 HydrophobicContact CD2-CH2 4.22Å; L776-W836 HydrophobicContact CD2-CZ2 3.58Å; L776-W836 HydrophobicContact CG-CZ2 4.4Å; H779-W836 HydrophobicContact CB-CE3 3.91Å; H779-W836 HydrophobicContact CB-CH2 4.47Å; H779-W836 HydrophobicContact CB-CZ3 3.75Å; H779-W836 AromaticContact CG-CE3 3.74Å; H779-W836 AromaticContact ND1-CE3 3.79Å; I834-W836 HydrophobicContact CG2-CD2 4.09Å; I834-W836 VanDerWaalsContact CG2-CE2 3.46Å; I834-W836 HydrophobicContact CG2-CG 4.2Å; I834-W836 HydrophobicContact CG2-CZ2 3.94Å; I834-W836 PolarHBondContact O-N 3.13Å; W836-R838 VanDerWaalsContact C-N 3.34Å; W836-R838 PolarHBondContact O-N 3.2Å; W836-D839 PolarHBondContact O-N 3.27Å; W836-D840 WeakPolarHBondContact O-CB 3.49Å; W836-D840 PolarHBondContact O-N 3.49Å
837	L	97.9	Very high	96.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-42.3	171.8	-73.6	172	0	0	0	112	F772 L823 Q826 W827 I834 N835 D839 F841	F772-L837 HydrophobicContact CE2-CD1 4.47Å; L823-L837 HydrophobicContact CD2-CD2 3.85Å; Q826-L837 HydrophobicContact CB-CD1 3.63Å; Q826-L837 HydrophobicContact CB-CD2 4.3Å; W827-L837 HydrophobicContact CB-CB 3.93Å; I834-L837 HydrophobicContact CB-CD1 3.87Å; I834-L837 HydrophobicContact CB-CG 4.42Å; I834-L837 HydrophobicContact CD1-CD1 4.27Å; I834-L837 HydrophobicContact CG2-CD1 3.77Å; I834-L837 HydrophobicContact CG2-CG 3.88Å; I834-L837 PolarHBondContact O-N 2.84Å; N835-L837 PolarHBondContact O-N 2.92Å; L837-D839 VanDerWaalsContact C-N 3.35Å; L837-F841 WeakPolarHBondContact O-CB 3.32Å; L837-F841 PolarHBondContact O-N 3.29Å
838	R	97.1	Very high	96.6	Very high	72 Å²	72	39.2 Å²	39.2	27%	0.272	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-44.6	173.5	176.1	-157	67.6	-156.2	-3.6	110.4	W827 N835 W836 F841 V842 L895	W827-R838 HydrophobicContact CD2-CB 3.81Å; W827-R838 HydrophobicContact CD2-CG 4.24Å; W827-R838 HydrophobicContact CE3-CB 4.42Å; W827-R838 HydrophobicContact CE3-CG 4.48Å; W827-R838 HydrophobicContact CG-CB 3.88Å; W827-R838 HydrophobicContact CH2-CG 4.35Å; W827-R838 HydrophobicContact CZ2-CB 4.37Å; W827-R838 HydrophobicContact CZ2-CG 4.11Å; N835-R838 VanDerWaalsContact O-CB 3.3Å; N835-R838 WeakPolarHBondContact O-CB 3.31Å; N835-R838 PolarHBondContact O-N 3.4Å; N835-R838 PolarHBondContact OD1-NH1 3.05Å; W836-R838 VanDerWaalsContact C-N 3.34Å; W836-R838 PolarHBondContact O-N 3.2Å; R838-F841 PolarHBondContact O-N 3.15Å; R838-V842 HydrophobicContact CG-CG2 4.45Å; R838-V842 WeakPolarHBondContact O-CB 3.39Å; R838-V842 VanDerWaalsContact O-CG2 3.25Å; R838-V842 WeakPolarHBondContact O-CG2 3.34Å; R838-V842 PolarHBondContact O-N 3Å; R838-L895 HydrophobicContact CG-CD1 3.99Å; R838-L895 HydrophobicContact CG-CD2 3.72Å
839	D	95.8	Very high	96.5	Very high	73 Å²	73	40.4 Å²	40.4	39%	0.39	21%	0.205	S	C	.	.	H	α-helix	trans	-68.4	-43.5	-174.2	-62.6	-23.7	0	0	0	111.3	N835 W836 L837 V842 A843	N835-D839 VanDerWaalsContact O-CG 3.29Å; N835-D839 PolarHBondContact O-N 3.07Å; W836-D839 PolarHBondContact O-N 3.27Å; L837-D839 VanDerWaalsContact C-N 3.35Å; D839-V842 PolarHBondContact O-N 3.06Å; D839-A843 WeakPolarHBondContact O-CB 3.5Å; D839-A843 PolarHBondContact O-N 2.86Å
840	D	95.8	Very high	96.4	Very high	21 Å²	21	48.5 Å²	48.5	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-41.1	173.4	-73.3	6	0	0	0	111.8	H779 L823 W836 A843 G844	H779-D840 IonicContact CE1-OD1 3.46Å; H779-D840 PolarHBondContact CE1-OD1 3.02Å; H779-D840 IonicContact CE1-OD2 3.78Å; H779-D840 IonicContact CG-OD2 3.92Å; H779-D840 VanDerWaalsContact ND1-CG 3.26Å; H779-D840 IonicContact ND1-OD1 2.87Å; H779-D840 PolarHBondContact ND1-OD1 3.22Å; H779-D840 VanDerWaalsContact ND1-OD1 3.1Å; H779-D840 IonicContact ND1-OD2 2.73Å; H779-D840 PolarHBondContact ND1-OD2 3.28Å; L823-D840 HydrophobicContact CD1-CB 3.84Å; L823-D840 HydrophobicContact CD2-CB 4.23Å; W836-D840 WeakPolarHBondContact O-CB 3.49Å; W836-D840 PolarHBondContact O-N 3.49Å; D840-A843 PolarHBondContact O-N 3.3Å; D840-G844 PolarHBondContact O-N 2.89Å
841	F	96.6	Very high	96.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-48.4	173.8	169.3	-100.4	0	0	0	111.4	Y820 L823 L824 L837 R838 G844 M845 A890 L895 F899	Y820-F841 WeakPolarHBondContact O-CD2 3.33Å; L823-F841 HydrophobicContact CB-CB 3.85Å; L824-F841 HydrophobicContact CB-CD1 4.2Å; L824-F841 HydrophobicContact CB-CD2 3.6Å; L824-F841 HydrophobicContact CB-CE1 4.36Å; L824-F841 HydrophobicContact CB-CE2 3.71Å; L824-F841 HydrophobicContact CB-CG 3.81Å; L824-F841 HydrophobicContact CB-CZ 4.11Å; L824-F841 HydrophobicContact CD1-CD1 4.08Å; L824-F841 HydrophobicContact CD1-CE1 4.07Å; L824-F841 HydrophobicContact CD1-CZ 4.41Å; L824-F841 HydrophobicContact CD2-CE1 4.27Å; L824-F841 HydrophobicContact CD2-CE2 4.08Å; L824-F841 HydrophobicContact CD2-CZ 3.82Å; L824-F841 HydrophobicContact CG-CE1 4.47Å; L824-F841 HydrophobicContact CG-CE2 4.41Å; L824-F841 HydrophobicContact CG-CZ 4.34Å; L837-F841 WeakPolarHBondContact O-CB 3.32Å; L837-F841 PolarHBondContact O-N 3.29Å; R838-F841 PolarHBondContact O-N 3.15Å; F841-G844 PolarHBondContact O-N 3.48Å; F841-M845 HydrophobicContact CD2-CG 3.76Å; F841-M845 HydrophobicContact CE1-CG 4.17Å; F841-M845 HydrophobicContact CE2-CG 3.28Å; F841-M845 HydrophobicContact CE2-SD 4.17Å; F841-M845 HydrophobicContact CG-CG 4.45Å; F841-M845 HydrophobicContact CZ-CB 4.42Å; F841-M845 HydrophobicContact CZ-CG 3.51Å; F841-M845 WeakPolarHBondContact O-CB 3.26Å; F841-M845 WeakPolarHBondContact O-CG 3.49Å; F841-M845 PolarHBondContact O-N 2.91Å; F841-A890 HydrophobicContact CE1-CB 3.39Å; F841-A890 HydrophobicContact CZ-CB 3.72Å; F841-L895 HydrophobicContact CD1-CD1 4.02Å; F841-L895 HydrophobicContact CE1-CD1 4.17Å; F841-F899 HydrophobicContact CE1-CE2 4.2Å
842	V	96.3	Very high	96.4	Very high	34 Å²	34	49 Å²	49	21%	0.206	23%	0.227	C	C	.	.	H	α-helix	trans	-62.5	-46.3	-179.4	169.2	0	0	0	0	110.3	R838 D839 Q846 L895 F899	R838-V842 HydrophobicContact CG-CG2 4.45Å; R838-V842 WeakPolarHBondContact O-CB 3.39Å; R838-V842 VanDerWaalsContact O-CG2 3.25Å; R838-V842 WeakPolarHBondContact O-CG2 3.34Å; R838-V842 PolarHBondContact O-N 3Å; D839-V842 PolarHBondContact O-N 3.06Å; V842-Q846 WeakPolarHBondContact O-CB 3.43Å; V842-Q846 WeakPolarHBondContact O-CG 3.43Å; V842-Q846 PolarHBondContact O-N 3.08Å; V842-L895 HydrophobicContact CG2-CD1 4.16Å; V842-L895 HydrophobicContact CG2-CD2 4.46Å; V842-F899 HydrophobicContact CG1-CZ 4.3Å; V842-F899 HydrophobicContact CG2-CE2 4.26Å
843	A	95.1	Very high	96.3	Very high	45 Å²	45	45.2 Å²	45.2	37%	0.372	21%	0.212	S	C	.	.	H	α-helix	trans	-62.2	-46.7	177.6	0	0	0	0	0	111.5	D839 D840 Q846 A847	D839-A843 WeakPolarHBondContact O-CB 3.5Å; D839-A843 PolarHBondContact O-N 2.86Å; D840-A843 PolarHBondContact O-N 3.3Å; A843-Q846 PolarHBondContact O-N 2.95Å; A843-A847 WeakPolarHBondContact O-CB 3.46Å; A843-A847 PolarHBondContact O-N 3.28Å
844	G	95.5	Very high	96.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-50.5	178.3	0	0	0	0	0	112.5	G789 D840 F841 Q846 A847 V848	G789-G844 WeakPolarHBondContact O-CA 3.37Å; D840-G844 PolarHBondContact O-N 2.89Å; F841-G844 PolarHBondContact O-N 3.48Å; G844-Q846 VanDerWaalsContact C-N 3.34Å; G844-Q846 PolarHBondContact O-N 3.36Å; G844-A847 CarbonylContact O-C 3.41Å; G844-A847 WeakPolarHBondContact O-CA 3.35Å; G844-A847 WeakPolarHBondContact O-CB 3.46Å; G844-A847 PolarHBondContact O-N 3.41Å; G844-A847 VanDerWaalsContact O-N 3.08Å; G844-V848 WeakPolarHBondContact O-CG2 3.28Å; G844-V848 PolarHBondContact O-N 2.82Å
845	M	97	Very high	96	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-68.2	-32.3	179.4	-69.7	-48.2	-63	0	0	113.2	F841 A847 V848 L849 A883 L887 F899	F841-M845 HydrophobicContact CD2-CG 3.76Å; F841-M845 HydrophobicContact CE1-CG 4.17Å; F841-M845 HydrophobicContact CE2-CG 3.28Å; F841-M845 HydrophobicContact CE2-SD 4.17Å; F841-M845 HydrophobicContact CG-CG 4.45Å; F841-M845 HydrophobicContact CZ-CB 4.42Å; F841-M845 HydrophobicContact CZ-CG 3.51Å; F841-M845 WeakPolarHBondContact O-CB 3.26Å; F841-M845 WeakPolarHBondContact O-CG 3.49Å; F841-M845 PolarHBondContact O-N 2.91Å; M845-A847 VanDerWaalsContact C-N 3.33Å; M845-V848 HydrophobicContact CE-CB 4.44Å; M845-V848 HydrophobicContact CE-CG1 4.3Å; M845-V848 PolarHBondContact O-N 3.23Å; M845-V848 HydrophobicContact SD-CG2 4.36Å; M845-L849 WeakPolarHBondContact O-CB 3.26Å; M845-L849 WeakPolarHBondContact O-CG 3.44Å; M845-L849 PolarHBondContact O-N 2.89Å; M845-A883 HydrophobicContact CE-CB 4.15Å; M845-L887 HydrophobicContact CB-CD2 3.96Å; M845-L887 HydrophobicContact CE-CD1 4.1Å; M845-L887 HydrophobicContact CE-CD2 3.84Å; M845-L887 HydrophobicContact CE-CG 3.78Å; M845-L887 HydrophobicContact CG-CD2 4.21Å; M845-F899 HydrophobicContact CB-CZ 4.28Å
846	Q	96	Very high	95.5	Very high	112 Å²	112	39 Å²	39	52%	0.523	19%	0.189	S	C	.	.	H	α-helix	trans	-63.5	-41.5	169.6	-76.1	175.1	2.4	0	0	111.5	V842 A843 G844 L849 Y850 F899	V842-Q846 WeakPolarHBondContact O-CB 3.43Å; V842-Q846 WeakPolarHBondContact O-CG 3.43Å; V842-Q846 PolarHBondContact O-N 3.08Å; A843-Q846 PolarHBondContact O-N 2.95Å; G844-Q846 VanDerWaalsContact C-N 3.34Å; G844-Q846 PolarHBondContact O-N 3.36Å; Q846-L849 PolarHBondContact O-N 2.9Å; Q846-Y850 VanDerWaalsContact O-CB 3.25Å; Q846-Y850 WeakPolarHBondContact O-CB 3.48Å; Q846-Y850 PolarHBondContact O-N 3.12Å; Q846-F899 HydrophobicContact CG-CE1 4.04Å; Q846-F899 HydrophobicContact CG-CZ 4.1Å
847	A	95.9	Very high	94.9	Very high	7 Å²	7	43.7 Å²	43.7	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-39.5	176.3	0	0	0	0	0	111.9	P788 L790 A843 G844 M845 Y850 Y851	P788-A847 VanDerWaalsContact O-CB 3.31Å; P788-A847 WeakPolarHBondContact O-CB 3.46Å; L790-A847 HydrophobicContact CD2-CB 3.77Å; L790-A847 HydrophobicContact CG-CB 3.83Å; A843-A847 WeakPolarHBondContact O-CB 3.46Å; A843-A847 PolarHBondContact O-N 3.28Å; G844-A847 CarbonylContact O-C 3.41Å; G844-A847 WeakPolarHBondContact O-CA 3.35Å; G844-A847 WeakPolarHBondContact O-CB 3.46Å; G844-A847 PolarHBondContact O-N 3.41Å; G844-A847 VanDerWaalsContact O-N 3.08Å; M845-A847 VanDerWaalsContact C-N 3.33Å; A847-Y850 PolarHBondContact O-N 3.02Å; A847-Y851 HydrophobicContact CB-CD2 4.02Å; A847-Y851 HydrophobicContact CB-CE2 4.18Å; A847-Y851 WeakPolarHBondContact O-CB 3.46Å; A847-Y851 VanDerWaalsContact O-CD2 3.25Å; A847-Y851 WeakPolarHBondContact O-CD2 3.28Å; A847-Y851 PolarHBondContact O-N 3.29Å
848	V	96.9	Very high	94.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.233	C	C	.	.	I	π-helix	trans	-58.1	-50.9	172.7	169.8	0	0	0	0	110.4	L790 V812 G844 M845 Y850 L852 A853 L864	L790-V848 HydrophobicContact CD2-CG2 3.65Å; V812-V848 HydrophobicContact CG1-CB 4.35Å; V812-V848 HydrophobicContact CG1-CG1 3.97Å; V812-V848 HydrophobicContact CG1-CG2 3.39Å; V812-V848 HydrophobicContact CG2-CG1 4.36Å; G844-V848 WeakPolarHBondContact O-CG2 3.28Å; G844-V848 PolarHBondContact O-N 2.82Å; M845-V848 HydrophobicContact CE-CB 4.44Å; M845-V848 HydrophobicContact CE-CG1 4.3Å; M845-V848 PolarHBondContact O-N 3.23Å; M845-V848 HydrophobicContact SD-CG2 4.36Å; V848-Y850 VanDerWaalsContact C-N 3.26Å; V848-Y850 PolarHBondContact O-N 3.26Å; V848-L852 HydrophobicContact CG1-CB 4.47Å; V848-L852 HydrophobicContact CG1-CD1 4.32Å; V848-L852 HydrophobicContact CG2-CD1 4.31Å; V848-L852 WeakPolarHBondContact O-CA 3.38Å; V848-L852 VanDerWaalsContact O-CB 3.29Å; V848-L852 WeakPolarHBondContact O-CB 3.09Å; V848-L852 PolarHBondContact O-N 2.91Å; V848-A853 PolarHBondContact O-N 2.59Å; V848-L864 HydrophobicContact CG1-CD2 4.14Å
849	L	96.6	Very high	94	Very high	32 Å²	32	48.9 Å²	48.9	17%	0.168	24%	0.244	C	C	.	.	I	π-helix	trans	-64.6	-29.9	179.2	-69.1	170.7	0	0	0	112.8	M845 Q846 A853 L862 L887 F899 D902 I906	M845-L849 WeakPolarHBondContact O-CB 3.26Å; M845-L849 WeakPolarHBondContact O-CG 3.44Å; M845-L849 PolarHBondContact O-N 2.89Å; Q846-L849 PolarHBondContact O-N 2.9Å; L849-A853 WeakPolarHBondContact O-CB 3.3Å; L849-L862 HydrophobicContact CD2-CD2 3.55Å; L849-L887 HydrophobicContact CD1-CD1 4.44Å; L849-L887 HydrophobicContact CD1-CD2 4.36Å; L849-L887 HydrophobicContact CD2-CD1 4.23Å; L849-F899 HydrophobicContact CD1-CD1 4.06Å; L849-F899 HydrophobicContact CD1-CE1 4.07Å; L849-D902 HydrophobicContact CD1-CB 4.11Å; L849-D902 HydrophobicContact CD2-CB 3.76Å; L849-I906 HydrophobicContact CD2-CD1 4.02Å
850	Y	96.1	Very high	93.7	Very high	171 Å²	171	54.2 Å²	54.2	67%	0.671	26%	0.258	S	S	*	.	I	π-helix	trans	-82.6	-50.2	-179.5	-177.9	-103.9	0	0	0	112.8	Q846 A847 V848	Q846-Y850 VanDerWaalsContact O-CB 3.25Å; Q846-Y850 WeakPolarHBondContact O-CB 3.48Å; Q846-Y850 PolarHBondContact O-N 3.12Å; A847-Y850 PolarHBondContact O-N 3.02Å; V848-Y850 VanDerWaalsContact C-N 3.26Å; V848-Y850 PolarHBondContact O-N 3.26Å
851	Y	95.4	Very high	93.6	Very high	53 Å²	53	54.6 Å²	54.6	21%	0.208	26%	0.26	C	S	.	.	I	π-helix	trans	-88	-45.5	-173.5	-65.5	-66.3	0	0	0	112.5	Y787 L790 A847 R854 Y867	Y787-Y851 AromaticContact CD1-CD1 3.68Å; Y787-Y851 HydrophobicContact CD1-CD1 3.68Å; Y787-Y851 HydrophobicContact CD1-CD2 4.45Å; Y787-Y851 AromaticContact CD1-CE1 3.81Å; Y787-Y851 HydrophobicContact CD1-CE1 3.81Å; Y787-Y851 HydrophobicContact CD1-CG 4.03Å; Y787-Y851 HydrophobicContact CE1-CD1 4.22Å; L790-Y851 HydrophobicContact CD1-CD2 3.99Å; L790-Y851 HydrophobicContact CD1-CG 4.33Å; L790-Y851 HydrophobicContact CG-CD2 4.27Å; A847-Y851 HydrophobicContact CB-CD2 4.02Å; A847-Y851 HydrophobicContact CB-CE2 4.18Å; A847-Y851 WeakPolarHBondContact O-CB 3.46Å; A847-Y851 VanDerWaalsContact O-CD2 3.25Å; A847-Y851 WeakPolarHBondContact O-CD2 3.28Å; A847-Y851 PolarHBondContact O-N 3.29Å; Y851-R854 PolarHBondContact O-NH1 3.2Å; Y851-R854 PolarHBondContact O-NH2 3.37Å; Y851-Y867 WeakPolarHBondContact O-CE2 3.32Å
852	L	95.9	Very high	93.6	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.262	C	S	.	.	I	π-helix	trans	-92	-24	-167.7	-54.1	-172	0	0	0	113.5	L790 V812 V848 G865 Y867 Y872	L790-L852 HydrophobicContact CD1-CD1 4.33Å; L790-L852 HydrophobicContact CD1-CD2 4.03Å; L790-L852 HydrophobicContact CD1-CG 4.05Å; V812-L852 HydrophobicContact CG1-CD1 4.33Å; V848-L852 HydrophobicContact CG1-CB 4.47Å; V848-L852 HydrophobicContact CG1-CD1 4.32Å; V848-L852 HydrophobicContact CG2-CD1 4.31Å; V848-L852 WeakPolarHBondContact O-CA 3.38Å; V848-L852 VanDerWaalsContact O-CB 3.29Å; V848-L852 WeakPolarHBondContact O-CB 3.09Å; V848-L852 PolarHBondContact O-N 2.91Å; L852-G865 PolarHBondContact O-N 3.13Å; L852-Y867 HydrophobicContact CD2-CD2 3.67Å; L852-Y867 HydrophobicContact CD2-CE2 4.23Å; L852-Y872 PolarHBondContact O-OH 3.07Å
853	A	95.3	Very high	93.5	Very high	7 Å²	7	53.7 Å²	53.7	6%	0.058	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.8	-172.8	0	0	0	0	0	113.5	V848 L849 L862 F863 L864	V848-A853 PolarHBondContact O-N 2.59Å; L849-A853 WeakPolarHBondContact O-CB 3.3Å; A853-L862 HydrophobicContact CB-CD1 3.67Å; A853-L862 HydrophobicContact CB-CD2 3.83Å; A853-L862 HydrophobicContact CB-CG 3.7Å; A853-F863 CarbonylContact C-O 3.56Å; A853-F863 VanDerWaalsContact CA-O 3.27Å; A853-F863 WeakPolarHBondContact CA-O 2.96Å; A853-L864 HydrophobicContact CB-CD2 3.78Å
854	R	94	Very high	93.5	Very high	65 Å²	65	51.6 Å²	51.6	25%	0.245	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.4	171.3	-63.8	-66.5	179.2	-81.2	-7.8	110.9	Y851 F863 Y872 F928	Y851-R854 PolarHBondContact O-NH1 3.2Å; Y851-R854 PolarHBondContact O-NH2 3.37Å; R854-F863 PolarHBondContact N-O 3.36Å; R854-F863 PolarHBondContact O-N 2.97Å; R854-Y872 HydrophobicContact CG-CE1 4Å; R854-Y872 WeakPolarHBondContact CG-OH 3.34Å; R854-F928 HydrophobicContact CB-CD2 4.32Å; R854-F928 HydrophobicContact CB-CE2 3.78Å; R854-F928 HydrophobicContact CG-CE2 3.86Å
855	P	92.3	Very high	93.4	Very high	60 Å²	60	51.6 Å²	51.6	39%	0.39	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	151	-178.2	32.1	-35.8	0	0	0	112.2	N859 M861 L862	P855-N859 WeakPolarHBondContact CB-OD1 3.37Å; P855-M861 CarbonylContact C-O 3.58Å; P855-M861 WeakPolarHBondContact CA-O 3.28Å; P855-L862 HydrophobicContact CB-CD1 4.31Å
856	S	87.9	Confident	93.2	Very high	9 Å²	9	53 Å²	53	6%	0.063	24%	0.243	C	C	.	.			trans	-64.5	163.6	161.3	60.5	0	0	0	0	111.5	D858 N859 R860 M861	S856-D858 VanDerWaalsContact C-N 3.3Å; S856-D858 WeakPolarHBondContact CB-OD1 3.29Å; S856-D858 PolarHBondContact O-N 3.47Å; S856-D858 PolarHBondContact OG-OD1 3.19Å; S856-N859 VanDerWaalsContact O-CA 3.31Å; S856-N859 WeakPolarHBondContact O-CA 3.35Å; S856-N859 PolarHBondContact O-N 3.48Å; S856-R860 PolarHBondContact OG-N 3Å; S856-R860 VanDerWaalsContact OG-N 3.13Å; S856-M861 PolarHBondContact N-O 2.81Å; S856-M861 PolarHBondContact OG-N 3.18Å; S856-M861 PolarHBondContact OG-O 3.34Å
857	K	84	Confident	93.1	Very high	154 Å²	154	49.3 Å²	49.3	67%	0.67	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-38.3	-176.7	-176.5	178.3	178.9	-173.8	0	112.8	N859 S932 N933	K857-N859 PolarHBondContact O-N 3.14Å; K857-S932 VanDerWaalsContact CA-OG 3.29Å; K857-S932 WeakPolarHBondContact CA-OG 3.48Å; K857-S932 WeakPolarHBondContact CB-OG 3.47Å; K857-S932 PolarHBondContact N-OG 3.48Å; K857-N933 VanDerWaalsContact CD-OD1 3.3Å; K857-N933 WeakPolarHBondContact CD-OD1 3.4Å
858	D	86.4	Confident	92.9	Very high	86 Å²	86	54.8 Å²	54.8	46%	0.46	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.8	174.8	66.8	-7.3	0	0	0	113	S856 R860	S856-D858 VanDerWaalsContact C-N 3.3Å; S856-D858 WeakPolarHBondContact CB-OD1 3.29Å; S856-D858 PolarHBondContact O-N 3.47Å; S856-D858 PolarHBondContact OG-OD1 3.19Å; D858-R860 HydrophobicContact CB-CG 4.25Å; D858-R860 PolarHBondContact O-N 3.15Å; D858-R860 VanDerWaalsContact O-N 3.12Å; D858-R860 PolarHBondContact OD1-N 2.9Å; D858-R860 VanDerWaalsContact OD1-N 3.13Å; D858-R860 VanDerWaalsContact OD2-CD 3.23Å; D858-R860 WeakPolarHBondContact OD2-CD 3.46Å; D858-R860 WeakPolarHBondContact OD2-CG 3.29Å; D858-R860 IonicContact OD2-NE 2.91Å; D858-R860 IonicContact OD2-NH1 3.98Å
859	N	89.4	Confident	92.4	Very high	95 Å²	95	54.9 Å²	54.9	51%	0.508	25%	0.248	S	C	.	.	S	Bend	trans	62	10.8	-179.4	-158	44.1	0	0	0	114.9	P855 S856 K857 R905	P855-N859 WeakPolarHBondContact CB-OD1 3.37Å; S856-N859 VanDerWaalsContact O-CA 3.31Å; S856-N859 WeakPolarHBondContact O-CA 3.35Å; S856-N859 PolarHBondContact O-N 3.48Å; K857-N859 PolarHBondContact O-N 3.14Å; N859-R905 PolarHBondContact O-NE 3.3Å; N859-R905 PolarHBondContact O-NH2 3.21Å; N859-R905 PolarHBondContact OD1-NH2 3.45Å
860	R	90.3	Very high	92.1	Very high	184 Å²	184	62.9 Å²	62.9	69%	0.694	28%	0.276	S	S	*	.			trans	-81.8	-23.9	-176.9	-64.7	-171.9	-179.6	155.6	-7.1	114.5	S856 D858 R905	S856-R860 PolarHBondContact OG-N 3Å; S856-R860 VanDerWaalsContact OG-N 3.13Å; D858-R860 HydrophobicContact CB-CG 4.25Å; D858-R860 PolarHBondContact O-N 3.15Å; D858-R860 VanDerWaalsContact O-N 3.12Å; D858-R860 PolarHBondContact OD1-N 2.9Å; D858-R860 VanDerWaalsContact OD1-N 3.13Å; D858-R860 VanDerWaalsContact OD2-CD 3.23Å; D858-R860 WeakPolarHBondContact OD2-CD 3.46Å; D858-R860 WeakPolarHBondContact OD2-CG 3.29Å; D858-R860 IonicContact OD2-NE 2.91Å; D858-R860 IonicContact OD2-NH1 3.98Å; R860-R905 WeakPolarHBondContact O-CG 3.41Å
861	M	93.7	Very high	91.9	Very high	30 Å²	30	60.2 Å²	60.2	15%	0.148	27%	0.271	C	S	.	.			trans	-119.1	153.3	178.7	-63.5	177.4	-71.3	0	0	110.4	P855 S856 F863 R905 A908 A909 F912 M935	P855-M861 CarbonylContact C-O 3.58Å; P855-M861 WeakPolarHBondContact CA-O 3.28Å; S856-M861 PolarHBondContact N-O 2.81Å; S856-M861 PolarHBondContact OG-N 3.18Å; S856-M861 PolarHBondContact OG-O 3.34Å; M861-F863 HydrophobicContact CB-CE2 3.82Å; M861-F863 HydrophobicContact CB-CZ 4.06Å; M861-F863 HydrophobicContact CE-CE2 4.32Å; M861-F863 HydrophobicContact CE-CZ 4.03Å; M861-F863 HydrophobicContact SD-CZ 3.96Å; M861-R905 WeakPolarHBondContact CA-O 3.48Å; M861-A908 HydrophobicContact CG-CB 3.92Å; M861-A909 HydrophobicContact CB-CB 4.14Å; M861-F912 HydrophobicContact CE-CD2 4.37Å; M861-F912 HydrophobicContact SD-CB 3.67Å; M861-F912 HydrophobicContact SD-CD2 4.09Å; M861-F912 HydrophobicContact SD-CG 3.95Å; M861-M935 HydrophobicContact CE-CE 4.26Å
862	L	94.8	Very high	91.8	Very high	9 Å²	9	59.4 Å²	59.4	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	111.1	176.5	-170.4	68.7	0	0	0	109	L849 A853 P855 D902 R905 I906 A909	L849-L862 HydrophobicContact CD2-CD2 3.55Å; A853-L862 HydrophobicContact CB-CD1 3.67Å; A853-L862 HydrophobicContact CB-CD2 3.83Å; A853-L862 HydrophobicContact CB-CG 3.7Å; P855-L862 HydrophobicContact CB-CD1 4.31Å; L862-D902 HydrophobicContact CD2-CB 4.26Å; L862-R905 HydrophobicContact CB-CB 3.74Å; L862-R905 PolarHBondContact N-O 3.06Å; L862-I906 HydrophobicContact CB-CG1 3.94Å; L862-I906 HydrophobicContact CD2-CD1 4.21Å; L862-I906 HydrophobicContact CD2-CG1 3.96Å; L862-I906 HydrophobicContact CG-CG1 4.18Å; L862-I906 WeakPolarHBondContact O-CA 3.39Å; L862-A909 WeakPolarHBondContact O-CB 3.3Å
