A0A087YLD8_POEFO Loading...

Alanine--tRNA ligase

Catalyzes the attachment of alanine to tRNA(Ala) in a two-step reaction: alanine is first activated by ATP to form Ala-AMP and then transferred to the acceptor end of tRNA(Ala). Also edits incorrectly charged tRNA(Ala) via its editing domain.

AlphaFold DB , UniProt , Accession A0A087YLD8, Species POEFO (Poecilia formosa, Amazon molly), Gene AARS, Length 988 aa.

						>A0A087YLD8_POEFO|A0A087YLD8|AARS
PVVLEAVRGSGSTWFGVAVIQMMRLLLRRLRRLSAASGRSFSGLPAAQVRRTFLDFFRDQHQHLLVPSAPVRPRGDPSLLFVNAGMNQFKPVLLGTVDPRSQMALWRRVANSQRCVRAGGKHNDLEDVGRDGTHHTFFEMLGSWSFGDYFKEEACRMAWSLLTEHYGIPADRLYVSYFGGDASSGLSADQETRDIWLHLGVPASRVLPFGLKDNFWEMGDTGPCGPCTEIHYDHVGGRNAAALVNAGGAEVVEIWNLVFIQYNREADHSLRLLPQFSVDTGMGLERLVGVLQGKRSNYDTDLFTPLLDAIHQRSRVGPYGGRMGAAPDAQVDRAYRVVADHIRTLAVCIADGVHPGMSGSELVLRRILRRAVRFCAEVLQAPPGSLASLVPTVAQTLGDTYPELFREADRIADIINENEGHFLSSLQRGSRLIQRTCLRTGSGPFPAAVAWSLHRALGFPLDLVDLMLEERGIQVDRQELDRLVSHEQKMRAEQQADSQPRLLLDVLSLAALQRAGVPHTDDGLKYRYHLENGRYVFPACQATVLALYDGRVLVPEVGPGRRCGVILDRTCFYSEQGGQSHDRGYLMRDGLQEVLFSVEAVNRAGGYVVHQVTVPDHLRTGDQVELHLDQAHRLSCMVKHTATHILNFALRSVLGRSVQQRGSHISADRLRFDFSVKGPLSSAQLQQVDRCIRDVISANQDVHTLEVPLRLAGAIQGLRTVDEVYPDPVRVVSLGVPVSELLDGGTSVELCCGTHLLQTGSIQDLVIVSEKQQVKGISRIVAVTGQDAVQARDMGRALTQEVDSLSARLSGSSPFSLGSALQFSKEAGALSDAVDNMPVPQWQRRELQVRLRATLRSISTAIRKLEARQAAERAALLLRRRGQTELLVDAVETDSPSVLMKTVNQLSAAAPLSHVMLLAHQRHSGKVFCACQVPKDSPALAASDWAVAVCRRLGGNAGGSALVAKGTGSSSDITEALRFAKDFALKKE
					