863	F	94.2	Very high	91.6	Very high	6 Å²	6	63 Å²	63	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	136.1	-177.2	-61.4	-88	0	0	0	110.2	A853 R854 M861 M876 A909 I926 F928 M935	A853-F863 CarbonylContact C-O 3.56Å; A853-F863 VanDerWaalsContact CA-O 3.27Å; A853-F863 WeakPolarHBondContact CA-O 2.96Å; R854-F863 PolarHBondContact N-O 3.36Å; R854-F863 PolarHBondContact O-N 2.97Å; M861-F863 HydrophobicContact CB-CE2 3.82Å; M861-F863 HydrophobicContact CB-CZ 4.06Å; M861-F863 HydrophobicContact CE-CE2 4.32Å; M861-F863 HydrophobicContact CE-CZ 4.03Å; M861-F863 HydrophobicContact SD-CZ 3.96Å; F863-M876 HydrophobicContact CB-SD 4.17Å; F863-M876 HydrophobicContact CD1-SD 3.95Å; F863-A909 HydrophobicContact CD1-CB 3.76Å; F863-A909 HydrophobicContact CE1-CB 3.71Å; F863-A909 HydrophobicContact CG-CB 4.26Å; F863-A909 HydrophobicContact CZ-CB 4.18Å; F863-I926 HydrophobicContact CD1-CD1 3.72Å; F863-I926 HydrophobicContact CE1-CD1 3.68Å; F863-F928 HydrophobicContact CB-CD1 3.75Å; F863-F928 HydrophobicContact CB-CD2 4.11Å; F863-F928 HydrophobicContact CB-CE1 3.74Å; F863-F928 HydrophobicContact CB-CE2 4.09Å; F863-F928 HydrophobicContact CB-CG 3.93Å; F863-F928 HydrophobicContact CB-CZ 3.89Å; F863-F928 HydrophobicContact CD1-CD1 4.38Å; F863-F928 HydrophobicContact CG-CB 4.43Å; F863-F928 HydrophobicContact CG-CD1 4.23Å; F863-F928 HydrophobicContact CG-CG 4.21Å; F863-M935 HydrophobicContact CE1-SD 3.72Å; F863-M935 HydrophobicContact CE2-SD 4.41Å; F863-M935 HydrophobicContact CZ-CE 3.89Å; F863-M935 HydrophobicContact CZ-SD 3.53Å; F863-M935 VanDerWaalsContact CZ-SD 3.53Å
864	L	95.2	Very high	91.3	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.6	179	-59.6	-178.7	0	0	0	109.6	V812 V848 A853 M876 A883 I906	V812-L864 HydrophobicContact CG2-CD1 3.95Å; V848-L864 HydrophobicContact CG1-CD2 4.14Å; A853-L864 HydrophobicContact CB-CD2 3.78Å; L864-M876 HydrophobicContact CB-CG 4.49Å; L864-M876 WeakPolarHBondContact O-CA 3.42Å; L864-M876 WeakPolarHBondContact O-CB 3.41Å; L864-M876 WeakPolarHBondContact O-CG 3.37Å; L864-A883 HydrophobicContact CD1-CB 3.75Å; L864-I906 HydrophobicContact CD1-CD1 4.16Å; L864-I906 HydrophobicContact CD1-CG2 4.11Å; L864-I906 HydrophobicContact CD2-CD1 4.16Å; L864-I906 HydrophobicContact CD2-CG1 4.41Å; L864-I906 HydrophobicContact CG-CD1 4.4Å; L864-I906 HydrophobicContact CG-CG1 4.42Å; L864-I906 HydrophobicContact CG-CG2 4.44Å
865	G	94	Very high	91	Very high	2 Å²	2	64.7 Å²	64.7	2%	0.021	29%	0.293	C	S	.	.			trans	-96.2	-166.4	171.2	0	0	0	0	0	112.3	L852 K873 R875	L852-G865 PolarHBondContact O-N 3.13Å; G865-K873 WeakPolarHBondContact CA-O 3.47Å; G865-R875 WeakPolarHBondContact CA-O 3.47Å
866	E	94.1	Very high	91	Very high	32 Å²	32	61.9 Å²	61.9	15%	0.15	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	161.4	176.2	64.7	179.3	-172.4	0	0	110.8	Y810 K873	Y810-E866 WeakPolarHBondContact O-CA 3.22Å; E866-K873 HydrophobicContact CG-CB 3.62Å; E866-K873 HydrophobicContact CG-CG 4.14Å; E866-K873 PolarHBondContact N-O 2.85Å; E866-K873 VanDerWaalsContact N-O 3.17Å; E866-K873 PolarHBondContact O-N 3.27Å
867	Y	93.5	Very high	91.3	Very high	33 Å²	33	62.1 Å²	62.1	13%	0.129	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.3	165.2	-82.9	-85	0	0	0	110.3	Y787 T809 Y810 Y851 L852 M871 Y872	Y787-Y867 HydrophobicContact CE1-CD2 4.44Å; Y787-Y867 HydrophobicContact CE1-CE1 4.49Å; Y787-Y867 HydrophobicContact CE1-CE2 4.33Å; Y787-Y867 HydrophobicContact CE2-CD1 4.41Å; Y787-Y867 HydrophobicContact CE2-CD2 4.45Å; Y787-Y867 HydrophobicContact CE2-CG 4.09Å; Y787-Y867 AromaticContact CZ-CD1 3.84Å; Y787-Y867 AromaticContact CZ-CG 3.87Å; Y787-Y867 WeakPolarHBondContact OH-CD1 3.4Å; Y787-Y867 WeakPolarHBondContact OH-CE1 3.19Å; T809-Y867 CarbonylContact C-O 3.58Å; T809-Y867 WeakPolarHBondContact CA-O 3.46Å; Y810-Y867 PolarHBondContact N-O 2.97Å; Y810-Y867 PolarHBondContact O-N 3.35Å; Y851-Y867 WeakPolarHBondContact O-CE2 3.32Å; L852-Y867 HydrophobicContact CD2-CD2 3.67Å; L852-Y867 HydrophobicContact CD2-CE2 4.23Å; Y867-M871 WeakPolarHBondContact CA-O 3.44Å; Y867-Y872 HydrophobicContact CD1-CD2 4.44Å; Y867-Y872 HydrophobicContact CD2-CD2 4.04Å; Y867-Y872 HydrophobicContact CE1-CD2 4.08Å; Y867-Y872 HydrophobicContact CE1-CG 4.32Å; Y867-Y872 AromaticContact CE2-CD2 3.64Å; Y867-Y872 HydrophobicContact CE2-CD2 3.64Å; Y867-Y872 HydrophobicContact CE2-CE2 4.32Å; Y867-Y872 HydrophobicContact CG-CD2 4.41Å; Y867-Y872 AromaticContact CZ-CD2 3.66Å
868	K	90.2	Very high	91.8	Very high	123 Å²	123	55 Å²	55	54%	0.535	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	107.2	160.8	-174.9	172.1	-176.7	170.8	0	108.8	R870 M871	K868-R870 PolarHBondContact O-N 2.95Å; K868-M871 PolarHBondContact N-O 2.82Å; K868-M871 WeakPolarHBondContact O-CB 3.48Å; K868-M871 PolarHBondContact O-N 2.82Å
869	G	87.8	Confident	92.2	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.01	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-119	-165.2	0	0	0	0	0	109.6	Y787 N806 A808	Y787-G869 WeakPolarHBondContact CE2-O 3.19Å; Y787-G869 PolarHBondContact OH-O 2.87Å; N806-G869 VanDerWaalsContact O-CA 3.25Å; N806-G869 WeakPolarHBondContact O-CA 3.22Å; A808-G869 PolarHBondContact O-N 3.26Å
870	R	89.6	Confident	92.6	Very high	201 Å²	201	47.4 Å²	47.4	76%	0.758	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-0.7	174.8	-64.1	-175.8	178.1	-175.6	-1.1	114.6	K868	K868-R870 PolarHBondContact O-N 2.95Å
871	M	91.8	Very high	93	Very high	114 Å²	114	38.6 Å²	38.6	56%	0.562	17%	0.17	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	111.6	-175.9	-173.5	-179.4	-64.7	0	0	110.6	Y867 K868 K873	Y867-M871 WeakPolarHBondContact CA-O 3.44Å; K868-M871 PolarHBondContact N-O 2.82Å; K868-M871 WeakPolarHBondContact O-CB 3.48Å; K868-M871 PolarHBondContact O-N 2.82Å; M871-K873 HydrophobicContact CG-CD 4.46Å; M871-K873 HydrophobicContact SD-CD 4.41Å; M871-K873 WeakPolarHBondContact SD-CE 3.45Å; M871-K873 PolarHBondContact SD-NZ 3.45Å
872	Y	92.7	Very high	93.2	Very high	36 Å²	36	37.6 Å²	37.6	14%	0.141	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	132.6	172.5	-173.6	-109	0	0	0	110.7	L852 R854 Y867 P874 F928	L852-Y872 PolarHBondContact O-OH 3.07Å; R854-Y872 HydrophobicContact CG-CE1 4Å; R854-Y872 WeakPolarHBondContact CG-OH 3.34Å; Y867-Y872 HydrophobicContact CD1-CD2 4.44Å; Y867-Y872 HydrophobicContact CD2-CD2 4.04Å; Y867-Y872 HydrophobicContact CE1-CD2 4.08Å; Y867-Y872 HydrophobicContact CE1-CG 4.32Å; Y867-Y872 AromaticContact CE2-CD2 3.64Å; Y867-Y872 HydrophobicContact CE2-CD2 3.64Å; Y867-Y872 HydrophobicContact CE2-CE2 4.32Å; Y867-Y872 HydrophobicContact CG-CD2 4.41Å; Y867-Y872 AromaticContact CZ-CD2 3.66Å; Y872-P874 HydrophobicContact CD1-CB 4.35Å; Y872-P874 HydrophobicContact CE1-CB 3.82Å; Y872-F928 HydrophobicContact CE1-CE2 4.19Å; Y872-F928 VanDerWaalsContact OH-CE2 3.3Å; Y872-F928 WeakPolarHBondContact OH-CE2 3.45Å; Y872-F928 WeakPolarHBondContact OH-CZ 3.16Å
873	K	91.7	Very high	93.3	Very high	77 Å²	77	37.1 Å²	37.1	34%	0.335	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.7	174.2	-60.2	-64.1	-173.1	177.6	0	108.1	G865 E866 M871 R875	G865-K873 WeakPolarHBondContact CA-O 3.47Å; E866-K873 HydrophobicContact CG-CB 3.62Å; E866-K873 HydrophobicContact CG-CG 4.14Å; E866-K873 PolarHBondContact N-O 2.85Å; E866-K873 VanDerWaalsContact N-O 3.17Å; E866-K873 PolarHBondContact O-N 3.27Å; M871-K873 HydrophobicContact CG-CD 4.46Å; M871-K873 HydrophobicContact SD-CD 4.41Å; M871-K873 WeakPolarHBondContact SD-CE 3.45Å; M871-K873 PolarHBondContact SD-NZ 3.45Å; K873-R875 PolarHBondContact O-N 2.95Å
874	P	90.2	Very high	93.5	Very high	36 Å²	36	36.9 Å²	36.9	23%	0.234	16%	0.161	C	C	.	.			trans	-82.3	63.5	178.3	36.8	-37.7	0	0	0	110.2	Y872 R927 F928	Y872-P874 HydrophobicContact CD1-CB 4.35Å; Y872-P874 HydrophobicContact CE1-CB 3.82Å; P874-R927 WeakPolarHBondContact O-CA 3.43Å; P874-F928 HydrophobicContact CB-CD1 4.49Å; P874-F928 HydrophobicContact CB-CD2 3.7Å; P874-F928 HydrophobicContact CB-CE1 4.4Å; P874-F928 HydrophobicContact CB-CE2 3.6Å; P874-F928 HydrophobicContact CB-CG 4.17Å; P874-F928 HydrophobicContact CB-CZ 3.99Å; P874-F928 WeakPolarHBondContact CB-O 3.49Å; P874-F928 WeakPolarHBondContact CG-O 3.38Å; P874-F928 WeakPolarHBondContact O-CD1 3.37Å; P874-F928 PolarHBondContact O-N 3.01Å
875	R	88.5	Confident	93.7	Very high	71 Å²	71	36.9 Å²	36.9	27%	0.268	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.7	178.4	179.4	-171.2	-177.2	-177.4	-1.9	107.6	G865 K873 F925 I926 R927	G865-R875 WeakPolarHBondContact CA-O 3.47Å; K873-R875 PolarHBondContact O-N 2.95Å; R875-F925 HydrophobicContact CG-CB 4.44Å; R875-F925 HydrophobicContact CG-CD1 4.29Å; R875-F925 VanDerWaalsContact CZ-CD1 3.4Å; R875-I926 CarbonylContact C-O 3.55Å; R875-I926 VanDerWaalsContact CA-O 3.27Å; R875-I926 WeakPolarHBondContact CA-O 3.5Å; R875-R927 HydrophobicContact CB-CG 4.37Å; R875-R927 HydrophobicContact CG-CG 4.44Å
876	M	92	Very high	93.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.6	175.9	-172.8	173.6	176.8	0	0	108.4	F863 L864 T880 I906 A909 F925 I926 F928	F863-M876 HydrophobicContact CB-SD 4.17Å; F863-M876 HydrophobicContact CD1-SD 3.95Å; L864-M876 HydrophobicContact CB-CG 4.49Å; L864-M876 WeakPolarHBondContact O-CA 3.42Å; L864-M876 WeakPolarHBondContact O-CB 3.41Å; L864-M876 WeakPolarHBondContact O-CG 3.37Å; M876-T880 WeakPolarHBondContact CE-OG1 3.24Å; M876-T880 WeakPolarHBondContact CG-OG1 3.49Å; M876-I906 HydrophobicContact CE-CG2 4.2Å; M876-A909 HydrophobicContact CE-CB 4.48Å; M876-A909 HydrophobicContact SD-CB 4.33Å; M876-F925 CarbonylContact O-C 3.45Å; M876-F925 WeakPolarHBondContact O-CA 3.43Å; M876-I926 HydrophobicContact CB-CD1 4.34Å; M876-I926 HydrophobicContact CB-CG1 3.8Å; M876-I926 PolarHBondContact N-O 2.94Å; M876-I926 PolarHBondContact O-N 2.8Å; M876-F928 HydrophobicContact CB-CD1 4.31Å; M876-F928 HydrophobicContact CB-CE1 3.96Å
877	E	93.3	Very high	94.1	Very high	15 Å²	15	35.4 Å²	35.4	7%	0.07	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	151.2	173.5	-34.6	-165.8	159.8	0	0	109.4	A814 L879 T880 E924 F925	A814-E877 WeakPolarHBondContact CB-OE2 3.48Å; A814-E877 PolarHBondContact N-OE2 3.42Å; E877-L879 HydrophobicContact CB-CB 4.41Å; E877-L879 PolarHBondContact O-N 3.26Å; E877-T880 HydrophobicContact CB-CG2 4.1Å; E877-T880 HydrophobicContact CG-CG2 4.26Å; E877-T880 WeakPolarHBondContact O-CB 3.38Å; E877-T880 PolarHBondContact O-N 2.87Å; E877-T880 VanDerWaalsContact O-N 3.08Å; E877-T880 PolarHBondContact O-OG1 3.15Å; E877-E924 WeakPolarHBondContact CA-O 3.27Å; E877-F925 HydrophobicContact CB-CD1 3.84Å; E877-F925 HydrophobicContact CB-CE1 3.8Å; E877-F925 HydrophobicContact CG-CD1 3.7Å; E877-F925 HydrophobicContact CG-CE1 3.52Å
878	H	94.9	Very high	94.3	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.014	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-56.1	-40.7	172.2	-170.5	-78.2	0	0	0	111.6	T880 C881 M913 Y914 E924 R947 E949	H878-T880 PolarHBondContact O-N 2.79Å; H878-T880 VanDerWaalsContact O-N 3.11Å; H878-C881 WeakPolarHBondContact O-CB 3.28Å; H878-C881 PolarHBondContact O-N 2.93Å; H878-C881 PolarHBondContact O-SG 2.81Å; H878-C881 VanDerWaalsContact O-SG 3.34Å; H878-M913 HydrophobicContact CB-CE 3.97Å; H878-Y914 AromaticContact NE2-CE2 3.46Å; H878-Y914 WeakPolarHBondContact NE2-CE2 3.32Å; H878-Y914 AromaticContact NE2-CZ 3.52Å; H878-Y914 PolarHBondContact NE2-OH 2.97Å; H878-E924 PolarHBondContact N-O 2.81Å; H878-R947 WeakPolarHBondContact ND1-CB 3.19Å; H878-E949 IonicContact CE1-OE2 2.59Å; H878-E949 PolarHBondContact CE1-OE2 2.89Å; H878-E949 IonicContact CG-OE2 2.61Å; H878-E949 IonicContact ND1-OE2 2.7Å; H878-E949 PolarHBondContact ND1-OE2 2.97Å
879	L	95.7	Very high	94.6	Very high	20 Å²	20	28.1 Å²	28.1	11%	0.105	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-49.7	-39	175.3	-70.6	168.4	0	0	0	112.3	A814 E877 C881 F882 E949	A814-L879 HydrophobicContact CB-CD1 4.05Å; E877-L879 HydrophobicContact CB-CB 4.41Å; E877-L879 PolarHBondContact O-N 3.26Å; L879-C881 PolarHBondContact O-N 3.31Å; L879-F882 WeakPolarHBondContact O-CD1 3.42Å; L879-F882 PolarHBondContact O-N 2.82Å; L879-E949 HydrophobicContact CD2-CG 4.39Å
880	T	96.9	Very high	95.1	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-62.5	-11.9	-178.6	68.9	0	0	0	0	114.3	V812 M876 E877 H878 F882 A883	V812-T880 HydrophobicContact CG2-CG2 4.1Å; M876-T880 WeakPolarHBondContact CE-OG1 3.24Å; M876-T880 WeakPolarHBondContact CG-OG1 3.49Å; E877-T880 HydrophobicContact CB-CG2 4.1Å; E877-T880 HydrophobicContact CG-CG2 4.26Å; E877-T880 WeakPolarHBondContact O-CB 3.38Å; E877-T880 PolarHBondContact O-N 2.87Å; E877-T880 VanDerWaalsContact O-N 3.08Å; E877-T880 PolarHBondContact O-OG1 3.15Å; H878-T880 PolarHBondContact O-N 2.79Å; H878-T880 VanDerWaalsContact O-N 3.11Å; T880-F882 VanDerWaalsContact C-N 3.27Å; T880-F882 PolarHBondContact O-N 3.11Å; T880-A883 VanDerWaalsContact O-CB 3.25Å; T880-A883 WeakPolarHBondContact O-CB 3.22Å; T880-A883 PolarHBondContact O-N 2.85Å
881	C	98	Very high	95.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-63.2	-26.6	177.7	-71.7	0	0	0	0	114	H878 L879 A883 A884 C910 E949 A950	H878-C881 WeakPolarHBondContact O-CB 3.28Å; H878-C881 PolarHBondContact O-N 2.93Å; H878-C881 PolarHBondContact O-SG 2.81Å; H878-C881 VanDerWaalsContact O-SG 3.34Å; L879-C881 PolarHBondContact O-N 3.31Å; C881-A883 PolarHBondContact O-N 2.74Å; C881-A883 VanDerWaalsContact O-N 3.07Å; C881-A884 PolarHBondContact O-N 2.78Å; C881-A884 VanDerWaalsContact O-N 3.09Å; C881-C910 WeakPolarHBondContact CA-SG 3.31Å; C881-C910 HydrophobicContact CB-CB 3.99Å; C881-C910 WeakPolarHBondContact CB-SG 3.47Å; C881-C910 WeakPolarHBondContact SG-CB 3.36Å; C881-C910 CovalentContact SG-SG 2.03Å; C881-C910 PolarHBondContact SG-SG 3.27Å; C881-E949 HydrophobicContact CB-CB 3.85Å; C881-A950 HydrophobicContact CB-CB 4.44Å
882	F	97.8	Very high	95.6	Very high	8 Å²	8	17.9 Å²	17.9	4%	0.035	8%	0.082	C	C	.	.	H	α-helix	trans	-58.4	-27.3	177.1	80.1	-104.2	0	0	0	111.4	V812 D817 E821 L879 T880 A884 G885 S886 E949 E952	V812-F882 HydrophobicContact CB-CZ 4.36Å; V812-F882 WeakPolarHBondContact O-CE1 3.36Å; V812-F882 WeakPolarHBondContact O-CZ 3.47Å; D817-F882 HydrophobicContact CB-CE1 3.78Å; D817-F882 HydrophobicContact CB-CZ 4.43Å; E821-F882 HydrophobicContact CB-CD2 4.09Å; E821-F882 HydrophobicContact CB-CE2 3.9Å; E821-F882 HydrophobicContact CG-CD2 4.4Å; E821-F882 WeakPolarHBondContact OE2-CD2 3.29Å; L879-F882 WeakPolarHBondContact O-CD1 3.42Å; L879-F882 PolarHBondContact O-N 2.82Å; T880-F882 VanDerWaalsContact C-N 3.27Å; T880-F882 PolarHBondContact O-N 3.11Å; F882-A884 PolarHBondContact O-N 3.44Å; F882-G885 WeakPolarHBondContact O-CA 3.11Å; F882-G885 PolarHBondContact O-N 3.44Å; F882-S886 PolarHBondContact O-N 3.01Å; F882-E949 HydrophobicContact CB-CB 4.31Å; F882-E949 HydrophobicContact CB-CG 4.29Å; F882-E952 WeakPolarHBondContact CB-OE2 3.03Å
883	A	98.2	Very high	95.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.4	-34.5	-179.9	0	0	0	0	0	112.1	M845 L864 T880 C881 S886 L887	M845-A883 HydrophobicContact CE-CB 4.15Å; L864-A883 HydrophobicContact CD1-CB 3.75Å; T880-A883 VanDerWaalsContact O-CB 3.25Å; T880-A883 WeakPolarHBondContact O-CB 3.22Å; T880-A883 PolarHBondContact O-N 2.85Å; C881-A883 PolarHBondContact O-N 2.74Å; C881-A883 VanDerWaalsContact O-N 3.07Å; A883-S886 PolarHBondContact O-N 2.71Å; A883-L887 WeakPolarHBondContact O-CB 3.42Å; A883-L887 VanDerWaalsContact O-CG 3.28Å; A883-L887 WeakPolarHBondContact O-CG 3.48Å; A883-L887 PolarHBondContact O-N 3.45Å
884	A	98.5	Very high	95.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-42.8	173.2	0	0	0	0	0	111.6	C881 F882 L887 A888 A903 I906 A907 A953	C881-A884 PolarHBondContact O-N 2.78Å; C881-A884 VanDerWaalsContact O-N 3.09Å; F882-A884 PolarHBondContact O-N 3.44Å; A884-L887 PolarHBondContact O-N 2.68Å; A884-A888 WeakPolarHBondContact O-CB 3.18Å; A884-A888 PolarHBondContact O-N 3.48Å; A884-A903 WeakPolarHBondContact CB-O 3.4Å; A884-A903 WeakPolarHBondContact O-CB 3.4Å; A884-I906 HydrophobicContact CB-CB 3.94Å; A884-I906 HydrophobicContact CB-CG2 3.83Å; A884-A907 HydrophobicContact CB-CB 4.04Å; A884-A953 HydrophobicContact CB-CB 3.72Å
885	G	98	Very high	95.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.8	-45.3	174.7	0	0	0	0	0	112.3	F882 L887 A888 L889	F882-G885 WeakPolarHBondContact O-CA 3.11Å; F882-G885 PolarHBondContact O-N 3.44Å; G885-L887 PolarHBondContact O-N 2.78Å; G885-A888 PolarHBondContact O-N 2.88Å; G885-L889 WeakPolarHBondContact O-CB 3.38Å; G885-L889 PolarHBondContact O-N 3.38Å
886	S	98.2	Very high	95.2	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.021	10%	0.1	C	C	.	.	H	α-helix	trans	-59.7	-46.2	175.8	-71.6	0	0	0	0	112.8	L824 F882 A883 L889 A890	L824-S886 VanDerWaalsContact CD2-O 3.23Å; L824-S886 WeakPolarHBondContact CD2-O 3.43Å; F882-S886 PolarHBondContact O-N 3.01Å; A883-S886 PolarHBondContact O-N 2.71Å; S886-L889 PolarHBondContact O-N 2.78Å; S886-A890 VanDerWaalsContact O-CB 3.32Å; S886-A890 WeakPolarHBondContact O-CB 3.09Å; S886-A890 PolarHBondContact O-N 3.34Å
887	L	98.5	Very high	94.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.1	-38.6	176.7	-72.3	172	0	0	0	112.4	M845 L849 A883 A884 G885 A890 A891 F899 D902 A903 I906	M845-L887 HydrophobicContact CB-CD2 3.96Å; M845-L887 HydrophobicContact CE-CD1 4.1Å; M845-L887 HydrophobicContact CE-CD2 3.84Å; M845-L887 HydrophobicContact CE-CG 3.78Å; M845-L887 HydrophobicContact CG-CD2 4.21Å; L849-L887 HydrophobicContact CD1-CD1 4.44Å; L849-L887 HydrophobicContact CD1-CD2 4.36Å; L849-L887 HydrophobicContact CD2-CD1 4.23Å; A883-L887 WeakPolarHBondContact O-CB 3.42Å; A883-L887 VanDerWaalsContact O-CG 3.28Å; A883-L887 WeakPolarHBondContact O-CG 3.48Å; A883-L887 PolarHBondContact O-N 3.45Å; A884-L887 PolarHBondContact O-N 2.68Å; G885-L887 PolarHBondContact O-N 2.78Å; L887-A890 WeakPolarHBondContact O-CB 3.42Å; L887-A890 PolarHBondContact O-N 2.88Å; L887-A891 WeakPolarHBondContact O-CB 3.48Å; L887-A891 PolarHBondContact O-N 3.17Å; L887-F899 HydrophobicContact CB-CB 4.29Å; L887-F899 HydrophobicContact CD2-CB 3.88Å; L887-F899 HydrophobicContact CD2-CD1 3.69Å; L887-F899 HydrophobicContact CD2-CD2 4.07Å; L887-F899 HydrophobicContact CD2-CE1 4.15Å; L887-F899 HydrophobicContact CD2-CE2 4.49Å; L887-F899 HydrophobicContact CD2-CG 3.64Å; L887-D902 HydrophobicContact CD1-CB 4.4Å; L887-A903 HydrophobicContact CB-CB 3.69Å; L887-I906 HydrophobicContact CD1-CD1 3.69Å
888	A	98.1	Very high	94.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.4	-47.3	174.6	0	0	0	0	0	111.2	A884 G885 A890 A891 Y892 A903 L957 V960	A884-A888 WeakPolarHBondContact O-CB 3.18Å; A884-A888 PolarHBondContact O-N 3.48Å; G885-A888 PolarHBondContact O-N 2.88Å; A888-A890 VanDerWaalsContact C-N 3.29Å; A888-A890 PolarHBondContact O-N 3.05Å; A888-A891 PolarHBondContact O-N 3.34Å; A888-A891 VanDerWaalsContact O-N 3.16Å; A888-Y892 PolarHBondContact O-N 2.95Å; A888-A903 HydrophobicContact CB-CB 4.21Å; A888-L957 HydrophobicContact CB-CD2 3.77Å; A888-L957 HydrophobicContact CB-CG 3.95Å; A888-V960 HydrophobicContact CB-CG2 4.29Å; A888-V960 WeakPolarHBondContact O-CG2 3.23Å
889	L	97.4	Very high	94.5	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-36.8	176.5	-179	60.1	0	0	0	112.2	L824 K825 L828 G885 S886 Y892 N893 Y956 L1029	L824-L889 HydrophobicContact CD2-CB 4.05Å; L824-L889 HydrophobicContact CD2-CD2 4.03Å; L824-L889 HydrophobicContact CD2-CG 4.01Å; K825-L889 HydrophobicContact CG-CD2 4.39Å; L828-L889 HydrophobicContact CD1-CD1 4.03Å; L828-L889 HydrophobicContact CD1-CD2 3.69Å; L828-L889 HydrophobicContact CD1-CG 3.72Å; G885-L889 WeakPolarHBondContact O-CB 3.38Å; G885-L889 PolarHBondContact O-N 3.38Å; S886-L889 PolarHBondContact O-N 2.78Å; L889-Y892 WeakPolarHBondContact O-CB 3.38Å; L889-Y892 PolarHBondContact O-N 3.24Å; L889-N893 PolarHBondContact O-N 3.29Å; L889-N893 PolarHBondContact O-ND2 3.34Å; L889-Y956 HydrophobicContact CB-CD1 3.92Å; L889-Y956 HydrophobicContact CB-CE1 4.08Å; L889-Y956 HydrophobicContact CD1-CD1 4.15Å; L889-Y956 HydrophobicContact CD1-CE1 3.9Å; L889-Y956 HydrophobicContact CD2-CE1 3.81Å; L889-Y956 HydrophobicContact CG-CD1 4.41Å; L889-Y956 HydrophobicContact CG-CE1 4.14Å; L889-L1029 HydrophobicContact CD1-CB 4.48Å; L889-L1029 HydrophobicContact CD1-CD1 4.18Å
890	A	97.9	Very high	94.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-47.6	173	0	0	0	0	0	111.6	L824 F841 S886 L887 A888 Y892 N893 G894 L895 F899	L824-A890 HydrophobicContact CD1-CB 4.16Å; L824-A890 HydrophobicContact CD2-CB 4.03Å; F841-A890 HydrophobicContact CE1-CB 3.39Å; F841-A890 HydrophobicContact CZ-CB 3.72Å; S886-A890 VanDerWaalsContact O-CB 3.32Å; S886-A890 WeakPolarHBondContact O-CB 3.09Å; S886-A890 PolarHBondContact O-N 3.34Å; L887-A890 WeakPolarHBondContact O-CB 3.42Å; L887-A890 PolarHBondContact O-N 2.88Å; A888-A890 VanDerWaalsContact C-N 3.29Å; A888-A890 PolarHBondContact O-N 3.05Å; A890-Y892 PolarHBondContact O-N 3.34Å; A890-N893 CarbonylContact O-C 3.49Å; A890-N893 WeakPolarHBondContact O-CA 3.27Å; A890-N893 PolarHBondContact O-N 2.64Å; A890-G894 PolarHBondContact O-N 2.85Å; A890-L895 HydrophobicContact CB-CB 4.02Å; A890-L895 HydrophobicContact CB-CD1 4.04Å; A890-L895 HydrophobicContact CB-CG 4.5Å; A890-L895 WeakPolarHBondContact O-CB 3.24Å; A890-L895 PolarHBondContact O-N 3.28Å; A890-F899 HydrophobicContact CB-CD2 4.13Å
891	A	96.6	Very high	94.5	Very high	16 Å²	16	35.5 Å²	35.5	13%	0.132	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-41.7	176.8	0	0	0	0	0	112.1	L887 A888 N893 G894 L900	L887-A891 WeakPolarHBondContact O-CB 3.48Å; L887-A891 PolarHBondContact O-N 3.17Å; A888-A891 PolarHBondContact O-N 3.34Å; A888-A891 VanDerWaalsContact O-N 3.16Å; A891-N893 PolarHBondContact O-N 3.41Å; A891-G894 PolarHBondContact O-N 3.26Å; A891-L900 HydrophobicContact CB-CB 3.82Å; A891-L900 HydrophobicContact CB-CD1 4.47Å
892	Y	94.1	Very high	94.4	Very high	84 Å²	84	36.9 Å²	36.9	33%	0.329	19%	0.191	S	C	.	.	H	α-helix	trans	-53.9	-34.8	172.3	-174.8	-101.9	0	0	0	112.3	A888 L889 A890 V960 L1029 K1030	A888-Y892 PolarHBondContact O-N 2.95Å; L889-Y892 WeakPolarHBondContact O-CB 3.38Å; L889-Y892 PolarHBondContact O-N 3.24Å; A890-Y892 PolarHBondContact O-N 3.34Å; Y892-V960 HydrophobicContact CD2-CG2 3.94Å; Y892-V960 HydrophobicContact CG-CG2 4.18Å; Y892-L1029 HydrophobicContact CD1-CB 4.37Å; Y892-L1029 HydrophobicContact CE1-CB 3.94Å; Y892-K1030 HydrophobicContact CE1-CG 4.2Å; Y892-K1030 WeakPolarHBondContact OH-CE 3.3Å
893	N	94.2	Very high	94.5	Very high	24 Å²	24	36.5 Å²	36.5	13%	0.128	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	10.5	-178.4	-77.8	-72.2	0	0	0	114.5	W827 L828 K832 L889 A890 A891	W827-N893 HydrophobicContact CH2-CB 4.4Å; W827-N893 HydrophobicContact CZ3-CB 4Å; L828-N893 HydrophobicContact CD2-CB 3.87Å; L828-N893 WeakPolarHBondContact CD2-ND2 3.3Å; L828-N893 WeakPolarHBondContact CD2-OD1 3.42Å; K832-N893 WeakPolarHBondContact CE-OD1 3.37Å; K832-N893 PolarHBondContact NZ-O 3.14Å; K832-N893 PolarHBondContact NZ-OD1 3.13Å; L889-N893 PolarHBondContact O-N 3.29Å; L889-N893 PolarHBondContact O-ND2 3.34Å; A890-N893 CarbonylContact O-C 3.49Å; A890-N893 WeakPolarHBondContact O-CA 3.27Å; A890-N893 PolarHBondContact O-N 2.64Å; A891-N893 PolarHBondContact O-N 3.41Å
894	G	92.6	Very high	94.5	Very high	64 Å²	64	39.4 Å²	39.4	66%	0.66	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.3	6.6	173.8	0	0	0	0	0	115	A890 A891 G896	A890-G894 PolarHBondContact O-N 2.85Å; A891-G894 PolarHBondContact O-N 3.26Å; G894-G896 PolarHBondContact O-N 3.02Å
895	L	92	Very high	94.4	Very high	23 Å²	23	41.6 Å²	41.6	12%	0.12	21%	0.211	C	C	.	.	S	Bend	trans	-87.7	87.2	177.5	-53.1	-179.5	0	0	0	110.1	L824 W827 R838 F841 V842 A890 F899	L824-L895 HydrophobicContact CD1-CD1 3.99Å; W827-L895 HydrophobicContact CE3-CD1 4.36Å; W827-L895 HydrophobicContact CH2-CD1 4.26Å; W827-L895 HydrophobicContact CH2-CD2 4.05Å; W827-L895 HydrophobicContact CH2-CG 4.2Å; W827-L895 HydrophobicContact CZ3-CD1 3.75Å; W827-L895 HydrophobicContact CZ3-CD2 4.39Å; W827-L895 HydrophobicContact CZ3-CG 4.11Å; R838-L895 HydrophobicContact CG-CD1 3.99Å; R838-L895 HydrophobicContact CG-CD2 3.72Å; F841-L895 HydrophobicContact CD1-CD1 4.02Å; F841-L895 HydrophobicContact CE1-CD1 4.17Å; V842-L895 HydrophobicContact CG2-CD1 4.16Å; V842-L895 HydrophobicContact CG2-CD2 4.46Å; A890-L895 HydrophobicContact CB-CB 4.02Å; A890-L895 HydrophobicContact CB-CD1 4.04Å; A890-L895 HydrophobicContact CB-CG 4.5Å; A890-L895 WeakPolarHBondContact O-CB 3.24Å; A890-L895 PolarHBondContact O-N 3.28Å; L895-F899 HydrophobicContact CB-CD2 4.3Å; L895-F899 HydrophobicContact CB-CE2 4.43Å; L895-F899 VanDerWaalsContact O-CD2 3.24Å; L895-F899 WeakPolarHBondContact O-CD2 3.29Å
896	G	77.1	Confident	94.4	Very high	44 Å²	44	41.6 Å²	41.6	45%	0.454	21%	0.211	S	C	.	.			trans	62.6	115.5	163	0	0	0	0	0	117.7	G894 R898 F899	G894-G896 PolarHBondContact O-N 3.02Å; G896-R898 PolarHBondContact O-N 3.04Å; G896-F899 WeakPolarHBondContact O-CB 3.4Å; G896-F899 PolarHBondContact O-N 2.75Å
897	Q	77.7	Confident	94.4	Very high	129 Å²	129	41.5 Å²	41.5	60%	0.603	21%	0.21	S	C	*	.	H	α-helix	trans	-59.4	-21	174.5	-161.7	65.6	29.2	0	0	114.2	F899 L900 R901	Q897-F899 VanDerWaalsContact C-N 3.34Å; Q897-L900 VanDerWaalsContact NE2-CD2 3.34Å; Q897-L900 PolarHBondContact O-N 2.87Å; Q897-R901 PolarHBondContact O-N 2.96Å
898	R	89.5	Confident	94.3	Very high	186 Å²	186	42.7 Å²	42.7	70%	0.702	22%	0.22	S	C	*	.	H	α-helix	trans	-61.8	-41.1	172.3	-90.5	-176.6	-173.7	-147.9	3.1	111.6	G896 L900 R901 D902	G896-R898 PolarHBondContact O-N 3.04Å; R898-L900 VanDerWaalsContact C-N 3.28Å; R898-L900 PolarHBondContact O-N 2.76Å; R898-R901 VanDerWaalsContact CG-NH2 3.34Å; R898-R901 PolarHBondContact O-N 3.24Å; R898-R901 VanDerWaalsContact O-N 3.09Å; R898-D902 PolarHBondContact O-N 2.88Å
899	F	96.7	Very high	94.2	Very high	14 Å²	14	42.7 Å²	42.7	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-37.8	177.9	-71.9	-13.7	0	0	0	112.1	F841 V842 M845 Q846 L849 L887 A890 L895 G896 Q897 R901 D902 A903	F841-F899 HydrophobicContact CE1-CE2 4.2Å; V842-F899 HydrophobicContact CG1-CZ 4.3Å; V842-F899 HydrophobicContact CG2-CE2 4.26Å; M845-F899 HydrophobicContact CB-CZ 4.28Å; Q846-F899 HydrophobicContact CG-CE1 4.04Å; Q846-F899 HydrophobicContact CG-CZ 4.1Å; L849-F899 HydrophobicContact CD1-CD1 4.06Å; L849-F899 HydrophobicContact CD1-CE1 4.07Å; L887-F899 HydrophobicContact CB-CB 4.29Å; L887-F899 HydrophobicContact CD2-CB 3.88Å; L887-F899 HydrophobicContact CD2-CD1 3.69Å; L887-F899 HydrophobicContact CD2-CD2 4.07Å; L887-F899 HydrophobicContact CD2-CE1 4.15Å; L887-F899 HydrophobicContact CD2-CE2 4.49Å; L887-F899 HydrophobicContact CD2-CG 3.64Å; A890-F899 HydrophobicContact CB-CD2 4.13Å; L895-F899 HydrophobicContact CB-CD2 4.3Å; L895-F899 HydrophobicContact CB-CE2 4.43Å; L895-F899 VanDerWaalsContact O-CD2 3.24Å; L895-F899 WeakPolarHBondContact O-CD2 3.29Å; G896-F899 WeakPolarHBondContact O-CB 3.4Å; G896-F899 PolarHBondContact O-N 2.75Å; Q897-F899 VanDerWaalsContact C-N 3.34Å; F899-R901 PolarHBondContact O-N 2.63Å; F899-D902 PolarHBondContact O-N 3.08Å; F899-A903 VanDerWaalsContact O-CB 3.25Å; F899-A903 WeakPolarHBondContact O-CB 3.47Å; F899-A903 PolarHBondContact O-N 2.88Å
900	L	97	Very high	94.1	Very high	18 Å²	18	42.5 Å²	42.5	9%	0.094	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-45.4	174.6	-172.8	60.3	0	0	0	111.6	A891 Q897 R898 D902 A903 E904 L957 V960 T961	A891-L900 HydrophobicContact CB-CB 3.82Å; A891-L900 HydrophobicContact CB-CD1 4.47Å; Q897-L900 VanDerWaalsContact NE2-CD2 3.34Å; Q897-L900 PolarHBondContact O-N 2.87Å; R898-L900 VanDerWaalsContact C-N 3.28Å; R898-L900 PolarHBondContact O-N 2.76Å; L900-D902 VanDerWaalsContact C-N 3.34Å; L900-D902 PolarHBondContact O-N 2.72Å; L900-A903 WeakPolarHBondContact O-CB 3.39Å; L900-A903 PolarHBondContact O-N 2.77Å; L900-E904 WeakPolarHBondContact O-CG 3.34Å; L900-E904 PolarHBondContact O-N 3.2Å; L900-L957 HydrophobicContact CD1-CD2 3.88Å; L900-V960 HydrophobicContact CD1-CB 4.46Å; L900-V960 HydrophobicContact CD1-CG1 3.84Å; L900-V960 HydrophobicContact CD2-CG1 4.24Å; L900-T961 HydrophobicContact CD1-CG2 4.01Å; L900-T961 HydrophobicContact CD2-CG2 4.21Å
901	R	95.8	Very high	94.1	Very high	129 Å²	129	44.9 Å²	44.9	49%	0.487	23%	0.228	S	C	.	.	H	α-helix	trans	-62.7	-41.3	178.7	-69.6	-161.6	-60.2	-93.8	6.7	112.5	Q897 R898 F899 E904 R905	Q897-R901 PolarHBondContact O-N 2.96Å; R898-R901 VanDerWaalsContact CG-NH2 3.34Å; R898-R901 PolarHBondContact O-N 3.24Å; R898-R901 VanDerWaalsContact O-N 3.09Å; F899-R901 PolarHBondContact O-N 2.63Å; R901-E904 PolarHBondContact O-N 2.93Å; R901-R905 WeakPolarHBondContact O-CD 3.22Å; R901-R905 VanDerWaalsContact O-CG 3.24Å; R901-R905 WeakPolarHBondContact O-CG 3.01Å; R901-R905 PolarHBondContact O-N 3.01Å
902	D	97.7	Very high	93.9	Very high	29 Å²	29	47.1 Å²	47.1	16%	0.155	23%	0.234	C	C	.	.	H	α-helix	trans	-71.4	-34.2	178.6	-65.2	-42.3	0	0	0	111.5	L849 L862 L887 R898 F899 L900 R905 I906	L849-D902 HydrophobicContact CD1-CB 4.11Å; L849-D902 HydrophobicContact CD2-CB 3.76Å; L862-D902 HydrophobicContact CD2-CB 4.26Å; L887-D902 HydrophobicContact CD1-CB 4.4Å; R898-D902 PolarHBondContact O-N 2.88Å; F899-D902 PolarHBondContact O-N 3.08Å; L900-D902 VanDerWaalsContact C-N 3.34Å; L900-D902 PolarHBondContact O-N 2.72Å; D902-R905 PolarHBondContact O-N 2.68Å; D902-R905 IonicContact OD1-NH1 3.02Å; D902-R905 PolarHBondContact OD1-NH1 3.26Å; D902-I906 WeakPolarHBondContact O-CG1 3.16Å; D902-I906 PolarHBondContact O-N 3.07Å
903	A	98.4	Very high	93.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.6	-48.5	170.5	0	0	0	0	0	111.9	A884 L887 A888 F899 L900 R905 I906 A907 L957	A884-A903 WeakPolarHBondContact CB-O 3.4Å; A884-A903 WeakPolarHBondContact O-CB 3.4Å; L887-A903 HydrophobicContact CB-CB 3.69Å; A888-A903 HydrophobicContact CB-CB 4.21Å; F899-A903 VanDerWaalsContact O-CB 3.25Å; F899-A903 WeakPolarHBondContact O-CB 3.47Å; F899-A903 PolarHBondContact O-N 2.88Å; L900-A903 WeakPolarHBondContact O-CB 3.39Å; L900-A903 PolarHBondContact O-N 2.77Å; A903-R905 VanDerWaalsContact C-N 3.26Å; A903-R905 PolarHBondContact O-N 3.11Å; A903-I906 PolarHBondContact O-N 2.92Å; A903-A907 VanDerWaalsContact O-CB 3.3Å; A903-A907 WeakPolarHBondContact O-CB 3.25Å; A903-A907 PolarHBondContact O-N 3.23Å; A903-L957 HydrophobicContact CB-CD2 3.93Å
904	E	98.1	Very high	93.8	Very high	60 Å²	60	42.5 Å²	42.5	28%	0.28	22%	0.215	S	C	.	.	H	α-helix	trans	-60	-37.6	177.7	-65.3	-172.8	120.8	0	0	111.9	L900 R901 A908 L957 K965 Y966	L900-E904 WeakPolarHBondContact O-CG 3.34Å; L900-E904 PolarHBondContact O-N 3.2Å; R901-E904 PolarHBondContact O-N 2.93Å; E904-A908 WeakPolarHBondContact O-CB 3.13Å; E904-A908 PolarHBondContact O-N 3.28Å; E904-L957 HydrophobicContact CG-CD2 3.91Å; E904-K965 IonicContact OE1-NZ 2.65Å; E904-Y966 WeakPolarHBondContact CG-OH 3.33Å; E904-Y966 PolarHBondContact OE1-OH 2.78Å
905	R	97.6	Very high	93.7	Very high	47 Å²	47	42.3 Å²	42.3	18%	0.177	21%	0.207	C	C	.	.	H	α-helix	trans	-74.6	-38.2	-179.5	-65.6	164.8	70.6	-144.6	-2	112.6	N859 R860 M861 L862 R901 D902 A903 A908 A909	N859-R905 PolarHBondContact O-NE 3.3Å; N859-R905 PolarHBondContact O-NH2 3.21Å; N859-R905 PolarHBondContact OD1-NH2 3.45Å; R860-R905 WeakPolarHBondContact O-CG 3.41Å; M861-R905 WeakPolarHBondContact CA-O 3.48Å; L862-R905 HydrophobicContact CB-CB 3.74Å; L862-R905 PolarHBondContact N-O 3.06Å; R901-R905 WeakPolarHBondContact O-CD 3.22Å; R901-R905 VanDerWaalsContact O-CG 3.24Å; R901-R905 WeakPolarHBondContact O-CG 3.01Å; R901-R905 PolarHBondContact O-N 3.01Å; D902-R905 PolarHBondContact O-N 2.68Å; D902-R905 IonicContact OD1-NH1 3.02Å; D902-R905 PolarHBondContact OD1-NH1 3.26Å; A903-R905 VanDerWaalsContact C-N 3.26Å; A903-R905 PolarHBondContact O-N 3.11Å; R905-A908 PolarHBondContact O-N 3.23Å; R905-A909 PolarHBondContact O-N 3.5Å; R905-A909 VanDerWaalsContact O-N 3.11Å
906	I	98.1	Very high	93.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-44.9	173.3	-64.9	162.4	0	0	0	109.6	L849 L862 L864 M876 A884 L887 D902 A903 A908 A909 C910	L849-I906 HydrophobicContact CD2-CD1 4.02Å; L862-I906 HydrophobicContact CB-CG1 3.94Å; L862-I906 HydrophobicContact CD2-CD1 4.21Å; L862-I906 HydrophobicContact CD2-CG1 3.96Å; L862-I906 HydrophobicContact CG-CG1 4.18Å; L862-I906 WeakPolarHBondContact O-CA 3.39Å; L864-I906 HydrophobicContact CD1-CD1 4.16Å; L864-I906 HydrophobicContact CD1-CG2 4.11Å; L864-I906 HydrophobicContact CD2-CD1 4.16Å; L864-I906 HydrophobicContact CD2-CG1 4.41Å; L864-I906 HydrophobicContact CG-CD1 4.4Å; L864-I906 HydrophobicContact CG-CG1 4.42Å; L864-I906 HydrophobicContact CG-CG2 4.44Å; M876-I906 HydrophobicContact CE-CG2 4.2Å; A884-I906 HydrophobicContact CB-CB 3.94Å; A884-I906 HydrophobicContact CB-CG2 3.83Å; L887-I906 HydrophobicContact CD1-CD1 3.69Å; D902-I906 WeakPolarHBondContact O-CG1 3.16Å; D902-I906 PolarHBondContact O-N 3.07Å; A903-I906 PolarHBondContact O-N 2.92Å; I906-A908 VanDerWaalsContact C-N 3.26Å; I906-A908 PolarHBondContact O-N 3.47Å; I906-A909 WeakPolarHBondContact O-CA 3.42Å; I906-A909 VanDerWaalsContact O-CB 3.3Å; I906-A909 WeakPolarHBondContact O-CB 3.4Å; I906-A909 PolarHBondContact O-N 3.19Å; I906-C910 PolarHBondContact O-N 3.38Å; I906-C910 PolarHBondContact O-SG 2.96Å; I906-C910 VanDerWaalsContact O-SG 3.38Å
907	A	98.3	Very high	94.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-33.8	176	0	0	0	0	0	112.9	A884 A903 C910 R911 L957 W969	A884-A907 HydrophobicContact CB-CB 4.04Å; A903-A907 VanDerWaalsContact O-CB 3.3Å; A903-A907 WeakPolarHBondContact O-CB 3.25Å; A903-A907 PolarHBondContact O-N 3.23Å; A907-C910 WeakPolarHBondContact O-CB 3.37Å; A907-C910 PolarHBondContact O-N 3.48Å; A907-R911 PolarHBondContact O-N 3.14Å; A907-L957 HydrophobicContact CB-CD1 3.2Å; A907-W969 HydrophobicContact CB-CZ3 4.5Å
908	A	96.5	Very high	95.1	Very high	25 Å²	25	39.4 Å²	39.4	21%	0.207	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-38.9	171.6	0	0	0	0	0	112.2	M861 E904 R905 I906 R911 F912	M861-A908 HydrophobicContact CG-CB 3.92Å; E904-A908 WeakPolarHBondContact O-CB 3.13Å; E904-A908 PolarHBondContact O-N 3.28Å; R905-A908 PolarHBondContact O-N 3.23Å; I906-A908 VanDerWaalsContact C-N 3.26Å; I906-A908 PolarHBondContact O-N 3.47Å; A908-R911 PolarHBondContact O-N 2.99Å; A908-F912 WeakPolarHBondContact O-CB 3.01Å; A908-F912 PolarHBondContact O-N 3.16Å
909	A	95	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-42.7	171.9	0	0	0	0	0	111.4	M861 L862 F863 M876 R905 I906 F912 M913	M861-A909 HydrophobicContact CB-CB 4.14Å; L862-A909 WeakPolarHBondContact O-CB 3.3Å; F863-A909 HydrophobicContact CD1-CB 3.76Å; F863-A909 HydrophobicContact CE1-CB 3.71Å; F863-A909 HydrophobicContact CG-CB 4.26Å; F863-A909 HydrophobicContact CZ-CB 4.18Å; M876-A909 HydrophobicContact CE-CB 4.48Å; M876-A909 HydrophobicContact SD-CB 4.33Å; R905-A909 PolarHBondContact O-N 3.5Å; R905-A909 VanDerWaalsContact O-N 3.11Å; I906-A909 WeakPolarHBondContact O-CA 3.42Å; I906-A909 VanDerWaalsContact O-CB 3.3Å; I906-A909 WeakPolarHBondContact O-CB 3.4Å; I906-A909 PolarHBondContact O-N 3.19Å; A909-F912 VanDerWaalsContact O-CB 3.32Å; A909-F912 WeakPolarHBondContact O-CB 3.44Å; A909-F912 PolarHBondContact O-N 3.08Å; A909-F912 VanDerWaalsContact O-N 3.16Å; A909-M913 PolarHBondContact O-N 3.28Å
910	C	96.5	Very high	95.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-46.1	173.6	-64.9	0	0	0	0	111.8	C881 I906 A907 F912 M913 Y914 A950	C881-C910 WeakPolarHBondContact CA-SG 3.31Å; C881-C910 HydrophobicContact CB-CB 3.99Å; C881-C910 WeakPolarHBondContact CB-SG 3.47Å; C881-C910 WeakPolarHBondContact SG-CB 3.36Å; C881-C910 CovalentContact SG-SG 2.03Å; C881-C910 PolarHBondContact SG-SG 3.27Å; I906-C910 PolarHBondContact O-N 3.38Å; I906-C910 PolarHBondContact O-SG 2.96Å; I906-C910 VanDerWaalsContact O-SG 3.38Å; A907-C910 WeakPolarHBondContact O-CB 3.37Å; A907-C910 PolarHBondContact O-N 3.48Å; C910-F912 PolarHBondContact O-N 3.45Å; C910-M913 VanDerWaalsContact O-CB 3.28Å; C910-M913 WeakPolarHBondContact O-CB 3.16Å; C910-M913 PolarHBondContact O-N 2.84Å; C910-M913 VanDerWaalsContact O-N 3.1Å; C910-Y914 WeakPolarHBondContact O-CD2 3.3Å; C910-A950 HydrophobicContact CB-CB 4.29Å
911	R	96.6	Very high	95.4	Very high	50 Å²	50	30.5 Å²	30.5	19%	0.189	16%	0.162	C	C	.	.	H	α-helix	trans	-58.5	-37.1	173.7	174.9	61.3	-174.6	86.9	-0.5	112.1	A907 A908 M913 Y914 A915 W954 W969	A907-R911 PolarHBondContact O-N 3.14Å; A908-R911 PolarHBondContact O-N 2.99Å; R911-M913 VanDerWaalsContact C-N 3.31Å; R911-M913 PolarHBondContact O-N 3.28Å; R911-Y914 PolarHBondContact O-N 3.45Å; R911-A915 PolarHBondContact O-N 3.48Å; R911-A915 VanDerWaalsContact O-N 3.08Å; R911-W954 HydrophobicContact CB-CZ2 4.04Å; R911-W969 HydrophobicContact CB-CD2 3.97Å; R911-W969 HydrophobicContact CB-CE3 3.85Å; R911-W969 HydrophobicContact CB-CH2 4.24Å; R911-W969 HydrophobicContact CB-CZ2 4.38Å; R911-W969 HydrophobicContact CB-CZ3 3.97Å; R911-W969 VanDerWaalsContact CD-CG 3.44Å; R911-W969 HydrophobicContact CG-CD2 3.65Å; R911-W969 HydrophobicContact CG-CE3 4.08Å; R911-W969 HydrophobicContact CG-CG 3.93Å; R911-W969 HydrophobicContact CG-CH2 4.48Å; R911-W969 HydrophobicContact CG-CZ2 4.12Å; R911-W969 HydrophobicContact CG-CZ3 4.45Å
912	F	92.5	Very high	95.2	Very high	63 Å²	63	24.4 Å²	24.4	28%	0.276	14%	0.14	S	C	.	.	H	α-helix	trans	-62.3	-37.3	177.6	-176.6	-88.2	0	0	0	112.2	M861 A908 A909 C910 Y914 A915 M916 M935	M861-F912 HydrophobicContact CE-CD2 4.37Å; M861-F912 HydrophobicContact SD-CB 3.67Å; M861-F912 HydrophobicContact SD-CD2 4.09Å; M861-F912 HydrophobicContact SD-CG 3.95Å; A908-F912 WeakPolarHBondContact O-CB 3.01Å; A908-F912 PolarHBondContact O-N 3.16Å; A909-F912 VanDerWaalsContact O-CB 3.32Å; A909-F912 WeakPolarHBondContact O-CB 3.44Å; A909-F912 PolarHBondContact O-N 3.08Å; A909-F912 VanDerWaalsContact O-N 3.16Å; C910-F912 PolarHBondContact O-N 3.45Å; F912-Y914 PolarHBondContact O-N 3.13Å; F912-A915 PolarHBondContact O-N 2.79Å; F912-A915 VanDerWaalsContact O-N 3.12Å; F912-M916 HydrophobicContact CD1-SD 3.79Å; F912-M916 HydrophobicContact CE1-CB 3.9Å; F912-M916 HydrophobicContact CE1-CG 4.2Å; F912-M916 HydrophobicContact CE1-SD 3.37Å; F912-M916 WeakPolarHBondContact CE1-SD 3.3Å; F912-M916 HydrophobicContact CZ-CB 3.99Å; F912-M916 HydrophobicContact CZ-SD 4.33Å; F912-M916 WeakPolarHBondContact O-CG 3.41Å; F912-M916 PolarHBondContact O-N 2.97Å; F912-M916 VanDerWaalsContact O-N 3.08Å; F912-M935 HydrophobicContact CD1-CE 3.46Å; F912-M935 VanDerWaalsContact CD1-CE 3.46Å; F912-M935 HydrophobicContact CD1-SD 3.66Å; F912-M935 HydrophobicContact CD2-CE 4.16Å; F912-M935 HydrophobicContact CE1-CE 2.98Å; F912-M935 HydrophobicContact CE1-CG 3.77Å; F912-M935 HydrophobicContact CE1-SD 3.32Å; F912-M935 WeakPolarHBondContact CE1-SD 3.06Å; F912-M935 HydrophobicContact CE2-CE 3.73Å; F912-M935 HydrophobicContact CG-CE 4.05Å; F912-M935 HydrophobicContact CZ-CE 3.14Å; F912-M935 HydrophobicContact CZ-CG 4.37Å; F912-M935 HydrophobicContact CZ-SD 4.09Å
913	M	91.7	Very high	95	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-54.2	-35.7	175.3	-62.3	174.9	60.1	0	0	112.5	H878 A909 C910 R911 M916 T917 P923 I926	H878-M913 HydrophobicContact CB-CE 3.97Å; A909-M913 PolarHBondContact O-N 3.28Å; C910-M913 VanDerWaalsContact O-CB 3.28Å; C910-M913 WeakPolarHBondContact O-CB 3.16Å; C910-M913 PolarHBondContact O-N 2.84Å; C910-M913 VanDerWaalsContact O-N 3.1Å; R911-M913 VanDerWaalsContact C-N 3.31Å; R911-M913 PolarHBondContact O-N 3.28Å; M913-M916 WeakPolarHBondContact O-CG 3.36Å; M913-T917 WeakPolarHBondContact O-CG2 3.25Å; M913-P923 VanDerWaalsContact CE-O 3.23Å; M913-P923 WeakPolarHBondContact CE-O 2.94Å; M913-P923 VanDerWaalsContact O-CD 3.26Å; M913-P923 WeakPolarHBondContact O-CD 3.37Å; M913-I926 HydrophobicContact CB-CG2 4.28Å; M913-I926 HydrophobicContact CE-CG2 4.1Å; M913-I926 HydrophobicContact CG-CD1 3.66Å; M913-I926 HydrophobicContact CG-CG1 4.05Å; M913-I926 HydrophobicContact CG-CG2 3.77Å; M913-I926 HydrophobicContact SD-CD1 4.3Å; M913-I926 HydrophobicContact SD-CG1 4.29Å
914	Y	94.7	Very high	94.8	Very high	11 Å²	11	23.5 Å²	23.5	4%	0.043	14%	0.135	C	C	.	.	H	α-helix	trans	-79.5	-46.2	176.4	-69.8	-110.2	0	0	0	111.3	H878 C910 R911 F912 M916 T917 G920 A950 W954 M973	H878-Y914 AromaticContact NE2-CE2 3.46Å; H878-Y914 WeakPolarHBondContact NE2-CE2 3.32Å; H878-Y914 AromaticContact NE2-CZ 3.52Å; H878-Y914 PolarHBondContact NE2-OH 2.97Å; C910-Y914 WeakPolarHBondContact O-CD2 3.3Å; R911-Y914 PolarHBondContact O-N 3.45Å; F912-Y914 PolarHBondContact O-N 3.13Å; Y914-M916 VanDerWaalsContact C-N 3.25Å; Y914-M916 PolarHBondContact O-N 2.68Å; Y914-T917 PolarHBondContact O-N 2.8Å; Y914-T917 PolarHBondContact O-OG1 3.35Å; Y914-G920 VanDerWaalsContact CD1-O 3.28Å; Y914-G920 WeakPolarHBondContact CD1-O 3.49Å; Y914-A950 HydrophobicContact CE2-CB 3.66Å; Y914-W954 HydrophobicContact CD2-CH2 4.36Å; Y914-W954 HydrophobicContact CE2-CH2 4.43Å; Y914-M973 HydrophobicContact CD1-CE 4.34Å; Y914-M973 HydrophobicContact CE1-CE 3.45Å; Y914-M973 VanDerWaalsContact CE1-CE 3.45Å; Y914-M973 HydrophobicContact CE1-CG 4.13Å; Y914-M973 HydrophobicContact CE2-CE 4.23Å; Y914-M973 WeakPolarHBondContact OH-CE 3.48Å