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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	P	44.8	Very low	35.9	Very low	176 Å²	176	144.1 Å²	144.1	100%	1.143	87%	0.871	S	S	*	*				0	133.3	0	8.9	13.7	0	0	0	109.3
2	V	37.9	Very low	36.1	Very low	146 Å²	146	140.6 Å²	140.6	89%	0.885	86%	0.858	S	S	*	*			trans	82.2	130.6	-165	-164.8	0	0	0	0	113.1
3	V	30.8	Very low	36.8	Very low	137 Å²	137	139.3 Å²	139.3	83%	0.83	85%	0.85	S	S	*	*			trans	84.6	69.4	-168.3	-158.7	0	0	0	0	115.2
4	L	33.4	Very low	37.2	Very low	179 Å²	179	146 Å²	146	94%	0.937	85%	0.852	S	S	*	*			trans	-156.4	66.8	154.9	-112.3	163.3	0	0	0	109.4
5	E	38.8	Very low	37.5	Very low	197 Å²	197	147.9 Å²	147.9	92%	0.921	85%	0.847	S	S	*	*			trans	-157.3	89.9	165.5	-139.2	175.7	-160.8	0	0	110.1
6	A	32.5	Very low	37.7	Very low	96 Å²	96	141 Å²	141	79%	0.793	82%	0.818	S	S	*	*			trans	-179.4	145	150.9	0	0	0	0	0	110
7	V	31.3	Very low	38.4	Very low	134 Å²	134	138 Å²	138	81%	0.812	80%	0.802	S	S	*	*			trans	90.9	77.8	171.4	-160.7	0	0	0	0	115.9
8	R	37	Very low	39	Very low	259 Å²	259	133.3 Å²	133.3	98%	0.977	78%	0.782	S	S	*	*			trans	-78.8	126.2	138.1	-80.8	-179.4	172.9	-178.2	-1.5	107.9
9	G	31.6	Very low	39.6	Very low	59 Å²	59	130.2 Å²	130.2	61%	0.608	76%	0.764	S	S	*	*			trans	163.8	109.7	167.6	0	0	0	0	0	114.5
10	S	34.7	Very low	40.3	Very low	124 Å²	124	128.4 Å²	128.4	87%	0.867	75%	0.751	S	S	*	*			trans	57.3	108.7	157.9	60	0	0	0	0	120.9
11	G	42	Very low	40.9	Very low	78 Å²	78	128.3 Å²	128.3	80%	0.804	74%	0.743	S	S	*	*				59.1	91.7	128.4	0	0	0	0	0	120.2
12	S	38.4	Very low	41.3	Very low	102 Å²	102	126 Å²	126	71%	0.713	72%	0.718	S	S	*	*			trans	167.8	80.8	141.1	44.9	0	0	0	0	110.8	W14	S12-W14 PolarHBondContact O-N 3.41Å
13	T	45.5	Very low	41.7	Very low	124 Å²	124	124.5 Å²	124.5	76%	0.761	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	8.9	-169.6	39.4	0	0	0	0	116.4
14	W	42.3	Very low	42.6	Very low	233 Å²	233	126.3 Å²	126.3	88%	0.883	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-27.5	178.2	-90.5	81.4	0	0	0	114.9	S12	S12-W14 PolarHBondContact O-N 3.41Å
15	F	41.2	Very low	43.3	Very low	174 Å²	174	122.9 Å²	122.9	76%	0.763	68%	0.677	S	S	*	*	H	α-helix	trans	-83.8	-33.7	-179.9	-108.5	-95.2	0	0	0	113.3	V17 V19	F15-V17 PolarHBondContact O-N 3.13Å; F15-V19 WeakPolarHBondContact O-CG2 3.43Å; F15-V19 PolarHBondContact O-N 2.9Å
16	G	41.8	Very low	43.5	Very low	38 Å²	38	118 Å²	118	39%	0.392	66%	0.657	S	S	.	*	H	α-helix	trans	-67.5	-35	-178.5	0	0	0	0	0	114.2	I20	G16-I20 WeakPolarHBondContact O-CB 3.03Å; G16-I20 WeakPolarHBondContact O-CD1 3.37Å; G16-I20 WeakPolarHBondContact O-CG1 3.35Å; G16-I20 PolarHBondContact O-N 3.48Å; G16-I20 VanDerWaalsContact O-N 3.08Å
17	V	49.6	Very low	44	Very low	90 Å²	90	118.2 Å²	118.2	55%	0.545	64%	0.644	S	S	.	*	H	α-helix	trans	-73.2	-38.5	-179.2	-178	0	0	0	0	111.3	F15 I20 Q21	F15-V17 PolarHBondContact O-N 3.13Å; V17-I20 PolarHBondContact O-N 3.47Å; V17-Q21 WeakPolarHBondContact O-CB 3.48Å; V17-Q21 PolarHBondContact O-N 3.37Å