915	A	91.3	Very high	94.4	Very high	60 Å²	60	21.7 Å²	21.7	50%	0.496	13%	0.126	S	C	.	.	H	α-helix	trans	-62.4	-29.4	-174.3	0	0	0	0	0	114	R911 F912 T917	R911-A915 PolarHBondContact O-N 3.48Å; R911-A915 VanDerWaalsContact O-N 3.08Å; F912-A915 PolarHBondContact O-N 2.79Å; F912-A915 VanDerWaalsContact O-N 3.12Å; A915-T917 VanDerWaalsContact C-N 3.25Å; A915-T917 PolarHBondContact O-N 3.04Å
916	M	89	Confident	94	Very high	43 Å²	43	19.5 Å²	19.5	21%	0.212	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-4.2	-177.4	71.7	-171.7	-138.2	0	0	113.8	F912 M913 Y914 P923 I926 V938 Y994	F912-M916 HydrophobicContact CD1-SD 3.79Å; F912-M916 HydrophobicContact CE1-CB 3.9Å; F912-M916 HydrophobicContact CE1-CG 4.2Å; F912-M916 HydrophobicContact CE1-SD 3.37Å; F912-M916 WeakPolarHBondContact CE1-SD 3.3Å; F912-M916 HydrophobicContact CZ-CB 3.99Å; F912-M916 HydrophobicContact CZ-SD 4.33Å; F912-M916 WeakPolarHBondContact O-CG 3.41Å; F912-M916 PolarHBondContact O-N 2.97Å; F912-M916 VanDerWaalsContact O-N 3.08Å; M913-M916 WeakPolarHBondContact O-CG 3.36Å; Y914-M916 VanDerWaalsContact C-N 3.25Å; Y914-M916 PolarHBondContact O-N 2.68Å; M916-P923 HydrophobicContact CE-CG 4.45Å; M916-I926 HydrophobicContact CE-CB 4.37Å; M916-I926 HydrophobicContact CE-CG2 3.46Å; M916-I926 VanDerWaalsContact CE-CG2 3.46Å; M916-I926 HydrophobicContact SD-CG2 4.26Å; M916-V938 HydrophobicContact CE-CG2 3.66Å; M916-Y994 WeakPolarHBondContact CE-OH 3.47Å
917	T	92.1	Very high	93.5	Very high	9 Å²	9	26.1 Å²	26.1	6%	0.055	14%	0.143	C	C	.	.	S	Bend	trans	-103.6	136.4	-178.5	69.9	0	0	0	0	110.4	M913 Y914 A915 T919 G920 L921 V993 Y994	M913-T917 WeakPolarHBondContact O-CG2 3.25Å; Y914-T917 PolarHBondContact O-N 2.8Å; Y914-T917 PolarHBondContact O-OG1 3.35Å; A915-T917 VanDerWaalsContact C-N 3.25Å; A915-T917 PolarHBondContact O-N 3.04Å; T917-T919 PolarHBondContact O-N 2.81Å; T917-G920 PolarHBondContact O-N 3.48Å; T917-G920 WeakPolarHBondContact OG1-CA 3.34Å; T917-G920 PolarHBondContact OG1-N 3.49Å; T917-G920 VanDerWaalsContact OG1-N 3.11Å; T917-L921 WeakPolarHBondContact CG2-O 3Å; T917-L921 PolarHBondContact OG1-N 3.38Å; T917-L921 PolarHBondContact OG1-O 3.43Å; T917-V993 HydrophobicContact CG2-CB 4.07Å; T917-V993 HydrophobicContact CG2-CG2 3.49Å; T917-V993 VanDerWaalsContact CG2-CG2 3.49Å; T917-Y994 HydrophobicContact CG2-CE1 4.18Å
918	P	94	Very high	92.8	Very high	84 Å²	84	26.9 Å²	26.9	55%	0.545	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.7	172.8	-27.8	33.2	0	0	0	114.5	G920 V996	P918-G920 VanDerWaalsContact C-N 3.33Å; P918-V996 HydrophobicContact CB-CG2 3.99Å
919	T	96.3	Very high	91.7	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.1	178.4	55.8	0	0	0	0	113.2	T917 L921 A976 H980 V993 V996 T998	T917-T919 PolarHBondContact O-N 2.81Å; T919-L921 PolarHBondContact O-N 2.95Å; T919-L921 PolarHBondContact OG1-N 2.57Å; T919-A976 VanDerWaalsContact O-CB 3.31Å; T919-A976 WeakPolarHBondContact O-CB 3.16Å; T919-H980 HydrophobicContact CG2-CB 4.5Å; T919-H980 PolarHBondContact O-CD2 3.3Å; T919-V993 WeakPolarHBondContact CB-O 3.4Å; T919-V993 WeakPolarHBondContact CG2-O 3.45Å; T919-V993 PolarHBondContact N-O 3.29Å; T919-V993 PolarHBondContact OG1-O 3.46Å; T919-V996 HydrophobicContact CG2-CG2 3.79Å; T919-T998 HydrophobicContact CG2-CG2 3.42Å; T919-T998 VanDerWaalsContact CG2-CG2 3.42Å
920	G	95.9	Very high	90.1	Very high	25 Å²	25	32.4 Å²	32.4	26%	0.258	18%	0.176	S	C	.	.			trans	68.5	12.5	-171.1	0	0	0	0	0	114.2	Y914 T917 P918 A976	Y914-G920 VanDerWaalsContact CD1-O 3.28Å; Y914-G920 WeakPolarHBondContact CD1-O 3.49Å; T917-G920 PolarHBondContact O-N 3.48Å; T917-G920 WeakPolarHBondContact OG1-CA 3.34Å; T917-G920 PolarHBondContact OG1-N 3.49Å; T917-G920 VanDerWaalsContact OG1-N 3.11Å; P918-G920 VanDerWaalsContact C-N 3.33Å; G920-A976 WeakPolarHBondContact O-CB 3.37Å
921	L	96.6	Very high	88.2	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-100	139.4	177.4	-66.4	174.9	0	0	0	111.2	T917 T919 L946 A976 I977 H980 I990 V993	T917-L921 WeakPolarHBondContact CG2-O 3Å; T917-L921 PolarHBondContact OG1-N 3.38Å; T917-L921 PolarHBondContact OG1-O 3.43Å; T919-L921 PolarHBondContact O-N 2.95Å; T919-L921 PolarHBondContact OG1-N 2.57Å; L921-L946 HydrophobicContact CD1-CD2 4.11Å; L921-L946 HydrophobicContact CD2-CD2 3.87Å; L921-A976 HydrophobicContact CD2-CB 3.74Å; L921-A976 HydrophobicContact CG-CB 4.09Å; L921-I977 HydrophobicContact CD2-CG1 3.85Å; L921-H980 HydrophobicContact CD1-CB 3.96Å; L921-I990 HydrophobicContact CD1-CD1 4.5Å; L921-I990 HydrophobicContact CD1-CG1 3.6Å; L921-V993 HydrophobicContact CB-CG1 4.01Å
922	G	93.3	Very high	85.9	Confident	2 Å²	2	38.6 Å²	38.6	2%	0.021	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-71.8	127.5	179.5	0	0	0	0	0	112.1	S944	G922-S944 WeakPolarHBondContact O-CB 3.08Å; G922-S944 PolarHBondContact O-OG 2.94Å
923	P	93.8	Very high	83.7	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.013	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-73	158.9	169.6	31.6	-34.1	0	0	0	110.9	M913 M916 F925 I926 Y943 V993	M913-P923 VanDerWaalsContact CE-O 3.23Å; M913-P923 WeakPolarHBondContact CE-O 2.94Å; M913-P923 VanDerWaalsContact O-CD 3.26Å; M913-P923 WeakPolarHBondContact O-CD 3.37Å; M916-P923 HydrophobicContact CE-CG 4.45Å; P923-F925 PolarHBondContact O-N 2.92Å; P923-I926 HydrophobicContact CG-CG2 3.92Å; P923-Y943 WeakPolarHBondContact CA-O 3.49Å; P923-V993 HydrophobicContact CB-CG2 3.96Å; P923-V993 HydrophobicContact CG-CG2 4.48Å
924	E	92.1	Very high	81.5	Confident	8 Å²	8	44.2 Å²	44.2	4%	0.037	25%	0.254	C	S	.	.	S	Bend	trans	-60.5	-32.2	177.2	-170.8	67.8	-178.1	0	0	113.4	E877 H878 Y943 R947	E877-E924 WeakPolarHBondContact CA-O 3.27Å; H878-E924 PolarHBondContact N-O 2.81Å; E924-Y943 HydrophobicContact CB-CD2 4.21Å; E924-Y943 HydrophobicContact CB-CE2 3.72Å; E924-Y943 HydrophobicContact CG-CE2 3.88Å; E924-Y943 PolarHBondContact N-O 2.81Å; E924-R947 IonicContact OE1-CZ 3.67Å; E924-R947 IonicContact OE1-NE 3.83Å; E924-R947 PolarHBondContact OE1-NE 3.35Å; E924-R947 IonicContact OE1-NH2 2.78Å; E924-R947 PolarHBondContact OE1-NH2 3.36Å; E924-R947 WeakPolarHBondContact OE2-CD 3.41Å; E924-R947 IonicContact OE2-CZ 3.58Å; E924-R947 IonicContact OE2-NE 3.44Å; E924-R947 PolarHBondContact OE2-NE 2.85Å; E924-R947 IonicContact OE2-NH2 3.77Å
925	F	90.9	Very high	79.4	Confident	22 Å²	22	46.5 Å²	46.5	10%	0.096	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148.5	-178.5	-56.3	-83.4	0	0	0	111.9	R875 M876 E877 P923 P941	R875-F925 HydrophobicContact CG-CB 4.44Å; R875-F925 HydrophobicContact CG-CD1 4.29Å; R875-F925 VanDerWaalsContact CZ-CD1 3.4Å; M876-F925 CarbonylContact O-C 3.45Å; M876-F925 WeakPolarHBondContact O-CA 3.43Å; E877-F925 HydrophobicContact CB-CD1 3.84Å; E877-F925 HydrophobicContact CB-CE1 3.8Å; E877-F925 HydrophobicContact CG-CD1 3.7Å; E877-F925 HydrophobicContact CG-CE1 3.52Å; P923-F925 PolarHBondContact O-N 2.92Å; F925-P941 HydrophobicContact CD2-CG 3.69Å; F925-P941 HydrophobicContact CE2-CG 3.75Å
926	I	88.5	Confident	77.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.6	161.6	64.6	163	0	0	0	111.7	F863 R875 M876 M913 M916 P923 V938	F863-I926 HydrophobicContact CD1-CD1 3.72Å; F863-I926 HydrophobicContact CE1-CD1 3.68Å; R875-I926 CarbonylContact C-O 3.55Å; R875-I926 VanDerWaalsContact CA-O 3.27Å; R875-I926 WeakPolarHBondContact CA-O 3.5Å; M876-I926 HydrophobicContact CB-CD1 4.34Å; M876-I926 HydrophobicContact CB-CG1 3.8Å; M876-I926 PolarHBondContact N-O 2.94Å; M876-I926 PolarHBondContact O-N 2.8Å; M913-I926 HydrophobicContact CB-CG2 4.28Å; M913-I926 HydrophobicContact CE-CG2 4.1Å; M913-I926 HydrophobicContact CG-CD1 3.66Å; M913-I926 HydrophobicContact CG-CG1 4.05Å; M913-I926 HydrophobicContact CG-CG2 3.77Å; M913-I926 HydrophobicContact SD-CD1 4.3Å; M913-I926 HydrophobicContact SD-CG1 4.29Å; M916-I926 HydrophobicContact CE-CB 4.37Å; M916-I926 HydrophobicContact CE-CG2 3.46Å; M916-I926 VanDerWaalsContact CE-CG2 3.46Å; M916-I926 HydrophobicContact SD-CG2 4.26Å; P923-I926 HydrophobicContact CG-CG2 3.92Å; I926-V938 HydrophobicContact CB-CG2 3.91Å; I926-V938 HydrophobicContact CG2-CG2 4.04Å
927	R	87.6	Confident	75.9	Confident	140 Å²	140	60.1 Å²	60.1	53%	0.528	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.3	168.5	-72.9	-176	-178.8	159.4	3.5	108.9	P874 R875 V938	P874-R927 WeakPolarHBondContact O-CA 3.43Å; R875-R927 HydrophobicContact CB-CG 4.37Å; R875-R927 HydrophobicContact CG-CG 4.44Å; R927-V938 HydrophobicContact CB-CG1 4.15Å; R927-V938 HydrophobicContact CG-CG1 4.1Å
928	F	84.3	Confident	74.1	Confident	15 Å²	15	60.2 Å²	60.2	7%	0.066	30%	0.302	C	S	.	.			trans	-119.4	157.4	176.7	53.9	-86.9	0	0	0	110.1	R854 F863 Y872 P874 M876	R854-F928 HydrophobicContact CB-CD2 4.32Å; R854-F928 HydrophobicContact CB-CE2 3.78Å; R854-F928 HydrophobicContact CG-CE2 3.86Å; F863-F928 HydrophobicContact CB-CD1 3.75Å; F863-F928 HydrophobicContact CB-CD2 4.11Å; F863-F928 HydrophobicContact CB-CE1 3.74Å; F863-F928 HydrophobicContact CB-CE2 4.09Å; F863-F928 HydrophobicContact CB-CG 3.93Å; F863-F928 HydrophobicContact CB-CZ 3.89Å; F863-F928 HydrophobicContact CD1-CD1 4.38Å; F863-F928 HydrophobicContact CG-CB 4.43Å; F863-F928 HydrophobicContact CG-CD1 4.23Å; F863-F928 HydrophobicContact CG-CG 4.21Å; Y872-F928 HydrophobicContact CE1-CE2 4.19Å; Y872-F928 VanDerWaalsContact OH-CE2 3.3Å; Y872-F928 WeakPolarHBondContact OH-CE2 3.45Å; Y872-F928 WeakPolarHBondContact OH-CZ 3.16Å; P874-F928 HydrophobicContact CB-CD1 4.49Å; P874-F928 HydrophobicContact CB-CD2 3.7Å; P874-F928 HydrophobicContact CB-CE1 4.4Å; P874-F928 HydrophobicContact CB-CE2 3.6Å; P874-F928 HydrophobicContact CB-CG 4.17Å; P874-F928 HydrophobicContact CB-CZ 3.99Å; P874-F928 WeakPolarHBondContact CB-O 3.49Å; P874-F928 WeakPolarHBondContact CG-O 3.38Å; P874-F928 WeakPolarHBondContact O-CD1 3.37Å; P874-F928 PolarHBondContact O-N 3.01Å; M876-F928 HydrophobicContact CB-CD1 4.31Å; M876-F928 HydrophobicContact CB-CE1 3.96Å
929	G	72	Confident	72.3	Confident	14 Å²	14	58 Å²	58	14%	0.144	30%	0.295	C	S	.	.			trans	-77.2	161.2	177.7	0	0	0	0	0	112.2
930	N	63.4	Low	70.4	Confident	128 Å²	128	62.8 Å²	62.8	68%	0.684	33%	0.329	S	S	*	.	S	Bend	trans	-62.8	-38.3	164.4	-76.3	-7.9	0	0	0	110.6
931	D	55.5	Low	69.4	Low	129 Å²	129	63 Å²	63	69%	0.69	33%	0.325	S	S	*	.	S	Bend	trans	-103	123.7	166.2	-54.1	-33.7	0	0	0	107	N933	D931-N933 PolarHBondContact O-N 2.77Å
932	S	49	Very low	69	Low	50 Å²	50	64.1 Å²	64.1	35%	0.35	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	10.2	-173.3	33.6	0	0	0	0	116.2	K857	K857-S932 VanDerWaalsContact CA-OG 3.29Å; K857-S932 WeakPolarHBondContact CA-OG 3.48Å; K857-S932 WeakPolarHBondContact CB-OG 3.47Å; K857-S932 PolarHBondContact N-OG 3.48Å
933	N	46.3	Very low	69.1	Low	124 Å²	124	66.7 Å²	66.7	66%	0.663	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.2	178.5	-89.6	-12.2	0	0	0	115.1	K857 D931	K857-N933 VanDerWaalsContact CD-OD1 3.3Å; K857-N933 WeakPolarHBondContact CD-OD1 3.4Å; D931-N933 PolarHBondContact O-N 2.77Å
934	S	46	Very low	69.2	Low	58 Å²	58	66.7 Å²	66.7	41%	0.406	34%	0.342	S	S	.	.			trans	-126	56.3	-176.9	63.4	0	0	0	0	113.2	R936	S934-R936 PolarHBondContact O-N 3.03Å
935	M	49.9	Very low	69.4	Low	58 Å²	58	67.3 Å²	67.3	29%	0.286	35%	0.345	S	S	.	.			trans	-71.8	88.8	162.5	-153.9	144.9	46.4	0	0	107.7	M861 F863 F912	M861-M935 HydrophobicContact CE-CE 4.26Å; F863-M935 HydrophobicContact CE1-SD 3.72Å; F863-M935 HydrophobicContact CE2-SD 4.41Å; F863-M935 HydrophobicContact CZ-CE 3.89Å; F863-M935 HydrophobicContact CZ-SD 3.53Å; F863-M935 VanDerWaalsContact CZ-SD 3.53Å; F912-M935 HydrophobicContact CD1-CE 3.46Å; F912-M935 VanDerWaalsContact CD1-CE 3.46Å; F912-M935 HydrophobicContact CD1-SD 3.66Å; F912-M935 HydrophobicContact CD2-CE 4.16Å; F912-M935 HydrophobicContact CE1-CE 2.98Å; F912-M935 HydrophobicContact CE1-CG 3.77Å; F912-M935 HydrophobicContact CE1-SD 3.32Å; F912-M935 WeakPolarHBondContact CE1-SD 3.06Å; F912-M935 HydrophobicContact CE2-CE 3.73Å; F912-M935 HydrophobicContact CG-CE 4.05Å; F912-M935 HydrophobicContact CZ-CE 3.14Å; F912-M935 HydrophobicContact CZ-CG 4.37Å; F912-M935 HydrophobicContact CZ-SD 4.09Å
936	R	53.8	Low	69.7	Low	200 Å²	200	66.6 Å²	66.6	76%	0.755	34%	0.342	S	S	*	.			trans	-84	156.4	177.2	-69.2	-176.3	173.9	-179.3	-1.1	109.5	S934 V938	S934-R936 PolarHBondContact O-N 3.03Å; R936-V938 PolarHBondContact O-N 3.23Å; R936-V938 VanDerWaalsContact O-N 3.12Å
937	R	52	Low	70.1	Confident	190 Å²	190	68.7 Å²	68.7	72%	0.717	35%	0.35	S	S	*	.			trans	-39.3	121.5	157.1	-179	-177.7	179.6	-175.1	0.8	108.3	Y994	R937-Y994 HydrophobicContact CG-CE2 4.45Å
938	V	55.1	Low	70.6	Confident	10 Å²	10	62 Å²	62	6%	0.061	33%	0.325	C	S	.	.			trans	-78.2	140.6	-168.6	-171.3	0	0	0	0	108.9	M916 I926 R927 R936	M916-V938 HydrophobicContact CE-CG2 3.66Å; I926-V938 HydrophobicContact CB-CG2 3.91Å; I926-V938 HydrophobicContact CG2-CG2 4.04Å; R927-V938 HydrophobicContact CB-CG1 4.15Å; R927-V938 HydrophobicContact CG-CG1 4.1Å; R936-V938 PolarHBondContact O-N 3.23Å; R936-V938 VanDerWaalsContact O-N 3.12Å
939	G	55.2	Low	71.3	Confident	37 Å²	37	62.2 Å²	62.2	38%	0.381	33%	0.326	S	S	.	.			trans	-65.5	157.1	167.7	0	0	0	0	0	111.8
940	S	57.9	Low	72.6	Confident	105 Å²	105	61.5 Å²	61.5	73%	0.734	32%	0.319	S	S	*	.	S	Bend	trans	-37.3	140.1	176.5	-177	0	0	0	0	114.4
941	P	74.3	Confident	74.2	Confident	28 Å²	28	55.4 Å²	55.4	18%	0.182	29%	0.287	C	S	.	.			cis	-87	141.3	2.5	6	9.7	0	0	0	114.1	F925 Y943	F925-P941 HydrophobicContact CD2-CG 3.69Å; F925-P941 HydrophobicContact CE2-CG 3.75Å; P941-Y943 HydrophobicContact CB-CD1 3.24Å; P941-Y943 HydrophobicContact CB-CE1 3.14Å; P941-Y943 HydrophobicContact CB-CG 4.3Å; P941-Y943 HydrophobicContact CG-CD1 4.27Å; P941-Y943 HydrophobicContact CG-CE1 3.67Å
942	V	88.1	Confident	76.3	Confident	27 Å²	27	49.6 Å²	49.6	16%	0.164	26%	0.255	C	S	.	.			trans	-108.1	12	177.7	-66.3	0	0	0	0	112.7	D992 V993 Y994	V942-D992 HydrophobicContact CG2-CB 3.93Å; V942-D992 VanDerWaalsContact CG2-CG 3.46Å; V942-D992 WeakPolarHBondContact CG2-OD1 3.34Å; V942-V993 WeakPolarHBondContact O-CG2 3.34Å; V942-V993 PolarHBondContact O-N 2.97Å; V942-Y994 HydrophobicContact CB-CD2 4.12Å; V942-Y994 HydrophobicContact CB-CE2 4.26Å; V942-Y994 HydrophobicContact CG1-CD2 4.03Å; V942-Y994 HydrophobicContact CG1-CE2 3.88Å
943	Y	94.5	Very high	78.7	Confident	55 Å²	55	47.2 Å²	47.2	22%	0.216	24%	0.239	C	C	.	.			trans	-75.1	158.6	178.1	67	-106.1	0	0	0	111.1	P923 E924 P941 L945 I990 V991 K1001	P923-Y943 WeakPolarHBondContact CA-O 3.49Å; E924-Y943 HydrophobicContact CB-CD2 4.21Å; E924-Y943 HydrophobicContact CB-CE2 3.72Å; E924-Y943 HydrophobicContact CG-CE2 3.88Å; E924-Y943 PolarHBondContact N-O 2.81Å; P941-Y943 HydrophobicContact CB-CD1 3.24Å; P941-Y943 HydrophobicContact CB-CE1 3.14Å; P941-Y943 HydrophobicContact CB-CG 4.3Å; P941-Y943 HydrophobicContact CG-CD1 4.27Å; P941-Y943 HydrophobicContact CG-CE1 3.67Å; Y943-L945 HydrophobicContact CD2-CD2 3.74Å; Y943-L945 HydrophobicContact CD2-CG 3.81Å; Y943-L945 HydrophobicContact CE2-CD1 3.84Å; Y943-L945 HydrophobicContact CE2-CD2 3.81Å; Y943-L945 HydrophobicContact CE2-CG 3.6Å; Y943-I990 CarbonylContact C-O 3.52Å; Y943-I990 WeakPolarHBondContact CA-O 3.42Å; Y943-I990 WeakPolarHBondContact CB-O 3.38Å; Y943-V991 VanDerWaalsContact CA-O 3.28Å; Y943-V991 WeakPolarHBondContact CA-O 3.27Å; Y943-V991 WeakPolarHBondContact CB-O 2.96Å; Y943-V991 PolarHBondContact N-O 3.49Å; Y943-K1001 VanDerWaalsContact CG-NZ 3.33Å
944	S	95.8	Very high	81.2	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.014	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-121.5	131.5	169.6	-171.1	0	0	0	0	109.9	G922 L946 S989 I990	G922-S944 WeakPolarHBondContact O-CB 3.08Å; G922-S944 PolarHBondContact O-OG 2.94Å; S944-L946 PolarHBondContact OG-N 3.08Å; S944-S989 CarbonylContact O-C 3.49Å; S944-S989 WeakPolarHBondContact O-CA 3.49Å; S944-S989 WeakPolarHBondContact O-CB 3.39Å; S944-I990 PolarHBondContact N-O 2.81Å; S944-I990 PolarHBondContact O-N 2.93Å
945	L	96.5	Very high	83.6	Confident	21 Å²	21	38.6 Å²	38.6	11%	0.11	19%	0.188	C	C	.	.			trans	-97.6	3.6	172	-54.7	179.4	0	0	0	112.4	Y943 R947 E1005 F1007	Y943-L945 HydrophobicContact CD2-CD2 3.74Å; Y943-L945 HydrophobicContact CD2-CG 3.81Å; Y943-L945 HydrophobicContact CE2-CD1 3.84Å; Y943-L945 HydrophobicContact CE2-CD2 3.81Å; Y943-L945 HydrophobicContact CE2-CG 3.6Å; L945-R947 HydrophobicContact CB-CG 4.25Å; L945-E1005 HydrophobicContact CB-CG 4.24Å; L945-F1007 HydrophobicContact CB-CZ 3.87Å; L945-F1007 WeakPolarHBondContact O-CE2 3.26Å; L945-F1007 WeakPolarHBondContact O-CZ 3.49Å
946	L	97.6	Very high	85.9	Confident	7 Å²	7	35.9 Å²	35.9	4%	0.037	17%	0.174	C	C	.	.			trans	63.7	40	-177.9	-44.6	179.7	0	0	0	114	L921 S944 I977 A981 L1008 T1012	L921-L946 HydrophobicContact CD1-CD2 4.11Å; L921-L946 HydrophobicContact CD2-CD2 3.87Å; S944-L946 PolarHBondContact OG-N 3.08Å; L946-I977 HydrophobicContact CD1-CG2 4.49Å; L946-I977 HydrophobicContact CD2-CG1 4.29Å; L946-A981 HydrophobicContact CD1-CB 3.78Å; L946-A981 HydrophobicContact CD2-CB 4.27Å; L946-L1008 HydrophobicContact CB-CD1 3.98Å; L946-L1008 HydrophobicContact CD1-CD1 4.04Å; L946-L1008 HydrophobicContact CD1-CD2 4.12Å; L946-T1012 PolarHBondContact O-OG1 2.89Å
947	R	97.5	Very high	88	Confident	44 Å²	44	26.3 Å²	26.3	17%	0.166	14%	0.138	C	C	.	.			trans	-64.6	153.7	-174.8	-69	-170.9	-178.5	-81	5.5	115	H878 E924 L945 E949 F1007	H878-R947 WeakPolarHBondContact ND1-CB 3.19Å; E924-R947 IonicContact OE1-CZ 3.67Å; E924-R947 IonicContact OE1-NE 3.83Å; E924-R947 PolarHBondContact OE1-NE 3.35Å; E924-R947 IonicContact OE1-NH2 2.78Å; E924-R947 PolarHBondContact OE1-NH2 3.36Å; E924-R947 WeakPolarHBondContact OE2-CD 3.41Å; E924-R947 IonicContact OE2-CZ 3.58Å; E924-R947 IonicContact OE2-NE 3.44Å; E924-R947 PolarHBondContact OE2-NE 2.85Å; E924-R947 IonicContact OE2-NH2 3.77Å; L945-R947 HydrophobicContact CB-CG 4.25Å; R947-E949 VanDerWaalsContact CB-OE2 3.27Å; R947-E949 WeakPolarHBondContact CB-OE2 3.49Å; R947-E949 WeakPolarHBondContact CD-OE2 3.11Å; R947-F1007 HydrophobicContact CB-CE2 4.44Å; R947-F1007 HydrophobicContact CG-CE2 4.09Å; R947-F1007 HydrophobicContact CG-CZ 3.96Å
948	P	98.3	Very high	90.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	11%	0.105	C	C	.	.	S	Bend	trans	-84.2	-21.6	-175.4	32.3	-37.8	0	0	0	115.7	A950 V951 E952 E1011 T1012 Y1015	P948-A950 VanDerWaalsContact C-N 3.25Å; P948-A950 PolarHBondContact O-N 3Å; P948-V951 HydrophobicContact CB-CG1 4.47Å; P948-V951 WeakPolarHBondContact O-CG1 3.49Å; P948-V951 PolarHBondContact O-N 3.01Å; P948-E952 PolarHBondContact O-N 2.69Å; P948-E1011 HydrophobicContact CB-CB 3.61Å; P948-E1011 HydrophobicContact CG-CB 3.7Å; P948-E1011 HydrophobicContact CG-CG 4.39Å; P948-E1011 WeakPolarHBondContact CG-OE2 3.34Å; P948-T1012 WeakPolarHBondContact CA-OG1 3.04Å; P948-Y1015 HydrophobicContact CB-CD2 3.97Å; P948-Y1015 HydrophobicContact CB-CE2 4.31Å
949	E	98.4	Very high	91.6	Very high	18 Å²	18	17.8 Å²	17.8	8%	0.084	11%	0.105	C	C	.	.	H	α-helix	trans	-60.9	-30	-161.2	-58.3	81.7	-138.1	0	0	114.6	H878 L879 C881 F882 R947 A953	H878-E949 IonicContact CE1-OE2 2.59Å; H878-E949 PolarHBondContact CE1-OE2 2.89Å; H878-E949 IonicContact CG-OE2 2.61Å; H878-E949 IonicContact ND1-OE2 2.7Å; H878-E949 PolarHBondContact ND1-OE2 2.97Å; L879-E949 HydrophobicContact CD2-CG 4.39Å; C881-E949 HydrophobicContact CB-CB 3.85Å; F882-E949 HydrophobicContact CB-CB 4.31Å; F882-E949 HydrophobicContact CB-CG 4.29Å; R947-E949 VanDerWaalsContact CB-OE2 3.27Å; R947-E949 WeakPolarHBondContact CB-OE2 3.49Å; R947-E949 WeakPolarHBondContact CD-OE2 3.11Å; E949-A953 WeakPolarHBondContact O-CB 3.18Å; E949-A953 PolarHBondContact O-N 3.27Å; E949-A953 VanDerWaalsContact O-N 3.11Å
950	A	98.6	Very high	93.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.5	-44.9	173.5	0	0	0	0	0	111.9	C881 C910 Y914 P948 A953 W954 M973	C881-A950 HydrophobicContact CB-CB 4.44Å; C910-A950 HydrophobicContact CB-CB 4.29Å; Y914-A950 HydrophobicContact CE2-CB 3.66Å; P948-A950 VanDerWaalsContact C-N 3.25Å; P948-A950 PolarHBondContact O-N 3Å; A950-A953 PolarHBondContact O-N 3.49Å; A950-W954 HydrophobicContact CB-CH2 4.17Å; A950-W954 HydrophobicContact CB-CZ2 3.9Å; A950-W954 VanDerWaalsContact O-CD1 3.26Å; A950-W954 PolarHBondContact O-N 3.42Å; A950-W954 VanDerWaalsContact O-N 3.13Å; A950-W954 PolarHBondContact O-NE1 3.45Å; A950-M973 HydrophobicContact CB-CE 4.18Å
951	V	98.7	Very high	94.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-73.7	-31.1	177.9	62.4	0	0	0	0	112.1	P948 W954 F955 M973 T1012 L1016 L1019	P948-V951 HydrophobicContact CB-CG1 4.47Å; P948-V951 WeakPolarHBondContact O-CG1 3.49Å; P948-V951 PolarHBondContact O-N 3.01Å; V951-W954 HydrophobicContact CB-CE3 4.25Å; V951-W954 HydrophobicContact CG2-CE3 4.47Å; V951-W954 PolarHBondContact O-N 2.96Å; V951-F955 WeakPolarHBondContact O-CB 3.29Å; V951-F955 PolarHBondContact O-N 3.47Å; V951-M973 HydrophobicContact CB-CE 3.97Å; V951-M973 HydrophobicContact CB-SD 3.78Å; V951-M973 HydrophobicContact CG1-CE 4.4Å; V951-M973 HydrophobicContact CG1-SD 4.05Å; V951-M973 HydrophobicContact CG2-SD 4.42Å; V951-T1012 HydrophobicContact CG1-CG2 4.49Å; V951-L1016 HydrophobicContact CG2-CD2 3.76Å; V951-L1016 HydrophobicContact CG2-CG 3.93Å; V951-L1019 HydrophobicContact CG2-CD2 3.89Å
952	E	98.7	Very high	94.9	Very high	6 Å²	6	16.5 Å²	16.5	3%	0.028	8%	0.083	C	C	.	.	H	α-helix	trans	-56.1	-50.7	168.4	179	-173.1	-164.3	0	0	110.4	K825 F882 P948 W954 F955 Y956 Y1015	K825-E952 IonicContact NZ-OE1 2.77Å; F882-E952 WeakPolarHBondContact CB-OE2 3.03Å; P948-E952 PolarHBondContact O-N 2.69Å; E952-W954 VanDerWaalsContact C-N 3.3Å; E952-W954 PolarHBondContact O-N 3.19Å; E952-F955 WeakPolarHBondContact O-CB 3.5Å; E952-F955 PolarHBondContact O-N 3.15Å; E952-Y956 HydrophobicContact CG-CD2 3.85Å; E952-Y956 HydrophobicContact CG-CE2 3.62Å; E952-Y956 VanDerWaalsContact O-CD2 3.31Å; E952-Y956 WeakPolarHBondContact O-CD2 3.3Å; E952-Y956 PolarHBondContact O-N 3.34Å; E952-Y956 WeakPolarHBondContact OE1-CE2 3.42Å; E952-Y1015 HydrophobicContact CB-CD1 4.38Å; E952-Y1015 HydrophobicContact CB-CD2 3.93Å; E952-Y1015 HydrophobicContact CB-CE1 4.21Å; E952-Y1015 HydrophobicContact CB-CE2 3.69Å; E952-Y1015 HydrophobicContact CB-CG 4.27Å; E952-Y1015 HydrophobicContact CG-CD1 4.49Å; E952-Y1015 HydrophobicContact CG-CE1 3.89Å; E952-Y1015 HydrophobicContact CG-CE2 3.9Å; E952-Y1015 PolarHBondContact OE1-OH 3.34Å
953	A	98.7	Very high	94.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.3	-43.3	178.2	0	0	0	0	0	112.4	A884 E949 A950 Y956 L957	A884-A953 HydrophobicContact CB-CB 3.72Å; E949-A953 WeakPolarHBondContact O-CB 3.18Å; E949-A953 PolarHBondContact O-N 3.27Å; E949-A953 VanDerWaalsContact O-N 3.11Å; A950-A953 PolarHBondContact O-N 3.49Å; A953-Y956 PolarHBondContact O-N 3.19Å; A953-L957 WeakPolarHBondContact O-CB 3.49Å; A953-L957 WeakPolarHBondContact O-CG 3.4Å; A953-L957 PolarHBondContact O-N 3.08Å
954	W	98.7	Very high	94	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-67.6	-37	178.4	-57.8	-17.2	0	0	0	112.2	R911 Y914 A950 V951 E952 L957 Y958 Y966 W969 M973 L1019	R911-W954 HydrophobicContact CB-CZ2 4.04Å; Y914-W954 HydrophobicContact CD2-CH2 4.36Å; Y914-W954 HydrophobicContact CE2-CH2 4.43Å; A950-W954 HydrophobicContact CB-CH2 4.17Å; A950-W954 HydrophobicContact CB-CZ2 3.9Å; A950-W954 VanDerWaalsContact O-CD1 3.26Å; A950-W954 PolarHBondContact O-N 3.42Å; A950-W954 VanDerWaalsContact O-N 3.13Å; A950-W954 PolarHBondContact O-NE1 3.45Å; V951-W954 HydrophobicContact CB-CE3 4.25Å; V951-W954 HydrophobicContact CG2-CE3 4.47Å; V951-W954 PolarHBondContact O-N 2.96Å; E952-W954 VanDerWaalsContact C-N 3.3Å; E952-W954 PolarHBondContact O-N 3.19Å; W954-L957 PolarHBondContact O-N 2.74Å; W954-Y958 VanDerWaalsContact O-CB 3.23Å; W954-Y958 WeakPolarHBondContact O-CB 3.35Å; W954-Y958 PolarHBondContact O-N 3.02Å; W954-Y966 HydrophobicContact CB-CD1 4.26Å; W954-Y966 HydrophobicContact CB-CG 4.49Å; W954-Y966 HydrophobicContact CG-CD1 4.31Å; W954-W969 AromaticContact CD1-CE3 3.63Å; W954-W969 AromaticContact CD1-CZ3 3.98Å; W954-W969 HydrophobicContact CD2-CB 3.95Å; W954-W969 HydrophobicContact CD2-CE3 4.09Å; W954-W969 AromaticContact CE2-CE3 3.74Å; W954-W969 HydrophobicContact CE3-CB 3.77Å; W954-W969 HydrophobicContact CG-CE3 4.05Å; W954-W969 HydrophobicContact CH2-CB 4.11Å; W954-W969 HydrophobicContact CZ2-CB 4.27Å; W954-W969 HydrophobicContact CZ2-CE3 4.4Å; W954-W969 HydrophobicContact CZ3-CB 3.85Å; W954-W969 WeakPolarHBondContact CZ3-O 3.45Å; W954-W969 AromaticContact NE1-CE3 3.41Å; W954-W969 AromaticContact NE1-CZ3 3.81Å; W954-M973 HydrophobicContact CE3-CE 4.41Å; W954-M973 HydrophobicContact CH2-CE 3.73Å; W954-M973 HydrophobicContact CZ3-CB 4.21Å; W954-M973 HydrophobicContact CZ3-CE 3.49Å; W954-M973 VanDerWaalsContact CZ3-CE 3.49Å; W954-M973 HydrophobicContact CZ3-SD 4.27Å; W954-L1019 HydrophobicContact CB-CD2 4.35Å
955	F	98.2	Very high	93.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.5	-54.3	172.5	157.7	-104.8	0	0	0	111.2	V951 E952 L957 Y958 R959 Y1015 L1018 L1019 L1029 F1034	V951-F955 WeakPolarHBondContact O-CB 3.29Å; V951-F955 PolarHBondContact O-N 3.47Å; E952-F955 WeakPolarHBondContact O-CB 3.5Å; E952-F955 PolarHBondContact O-N 3.15Å; F955-L957 PolarHBondContact O-N 2.92Å; F955-Y958 PolarHBondContact O-N 3.16Å; F955-R959 HydrophobicContact CD2-CG 4Å; F955-R959 HydrophobicContact CE2-CG 3.64Å; F955-R959 HydrophobicContact CZ-CG 4.03Å; F955-R959 VanDerWaalsContact O-CG 3.3Å; F955-R959 WeakPolarHBondContact O-CG 3.19Å; F955-R959 PolarHBondContact O-N 3.15Å; F955-Y1015 HydrophobicContact CB-CD1 4.16Å; F955-Y1015 AromaticContact CD1-CD1 3.79Å; F955-Y1015 HydrophobicContact CD1-CD1 3.79Å; F955-Y1015 AromaticContact CD1-CE1 3.85Å; F955-Y1015 HydrophobicContact CD1-CE1 3.85Å; F955-Y1015 HydrophobicContact CE1-CD1 4.42Å; F955-Y1015 HydrophobicContact CE1-CE1 4.21Å; F955-Y1015 HydrophobicContact CG-CD1 4.01Å; F955-L1018 HydrophobicContact CD2-CB 3.78Å; F955-L1018 HydrophobicContact CE2-CB 3.7Å; F955-L1018 HydrophobicContact CE2-CD1 4.46Å; F955-L1019 HydrophobicContact CB-CB 4.45Å; F955-L1029 HydrophobicContact CE1-CD2 4.16Å; F955-L1029 HydrophobicContact CZ-CD2 4.03Å; F955-F1034 HydrophobicContact CE1-CE2 4.28Å; F955-F1034 HydrophobicContact CZ-CE2 4.19Å; F955-F1034 HydrophobicContact CZ-CZ 4.33Å
956	Y	98.2	Very high	93.4	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-61.3	-47.2	178.5	-77.8	-70.9	0	0	0	111.2	L889 E952 A953 Y958 R959 V960 L1029	L889-Y956 HydrophobicContact CB-CD1 3.92Å; L889-Y956 HydrophobicContact CB-CE1 4.08Å; L889-Y956 HydrophobicContact CD1-CD1 4.15Å; L889-Y956 HydrophobicContact CD1-CE1 3.9Å; L889-Y956 HydrophobicContact CD2-CE1 3.81Å; L889-Y956 HydrophobicContact CG-CD1 4.41Å; L889-Y956 HydrophobicContact CG-CE1 4.14Å; E952-Y956 HydrophobicContact CG-CD2 3.85Å; E952-Y956 HydrophobicContact CG-CE2 3.62Å; E952-Y956 VanDerWaalsContact O-CD2 3.31Å; E952-Y956 WeakPolarHBondContact O-CD2 3.3Å; E952-Y956 PolarHBondContact O-N 3.34Å; E952-Y956 WeakPolarHBondContact OE1-CE2 3.42Å; A953-Y956 PolarHBondContact O-N 3.19Å; Y956-Y958 VanDerWaalsContact C-N 3.32Å; Y956-Y958 PolarHBondContact O-N 3.11Å; Y956-R959 WeakPolarHBondContact O-CB 3.44Å; Y956-R959 PolarHBondContact O-N 3.44Å; Y956-R959 VanDerWaalsContact O-N 3.1Å; Y956-V960 VanDerWaalsContact O-CG2 3.27Å; Y956-V960 WeakPolarHBondContact O-CG2 3.45Å; Y956-V960 PolarHBondContact O-N 3.34Å; Y956-L1029 HydrophobicContact CD1-CD1 3.91Å; Y956-L1029 HydrophobicContact CD1-CD2 4.19Å; Y956-L1029 HydrophobicContact CE1-CD1 4.22Å; Y956-L1029 HydrophobicContact CE1-CD2 3.7Å
957	L	98.1	Very high	93	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.1	-42.7	178.9	-78.9	167.2	0	0	0	112.4	A888 L900 A903 E904 A907 A953 W954 F955 V960 T961 Y966	A888-L957 HydrophobicContact CB-CD2 3.77Å; A888-L957 HydrophobicContact CB-CG 3.95Å; L900-L957 HydrophobicContact CD1-CD2 3.88Å; A903-L957 HydrophobicContact CB-CD2 3.93Å; E904-L957 HydrophobicContact CG-CD2 3.91Å; A907-L957 HydrophobicContact CB-CD1 3.2Å; A953-L957 WeakPolarHBondContact O-CB 3.49Å; A953-L957 WeakPolarHBondContact O-CG 3.4Å; A953-L957 PolarHBondContact O-N 3.08Å; W954-L957 PolarHBondContact O-N 2.74Å; F955-L957 PolarHBondContact O-N 2.92Å; L957-V960 PolarHBondContact O-N 3.12Å; L957-T961 WeakPolarHBondContact O-CG2 3.4Å; L957-T961 PolarHBondContact O-N 3.08Å; L957-T961 PolarHBondContact O-OG1 3.15Å; L957-Y966 HydrophobicContact CB-CD1 4.12Å; L957-Y966 HydrophobicContact CB-CD2 3.82Å; L957-Y966 HydrophobicContact CB-CE1 3.88Å; L957-Y966 HydrophobicContact CB-CE2 3.54Å; L957-Y966 HydrophobicContact CB-CG 4.12Å; L957-Y966 HydrophobicContact CD1-CD1 4.31Å; L957-Y966 HydrophobicContact CD1-CE1 3.61Å; L957-Y966 HydrophobicContact CG-CE1 4.33Å; L957-Y966 HydrophobicContact CG-CE2 4.5Å
958	Y	94.7	Very high	92.5	Very high	6 Å²	6	22.1 Å²	22.1	2%	0.024	12%	0.116	C	C	.	.	H	α-helix	trans	-59.8	-45.9	173.6	178.6	-115.5	0	0	0	111.9	W954 F955 Y956 V960 N962 D963 Q967 L1019 D1022 H1024	W954-Y958 VanDerWaalsContact O-CB 3.23Å; W954-Y958 WeakPolarHBondContact O-CB 3.35Å; W954-Y958 PolarHBondContact O-N 3.02Å; F955-Y958 PolarHBondContact O-N 3.16Å; Y956-Y958 VanDerWaalsContact C-N 3.32Å; Y956-Y958 PolarHBondContact O-N 3.11Å; Y958-V960 PolarHBondContact O-N 3.41Å; Y958-N962 VanDerWaalsContact O-CA 3.28Å; Y958-N962 WeakPolarHBondContact O-CA 3.17Å; Y958-N962 PolarHBondContact O-N 3.42Å; Y958-D963 WeakPolarHBondContact CD2-O 3.35Å; Y958-Q967 HydrophobicContact CD1-CG 4.25Å; Y958-Q967 HydrophobicContact CD2-CG 3.81Å; Y958-Q967 HydrophobicContact CE1-CG 4.18Å; Y958-Q967 HydrophobicContact CE2-CG 3.73Å; Y958-Q967 HydrophobicContact CG-CG 4.07Å; Y958-Q967 PolarHBondContact OH-NE2 3.32Å; Y958-Q967 VanDerWaalsContact OH-NE2 3.16Å; Y958-Q967 PolarHBondContact OH-OE1 3Å; Y958-L1019 HydrophobicContact CD1-CD1 4.09Å; Y958-L1019 WeakPolarHBondContact CD1-O 3.4Å; Y958-L1019 WeakPolarHBondContact CE1-O 3.31Å; Y958-L1019 HydrophobicContact CG-CD1 3.96Å; Y958-D1022 WeakPolarHBondContact OH-CA 3.09Å; Y958-D1022 PolarHBondContact OH-OD1 3.37Å; Y958-H1024 AromaticContact CD1-NE2 3.57Å; Y958-H1024 AromaticContact CE1-CD2 3.57Å; Y958-H1024 AromaticContact CE1-NE2 3.09Å; Y958-H1024 WeakPolarHBondContact CE1-NE2 3.43Å; Y958-H1024 AromaticContact CZ-NE2 3.45Å
959	R	86.9	Confident	92.5	Very high	15 Å²	15	24.2 Å²	24.2	6%	0.057	12%	0.124	C	C	.	.	H	α-helix	trans	-60.7	-30.2	176.7	-68.5	-64.9	-177.2	107.8	-4.6	113	F955 Y956 D1021 H1024 L1026 L1027 L1029	F955-R959 HydrophobicContact CD2-CG 4Å; F955-R959 HydrophobicContact CE2-CG 3.64Å; F955-R959 HydrophobicContact CZ-CG 4.03Å; F955-R959 VanDerWaalsContact O-CG 3.3Å; F955-R959 WeakPolarHBondContact O-CG 3.19Å; F955-R959 PolarHBondContact O-N 3.15Å; Y956-R959 WeakPolarHBondContact O-CB 3.44Å; Y956-R959 PolarHBondContact O-N 3.44Å; Y956-R959 VanDerWaalsContact O-N 3.1Å; R959-D1021 IonicContact NH2-OD2 3.93Å; R959-D1021 PolarHBondContact NH2-OD2 3.3Å; R959-H1024 VanDerWaalsContact CZ-CA 3.5Å; R959-H1024 PolarHBondContact NH1-O 3.34Å; R959-H1024 VanDerWaalsContact NH1-O 3.16Å; R959-L1026 PolarHBondContact NH1-O 3.45Å; R959-L1026 VanDerWaalsContact NH1-O 3.07Å; R959-L1026 PolarHBondContact NH2-O 2.79Å; R959-L1027 PolarHBondContact NH1-O 2.93Å; R959-L1029 HydrophobicContact CB-CD1 3.76Å; R959-L1029 HydrophobicContact CG-CD1 4.24Å
960	V	89.6	Confident	92.4	Very high	37 Å²	37	23.4 Å²	23.4	22%	0.224	12%	0.12	C	C	.	.	H	α-helix	trans	-87.5	-42.9	-179.8	-179	0	0	0	0	113.2	A888 Y892 L900 Y956 L957 Y958	A888-V960 HydrophobicContact CB-CG2 4.29Å; A888-V960 WeakPolarHBondContact O-CG2 3.23Å; Y892-V960 HydrophobicContact CD2-CG2 3.94Å; Y892-V960 HydrophobicContact CG-CG2 4.18Å; L900-V960 HydrophobicContact CD1-CB 4.46Å; L900-V960 HydrophobicContact CD1-CG1 3.84Å; L900-V960 HydrophobicContact CD2-CG1 4.24Å; Y956-V960 VanDerWaalsContact O-CG2 3.27Å; Y956-V960 WeakPolarHBondContact O-CG2 3.45Å; Y956-V960 PolarHBondContact O-N 3.34Å; L957-V960 PolarHBondContact O-N 3.12Å; Y958-V960 PolarHBondContact O-N 3.41Å
961	T	86.8	Confident	92.2	Very high	41 Å²	41	26.1 Å²	26.1	25%	0.252	13%	0.13	S	C	.	.	H	α-helix	trans	-103	-20.8	-170	70.7	0	0	0	0	113.8	L900 L957 D963 Y966	L900-T961 HydrophobicContact CD1-CG2 4.01Å; L900-T961 HydrophobicContact CD2-CG2 4.21Å; L957-T961 WeakPolarHBondContact O-CG2 3.4Å; L957-T961 PolarHBondContact O-N 3.08Å; L957-T961 PolarHBondContact O-OG1 3.15Å; T961-D963 PolarHBondContact O-N 2.96Å; T961-D963 VanDerWaalsContact OG1-CB 3.26Å; T961-D963 WeakPolarHBondContact OG1-CB 3.23Å; T961-D963 PolarHBondContact OG1-N 3.47Å; T961-D963 VanDerWaalsContact OG1-N 3.13Å; T961-Y966 WeakPolarHBondContact OG1-CE2 3.09Å
962	N	80.7	Confident	92.1	Very high	65 Å²	65	29.2 Å²	29.2	35%	0.348	14%	0.144	S	C	.	.			trans	57.7	26.2	-170.1	-160.6	86.6	0	0	0	113.1	Y958	Y958-N962 VanDerWaalsContact O-CA 3.28Å; Y958-N962 WeakPolarHBondContact O-CA 3.17Å; Y958-N962 PolarHBondContact O-N 3.42Å
963	D	82	Confident	92.1	Very high	54 Å²	54	29.1 Å²	29.1	29%	0.289	14%	0.144	S	C	.	.			trans	-85.3	114.3	177.7	-172.7	-19.1	0	0	0	110.5	Y958 T961 K965 Y966	Y958-D963 WeakPolarHBondContact CD2-O 3.35Å; T961-D963 PolarHBondContact O-N 2.96Å; T961-D963 VanDerWaalsContact OG1-CB 3.26Å; T961-D963 WeakPolarHBondContact OG1-CB 3.23Å; T961-D963 PolarHBondContact OG1-N 3.47Å; T961-D963 VanDerWaalsContact OG1-N 3.13Å; D963-K965 PolarHBondContact O-N 2.62Å; D963-K965 VanDerWaalsContact O-N 3.13Å; D963-K965 WeakPolarHBondContact OD1-CB 3.1Å; D963-K965 VanDerWaalsContact OD1-CG 3.31Å; D963-K965 WeakPolarHBondContact OD1-CG 3.23Å; D963-K965 PolarHBondContact OD1-N 3.01Å; D963-K965 VanDerWaalsContact OD2-CD 3.24Å; D963-K965 WeakPolarHBondContact OD2-CD 3.49Å; D963-K965 WeakPolarHBondContact OD2-CE 3.48Å; D963-K965 IonicContact OD2-NZ 3.82Å; D963-K965 PolarHBondContact OD2-NZ 3.03Å; D963-Y966 HydrophobicContact CB-CD2 4.03Å; D963-Y966 HydrophobicContact CB-CE2 3.84Å; D963-Y966 VanDerWaalsContact O-CD2 3.23Å; D963-Y966 WeakPolarHBondContact O-CD2 3.15Å; D963-Y966 PolarHBondContact O-N 2.97Å
964	T	81.2	Confident	92	Very high	73 Å²	73	29.2 Å²	29.2	45%	0.448	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.7	-174.4	53.8	0	0	0	0	113.5	Y966 Q967 E968	T964-Y966 PolarHBondContact O-N 3.38Å; T964-Q967 WeakPolarHBondContact O-CB 3.48Å; T964-Q967 PolarHBondContact O-N 2.76Å; T964-Q967 VanDerWaalsContact O-N 3.09Å; T964-E968 PolarHBondContact O-N 2.65Å
965	K	86.5	Confident	91.9	Very high	67 Å²	67	33.1 Å²	33.1	29%	0.291	16%	0.163	S	C	.	.	H	α-helix	trans	-57.7	-33	174.7	79.4	-170.9	176.4	-142.8	0	112.4	E904 D963 E968 W969	E904-K965 IonicContact OE1-NZ 2.65Å; D963-K965 PolarHBondContact O-N 2.62Å; D963-K965 VanDerWaalsContact O-N 3.13Å; D963-K965 WeakPolarHBondContact OD1-CB 3.1Å; D963-K965 VanDerWaalsContact OD1-CG 3.31Å; D963-K965 WeakPolarHBondContact OD1-CG 3.23Å; D963-K965 PolarHBondContact OD1-N 3.01Å; D963-K965 VanDerWaalsContact OD2-CD 3.24Å; D963-K965 WeakPolarHBondContact OD2-CD 3.49Å; D963-K965 WeakPolarHBondContact OD2-CE 3.48Å; D963-K965 IonicContact OD2-NZ 3.82Å; D963-K965 PolarHBondContact OD2-NZ 3.03Å; K965-E968 WeakPolarHBondContact O-CB 3.47Å; K965-E968 PolarHBondContact O-N 2.88Å; K965-W969 HydrophobicContact CD-CH2 4.45Å; K965-W969 HydrophobicContact CD-CZ2 4.19Å; K965-W969 HydrophobicContact CG-CZ2 4.25Å; K965-W969 PolarHBondContact O-N 3.28Å
966	Y	93.6	Very high	92	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-67.5	-39.7	178.4	-63	-56.2	0	0	0	111.4	E904 W954 L957 T961 D963 T964 E968 W969 G970	E904-Y966 WeakPolarHBondContact CG-OH 3.33Å; E904-Y966 PolarHBondContact OE1-OH 2.78Å; W954-Y966 HydrophobicContact CB-CD1 4.26Å; W954-Y966 HydrophobicContact CB-CG 4.49Å; W954-Y966 HydrophobicContact CG-CD1 4.31Å; L957-Y966 HydrophobicContact CB-CD1 4.12Å; L957-Y966 HydrophobicContact CB-CD2 3.82Å; L957-Y966 HydrophobicContact CB-CE1 3.88Å; L957-Y966 HydrophobicContact CB-CE2 3.54Å; L957-Y966 HydrophobicContact CB-CG 4.12Å; L957-Y966 HydrophobicContact CD1-CD1 4.31Å; L957-Y966 HydrophobicContact CD1-CE1 3.61Å; L957-Y966 HydrophobicContact CG-CE1 4.33Å; L957-Y966 HydrophobicContact CG-CE2 4.5Å; T961-Y966 WeakPolarHBondContact OG1-CE2 3.09Å; D963-Y966 HydrophobicContact CB-CD2 4.03Å; D963-Y966 HydrophobicContact CB-CE2 3.84Å; D963-Y966 VanDerWaalsContact O-CD2 3.23Å; D963-Y966 WeakPolarHBondContact O-CD2 3.15Å; D963-Y966 PolarHBondContact O-N 2.97Å; T964-Y966 PolarHBondContact O-N 3.38Å; Y966-E968 VanDerWaalsContact C-N 3.33Å; Y966-W969 AromaticContact CD1-CE3 3.69Å; Y966-W969 HydrophobicContact CD1-CE3 3.69Å; Y966-W969 HydrophobicContact CD1-CH2 4.37Å; Y966-W969 AromaticContact CD1-CZ3 3.59Å; Y966-W969 HydrophobicContact CD1-CZ3 3.59Å; Y966-W969 HydrophobicContact CE1-CE3 4.12Å; Y966-W969 HydrophobicContact CE1-CH2 4.04Å; Y966-W969 AromaticContact CE1-CZ3 3.52Å; Y966-W969 HydrophobicContact CE1-CZ3 3.52Å; Y966-W969 PolarHBondContact O-N 3.26Å; Y966-G970 PolarHBondContact O-N 3.43Å
967	Q	89.5	Confident	92	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.047	17%	0.166	C	C	.	.	H	α-helix	trans	-65.2	-39.2	171.9	-59.6	-178.4	-62.4	0	0	110.8	R583 Y958 T964 W969 G970 W971 L1019 F1020 D1022	R583-Q967 PolarHBondContact NH1-O 3.16Å; Y958-Q967 HydrophobicContact CD1-CG 4.25Å; Y958-Q967 HydrophobicContact CD2-CG 3.81Å; Y958-Q967 HydrophobicContact CE1-CG 4.18Å; Y958-Q967 HydrophobicContact CE2-CG 3.73Å; Y958-Q967 HydrophobicContact CG-CG 4.07Å; Y958-Q967 PolarHBondContact OH-NE2 3.32Å; Y958-Q967 VanDerWaalsContact OH-NE2 3.16Å; Y958-Q967 PolarHBondContact OH-OE1 3Å; T964-Q967 WeakPolarHBondContact O-CB 3.48Å; T964-Q967 PolarHBondContact O-N 2.76Å; T964-Q967 VanDerWaalsContact O-N 3.09Å; Q967-W969 VanDerWaalsContact C-N 3.32Å; Q967-W969 PolarHBondContact O-N 3.3Å; Q967-G970 PolarHBondContact O-N 3.01Å; Q967-W971 WeakPolarHBondContact O-CB 3.29Å; Q967-W971 PolarHBondContact O-N 3Å; Q967-L1019 HydrophobicContact CG-CD1 3.87Å; Q967-L1019 HydrophobicContact CG-CG 4.14Å; Q967-L1019 WeakPolarHBondContact CG-O 3.3Å; Q967-L1019 PolarHBondContact NE2-O 2.93Å; Q967-F1020 HydrophobicContact CB-CD1 4.24Å; Q967-F1020 HydrophobicContact CB-CE1 4.27Å; Q967-F1020 WeakPolarHBondContact O-CE1 3.38Å; Q967-D1022 PolarHBondContact NE2-OD1 2.87Å
968	E	86.3	Confident	92	Very high	69 Å²	69	35.8 Å²	35.8	32%	0.322	18%	0.176	S	C	.	.	H	α-helix	trans	-62.5	-39.1	175.5	-174.7	53.4	-147.3	0	0	112.4	R583 T964 K965 Y966 W971 Q972	R583-E968 IonicContact CZ-OE2 3.98Å; R583-E968 IonicContact NH1-OE2 3.89Å; R583-E968 IonicContact NH2-OE2 3.44Å; R583-E968 PolarHBondContact NH2-OE2 3.31Å; T964-E968 PolarHBondContact O-N 2.65Å; K965-E968 WeakPolarHBondContact O-CB 3.47Å; K965-E968 PolarHBondContact O-N 2.88Å; Y966-E968 VanDerWaalsContact C-N 3.33Å; E968-W971 PolarHBondContact O-N 2.88Å; E968-Q972 VanDerWaalsContact O-CG 3.3Å; E968-Q972 WeakPolarHBondContact O-CG 3.25Å; E968-Q972 PolarHBondContact O-N 2.82Å; E968-Q972 PolarHBondContact OE1-NE2 3.34Å
969	W	97.5	Very high	92.1	Very high	45 Å²	45	41.2 Å²	41.2	17%	0.17	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-43.6	174.2	-62.9	-8.2	0	0	0	112.6	A907 R911 W954 K965 Y966 Q967 W971 Q972 M973	A907-W969 HydrophobicContact CB-CZ3 4.5Å; R911-W969 HydrophobicContact CB-CD2 3.97Å; R911-W969 HydrophobicContact CB-CE3 3.85Å; R911-W969 HydrophobicContact CB-CH2 4.24Å; R911-W969 HydrophobicContact CB-CZ2 4.38Å; R911-W969 HydrophobicContact CB-CZ3 3.97Å; R911-W969 VanDerWaalsContact CD-CG 3.44Å; R911-W969 HydrophobicContact CG-CD2 3.65Å; R911-W969 HydrophobicContact CG-CE3 4.08Å; R911-W969 HydrophobicContact CG-CG 3.93Å; R911-W969 HydrophobicContact CG-CH2 4.48Å; R911-W969 HydrophobicContact CG-CZ2 4.12Å; R911-W969 HydrophobicContact CG-CZ3 4.45Å; W954-W969 AromaticContact CD1-CE3 3.63Å; W954-W969 AromaticContact CD1-CZ3 3.98Å; W954-W969 HydrophobicContact CD2-CB 3.95Å; W954-W969 HydrophobicContact CD2-CE3 4.09Å; W954-W969 AromaticContact CE2-CE3 3.74Å; W954-W969 HydrophobicContact CE3-CB 3.77Å; W954-W969 HydrophobicContact CG-CE3 4.05Å; W954-W969 HydrophobicContact CH2-CB 4.11Å; W954-W969 HydrophobicContact CZ2-CB 4.27Å; W954-W969 HydrophobicContact CZ2-CE3 4.4Å; W954-W969 HydrophobicContact CZ3-CB 3.85Å; W954-W969 WeakPolarHBondContact CZ3-O 3.45Å; W954-W969 AromaticContact NE1-CE3 3.41Å; W954-W969 AromaticContact NE1-CZ3 3.81Å; K965-W969 HydrophobicContact CD-CH2 4.45Å; K965-W969 HydrophobicContact CD-CZ2 4.19Å; K965-W969 HydrophobicContact CG-CZ2 4.25Å; K965-W969 PolarHBondContact O-N 3.28Å; Y966-W969 AromaticContact CD1-CE3 3.69Å; Y966-W969 HydrophobicContact CD1-CE3 3.69Å; Y966-W969 HydrophobicContact CD1-CH2 4.37Å; Y966-W969 AromaticContact CD1-CZ3 3.59Å; Y966-W969 HydrophobicContact CD1-CZ3 3.59Å; Y966-W969 HydrophobicContact CE1-CE3 4.12Å; Y966-W969 HydrophobicContact CE1-CH2 4.04Å; Y966-W969 AromaticContact CE1-CZ3 3.52Å; Y966-W969 HydrophobicContact CE1-CZ3 3.52Å; Y966-W969 PolarHBondContact O-N 3.26Å; Q967-W969 VanDerWaalsContact C-N 3.32Å; Q967-W969 PolarHBondContact O-N 3.3Å; W969-W971 VanDerWaalsContact C-N 3.3Å; W969-W971 PolarHBondContact O-N 3.15Å; W969-Q972 PolarHBondContact O-N 3.22Å; W969-M973 PolarHBondContact O-N 3.11Å
970	G	98.1	Very high	92.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-37.4	172.7	0	0	0	0	0	112.6	Y966 Q967 M973 L974 L1016	Y966-G970 PolarHBondContact O-N 3.43Å; Q967-G970 PolarHBondContact O-N 3.01Å; G970-M973 WeakPolarHBondContact O-CB 3.48Å; G970-M973 PolarHBondContact O-N 3.31Å; G970-L974 PolarHBondContact O-N 2.65Å; G970-L1016 WeakPolarHBondContact O-CD2 3.48Å
971	W	94.5	Very high	93	Very high	58 Å²	58	40.7 Å²	40.7	22%	0.22	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-44.9	177.5	-177.8	-115.8	0	0	0	111.6	R583 A586 Q967 E968 W969 M973 L974 Q975 F1020	R583-W971 HydrophobicContact CB-CE3 3.7Å; R583-W971 HydrophobicContact CB-CZ3 3.8Å; R583-W971 HydrophobicContact CG-CD2 3.92Å; R583-W971 HydrophobicContact CG-CE3 3.46Å; R583-W971 VanDerWaalsContact CG-CE3 3.46Å; R583-W971 HydrophobicContact CG-CH2 4.41Å; R583-W971 HydrophobicContact CG-CZ3 3.74Å; A586-W971 HydrophobicContact CB-CH2 3.93Å; A586-W971 HydrophobicContact CB-CZ3 3.75Å; Q967-W971 WeakPolarHBondContact O-CB 3.29Å; Q967-W971 PolarHBondContact O-N 3Å; E968-W971 PolarHBondContact O-N 2.88Å; W969-W971 VanDerWaalsContact C-N 3.3Å; W969-W971 PolarHBondContact O-N 3.15Å; W971-M973 VanDerWaalsContact C-N 3.33Å; W971-M973 PolarHBondContact O-N 3.46Å; W971-L974 HydrophobicContact CE3-CD2 4.07Å; W971-L974 HydrophobicContact CZ3-CD2 3.71Å; W971-L974 PolarHBondContact O-N 2.97Å; W971-Q975 HydrophobicContact CD2-CG 4.45Å; W971-Q975 HydrophobicContact CZ2-CG 4.29Å; W971-Q975 WeakPolarHBondContact O-CG 3.22Å; W971-Q975 PolarHBondContact O-N 3.2Å; W971-F1020 HydrophobicContact CB-CE1 4.28Å; W971-F1020 HydrophobicContact CB-CZ 4.14Å; W971-F1020 HydrophobicContact CE3-CE2 4.37Å; W971-F1020 HydrophobicContact CE3-CZ 4.15Å
972	Q	95	Very high	93.5	Very high	64 Å²	64	43.3 Å²	43.3	30%	0.299	21%	0.21	S	C	.	.	H	α-helix	trans	-63.3	-38.4	176	-69.2	165.3	8.3	0	0	112.1	E968 W969 Q975 A976	E968-Q972 VanDerWaalsContact O-CG 3.3Å; E968-Q972 WeakPolarHBondContact O-CG 3.25Å; E968-Q972 PolarHBondContact O-N 2.82Å; E968-Q972 PolarHBondContact OE1-NE2 3.34Å; W969-Q972 PolarHBondContact O-N 3.22Å; Q972-Q975 PolarHBondContact O-N 2.76Å; Q972-A976 WeakPolarHBondContact O-CB 3.38Å; Q972-A976 PolarHBondContact O-N 3.07Å
973	M	98.5	Very high	94.3	Very high	5 Å²	5	41 Å²	41	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-60.2	-48.9	172.7	170.7	-168.8	-80.5	0	0	111.6	Y914 A950 V951 W954 W969 G970 W971 Q975 A976 I977 T1012 L1016	Y914-M973 HydrophobicContact CD1-CE 4.34Å; Y914-M973 HydrophobicContact CE1-CE 3.45Å; Y914-M973 VanDerWaalsContact CE1-CE 3.45Å; Y914-M973 HydrophobicContact CE1-CG 4.13Å; Y914-M973 HydrophobicContact CE2-CE 4.23Å; Y914-M973 WeakPolarHBondContact OH-CE 3.48Å; A950-M973 HydrophobicContact CB-CE 4.18Å; V951-M973 HydrophobicContact CB-CE 3.97Å; V951-M973 HydrophobicContact CB-SD 3.78Å; V951-M973 HydrophobicContact CG1-CE 4.4Å; V951-M973 HydrophobicContact CG1-SD 4.05Å; V951-M973 HydrophobicContact CG2-SD 4.42Å; W954-M973 HydrophobicContact CE3-CE 4.41Å; W954-M973 HydrophobicContact CH2-CE 3.73Å; W954-M973 HydrophobicContact CZ3-CB 4.21Å; W954-M973 HydrophobicContact CZ3-CE 3.49Å; W954-M973 VanDerWaalsContact CZ3-CE 3.49Å; W954-M973 HydrophobicContact CZ3-SD 4.27Å; W969-M973 PolarHBondContact O-N 3.11Å; G970-M973 WeakPolarHBondContact O-CB 3.48Å; G970-M973 PolarHBondContact O-N 3.31Å; W971-M973 VanDerWaalsContact C-N 3.33Å; W971-M973 PolarHBondContact O-N 3.46Å; M973-Q975 VanDerWaalsContact C-N 3.33Å; M973-Q975 PolarHBondContact O-N 2.79Å; M973-A976 WeakPolarHBondContact O-CB 3.1Å; M973-A976 PolarHBondContact O-N 2.89Å; M973-I977 HydrophobicContact CG-CD1 3.97Å; M973-I977 WeakPolarHBondContact O-CG1 3.39Å; M973-I977 PolarHBondContact O-N 3.44Å; M973-T1012 HydrophobicContact SD-CG2 4.39Å; M973-L1016 HydrophobicContact SD-CD1 4.43Å; M973-L1016 HydrophobicContact SD-CD2 4.18Å; M973-L1016 HydrophobicContact SD-CG 4.47Å
974	L	98.4	Very high	95.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-44.1	178.7	-179.1	67.7	0	0	0	111.4	A586 V587 G970 W971 A976 I977 E978 F1013 L1016	A586-L974 HydrophobicContact CB-CD2 3.83Å; V587-L974 HydrophobicContact CG2-CD1 4.34Å; V587-L974 HydrophobicContact CG2-CD2 3.66Å; G970-L974 PolarHBondContact O-N 2.65Å; W971-L974 HydrophobicContact CE3-CD2 4.07Å; W971-L974 HydrophobicContact CZ3-CD2 3.71Å; W971-L974 PolarHBondContact O-N 2.97Å; L974-A976 VanDerWaalsContact C-N 3.31Å; L974-A976 PolarHBondContact O-N 2.99Å; L974-I977 PolarHBondContact O-N 3.18Å; L974-E978 WeakPolarHBondContact O-CG 3.41Å; L974-E978 PolarHBondContact O-N 3.12Å; L974-F1013 HydrophobicContact CD1-CD1 4.4Å; L974-F1013 HydrophobicContact CD1-CE1 4.04Å; L974-L1016 HydrophobicContact CB-CD1 4.18Å; L974-L1016 HydrophobicContact CD1-CD1 4.07Å
975	Q	96.5	Very high	95.7	Very high	82 Å²	82	41.4 Å²	41.4	38%	0.383	21%	0.205	S	C	.	.	H	α-helix	trans	-60.2	-41.1	176.3	-69.4	179.2	-61.7	0	0	111.8	W971 Q972 M973 E978 N979	W971-Q975 HydrophobicContact CD2-CG 4.45Å; W971-Q975 HydrophobicContact CZ2-CG 4.29Å; W971-Q975 WeakPolarHBondContact O-CG 3.22Å; W971-Q975 PolarHBondContact O-N 3.2Å; Q972-Q975 PolarHBondContact O-N 2.76Å; M973-Q975 VanDerWaalsContact C-N 3.33Å; M973-Q975 PolarHBondContact O-N 2.79Å; Q975-E978 PolarHBondContact O-N 2.9Å; Q975-N979 VanDerWaalsContact O-CB 3.3Å; Q975-N979 WeakPolarHBondContact O-CB 3.33Å; Q975-N979 PolarHBondContact O-N 3.44Å; Q975-N979 PolarHBondContact O-ND2 2.73Å
976	A	98.4	Very high	96.3	Very high	7 Å²	7	38.2 Å²	38.2	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-42.3	175.5	0	0	0	0	0	112.2	T919 G920 L921 Q972 M973 L974 N979 H980	T919-A976 VanDerWaalsContact O-CB 3.31Å; T919-A976 WeakPolarHBondContact O-CB 3.16Å; G920-A976 WeakPolarHBondContact O-CB 3.37Å; L921-A976 HydrophobicContact CD2-CB 3.74Å; L921-A976 HydrophobicContact CG-CB 4.09Å; Q972-A976 WeakPolarHBondContact O-CB 3.38Å; Q972-A976 PolarHBondContact O-N 3.07Å; M973-A976 WeakPolarHBondContact O-CB 3.1Å; M973-A976 PolarHBondContact O-N 2.89Å; L974-A976 VanDerWaalsContact C-N 3.31Å; L974-A976 PolarHBondContact O-N 2.99Å; A976-N979 PolarHBondContact O-N 3.3Å; A976-H980 WeakPolarHBondContact O-CB 2.97Å; A976-H980 PolarHBondContact O-N 2.97Å
977	I	98.7	Very high	96.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-48.5	174.8	-68.5	168	0	0	0	110.4	L921 L946 M973 L974 N979 A981 K982 Y987 L1008 T1012 F1013	L921-I977 HydrophobicContact CD2-CG1 3.85Å; L946-I977 HydrophobicContact CD1-CG2 4.49Å; L946-I977 HydrophobicContact CD2-CG1 4.29Å; M973-I977 HydrophobicContact CG-CD1 3.97Å; M973-I977 WeakPolarHBondContact O-CG1 3.39Å; M973-I977 PolarHBondContact O-N 3.44Å; L974-I977 PolarHBondContact O-N 3.18Å; I977-N979 PolarHBondContact O-N 3.3Å; I977-A981 HydrophobicContact CG2-CB 4.44Å; I977-A981 WeakPolarHBondContact O-CA 3.34Å; I977-A981 WeakPolarHBondContact O-CB 3.5Å; I977-A981 PolarHBondContact O-N 3.4Å; I977-K982 PolarHBondContact O-N 3Å; I977-Y987 HydrophobicContact CG2-CD1 3.51Å; I977-Y987 HydrophobicContact CG2-CE1 3.78Å; I977-Y987 HydrophobicContact CG2-CG 4.24Å; I977-L1008 HydrophobicContact CD1-CD1 4.5Å; I977-T1012 HydrophobicContact CD1-CG2 4.04Å; I977-F1013 HydrophobicContact CG2-CE1 4.37Å; I977-F1013 HydrophobicContact CG2-CZ 4.45Å
978	E	97.9	Very high	96.9	Very high	48 Å²	48	37.7 Å²	37.7	22%	0.224	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-43.8	177.3	-75	-59.6	116.7	0	0	112.6	S590 L974 Q975 K982 Y987	S590-E978 VanDerWaalsContact CB-OE1 3.3Å; S590-E978 WeakPolarHBondContact CB-OE1 3.34Å; S590-E978 VanDerWaalsContact OG-CD 3.31Å; S590-E978 PolarHBondContact OG-OE1 3.36Å; L974-E978 WeakPolarHBondContact O-CG 3.41Å; L974-E978 PolarHBondContact O-N 3.12Å; Q975-E978 PolarHBondContact O-N 2.9Å; E978-K982 VanDerWaalsContact O-CB 3.23Å; E978-K982 WeakPolarHBondContact O-CB 3.49Å; E978-K982 WeakPolarHBondContact OE2-CD 3.37Å; E978-K982 IonicContact OE2-NZ 2.71Å; E978-K982 PolarHBondContact OE2-NZ 3.08Å; E978-Y987 VanDerWaalsContact OE1-CE1 3.25Å; E978-Y987 WeakPolarHBondContact OE1-CE1 3.28Å; E978-Y987 PolarHBondContact OE1-OH 3.01Å
979	N	96.9	Very high	97.4	Very high	120 Å²	120	34.5 Å²	34.5	64%	0.642	17%	0.174	S	C	*	.	H	α-helix	trans	-80.1	-27.6	-172.8	-68.9	-20.1	0	0	0	113.5	Q975 A976 I977	Q975-N979 VanDerWaalsContact O-CB 3.3Å; Q975-N979 WeakPolarHBondContact O-CB 3.33Å; Q975-N979 PolarHBondContact O-N 3.44Å; Q975-N979 PolarHBondContact O-ND2 2.73Å; A976-N979 PolarHBondContact O-N 3.3Å; I977-N979 PolarHBondContact O-N 3.3Å
980	H	98.1	Very high	97.4	Very high	42 Å²	42	32.3 Å²	32.3	19%	0.194	17%	0.166	C	C	.	.	H	α-helix	trans	-125.6	-15.7	-167	-62.7	-62.2	0	0	0	114.9	T919 L921 A976 I990 T998	T919-H980 HydrophobicContact CG2-CB 4.5Å; T919-H980 PolarHBondContact O-CD2 3.3Å; L921-H980 HydrophobicContact CD1-CB 3.96Å; A976-H980 WeakPolarHBondContact O-CB 2.97Å; A976-H980 PolarHBondContact O-N 2.97Å; H980-I990 WeakPolarHBondContact O-CD1 3.5Å; H980-T998 HydrophobicContact CB-CG2 3.85Å; H980-T998 WeakPolarHBondContact O-CB 3.32Å; H980-T998 PolarHBondContact O-OG1 3.42Å
981	A	98.1	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-14.9	179.9	0	0	0	0	0	114.5	L946 I977 T983 Y987 C988 I990	L946-A981 HydrophobicContact CD1-CB 3.78Å; L946-A981 HydrophobicContact CD2-CB 4.27Å; I977-A981 HydrophobicContact CG2-CB 4.44Å; I977-A981 WeakPolarHBondContact O-CA 3.34Å; I977-A981 WeakPolarHBondContact O-CB 3.5Å; I977-A981 PolarHBondContact O-N 3.4Å; A981-T983 PolarHBondContact O-N 3.12Å; A981-Y987 HydrophobicContact CB-CD1 4.31Å; A981-Y987 CarbonylContact O-C 3.58Å; A981-Y987 WeakPolarHBondContact O-CA 3.24Å; A981-C988 WeakPolarHBondContact CB-O 3.44Å; A981-C988 PolarHBondContact O-N 3.18Å; A981-I990 HydrophobicContact CB-CD1 3.99Å; A981-I990 HydrophobicContact CB-CG1 4.44Å
982	K	98.1	Very high	97.3	Very high	96 Å²	96	33.6 Å²	33.6	42%	0.417	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	130.7	-176.8	-164.5	172.8	-165.7	165	0	112.2	I977 E978 Y987	I977-K982 PolarHBondContact O-N 3Å; E978-K982 VanDerWaalsContact O-CB 3.23Å; E978-K982 WeakPolarHBondContact O-CB 3.49Å; E978-K982 WeakPolarHBondContact OE2-CD 3.37Å; E978-K982 IonicContact OE2-NZ 2.71Å; E978-K982 PolarHBondContact OE2-NZ 3.08Å; K982-Y987 HydrophobicContact CB-CD1 3.92Å; K982-Y987 HydrophobicContact CB-CE1 3.7Å; K982-Y987 HydrophobicContact CD-CE1 4.21Å; K982-Y987 HydrophobicContact CG-CD1 4.29Å; K982-Y987 HydrophobicContact CG-CE1 3.77Å
983	T	97.6	Very high	97.3	Very high	15 Å²	15	30.5 Å²	30.5	9%	0.092	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	171.4	168.5	84.8	0	0	0	0	109.5	H593 P610 A981 S985 G986 C988	H593-T983 PolarHBondContact CE1-O 3.43Å; H593-T983 PolarHBondContact NE2-O 3.16Å; P610-T983 HydrophobicContact CB-CG2 4.32Å; P610-T983 WeakPolarHBondContact CB-OG1 3.2Å; P610-T983 HydrophobicContact CG-CG2 4.34Å; P610-T983 PolarHBondContact O-OG1 3.37Å; A981-T983 PolarHBondContact O-N 3.12Å; T983-S985 PolarHBondContact O-N 3.36Å; T983-S985 VanDerWaalsContact O-N 3.11Å; T983-S985 PolarHBondContact OG1-N 3.19Å; T983-G986 PolarHBondContact N-O 2.77Å; T983-G986 PolarHBondContact O-N 3.38Å; T983-G986 PolarHBondContact OG1-N 2.74Å; T983-C988 HydrophobicContact CG2-CB 3.87Å
984	P	96.9	Very high	97	Very high	126 Å²	126	32.2 Å²	32.2	82%	0.818	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-26.3	174.7	-27.2	36.7	0	0	0	114.5	H593	H593-P984 PolarHBondContact CE1-O 2.84Å
985	S	95.3	Very high	96.8	Very high	10 Å²	10	35.4 Å²	35.4	7%	0.07	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	16.8	-172.1	-49.4	0	0	0	0	113.2	G597 F601 L608 N613 T983	G597-S985 VanDerWaalsContact CA-O 3.25Å; G597-S985 WeakPolarHBondContact CA-O 3.31Å; F601-S985 VanDerWaalsContact CE2-OG 3.27Å; F601-S985 WeakPolarHBondContact CE2-OG 3.43Å; L608-S985 VanDerWaalsContact CD2-O 3.25Å; L608-S985 WeakPolarHBondContact CD2-O 3.47Å; N613-S985 WeakPolarHBondContact OD1-CB 3.47Å; N613-S985 PolarHBondContact OD1-OG 2.6Å; T983-S985 PolarHBondContact O-N 3.36Å; T983-S985 VanDerWaalsContact O-N 3.11Å; T983-S985 PolarHBondContact OG1-N 3.19Å
986	G	97.5	Very high	96.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146	-137.2	178.1	0	0	0	0	0	112.2	H593 T983	H593-G986 PolarHBondContact NE2-N 3.2Å; H593-G986 PolarHBondContact NE2-O 3.23Å; T983-G986 PolarHBondContact N-O 2.77Å; T983-G986 PolarHBondContact O-N 3.38Å; T983-G986 PolarHBondContact OG1-N 2.74Å
987	Y	98.4	Very high	96.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	135	178.7	-57.3	-97.2	0	0	0	110.9	S590 H593 A594 P610 I977 E978 A981 K982 M1004 L1008 F1013	S590-Y987 VanDerWaalsContact CA-OH 3.3Å; S590-Y987 WeakPolarHBondContact CA-OH 3.34Å; S590-Y987 WeakPolarHBondContact CB-OH 3.49Å; S590-Y987 WeakPolarHBondContact O-CE2 2.94Å; H593-Y987 HydrophobicContact CB-CE2 4.43Å; H593-Y987 AromaticContact CD2-CE2 3.63Å; H593-Y987 AromaticContact CD2-CZ 3.79Å; A594-Y987 HydrophobicContact CB-CD2 3.89Å; A594-Y987 HydrophobicContact CB-CE2 3.96Å; P610-Y987 WeakPolarHBondContact CG-O 3.49Å; I977-Y987 HydrophobicContact CG2-CD1 3.51Å; I977-Y987 HydrophobicContact CG2-CE1 3.78Å; I977-Y987 HydrophobicContact CG2-CG 4.24Å; E978-Y987 VanDerWaalsContact OE1-CE1 3.25Å; E978-Y987 WeakPolarHBondContact OE1-CE1 3.28Å; E978-Y987 PolarHBondContact OE1-OH 3.01Å; A981-Y987 HydrophobicContact CB-CD1 4.31Å; A981-Y987 CarbonylContact O-C 3.58Å; A981-Y987 WeakPolarHBondContact O-CA 3.24Å; K982-Y987 HydrophobicContact CB-CD1 3.92Å; K982-Y987 HydrophobicContact CB-CE1 3.7Å; K982-Y987 HydrophobicContact CD-CE1 4.21Å; K982-Y987 HydrophobicContact CG-CD1 4.29Å; K982-Y987 HydrophobicContact CG-CE1 3.77Å; Y987-M1004 WeakPolarHBondContact O-CB 3.18Å; Y987-M1004 WeakPolarHBondContact O-CG 3.45Å; Y987-L1008 VanDerWaalsContact CB-CD2 3.49Å; Y987-L1008 HydrophobicContact CD2-CD2 3.9Å; Y987-L1008 HydrophobicContact CG-CD2 3.9Å; Y987-F1013 HydrophobicContact CD2-CE2 4.33Å; Y987-F1013 HydrophobicContact CD2-CZ 4.07Å; Y987-F1013 HydrophobicContact CE2-CE2 4.19Å; Y987-F1013 AromaticContact CE2-CZ 3.85Å; Y987-F1013 HydrophobicContact CE2-CZ 3.85Å
988	C	97.4	Very high	96.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-97.6	148.8	179.5	69	0	0	0	0	111.4	P610 V611 A981 T983 C1000	P610-C988 HydrophobicContact CG-CB 4.01Å; V611-C988 HydrophobicContact CG2-CB 4.29Å; A981-C988 WeakPolarHBondContact CB-O 3.44Å; A981-C988 PolarHBondContact O-N 3.18Å; T983-C988 HydrophobicContact CG2-CB 3.87Å; C988-C1000 HydrophobicContact CB-CB 3.48Å; C988-C1000 VanDerWaalsContact CB-CB 3.48Å; C988-C1000 WeakPolarHBondContact CB-SG 3.35Å; C988-C1000 WeakPolarHBondContact SG-CA 3.43Å; C988-C1000 WeakPolarHBondContact SG-CB 3.22Å; C988-C1000 CovalentContact SG-SG 2.03Å; C988-C1000 PolarHBondContact SG-SG 2.82Å
989	S	97.3	Very high	96.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-60.2	149.1	159.7	-72	0	0	0	0	110.4	S944 C1000 K1001 K1003	S944-S989 CarbonylContact O-C 3.49Å; S944-S989 WeakPolarHBondContact O-CA 3.49Å; S944-S989 WeakPolarHBondContact O-CB 3.39Å; S989-C1000 CarbonylContact O-C 3.57Å; S989-K1001 PolarHBondContact O-N 3.39Å; S989-K1003 PolarHBondContact N-O 3.04Å; S989-K1003 PolarHBondContact OG-O 2.91Å
990	I	97.2	Very high	96.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-102.5	134	-174.6	-55.8	-51.3	0	0	0	111.1	L921 Y943 S944 H980 A981 T998	L921-I990 HydrophobicContact CD1-CD1 4.5Å; L921-I990 HydrophobicContact CD1-CG1 3.6Å; Y943-I990 CarbonylContact C-O 3.52Å; Y943-I990 WeakPolarHBondContact CA-O 3.42Å; Y943-I990 WeakPolarHBondContact CB-O 3.38Å; S944-I990 PolarHBondContact N-O 2.81Å; S944-I990 PolarHBondContact O-N 2.93Å; H980-I990 WeakPolarHBondContact O-CD1 3.5Å; A981-I990 HydrophobicContact CB-CD1 3.99Å; A981-I990 HydrophobicContact CB-CG1 4.44Å; I990-T998 HydrophobicContact CD1-CG2 4.34Å; I990-T998 HydrophobicContact CG2-CG2 3.76Å
991	V	95.6	Very high	96	Very high	54 Å²	54	42.1 Å²	42.1	33%	0.327	23%	0.233	S	C	.	.	S	Bend	trans	-69.4	-45.5	178.9	176.4	0	0	0	0	112.3	Y943 Q999 K1001	Y943-V991 VanDerWaalsContact CA-O 3.28Å; Y943-V991 WeakPolarHBondContact CA-O 3.27Å; Y943-V991 WeakPolarHBondContact CB-O 2.96Å; Y943-V991 PolarHBondContact N-O 3.49Å; V991-Q999 HydrophobicContact CB-CB 4.08Å; V991-Q999 HydrophobicContact CG2-CB 4.06Å; V991-Q999 WeakPolarHBondContact CG2-O 3.49Å; V991-Q999 PolarHBondContact N-O 3.46Å; V991-K1001 HydrophobicContact CG2-CG 3.62Å
992	D	94.9	Very high	95.8	Very high	30 Å²	30	45.9 Å²	45.9	16%	0.16	26%	0.257	C	S	.	.			trans	-144.2	112.7	-179.4	-171.8	-14.1	0	0	0	110.8	V942 Y994 Q995	V942-D992 HydrophobicContact CG2-CB 3.93Å; V942-D992 VanDerWaalsContact CG2-CG 3.46Å; V942-D992 WeakPolarHBondContact CG2-OD1 3.34Å; D992-Y994 PolarHBondContact O-N 3.48Å; D992-Y994 WeakPolarHBondContact OD1-CA 3.41Å; D992-Y994 VanDerWaalsContact OD1-CB 3.32Å; D992-Y994 WeakPolarHBondContact OD1-CB 3.48Å; D992-Y994 WeakPolarHBondContact OD1-CD2 3.39Å; D992-Y994 PolarHBondContact OD1-N 2.87Å; D992-Q995 HydrophobicContact CB-CB 4.15Å; D992-Q995 PolarHBondContact O-N 2.87Å
993	V	94.7	Very high	95.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.4	178.1	-61.9	0	0	0	0	114	T917 T919 L921 P923 V942	T917-V993 HydrophobicContact CG2-CB 4.07Å; T917-V993 HydrophobicContact CG2-CG2 3.49Å; T917-V993 VanDerWaalsContact CG2-CG2 3.49Å; T919-V993 WeakPolarHBondContact CB-O 3.4Å; T919-V993 WeakPolarHBondContact CG2-O 3.45Å; T919-V993 PolarHBondContact N-O 3.29Å; T919-V993 PolarHBondContact OG1-O 3.46Å; L921-V993 HydrophobicContact CB-CG1 4.01Å; P923-V993 HydrophobicContact CB-CG2 3.96Å; P923-V993 HydrophobicContact CG-CG2 4.48Å; V942-V993 WeakPolarHBondContact O-CG2 3.34Å; V942-V993 PolarHBondContact O-N 2.97Å
994	Y	93	Very high	95.6	Very high	41 Å²	41	43.2 Å²	43.2	16%	0.161	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-5.9	175.3	-61.9	-79	0	0	0	114	M916 T917 R937 V942 D992	M916-Y994 WeakPolarHBondContact CE-OH 3.47Å; T917-Y994 HydrophobicContact CG2-CE1 4.18Å; R937-Y994 HydrophobicContact CG-CE2 4.45Å; V942-Y994 HydrophobicContact CB-CD2 4.12Å; V942-Y994 HydrophobicContact CB-CE2 4.26Å; V942-Y994 HydrophobicContact CG1-CD2 4.03Å; V942-Y994 HydrophobicContact CG1-CE2 3.88Å; D992-Y994 PolarHBondContact O-N 3.48Å; D992-Y994 WeakPolarHBondContact OD1-CA 3.41Å; D992-Y994 VanDerWaalsContact OD1-CB 3.32Å; D992-Y994 WeakPolarHBondContact OD1-CB 3.48Å; D992-Y994 WeakPolarHBondContact OD1-CD2 3.39Å; D992-Y994 PolarHBondContact OD1-N 2.87Å
995	Q	93.6	Very high	95.6	Very high	69 Å²	69	38.3 Å²	38.3	32%	0.322	21%	0.211	S	C	.	.			trans	-102.4	126.9	-179.3	-170.8	-177.3	-31	0	0	110.9	D992 P997 T998 Q999	D992-Q995 HydrophobicContact CB-CB 4.15Å; D992-Q995 PolarHBondContact O-N 2.87Å; Q995-P997 CarbonylContact O-C 3.38Å; Q995-T998 WeakPolarHBondContact O-CG2 3.47Å; Q995-Q999 VanDerWaalsContact NE2-NE2 3.14Å
996	V	94	Very high	95.6	Very high	84 Å²	84	37.9 Å²	37.9	51%	0.509	21%	0.208	S	C	.	.	S	Bend	trans	-127	123.2	172	-178.6	0	0	0	0	108	P918 T919	P918-V996 HydrophobicContact CB-CG2 3.99Å; T919-V996 HydrophobicContact CG2-CG2 3.79Å
997	P	95.3	Very high	95.6	Very high	107 Å²	107	38.4 Å²	38.4	70%	0.695	21%	0.21	S	C	*	.	S	Bend	cis	-66.9	150.9	-0.7	30.6	-35.8	0	0	0	112.3	Q995	Q995-P997 CarbonylContact O-C 3.38Å
998	T	96.2	Very high	95.6	Very high	34 Å²	34	38.5 Å²	38.5	21%	0.209	21%	0.211	C	C	.	.			trans	-70.1	154.5	-179.8	41.7	0	0	0	0	112	T919 H980 I990 Q995	T919-T998 HydrophobicContact CG2-CG2 3.42Å; T919-T998 VanDerWaalsContact CG2-CG2 3.42Å; H980-T998 HydrophobicContact CB-CG2 3.85Å; H980-T998 WeakPolarHBondContact O-CB 3.32Å; H980-T998 PolarHBondContact O-OG1 3.42Å; I990-T998 HydrophobicContact CD1-CG2 4.34Å; I990-T998 HydrophobicContact CG2-CG2 3.76Å; Q995-T998 WeakPolarHBondContact O-CG2 3.47Å
999	Q	96.2	Very high	95.6	Very high	102 Å²	102	38.5 Å²	38.5	48%	0.477	21%	0.211	S	C	.	.			trans	-107.5	132.8	168.2	-69.5	179.4	1.2	0	0	109.9	V991 Q995	V991-Q999 HydrophobicContact CB-CB 4.08Å; V991-Q999 HydrophobicContact CG2-CB 4.06Å; V991-Q999 WeakPolarHBondContact CG2-O 3.49Å; V991-Q999 PolarHBondContact N-O 3.46Å; Q995-Q999 VanDerWaalsContact NE2-NE2 3.14Å
1000	C	95.4	Very high	95.6	Very high	53 Å²	53	38.4 Å²	38.4	36%	0.358	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-80.4	137.7	177.9	-74.7	0	0	0	0	111.9	V611 C988 S989	V611-C1000 HydrophobicContact CG2-CB 3.54Å; C988-C1000 HydrophobicContact CB-CB 3.48Å; C988-C1000 VanDerWaalsContact CB-CB 3.48Å; C988-C1000 WeakPolarHBondContact CB-SG 3.35Å; C988-C1000 WeakPolarHBondContact SG-CA 3.43Å; C988-C1000 WeakPolarHBondContact SG-CB 3.22Å; C988-C1000 CovalentContact SG-SG 2.03Å; C988-C1000 PolarHBondContact SG-SG 2.82Å; S989-C1000 CarbonylContact O-C 3.57Å
1001	K	94.2	Very high	95.7	Very high	62 Å²	62	38.7 Å²	38.7	27%	0.27	21%	0.211	S	C	.	.			trans	-79.1	146.4	152	-67.4	-173.9	172.2	-166.8	0	108.6	Y943 S989 V991 K1003	Y943-K1001 VanDerWaalsContact CG-NZ 3.33Å; S989-K1001 PolarHBondContact O-N 3.39Å; V991-K1001 HydrophobicContact CG2-CG 3.62Å; K1001-K1003 PolarHBondContact O-N 2.78Å
1002	P	92.6	Very high	95.8	Very high	78 Å²	78	36.2 Å²	36.2	51%	0.506	20%	0.196	S	C	.	.	S	Bend	trans	-78.2	52.3	-176.8	34.2	-37.5	0	0	0	112.2	N609 I616	N609-P1002 WeakPolarHBondContact ND2-CB 3.39Å; N609-P1002 PolarHBondContact ND2-O 3.48Å; N609-P1002 WeakPolarHBondContact OD1-CA 3.48Å; N609-P1002 WeakPolarHBondContact OD1-CB 3.45Å; N609-P1002 PolarHBondContact OD1-O 3.32Å; I616-P1002 WeakPolarHBondContact CD1-O 3.35Å
1003	K	95.4	Very high	96	Very high	53 Å²	53	34.8 Å²	34.8	23%	0.23	19%	0.188	C	C	.	.			trans	-154.5	130.6	-176.9	-172.2	174.8	-174.5	-161.5	0	112.2	E607 I616 S989 K1001 E1005	E607-K1003 VanDerWaalsContact CD-NZ 3.32Å; E607-K1003 WeakPolarHBondContact OE1-CE 3.46Å; E607-K1003 IonicContact OE1-NZ 3.66Å; E607-K1003 PolarHBondContact OE1-NZ 3.47Å; E607-K1003 WeakPolarHBondContact OE2-CE 3.43Å; E607-K1003 IonicContact OE2-NZ 3.07Å; E607-K1003 PolarHBondContact OE2-NZ 2.92Å; I616-K1003 HydrophobicContact CD1-CB 4.08Å; I616-K1003 HydrophobicContact CD1-CG 3.9Å; S989-K1003 PolarHBondContact N-O 3.04Å; S989-K1003 PolarHBondContact OG-O 2.91Å; K1001-K1003 PolarHBondContact O-N 2.78Å; K1003-E1005 VanDerWaalsContact CD-OE1 3.28Å; K1003-E1005 WeakPolarHBondContact CD-OE1 3.4Å; K1003-E1005 VanDerWaalsContact CE-CD 3.49Å; K1003-E1005 WeakPolarHBondContact CE-OE1 3.39Å; K1003-E1005 WeakPolarHBondContact CE-OE2 3.39Å; K1003-E1005 IonicContact NZ-OE1 2.89Å; K1003-E1005 PolarHBondContact NZ-OE1 2.86Å; K1003-E1005 IonicContact NZ-OE2 2.6Å; K1003-E1005 PolarHBondContact NZ-OE2 3.07Å
1004	M	97.4	Very high	96.1	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-104.8	112.4	162	-173.2	170.8	77.2	0	0	107.4	A594 L608 P610 Y987 L1008 L1009	A594-M1004 HydrophobicContact CB-CE 4.2Å; A594-M1004 HydrophobicContact CB-SD 3.88Å; L608-M1004 HydrophobicContact CB-CB 4.34Å; L608-M1004 HydrophobicContact CB-CE 3.93Å; L608-M1004 HydrophobicContact CD2-CE 3.64Å; L608-M1004 HydrophobicContact CD2-SD 4.31Å; L608-M1004 HydrophobicContact CG-CE 4.37Å; L608-M1004 PolarHBondContact O-N 3.42Å; P610-M1004 HydrophobicContact CG-CB 4.07Å; Y987-M1004 WeakPolarHBondContact O-CB 3.18Å; Y987-M1004 WeakPolarHBondContact O-CG 3.45Å; M1004-L1008 HydrophobicContact CG-CD2 4.03Å; M1004-L1008 HydrophobicContact SD-CD2 4.26Å; M1004-L1009 HydrophobicContact CE-CD1 3.45Å; M1004-L1009 VanDerWaalsContact CE-CD1 3.45Å; M1004-L1009 HydrophobicContact SD-CD1 4.04Å
1005	E	96	Very high	96.4	Very high	23 Å²	23	32.8 Å²	32.8	11%	0.107	18%	0.181	C	C	.	.			trans	-67.1	139.2	177.5	-58.7	-76.4	166.5	0	0	110	L945 K1003 F1007 L1008	L945-E1005 HydrophobicContact CB-CG 4.24Å; K1003-E1005 VanDerWaalsContact CD-OE1 3.28Å; K1003-E1005 WeakPolarHBondContact CD-OE1 3.4Å; K1003-E1005 VanDerWaalsContact CE-CD 3.49Å; K1003-E1005 WeakPolarHBondContact CE-OE1 3.39Å; K1003-E1005 WeakPolarHBondContact CE-OE2 3.39Å; K1003-E1005 IonicContact NZ-OE1 2.89Å; K1003-E1005 PolarHBondContact NZ-OE1 2.86Å; K1003-E1005 IonicContact NZ-OE2 2.6Å; K1003-E1005 PolarHBondContact NZ-OE2 3.07Å; E1005-F1007 HydrophobicContact CB-CD1 3.81Å; E1005-F1007 HydrophobicContact CB-CD2 4.04Å; E1005-F1007 HydrophobicContact CB-CE1 3.44Å; E1005-F1007 VanDerWaalsContact CB-CE1 3.44Å; E1005-F1007 HydrophobicContact CB-CE2 3.68Å; E1005-F1007 HydrophobicContact CB-CG 4.08Å; E1005-F1007 HydrophobicContact CB-CZ 3.38Å; E1005-F1007 HydrophobicContact CG-CE1 3.67Å; E1005-F1007 HydrophobicContact CG-CE2 4.08Å; E1005-F1007 HydrophobicContact CG-CZ 3.42Å; E1005-F1007 VanDerWaalsContact CG-CZ 3.42Å; E1005-F1007 PolarHBondContact O-N 3.36Å; E1005-L1008 WeakPolarHBondContact O-CB 3.43Å; E1005-L1008 PolarHBondContact O-N 3.02Å; E1005-L1008 VanDerWaalsContact O-N 3.12Å
1006	S	96.2	Very high	96.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.7	-179.1	64.9	0	0	0	0	112.6	E607 T624 E627 R684 L1008 L1009 S1010	E607-S1006 PolarHBondContact OE1-N 3.32Å; T624-S1006 WeakPolarHBondContact OG1-CB 3.41Å; E627-S1006 VanDerWaalsContact OE2-CB 3.25Å; E627-S1006 WeakPolarHBondContact OE2-CB 3.3Å; E627-S1006 PolarHBondContact OE2-OG 2.9Å; R684-S1006 PolarHBondContact NH2-OG 3.5Å; S1006-L1008 PolarHBondContact O-N 2.94Å; S1006-L1009 PolarHBondContact O-N 2.82Å; S1006-S1010 PolarHBondContact O-N 3.47Å; S1006-S1010 VanDerWaalsContact O-N 3.15Å; S1006-S1010 PolarHBondContact O-OG 3.33Å
1007	F	97.1	Very high	96.6	Very high	12 Å²	12	26.3 Å²	26.3	5%	0.053	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-17	178.7	61.1	-114.5	0	0	0	114.5	L945 R947 E1005 L1009 S1010 E1011 T1012	L945-F1007 HydrophobicContact CB-CZ 3.87Å; L945-F1007 WeakPolarHBondContact O-CE2 3.26Å; L945-F1007 WeakPolarHBondContact O-CZ 3.49Å; R947-F1007 HydrophobicContact CB-CE2 4.44Å; R947-F1007 HydrophobicContact CG-CE2 4.09Å; R947-F1007 HydrophobicContact CG-CZ 3.96Å; E1005-F1007 HydrophobicContact CB-CD1 3.81Å; E1005-F1007 HydrophobicContact CB-CD2 4.04Å; E1005-F1007 HydrophobicContact CB-CE1 3.44Å; E1005-F1007 VanDerWaalsContact CB-CE1 3.44Å; E1005-F1007 HydrophobicContact CB-CE2 3.68Å; E1005-F1007 HydrophobicContact CB-CG 4.08Å; E1005-F1007 HydrophobicContact CB-CZ 3.38Å; E1005-F1007 HydrophobicContact CG-CE1 3.67Å; E1005-F1007 HydrophobicContact CG-CE2 4.08Å; E1005-F1007 HydrophobicContact CG-CZ 3.42Å; E1005-F1007 VanDerWaalsContact CG-CZ 3.42Å; E1005-F1007 PolarHBondContact O-N 3.36Å; F1007-L1009 VanDerWaalsContact C-N 3.29Å; F1007-L1009 PolarHBondContact O-N 3.27Å; F1007-S1010 VanDerWaalsContact CA-OG 3.29Å; F1007-S1010 WeakPolarHBondContact CA-OG 3.35Å; F1007-E1011 HydrophobicContact CB-CB 4.24Å; F1007-E1011 HydrophobicContact CB-CG 3.94Å; F1007-E1011 WeakPolarHBondContact CB-OE1 3.37Å; F1007-E1011 CarbonylContact O-C 3.55Å; F1007-E1011 WeakPolarHBondContact O-CA 3.33Å; F1007-E1011 VanDerWaalsContact O-CB 3.28Å; F1007-E1011 WeakPolarHBondContact O-CB 3.49Å; F1007-E1011 PolarHBondContact O-N 2.99Å; F1007-T1012 PolarHBondContact O-N 3.29Å
1008	L	98.4	Very high	96.5	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	11%	0.111	C	C	.	.	I	π-helix	trans	-60.7	-44	171.5	179.3	66.4	0	0	0	110.6	L946 I977 Y987 M1004 E1005 S1006 T1012 F1013	L946-L1008 HydrophobicContact CB-CD1 3.98Å; L946-L1008 HydrophobicContact CD1-CD1 4.04Å; L946-L1008 HydrophobicContact CD1-CD2 4.12Å; I977-L1008 HydrophobicContact CD1-CD1 4.5Å; Y987-L1008 VanDerWaalsContact CB-CD2 3.49Å; Y987-L1008 HydrophobicContact CD2-CD2 3.9Å; Y987-L1008 HydrophobicContact CG-CD2 3.9Å; M1004-L1008 HydrophobicContact CG-CD2 4.03Å; M1004-L1008 HydrophobicContact SD-CD2 4.26Å; E1005-L1008 WeakPolarHBondContact O-CB 3.43Å; E1005-L1008 PolarHBondContact O-N 3.02Å; E1005-L1008 VanDerWaalsContact O-N 3.12Å; S1006-L1008 PolarHBondContact O-N 2.94Å; L1008-T1012 HydrophobicContact CD1-CG2 4.14Å; L1008-F1013 HydrophobicContact CD1-CE1 4.16Å; L1008-F1013 HydrophobicContact CD1-CE2 4.24Å; L1008-F1013 HydrophobicContact CD1-CZ 3.96Å; L1008-F1013 HydrophobicContact CD2-CE2 4.17Å; L1008-F1013 HydrophobicContact CD2-CZ 4.22Å; L1008-F1013 HydrophobicContact CG-CD2 4.28Å; L1008-F1013 HydrophobicContact CG-CE2 3.82Å; L1008-F1013 HydrophobicContact CG-CZ 4Å; L1008-F1013 WeakPolarHBondContact O-CB 3.34Å; L1008-F1013 VanDerWaalsContact O-CD2 3.29Å; L1008-F1013 WeakPolarHBondContact O-CD2 3.46Å; L1008-F1013 WeakPolarHBondContact O-CG 3.41Å; L1008-F1013 PolarHBondContact O-N 3.32Å
1009	L	97.5	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-78.8	-47.9	177.9	-76.4	93.3	0	0	0	111.8	F591 A594 W595 S628 T631 M1004 S1006 F1007	F591-L1009 HydrophobicContact CD2-CB 4.19Å; F591-L1009 HydrophobicContact CD2-CD2 4.28Å; F591-L1009 HydrophobicContact CD2-CG 4.26Å; F591-L1009 HydrophobicContact CE2-CB 3.78Å; F591-L1009 HydrophobicContact CE2-CD2 3.86Å; F591-L1009 HydrophobicContact CE2-CG 4.1Å; F591-L1009 HydrophobicContact CZ-CD2 4.1Å; A594-L1009 HydrophobicContact CB-CD1 3.95Å; A594-L1009 HydrophobicContact CB-CD2 4.19Å; A594-L1009 HydrophobicContact CB-CG 4.08Å; W595-L1009 HydrophobicContact CB-CD2 4.26Å; W595-L1009 HydrophobicContact CE3-CD2 3.69Å; W595-L1009 HydrophobicContact CZ3-CD2 4.49Å; S628-L1009 WeakPolarHBondContact OG-CB 3.46Å; T631-L1009 WeakPolarHBondContact CG2-O 3.23Å; T631-L1009 PolarHBondContact OG1-O 3.26Å; M1004-L1009 HydrophobicContact CE-CD1 3.45Å; M1004-L1009 VanDerWaalsContact CE-CD1 3.45Å; M1004-L1009 HydrophobicContact SD-CD1 4.04Å; S1006-L1009 PolarHBondContact O-N 2.82Å; F1007-L1009 VanDerWaalsContact C-N 3.29Å; F1007-L1009 PolarHBondContact O-N 3.27Å
1010	S	97.2	Very high	96.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.079	C	C	.	.	I	π-helix	trans	-77.5	-23.5	-173.2	57.1	0	0	0	0	113.4	E627 T631 S1006 F1007 K1014	E627-S1010 WeakPolarHBondContact O-CB 3.42Å; T631-S1010 WeakPolarHBondContact OG1-CA 3.24Å; T631-S1010 PolarHBondContact OG1-O 3.24Å; S1006-S1010 PolarHBondContact O-N 3.47Å; S1006-S1010 VanDerWaalsContact O-N 3.15Å; S1006-S1010 PolarHBondContact O-OG 3.33Å; F1007-S1010 VanDerWaalsContact CA-OG 3.29Å; F1007-S1010 WeakPolarHBondContact CA-OG 3.35Å; S1010-K1014 WeakPolarHBondContact O-CB 3.3Å; S1010-K1014 WeakPolarHBondContact O-CD 3.46Å; S1010-K1014 WeakPolarHBondContact O-CE 3.32Å; S1010-K1014 PolarHBondContact O-NZ 2.95Å
1011	E	98.5	Very high	95.2	Very high	6 Å²	6	13 Å²	13	3%	0.028	7%	0.065	C	C	.	.	I	π-helix	trans	-127.6	-61.3	-172.4	-52.6	-168.3	-106.9	0	0	113.6	P948 F1007 F1013 K1014 Y1015 E1037 A1038	P948-E1011 HydrophobicContact CB-CB 3.61Å; P948-E1011 HydrophobicContact CG-CB 3.7Å; P948-E1011 HydrophobicContact CG-CG 4.39Å; P948-E1011 WeakPolarHBondContact CG-OE2 3.34Å; F1007-E1011 HydrophobicContact CB-CB 4.24Å; F1007-E1011 HydrophobicContact CB-CG 3.94Å; F1007-E1011 WeakPolarHBondContact CB-OE1 3.37Å; F1007-E1011 CarbonylContact O-C 3.55Å; F1007-E1011 WeakPolarHBondContact O-CA 3.33Å; F1007-E1011 VanDerWaalsContact O-CB 3.28Å; F1007-E1011 WeakPolarHBondContact O-CB 3.49Å; F1007-E1011 PolarHBondContact O-N 2.99Å; E1011-F1013 PolarHBondContact O-N 2.73Å; E1011-K1014 CarbonylContact O-C 3.55Å; E1011-K1014 WeakPolarHBondContact O-CA 3.27Å; E1011-K1014 WeakPolarHBondContact O-CB 3.46Å; E1011-K1014 PolarHBondContact O-N 3.09Å; E1011-Y1015 HydrophobicContact CB-CD2 4.49Å; E1011-Y1015 WeakPolarHBondContact O-CD2 3.43Å; E1011-Y1015 PolarHBondContact O-N 3.41Å; E1011-E1037 WeakPolarHBondContact CG-O 3.36Å; E1011-E1037 VanDerWaalsContact OE2-C 3.3Å; E1011-E1037 WeakPolarHBondContact OE2-CA 3.21Å; E1011-A1038 HydrophobicContact CB-CB 4.01Å; E1011-A1038 HydrophobicContact CG-CB 3.77Å
1012	T	98.7	Very high	94.1	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.073	C	C	.	.	I	π-helix	trans	-60.5	-49.1	-172.4	-61.7	0	0	0	0	110.9	L946 P948 V951 M973 I977 F1007 L1008 L1016	L946-T1012 PolarHBondContact O-OG1 2.89Å; P948-T1012 WeakPolarHBondContact CA-OG1 3.04Å; V951-T1012 HydrophobicContact CG1-CG2 4.49Å; M973-T1012 HydrophobicContact SD-CG2 4.39Å; I977-T1012 HydrophobicContact CD1-CG2 4.04Å; F1007-T1012 PolarHBondContact O-N 3.29Å; L1008-T1012 HydrophobicContact CD1-CG2 4.14Å; T1012-L1016 HydrophobicContact CG2-CD1 4.25Å; T1012-L1016 WeakPolarHBondContact O-CB 3.47Å; T1012-L1016 VanDerWaalsContact O-CG 3.28Å; T1012-L1016 WeakPolarHBondContact O-CG 3.29Å; T1012-L1016 PolarHBondContact O-N 3.02Å
1013	F	98.3	Very high	92.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68.1	-33.6	173.9	-68.2	-32.4	0	0	0	112.9	V587 F591 A594 M635 L974 I977 Y987 L1008 E1011 L1016 Y1017	V587-F1013 HydrophobicContact CG1-CB 4Å; V587-F1013 HydrophobicContact CG1-CD1 4.4Å; V587-F1013 HydrophobicContact CG1-CG 4.49Å; V587-F1013 WeakPolarHBondContact CG1-O 3.2Å; F591-F1013 HydrophobicContact CB-CB 4.49Å; F591-F1013 HydrophobicContact CB-CD2 3.98Å; F591-F1013 HydrophobicContact CB-CG 4.45Å; F591-F1013 HydrophobicContact CD2-CB 4.34Å; F591-F1013 HydrophobicContact CD2-CD2 4.16Å; A594-F1013 HydrophobicContact CB-CE2 4.26Å; M635-F1013 HydrophobicContact CE-CB 3.88Å; L974-F1013 HydrophobicContact CD1-CD1 4.4Å; L974-F1013 HydrophobicContact CD1-CE1 4.04Å; I977-F1013 HydrophobicContact CG2-CE1 4.37Å; I977-F1013 HydrophobicContact CG2-CZ 4.45Å; Y987-F1013 HydrophobicContact CD2-CE2 4.33Å; Y987-F1013 HydrophobicContact CD2-CZ 4.07Å; Y987-F1013 HydrophobicContact CE2-CE2 4.19Å; Y987-F1013 AromaticContact CE2-CZ 3.85Å; Y987-F1013 HydrophobicContact CE2-CZ 3.85Å; L1008-F1013 HydrophobicContact CD1-CE1 4.16Å; L1008-F1013 HydrophobicContact CD1-CE2 4.24Å; L1008-F1013 HydrophobicContact CD1-CZ 3.96Å; L1008-F1013 HydrophobicContact CD2-CE2 4.17Å; L1008-F1013 HydrophobicContact CD2-CZ 4.22Å; L1008-F1013 HydrophobicContact CG-CD2 4.28Å; L1008-F1013 HydrophobicContact CG-CE2 3.82Å; L1008-F1013 HydrophobicContact CG-CZ 4Å; L1008-F1013 WeakPolarHBondContact O-CB 3.34Å; L1008-F1013 VanDerWaalsContact O-CD2 3.29Å; L1008-F1013 WeakPolarHBondContact O-CD2 3.46Å; L1008-F1013 WeakPolarHBondContact O-CG 3.41Å; L1008-F1013 PolarHBondContact O-N 3.32Å; E1011-F1013 PolarHBondContact O-N 2.73Å; F1013-L1016 HydrophobicContact CD1-CD1 4.19Å; F1013-Y1017 WeakPolarHBondContact O-CB 3.4Å; F1013-Y1017 PolarHBondContact O-N 3.38Å
1014	K	97.1	Very high	91.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.9	-50.2	175.9	-177.2	-169.6	-70.8	157	0	111.4	D630 T631 I634 S1010 E1011 Y1017 L1018 A1038	D630-K1014 WeakPolarHBondContact OD1-CE 3.45Å; D630-K1014 IonicContact OD1-NZ 3.55Å; D630-K1014 PolarHBondContact OD1-NZ 2.92Å; D630-K1014 IonicContact OD2-NZ 2.83Å; D630-K1014 PolarHBondContact OD2-NZ 2.98Å; T631-K1014 HydrophobicContact CG2-CB 4.34Å; T631-K1014 WeakPolarHBondContact OG1-CE 3.35Å; I634-K1014 HydrophobicContact CD1-CD 3.84Å; I634-K1014 HydrophobicContact CD1-CG 4.01Å; S1010-K1014 WeakPolarHBondContact O-CB 3.3Å; S1010-K1014 WeakPolarHBondContact O-CD 3.46Å; S1010-K1014 WeakPolarHBondContact O-CE 3.32Å; S1010-K1014 PolarHBondContact O-NZ 2.95Å; E1011-K1014 CarbonylContact O-C 3.55Å; E1011-K1014 WeakPolarHBondContact O-CA 3.27Å; E1011-K1014 WeakPolarHBondContact O-CB 3.46Å; E1011-K1014 PolarHBondContact O-N 3.09Å; K1014-Y1017 WeakPolarHBondContact O-CB 3.42Å; K1014-Y1017 PolarHBondContact O-N 3.44Å; K1014-L1018 HydrophobicContact CG-CD1 4Å; K1014-L1018 WeakPolarHBondContact O-CB 3.26Å; K1014-L1018 VanDerWaalsContact O-CG 3.31Å; K1014-L1018 WeakPolarHBondContact O-CG 3.29Å; K1014-L1018 PolarHBondContact O-N 2.89Å; K1014-A1038 HydrophobicContact CD-CB 4.01Å; K1014-A1038 VanDerWaalsContact CD-O 3.26Å; K1014-A1038 WeakPolarHBondContact CD-O 3.37Å; K1014-A1038 PolarHBondContact NZ-O 2.81Å
1015	Y	98.6	Very high	89.5	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.3	-37.8	178.4	-77.4	-57.3	0	0	0	112.4	P948 E952 F955 E1011 Y1017 L1018 L1019 F1034 A1038	P948-Y1015 HydrophobicContact CB-CD2 3.97Å; P948-Y1015 HydrophobicContact CB-CE2 4.31Å; E952-Y1015 HydrophobicContact CB-CD1 4.38Å; E952-Y1015 HydrophobicContact CB-CD2 3.93Å; E952-Y1015 HydrophobicContact CB-CE1 4.21Å; E952-Y1015 HydrophobicContact CB-CE2 3.69Å; E952-Y1015 HydrophobicContact CB-CG 4.27Å; E952-Y1015 HydrophobicContact CG-CD1 4.49Å; E952-Y1015 HydrophobicContact CG-CE1 3.89Å; E952-Y1015 HydrophobicContact CG-CE2 3.9Å; E952-Y1015 PolarHBondContact OE1-OH 3.34Å; F955-Y1015 HydrophobicContact CB-CD1 4.16Å; F955-Y1015 AromaticContact CD1-CD1 3.79Å; F955-Y1015 HydrophobicContact CD1-CD1 3.79Å; F955-Y1015 AromaticContact CD1-CE1 3.85Å; F955-Y1015 HydrophobicContact CD1-CE1 3.85Å; F955-Y1015 HydrophobicContact CE1-CD1 4.42Å; F955-Y1015 HydrophobicContact CE1-CE1 4.21Å; F955-Y1015 HydrophobicContact CG-CD1 4.01Å; E1011-Y1015 HydrophobicContact CB-CD2 4.49Å; E1011-Y1015 WeakPolarHBondContact O-CD2 3.43Å; E1011-Y1015 PolarHBondContact O-N 3.41Å; Y1015-Y1017 VanDerWaalsContact C-N 3.34Å; Y1015-Y1017 PolarHBondContact O-N 3.41Å; Y1015-L1018 PolarHBondContact O-N 2.89Å; Y1015-L1019 WeakPolarHBondContact O-CB 3.43Å; Y1015-L1019 PolarHBondContact O-N 2.92Å; Y1015-F1034 HydrophobicContact CE1-CD1 4.28Å; Y1015-A1038 HydrophobicContact CD2-CB 4.14Å; Y1015-A1038 HydrophobicContact CE1-CB 4.42Å; Y1015-A1038 HydrophobicContact CE2-CB 3.36Å
1016	L	98.4	Very high	88.2	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.5	-45.3	171.5	-75.8	168.4	0	0	0	111.3	V587 V951 G970 M973 L974 T1012 F1013 L1018 L1019 F1020	V587-L1016 HydrophobicContact CG1-CB 4.15Å; V587-L1016 HydrophobicContact CG2-CB 3.68Å; V951-L1016 HydrophobicContact CG2-CD2 3.76Å; V951-L1016 HydrophobicContact CG2-CG 3.93Å; G970-L1016 WeakPolarHBondContact O-CD2 3.48Å; M973-L1016 HydrophobicContact SD-CD1 4.43Å; M973-L1016 HydrophobicContact SD-CD2 4.18Å; M973-L1016 HydrophobicContact SD-CG 4.47Å; L974-L1016 HydrophobicContact CB-CD1 4.18Å; L974-L1016 HydrophobicContact CD1-CD1 4.07Å; T1012-L1016 HydrophobicContact CG2-CD1 4.25Å; T1012-L1016 WeakPolarHBondContact O-CB 3.47Å; T1012-L1016 VanDerWaalsContact O-CG 3.28Å; T1012-L1016 WeakPolarHBondContact O-CG 3.29Å; T1012-L1016 PolarHBondContact O-N 3.02Å; F1013-L1016 HydrophobicContact CD1-CD1 4.19Å; L1016-L1018 PolarHBondContact O-N 3.32Å; L1016-L1019 PolarHBondContact O-N 3.2Å; L1016-F1020 HydrophobicContact CB-CE2 4.23Å; L1016-F1020 HydrophobicContact CD2-CE2 4.2Å; L1016-F1020 HydrophobicContact CD2-CZ 4.14Å; L1016-F1020 WeakPolarHBondContact O-CD2 3.34Å; L1016-F1020 VanDerWaalsContact O-CG 3.29Å; L1016-F1020 WeakPolarHBondContact O-CG 3.34Å; L1016-F1020 PolarHBondContact O-N 3.25Å; L1016-F1020 VanDerWaalsContact O-N 3.09Å
1017	Y	93.6	Very high	87.5	Confident	17 Å²	17	13.6 Å²	13.6	7%	0.067	7%	0.074	C	C	.	.	H	α-helix	trans	-62.4	-42.1	177.8	-173.2	-91.4	0	0	0	112.5	Q584 V588 I634 M635 F1013 K1014 Y1015 F1020 D1021 L1026	Q584-Y1017 HydrophobicContact CB-CD2 3.97Å; Q584-Y1017 HydrophobicContact CB-CE2 3.8Å; Q584-Y1017 HydrophobicContact CG-CD2 4.15Å; Q584-Y1017 HydrophobicContact CG-CE2 4.16Å; Q584-Y1017 PolarHBondContact NE2-O 2.64Å; V588-Y1017 HydrophobicContact CG2-CD2 3.85Å; V588-Y1017 HydrophobicContact CG2-CE2 3.53Å; I634-Y1017 HydrophobicContact CG2-CD1 4.1Å; I634-Y1017 HydrophobicContact CG2-CE1 4.38Å; M635-Y1017 HydrophobicContact CB-CD2 4.46Å; M635-Y1017 HydrophobicContact CB-CE2 4.2Å; M635-Y1017 HydrophobicContact CE-CD2 4.49Å; M635-Y1017 HydrophobicContact CE-CG 4.46Å; M635-Y1017 HydrophobicContact CG-CD1 4.23Å; M635-Y1017 HydrophobicContact CG-CD2 3.87Å; M635-Y1017 HydrophobicContact CG-CE1 4.47Å; M635-Y1017 HydrophobicContact CG-CE2 4.12Å; M635-Y1017 HydrophobicContact CG-CG 3.92Å; M635-Y1017 PolarHBondContact O-OH 2.03Å; M635-Y1017 HydrophobicContact SD-CD2 4.49Å; F1013-Y1017 WeakPolarHBondContact O-CB 3.4Å; F1013-Y1017 PolarHBondContact O-N 3.38Å; K1014-Y1017 WeakPolarHBondContact O-CB 3.42Å; K1014-Y1017 PolarHBondContact O-N 3.44Å; Y1015-Y1017 VanDerWaalsContact C-N 3.34Å; Y1015-Y1017 PolarHBondContact O-N 3.41Å; Y1017-F1020 PolarHBondContact O-N 3.01Å; Y1017-D1021 PolarHBondContact O-N 3.17Å; Y1017-L1026 HydrophobicContact CD1-CD2 3.9Å; Y1017-L1026 HydrophobicContact CE1-CD2 3.49Å; Y1017-L1026 VanDerWaalsContact CE1-CD2 3.49Å
1018	L	93	Very high	86.6	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-71.9	-32.1	177.8	-70.6	169.8	0	0	0	113.3	I634 F955 K1014 Y1015 L1016 F1020 D1021 L1026 L1027 F1034	I634-L1018 HydrophobicContact CG2-CD2 4.03Å; I634-L1018 HydrophobicContact CG2-CG 4.4Å; F955-L1018 HydrophobicContact CD2-CB 3.78Å; F955-L1018 HydrophobicContact CE2-CB 3.7Å; F955-L1018 HydrophobicContact CE2-CD1 4.46Å; K1014-L1018 HydrophobicContact CG-CD1 4Å; K1014-L1018 WeakPolarHBondContact O-CB 3.26Å; K1014-L1018 VanDerWaalsContact O-CG 3.31Å; K1014-L1018 WeakPolarHBondContact O-CG 3.29Å; K1014-L1018 PolarHBondContact O-N 2.89Å; Y1015-L1018 PolarHBondContact O-N 2.89Å; L1016-L1018 PolarHBondContact O-N 3.32Å; L1018-F1020 VanDerWaalsContact C-N 3.33Å; L1018-D1021 WeakPolarHBondContact O-CB 3.5Å; L1018-D1021 PolarHBondContact O-N 3.37Å; L1018-L1026 HydrophobicContact CD2-CB 4.13Å; L1018-L1026 HydrophobicContact CD2-CD2 3.73Å; L1018-L1026 HydrophobicContact CD2-CG 3.72Å; L1018-L1027 HydrophobicContact CD1-CD1 4.32Å; L1018-L1027 HydrophobicContact CD2-CD1 4.15Å; L1018-F1034 HydrophobicContact CD1-CE1 3.59Å; L1018-F1034 HydrophobicContact CD1-CZ 3.69Å
1019	L	95.7	Very high	86.1	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.4	-35.7	174.5	173.4	62.1	0	0	0	111.1	V951 W954 F955 Y958 Q967 Y1015 L1016 D1021	V951-L1019 HydrophobicContact CG2-CD2 3.89Å; W954-L1019 HydrophobicContact CB-CD2 4.35Å; F955-L1019 HydrophobicContact CB-CB 4.45Å; Y958-L1019 HydrophobicContact CD1-CD1 4.09Å; Y958-L1019 WeakPolarHBondContact CD1-O 3.4Å; Y958-L1019 WeakPolarHBondContact CE1-O 3.31Å; Y958-L1019 HydrophobicContact CG-CD1 3.96Å; Q967-L1019 HydrophobicContact CG-CD1 3.87Å; Q967-L1019 HydrophobicContact CG-CG 4.14Å; Q967-L1019 WeakPolarHBondContact CG-O 3.3Å; Q967-L1019 PolarHBondContact NE2-O 2.93Å; Y1015-L1019 WeakPolarHBondContact O-CB 3.43Å; Y1015-L1019 PolarHBondContact O-N 2.92Å; L1016-L1019 PolarHBondContact O-N 3.2Å; L1019-D1021 VanDerWaalsContact C-N 3.28Å
1020	F	88.2	Confident	85.3	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	2.7	175.1	-57.5	-38.6	0	0	0	113.6	N581 R583 Q584 V587 Q967 W971 L1016 Y1017 L1018 D1022	N581-F1020 PolarHBondContact ND2-O 2.49Å; R583-F1020 HydrophobicContact CB-CB 4.1Å; R583-F1020 HydrophobicContact CB-CD1 3.78Å; R583-F1020 HydrophobicContact CB-CD2 3.42Å; R583-F1020 VanDerWaalsContact CB-CD2 3.42Å; R583-F1020 HydrophobicContact CB-CE1 4.03Å; R583-F1020 HydrophobicContact CB-CE2 3.7Å; R583-F1020 HydrophobicContact CB-CG 3.48Å; R583-F1020 VanDerWaalsContact CB-CG 3.48Å; R583-F1020 HydrophobicContact CB-CZ 4Å; R583-F1020 HydrophobicContact CG-CD1 4.41Å; R583-F1020 HydrophobicContact CG-CE1 4.46Å; Q584-F1020 HydrophobicContact CB-CB 4.47Å; Q584-F1020 HydrophobicContact CG-CB 3.45Å; Q584-F1020 VanDerWaalsContact CG-CB 3.45Å; V587-F1020 HydrophobicContact CG2-CD2 3.73Å; V587-F1020 HydrophobicContact CG2-CE2 3.59Å; Q967-F1020 HydrophobicContact CB-CD1 4.24Å; Q967-F1020 HydrophobicContact CB-CE1 4.27Å; Q967-F1020 WeakPolarHBondContact O-CE1 3.38Å; W971-F1020 HydrophobicContact CB-CE1 4.28Å; W971-F1020 HydrophobicContact CB-CZ 4.14Å; W971-F1020 HydrophobicContact CE3-CE2 4.37Å; W971-F1020 HydrophobicContact CE3-CZ 4.15Å; L1016-F1020 HydrophobicContact CB-CE2 4.23Å; L1016-F1020 HydrophobicContact CD2-CE2 4.2Å; L1016-F1020 HydrophobicContact CD2-CZ 4.14Å; L1016-F1020 WeakPolarHBondContact O-CD2 3.34Å; L1016-F1020 VanDerWaalsContact O-CG 3.29Å; L1016-F1020 WeakPolarHBondContact O-CG 3.34Å; L1016-F1020 PolarHBondContact O-N 3.25Å; L1016-F1020 VanDerWaalsContact O-N 3.09Å; Y1017-F1020 PolarHBondContact O-N 3.01Å; L1018-F1020 VanDerWaalsContact C-N 3.33Å; F1020-D1022 PolarHBondContact O-N 2.63Å
1021	D	77.3	Confident	84.6	Confident	15 Å²	15	27.8 Å²	27.8	8%	0.08	14%	0.141	C	C	.	.			trans	-77	90.5	167.2	175.3	26.9	0	0	0	109.9	R959 Y1017 L1018 L1019 S1023 H1024 S1025 L1026	R959-D1021 IonicContact NH2-OD2 3.93Å; R959-D1021 PolarHBondContact NH2-OD2 3.3Å; Y1017-D1021 PolarHBondContact O-N 3.17Å; L1018-D1021 WeakPolarHBondContact O-CB 3.5Å; L1018-D1021 PolarHBondContact O-N 3.37Å; L1019-D1021 VanDerWaalsContact C-N 3.28Å; D1021-S1023 VanDerWaalsContact CG-OG 3.25Å; D1021-S1023 PolarHBondContact O-N 3.5Å; D1021-S1023 WeakPolarHBondContact OD1-CB 3.38Å; D1021-S1023 PolarHBondContact OD1-N 3.42Å; D1021-S1023 VanDerWaalsContact OD1-N 3.09Å; D1021-S1023 PolarHBondContact OD1-OG 2.98Å; D1021-S1023 PolarHBondContact OD2-OG 2.88Å; D1021-H1024 PolarHBondContact O-CD2 2.03Å; D1021-H1024 PolarHBondContact O-N 2.91Å; D1021-H1024 VanDerWaalsContact O-N 3.13Å; D1021-H1024 WeakPolarHBondContact OD2-CA 3.47Å; D1021-H1024 PolarHBondContact OD2-N 2.65Å; D1021-S1025 PolarHBondContact OD2-N 3.48Å; D1021-L1026 WeakPolarHBondContact OD2-CB 3.23Å; D1021-L1026 PolarHBondContact OD2-N 3.46Å
1022	D	70.1	Confident	84.4	Confident	80 Å²	80	29.9 Å²	29.9	43%	0.428	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.7	178.8	-65.5	-36.1	0	0	0	112.3	R379 N581 Y958 Q967 F1020	R379-D1022 PolarHBondContact NH2-O 2.92Å; N581-D1022 PolarHBondContact ND2-OD2 3.29Å; Y958-D1022 WeakPolarHBondContact OH-CA 3.09Å; Y958-D1022 PolarHBondContact OH-OD1 3.37Å; Q967-D1022 PolarHBondContact NE2-OD1 2.87Å; F1020-D1022 PolarHBondContact O-N 2.63Å
1023	S	60.2	Low	84.3	Confident	10 Å²	10	30 Å²	30	7%	0.07	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-19.9	-177.9	74.3	0	0	0	0	114.9	G377 R379 D1021 S1025	G377-S1023 WeakPolarHBondContact O-CB 2.99Å; G377-S1023 PolarHBondContact O-OG 3.34Å; R379-S1023 VanDerWaalsContact CG-O 3.3Å; R379-S1023 WeakPolarHBondContact CG-O 3.47Å; R379-S1023 PolarHBondContact NE-O 3.08Å; D1021-S1023 VanDerWaalsContact CG-OG 3.25Å; D1021-S1023 PolarHBondContact O-N 3.5Å; D1021-S1023 WeakPolarHBondContact OD1-CB 3.38Å; D1021-S1023 PolarHBondContact OD1-N 3.42Å; D1021-S1023 VanDerWaalsContact OD1-N 3.09Å; D1021-S1023 PolarHBondContact OD1-OG 2.98Å; D1021-S1023 PolarHBondContact OD2-OG 2.88Å; S1023-S1025 PolarHBondContact O-N 2.87Å; S1023-S1025 VanDerWaalsContact OG-CB 3.23Å; S1023-S1025 WeakPolarHBondContact OG-CB 3.42Å; S1023-S1025 PolarHBondContact OG-N 3.28Å; S1023-S1025 PolarHBondContact OG-OG 3.28Å
1024	H	69.3	Low	84.3	Confident	39 Å²	39	30 Å²	30	18%	0.181	15%	0.149	C	C	.	.			trans	55.4	14.2	-167	-50.7	-179	0	0	0	113.8	Y958 R959 D1021	Y958-H1024 AromaticContact CD1-NE2 3.57Å; Y958-H1024 AromaticContact CE1-CD2 3.57Å; Y958-H1024 AromaticContact CE1-NE2 3.09Å; Y958-H1024 WeakPolarHBondContact CE1-NE2 3.43Å; Y958-H1024 AromaticContact CZ-NE2 3.45Å; R959-H1024 VanDerWaalsContact CZ-CA 3.5Å; R959-H1024 PolarHBondContact NH1-O 3.34Å; R959-H1024 VanDerWaalsContact NH1-O 3.16Å; D1021-H1024 PolarHBondContact O-CD2 2.03Å; D1021-H1024 PolarHBondContact O-N 2.91Å; D1021-H1024 VanDerWaalsContact O-N 3.13Å; D1021-H1024 WeakPolarHBondContact OD2-CA 3.47Å; D1021-H1024 PolarHBondContact OD2-N 2.65Å
1025	S	59.7	Low	84.4	Confident	46 Å²	46	30 Å²	30	32%	0.322	15%	0.149	S	C	.	.			trans	-84.4	-24.1	-174.9	71.2	0	0	0	0	112	D1021 S1023 L1027 P1028	D1021-S1025 PolarHBondContact OD2-N 3.48Å; S1023-S1025 PolarHBondContact O-N 2.87Å; S1023-S1025 VanDerWaalsContact OG-CB 3.23Å; S1023-S1025 WeakPolarHBondContact OG-CB 3.42Å; S1023-S1025 PolarHBondContact OG-N 3.28Å; S1023-S1025 PolarHBondContact OG-OG 3.28Å; S1025-L1027 PolarHBondContact O-N 3.27Å; S1025-P1028 WeakPolarHBondContact O-CD 3.32Å; S1025-P1028 WeakPolarHBondContact O-CG 3.33Å
1026	L	69.8	Low	84.3	Confident	48 Å²	48	31.1 Å²	31.1	25%	0.251	16%	0.156	S	C	.	.	S	Bend	trans	-76.2	123.6	174.1	-168.4	58.1	0	0	0	109.4	I634 R959 Y1017 L1018 D1021	I634-L1026 HydrophobicContact CG2-CD2 3.6Å; I634-L1026 HydrophobicContact CG2-CG 4.15Å; R959-L1026 PolarHBondContact NH1-O 3.45Å; R959-L1026 VanDerWaalsContact NH1-O 3.07Å; R959-L1026 PolarHBondContact NH2-O 2.79Å; Y1017-L1026 HydrophobicContact CD1-CD2 3.9Å; Y1017-L1026 HydrophobicContact CE1-CD2 3.49Å; Y1017-L1026 VanDerWaalsContact CE1-CD2 3.49Å; L1018-L1026 HydrophobicContact CD2-CB 4.13Å; L1018-L1026 HydrophobicContact CD2-CD2 3.73Å; L1018-L1026 HydrophobicContact CD2-CG 3.72Å; D1021-L1026 WeakPolarHBondContact OD2-CB 3.23Å; D1021-L1026 PolarHBondContact OD2-N 3.46Å
1027	L	80.4	Confident	84.2	Confident	10 Å²	10	32.2 Å²	32.2	5%	0.052	16%	0.161	C	C	.	.	S	Bend	trans	47.4	70.2	-177.6	-58	175.2	0	0	0	112.7	I634 L695 R959 L1018 S1025 L1029 Y1032 F1034 P1040	I634-L1027 HydrophobicContact CD1-CD1 3.55Å; I634-L1027 HydrophobicContact CG1-CD1 3.81Å; L695-L1027 HydrophobicContact CD2-CD2 3.66Å; R959-L1027 PolarHBondContact NH1-O 2.93Å; L1018-L1027 HydrophobicContact CD1-CD1 4.32Å; L1018-L1027 HydrophobicContact CD2-CD1 4.15Å; S1025-L1027 PolarHBondContact O-N 3.27Å; L1027-L1029 PolarHBondContact O-N 3.19Å; L1027-Y1032 HydrophobicContact CB-CD2 4.42Å; L1027-Y1032 HydrophobicContact CD2-CD1 4.24Å; L1027-Y1032 HydrophobicContact CD2-CD2 4.05Å; L1027-Y1032 HydrophobicContact CD2-CE1 4.29Å; L1027-Y1032 HydrophobicContact CD2-CE2 4.14Å; L1027-Y1032 HydrophobicContact CD2-CG 4.13Å; L1027-F1034 HydrophobicContact CB-CE2 4.28Å; L1027-F1034 HydrophobicContact CB-CZ 3.8Å; L1027-F1034 HydrophobicContact CD1-CE1 3.75Å; L1027-F1034 HydrophobicContact CD1-CZ 3.47Å; L1027-F1034 VanDerWaalsContact CD1-CZ 3.47Å; L1027-F1034 HydrophobicContact CG-CZ 4.29Å; L1027-P1040 HydrophobicContact CD1-CB 3.88Å; L1027-P1040 HydrophobicContact CD1-CG 3.76Å; L1027-P1040 HydrophobicContact CD2-CB 4.02Å; L1027-P1040 HydrophobicContact CD2-CG 4.17Å
1028	P	79.3	Confident	84.4	Confident	33 Å²	33	31.4 Å²	31.4	21%	0.214	16%	0.158	C	C	.	.			trans	-59.4	134.6	179.7	-22.4	34.1	0	0	0	111.7	S1025 K1030 E1031 Y1032	S1025-P1028 WeakPolarHBondContact O-CD 3.32Å; S1025-P1028 WeakPolarHBondContact O-CG 3.33Å; P1028-K1030 PolarHBondContact O-N 3.24Å; P1028-E1031 HydrophobicContact CB-CG 4.48Å; P1028-E1031 PolarHBondContact O-N 3.41Å; P1028-Y1032 PolarHBondContact O-N 2.86Å
1029	L	87.2	Confident	84.7	Confident	11 Å²	11	31.4 Å²	31.4	6%	0.058	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-5.3	-178.7	-60.5	-177.1	0	0	0	114.9	L889 Y892 F955 Y956 R959 L1027 F1034	L889-L1029 HydrophobicContact CD1-CB 4.48Å; L889-L1029 HydrophobicContact CD1-CD1 4.18Å; Y892-L1029 HydrophobicContact CD1-CB 4.37Å; Y892-L1029 HydrophobicContact CE1-CB 3.94Å; F955-L1029 HydrophobicContact CE1-CD2 4.16Å; F955-L1029 HydrophobicContact CZ-CD2 4.03Å; Y956-L1029 HydrophobicContact CD1-CD1 3.91Å; Y956-L1029 HydrophobicContact CD1-CD2 4.19Å; Y956-L1029 HydrophobicContact CE1-CD1 4.22Å; Y956-L1029 HydrophobicContact CE1-CD2 3.7Å; R959-L1029 HydrophobicContact CB-CD1 3.76Å; R959-L1029 HydrophobicContact CG-CD1 4.24Å; L1027-L1029 PolarHBondContact O-N 3.19Å; L1029-F1034 HydrophobicContact CD2-CE2 4.35Å
1030	K	80.8	Confident	84.8	Confident	157 Å²	157	31.4 Å²	31.4	68%	0.683	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-20.4	173.2	-66.8	-178.4	-179.5	174.9	0	112.7	Y892 P1028	Y892-K1030 HydrophobicContact CE1-CG 4.2Å; Y892-K1030 WeakPolarHBondContact OH-CE 3.3Å; P1028-K1030 PolarHBondContact O-N 3.24Å
1031	E	83.1	Confident	85.2	Confident	110 Å²	110	31.4 Å²	31.4	51%	0.514	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-28.8	-174.4	-67.3	173.5	-151.2	0	0	111.4	P1028 P1042 V1043	P1028-E1031 HydrophobicContact CB-CG 4.48Å; P1028-E1031 PolarHBondContact O-N 3.41Å; E1031-P1042 CarbonylContact O-C 3.55Å; E1031-P1042 WeakPolarHBondContact O-CA 3.22Å; E1031-V1043 PolarHBondContact O-N 2.81Å
1032	Y	93.2	Very high	85.9	Confident	51 Å²	51	31.5 Å²	31.5	20%	0.2	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146	-177.4	-60.5	-91.4	0	0	0	111.9	L695 L1027 P1028 P1040 L1041	L695-Y1032 HydrophobicContact CD2-CE1 4.2Å; L1027-Y1032 HydrophobicContact CB-CD2 4.42Å; L1027-Y1032 HydrophobicContact CD2-CD1 4.24Å; L1027-Y1032 HydrophobicContact CD2-CD2 4.05Å; L1027-Y1032 HydrophobicContact CD2-CE1 4.29Å; L1027-Y1032 HydrophobicContact CD2-CE2 4.14Å; L1027-Y1032 HydrophobicContact CD2-CG 4.13Å; P1028-Y1032 PolarHBondContact O-N 2.86Å; Y1032-P1040 HydrophobicContact CD1-CB 4.01Å; Y1032-P1040 HydrophobicContact CG-CB 4.4Å; Y1032-L1041 CarbonylContact C-O 3.46Å; Y1032-L1041 VanDerWaalsContact CA-O 3.29Å; Y1032-L1041 WeakPolarHBondContact CA-O 3.32Å
1033	V	97.7	Very high	86.9	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.9	160.3	-67.9	0	0	0	0	107.9	L753 L828 Q829 L1041 V1043	L753-V1033 HydrophobicContact CD2-CG2 4.43Å; L828-V1033 HydrophobicContact CB-CG1 3.76Å; L828-V1033 HydrophobicContact CD1-CG1 4.41Å; Q829-V1033 HydrophobicContact CB-CG2 4.02Å; Q829-V1033 HydrophobicContact CG-CG2 3.98Å; V1033-L1041 PolarHBondContact N-O 3.43Å; V1033-L1041 PolarHBondContact O-N 2.7Å; V1033-L1041 VanDerWaalsContact O-O 3.11Å; V1033-V1043 HydrophobicContact CG1-CG2 4.05Å
1034	F	98.2	Very high	88.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	136.9	175.2	-68.5	-108	0	0	0	107.9	K825 F955 Y1015 L1018 L1027 L1029 A1038 H1039 P1040	K825-F1034 WeakPolarHBondContact CD-O 3.36Å; K825-F1034 WeakPolarHBondContact CE-O 3.34Å; K825-F1034 PolarHBondContact NZ-O 3.01Å; F955-F1034 HydrophobicContact CE1-CE2 4.28Å; F955-F1034 HydrophobicContact CZ-CE2 4.19Å; F955-F1034 HydrophobicContact CZ-CZ 4.33Å; Y1015-F1034 HydrophobicContact CE1-CD1 4.28Å; L1018-F1034 HydrophobicContact CD1-CE1 3.59Å; L1018-F1034 HydrophobicContact CD1-CZ 3.69Å; L1027-F1034 HydrophobicContact CB-CE2 4.28Å; L1027-F1034 HydrophobicContact CB-CZ 3.8Å; L1027-F1034 HydrophobicContact CD1-CE1 3.75Å; L1027-F1034 HydrophobicContact CD1-CZ 3.47Å; L1027-F1034 VanDerWaalsContact CD1-CZ 3.47Å; L1027-F1034 HydrophobicContact CG-CZ 4.29Å; L1029-F1034 HydrophobicContact CD2-CE2 4.35Å; F1034-A1038 WeakPolarHBondContact CD1-O 3.36Å; F1034-H1039 CarbonylContact C-O 3.37Å; F1034-H1039 WeakPolarHBondContact CA-O 3.47Å; F1034-P1040 HydrophobicContact CD1-CB 4.38Å; F1034-P1040 HydrophobicContact CE1-CB 4.18Å; F1034-P1040 HydrophobicContact CZ-CB 4.37Å
1035	N	98.2	Very high	89.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.			trans	-72.3	-173.7	170.5	88.6	-22.9	0	0	0	111	I683 L753 E754 Y822 K825 E1037 A1038 H1039 L1041	I683-N1035 PolarHBondContact O-ND2 2.81Å; L753-N1035 HydrophobicContact CD1-CB 4.2Å; E754-N1035 VanDerWaalsContact OE1-CB 3.24Å; E754-N1035 WeakPolarHBondContact OE1-CB 3.3Å; E754-N1035 PolarHBondContact OE1-ND2 3.02Å; Y822-N1035 WeakPolarHBondContact OH-CB 3.27Å; K825-N1035 PolarHBondContact NZ-O 2.8Å; N1035-E1037 PolarHBondContact O-N 3.24Å; N1035-E1037 WeakPolarHBondContact OD1-CA 3.32Å; N1035-E1037 PolarHBondContact OD1-N 3.36Å; N1035-A1038 PolarHBondContact O-N 3.24Å; N1035-A1038 PolarHBondContact OD1-N 3.47Å; N1035-H1039 PolarHBondContact N-O 2.59Å; N1035-H1039 VanDerWaalsContact OD1-CB 3.26Å; N1035-H1039 WeakPolarHBondContact OD1-CB 3.19Å; N1035-H1039 PolarHBondContact OD1-N 3.42Å; N1035-L1041 HydrophobicContact CB-CD1 4.22Å
1036	T	96.6	Very high	90.9	Very high	25 Å²	25	32.2 Å²	32.2	15%	0.153	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.5	-178.3	-166.2	0	0	0	0	113.3	I683 T750 S818 Y822	I683-T1036 HydrophobicContact CB-CG2 3.93Å; I683-T1036 HydrophobicContact CD1-CG2 3.58Å; I683-T1036 HydrophobicContact CG1-CG2 4.23Å; I683-T1036 HydrophobicContact CG2-CG2 4.01Å; T750-T1036 HydrophobicContact CG2-CG2 3.76Å; S818-T1036 WeakPolarHBondContact CB-OG1 3.39Å; S818-T1036 WeakPolarHBondContact OG-CB 3.32Å; S818-T1036 PolarHBondContact OG-OG1 3Å; S818-T1036 VanDerWaalsContact OG-OG1 3.09Å; Y822-T1036 PolarHBondContact OH-N 3.04Å
1037	E	97.2	Very high	92.1	Very high	22 Å²	22	31.3 Å²	31.3	10%	0.103	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	27.5	178.3	-56	-68.8	136.9	0	0	111.3	I683 R684 E1011 N1035 H1039	I683-E1037 HydrophobicContact CB-CG 3.91Å; I683-E1037 HydrophobicContact CD1-CG 3.85Å; I683-E1037 VanDerWaalsContact CD1-OE1 3.26Å; I683-E1037 WeakPolarHBondContact CD1-OE1 3.36Å; I683-E1037 HydrophobicContact CG1-CG 3.63Å; R684-E1037 HydrophobicContact CG-CG 3.8Å; R684-E1037 IonicContact CZ-OE2 3.37Å; R684-E1037 IonicContact NE-OE2 2.7Å; R684-E1037 PolarHBondContact NE-OE2 3.14Å; R684-E1037 IonicContact NH2-OE2 3.11Å; E1011-E1037 WeakPolarHBondContact CG-O 3.36Å; E1011-E1037 VanDerWaalsContact OE2-C 3.3Å; E1011-E1037 WeakPolarHBondContact OE2-CA 3.21Å; N1035-E1037 PolarHBondContact O-N 3.24Å; N1035-E1037 WeakPolarHBondContact OD1-CA 3.32Å; N1035-E1037 PolarHBondContact OD1-N 3.36Å; E1037-H1039 PolarHBondContact O-N 2.99Å; E1037-H1039 VanDerWaalsContact O-N 3.09Å
1038	A	98	Very high	92.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	58	22.7	179.7	0	0	0	0	0	116.1	E1011 K1014 Y1015 F1034 N1035 P1040	E1011-A1038 HydrophobicContact CB-CB 4.01Å; E1011-A1038 HydrophobicContact CG-CB 3.77Å; K1014-A1038 HydrophobicContact CD-CB 4.01Å; K1014-A1038 VanDerWaalsContact CD-O 3.26Å; K1014-A1038 WeakPolarHBondContact CD-O 3.37Å; K1014-A1038 PolarHBondContact NZ-O 2.81Å; Y1015-A1038 HydrophobicContact CD2-CB 4.14Å; Y1015-A1038 HydrophobicContact CE1-CB 4.42Å; Y1015-A1038 HydrophobicContact CE2-CB 3.36Å; F1034-A1038 WeakPolarHBondContact CD1-O 3.36Å; N1035-A1038 PolarHBondContact O-N 3.24Å; N1035-A1038 PolarHBondContact OD1-N 3.47Å; A1038-P1040 VanDerWaalsContact O-CD 3.24Å; A1038-P1040 WeakPolarHBondContact O-CD 3.48Å
1039	H	98.5	Very high	93.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.153	C	C	.	.			trans	-82	113.9	174.4	-65.9	-51.3	0	0	0	111.1	E627 D630 I683 R684 G688 F1034 N1035 E1037 L1041	E627-H1039 PolarHBondContact O-CE1 3.38Å; D630-H1039 IonicContact OD1-ND1 3.15Å; D630-H1039 WeakPolarHBondContact OD2-CA 2.94Å; D630-H1039 IonicContact OD2-CE1 2.7Å; D630-H1039 IonicContact OD2-CG 2.72Å; D630-H1039 IonicContact OD2-ND1 3.66Å; D630-H1039 PolarHBondContact OD2-ND1 2.78Å; I683-H1039 PolarHBondContact O-CD2 3.36Å; I683-H1039 VanDerWaalsContact O-CD2 3.31Å; R684-H1039 PolarHBondContact O-NE2 3.37Å; G688-H1039 VanDerWaalsContact CA-CE1 3.46Å; G688-H1039 WeakPolarHBondContact CA-CE1 3.28Å; G688-H1039 PolarHBondContact N-CD2 3.11Å; G688-H1039 VanDerWaalsContact N-CD2 3.33Å; G688-H1039 PolarHBondContact N-NE2 3.39Å; F1034-H1039 CarbonylContact C-O 3.37Å; F1034-H1039 WeakPolarHBondContact CA-O 3.47Å; N1035-H1039 PolarHBondContact N-O 2.59Å; N1035-H1039 VanDerWaalsContact OD1-CB 3.26Å; N1035-H1039 WeakPolarHBondContact OD1-CB 3.19Å; N1035-H1039 PolarHBondContact OD1-N 3.42Å; E1037-H1039 PolarHBondContact O-N 2.99Å; E1037-H1039 VanDerWaalsContact O-N 3.09Å; H1039-L1041 PolarHBondContact O-N 3.05Å
1040	P	97.2	Very high	94	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	122.7	176.6	28.2	-37.6	0	0	0	112.4	D630 I634 S691 L695 L1027 Y1032 F1034 A1038	D630-P1040 WeakPolarHBondContact OD2-CD 3.31Å; I634-P1040 HydrophobicContact CD1-CG 4.19Å; S691-P1040 WeakPolarHBondContact OG-CD 3.41Å; S691-P1040 WeakPolarHBondContact OG-CG 3.29Å; S691-P1040 PolarHBondContact OG-O 2.67Å; L695-P1040 HydrophobicContact CD1-CG 3.95Å; L695-P1040 HydrophobicContact CD2-CG 4.45Å; L695-P1040 HydrophobicContact CG-CG 4.43Å; L1027-P1040 HydrophobicContact CD1-CB 3.88Å; L1027-P1040 HydrophobicContact CD1-CG 3.76Å; L1027-P1040 HydrophobicContact CD2-CB 4.02Å; L1027-P1040 HydrophobicContact CD2-CG 4.17Å; Y1032-P1040 HydrophobicContact CD1-CB 4.01Å; Y1032-P1040 HydrophobicContact CG-CB 4.4Å; F1034-P1040 HydrophobicContact CD1-CB 4.38Å; F1034-P1040 HydrophobicContact CE1-CB 4.18Å; F1034-P1040 HydrophobicContact CZ-CB 4.37Å; A1038-P1040 VanDerWaalsContact O-CD 3.24Å; A1038-P1040 WeakPolarHBondContact O-CD 3.48Å
1041	L	98	Very high	94.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146	175.1	-62.6	170.4	0	0	0	109.3	L690 Y694 L753 E754 Y1032 V1033 N1035 H1039	L690-L1041 HydrophobicContact CB-CD2 3.78Å; Y694-L1041 HydrophobicContact CD2-CD2 4.34Å; L753-L1041 HydrophobicContact CB-CD1 3.84Å; E754-L1041 HydrophobicContact CG-CD1 4.47Å; Y1032-L1041 CarbonylContact C-O 3.46Å; Y1032-L1041 VanDerWaalsContact CA-O 3.29Å; Y1032-L1041 WeakPolarHBondContact CA-O 3.32Å; V1033-L1041 PolarHBondContact N-O 3.43Å; V1033-L1041 PolarHBondContact O-N 2.7Å; V1033-L1041 VanDerWaalsContact O-O 3.11Å; N1035-L1041 HydrophobicContact CB-CD1 4.22Å; H1039-L1041 PolarHBondContact O-N 3.05Å
1042	P	92	Very high	95.9	Very high	18 Å²	18	18.6 Å²	18.6	12%	0.117	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	155	-174	31.3	-38.8	0	0	0	113.3	Y694 Q829 E1031 F1044	Y694-P1042 HydrophobicContact CD1-CB 4.48Å; Y694-P1042 HydrophobicContact CD1-CG 3.6Å; Y694-P1042 HydrophobicContact CD2-CG 4.2Å; Y694-P1042 HydrophobicContact CE1-CG 3.5Å; Y694-P1042 HydrophobicContact CE2-CG 4.13Å; Y694-P1042 HydrophobicContact CG-CG 3.96Å; Q829-P1042 VanDerWaalsContact CG-O 3.3Å; Q829-P1042 WeakPolarHBondContact CG-O 3.37Å; E1031-P1042 CarbonylContact O-C 3.55Å; E1031-P1042 WeakPolarHBondContact O-CA 3.22Å; P1042-F1044 HydrophobicContact CB-CE1 4.4Å; P1042-F1044 HydrophobicContact CG-CE1 3.66Å; P1042-F1044 HydrophobicContact CG-CE2 4.29Å; P1042-F1044 HydrophobicContact CG-CZ 3.53Å
1043	V	90.8	Very high	96.1	Very high	42 Å²	42	15.9 Å²	15.9	26%	0.255	8%	0.083	S	C	.	.			trans	-85.8	132.9	163.7	174.6	0	0	0	0	109.4	L828 E1031 V1033	L828-V1043 VanDerWaalsContact O-CG1 3.23Å; L828-V1043 WeakPolarHBondContact O-CG1 3.42Å; E1031-V1043 PolarHBondContact O-N 2.81Å; V1033-V1043 HydrophobicContact CG1-CG2 4.05Å
1044	F	90.7	Very high	95.9	Very high	82 Å²	82	17.2 Å²	17.2	36%	0.36	9%	0.09	S	C	.	.			trans	-107.6	0	-173.6	-59.1	-70.2	0	0	0	115	R756 R760 Q829 T830 G831 R833 P1042	R756-F1044 HydrophobicContact CG-CD2 4.22Å; R756-F1044 HydrophobicContact CG-CE2 4.05Å; R760-F1044 HydrophobicContact CB-CD1 4.12Å; R760-F1044 HydrophobicContact CB-CE1 3.46Å; R760-F1044 VanDerWaalsContact CB-CE1 3.46Å; R760-F1044 HydrophobicContact CB-CE2 4.22Å; R760-F1044 HydrophobicContact CB-CZ 3.51Å; R760-F1044 HydrophobicContact CG-CD1 3.91Å; R760-F1044 HydrophobicContact CG-CD2 3.96Å; R760-F1044 HydrophobicContact CG-CE1 3.64Å; R760-F1044 HydrophobicContact CG-CE2 3.7Å; R760-F1044 HydrophobicContact CG-CG 4.06Å; R760-F1044 HydrophobicContact CG-CZ 3.52Å; Q829-F1044 HydrophobicContact CG-CD2 4.03Å; Q829-F1044 HydrophobicContact CG-CE2 4.14Å; Q829-F1044 PolarHBondContact O-N 3.34Å; T830-F1044 CarbonylContact C-O 3.59Å; G831-F1044 PolarHBondContact N-O 3.04Å; R833-F1044 VanDerWaalsContact CZ-O 3.27Å; R833-F1044 PolarHBondContact NH1-O 3.42Å; R833-F1044 PolarHBondContact NH2-O 3.44Å; P1042-F1044 HydrophobicContact CB-CE1 4.4Å; P1042-F1044 HydrophobicContact CG-CE1 3.66Å; P1042-F1044 HydrophobicContact CG-CE2 4.29Å; P1042-F1044 HydrophobicContact CG-CZ 3.53Å

Retrieved 1,044 of 1,044 residues in 259.3 ms (Link to these results)

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