18	A	47.7	Very low	44.6	Very low	54 Å²	54	120.8 Å²	120.8	45%	0.446	64%	0.639	S	S	.	*	H	α-helix	trans	-66.8	-42.2	176.6	0	0	0	0	0	111.9	Q21 M22	A18-Q21 PolarHBondContact O-N 3.33Å; A18-M22 VanDerWaalsContact O-CB 3.3Å; A18-M22 WeakPolarHBondContact O-CB 3.49Å; A18-M22 PolarHBondContact O-N 3.06Å
19	V	51.5	Low	44.7	Very low	73 Å²	73	117.2 Å²	117.2	44%	0.442	63%	0.626	S	S	.	*	H	α-helix	trans	-67.8	-37.3	177.5	175	0	0	0	0	111.5	F15 M22 M23	F15-V19 WeakPolarHBondContact O-CG2 3.43Å; F15-V19 PolarHBondContact O-N 2.9Å; V19-M22 PolarHBondContact O-N 2.84Å; V19-M23 HydrophobicContact CG1-SD 4.45Å; V19-M23 WeakPolarHBondContact O-CB 3.43Å; V19-M23 WeakPolarHBondContact O-CG 3.32Å; V19-M23 PolarHBondContact O-N 2.99Å
20	I	52.9	Low	44.9	Very low	95 Å²	95	119 Å²	119	49%	0.487	62%	0.621	S	S	.	*	H	α-helix	trans	-69.5	-38.3	175.5	-68.6	166.9	0	0	0	111.5	G16 V17 R24	G16-I20 WeakPolarHBondContact O-CB 3.03Å; G16-I20 WeakPolarHBondContact O-CD1 3.37Å; G16-I20 WeakPolarHBondContact O-CG1 3.35Å; G16-I20 PolarHBondContact O-N 3.48Å; G16-I20 VanDerWaalsContact O-N 3.08Å; V17-I20 PolarHBondContact O-N 3.47Å; I20-R24 VanDerWaalsContact O-CB 3.3Å; I20-R24 WeakPolarHBondContact O-CB 3.39Å; I20-R24 VanDerWaalsContact O-CG 3.23Å; I20-R24 WeakPolarHBondContact O-CG 3.43Å; I20-R24 PolarHBondContact O-N 3.03Å
21	Q	52.5	Low	44.9	Very low	127 Å²	127	122.8 Å²	122.8	59%	0.593	62%	0.616	S	S	*	*	H	α-helix	trans	-66.7	-40.6	172.6	-95.7	-177.5	-21.9	0	0	112	V17 A18 R24 L25	V17-Q21 WeakPolarHBondContact O-CB 3.48Å; V17-Q21 PolarHBondContact O-N 3.37Å; A18-Q21 PolarHBondContact O-N 3.33Å; Q21-R24 PolarHBondContact O-N 3.01Å; Q21-L25 WeakPolarHBondContact O-CB 3.23Å; Q21-L25 PolarHBondContact O-N 3.47Å
22	M	53.5	Low	44.9	Very low	127 Å²	127	128.7 Å²	128.7	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-68.8	-40.3	178.4	-155	171.9	91.6	0	0	111.5	A18 V19 L25 L26	A18-M22 VanDerWaalsContact O-CB 3.3Å; A18-M22 WeakPolarHBondContact O-CB 3.49Å; A18-M22 PolarHBondContact O-N 3.06Å; V19-M22 PolarHBondContact O-N 2.84Å; M22-L25 PolarHBondContact O-N 2.85Å; M22-L26 WeakPolarHBondContact O-CB 3.41Å; M22-L26 PolarHBondContact O-N 2.73Å
23	M	45.7	Very low	44.7	Very low	114 Å²	114	129.8 Å²	129.8	56%	0.562	61%	0.611	S	S	*	*	H	α-helix	trans	-66.9	-35.7	171.3	-78.3	-173.6	81	0	0	112.3	V19 L26 L27	V19-M23 HydrophobicContact CG1-SD 4.45Å; V19-M23 WeakPolarHBondContact O-CB 3.43Å; V19-M23 WeakPolarHBondContact O-CG 3.32Å; V19-M23 PolarHBondContact O-N 2.99Å; M23-L26 PolarHBondContact O-N 3.17Å; M23-L27 WeakPolarHBondContact O-CB 3.36Å; M23-L27 WeakPolarHBondContact O-CD1 3.28Å; M23-L27 VanDerWaalsContact O-CG 3.26Å; M23-L27 WeakPolarHBondContact O-CG 3.37Å; M23-L27 PolarHBondContact O-N 3.4Å
24	R	50.1	Low	43.9	Very low	176 Å²	176	128 Å²	128	66%	0.664	60%	0.604	S	S	*	*	H	α-helix	trans	-67.5	-35	172.7	-78.9	176.4	177.7	-173.4	0.8	112.3	I20 Q21 R28	I20-R24 VanDerWaalsContact O-CB 3.3Å; I20-R24 WeakPolarHBondContact O-CB 3.39Å; I20-R24 VanDerWaalsContact O-CG 3.23Å; I20-R24 WeakPolarHBondContact O-CG 3.43Å; I20-R24 PolarHBondContact O-N 3.03Å; Q21-R24 PolarHBondContact O-N 3.01Å; R24-R28 VanDerWaalsContact O-CB 3.26Å; R24-R28 WeakPolarHBondContact O-CB 3.33Å; R24-R28 WeakPolarHBondContact O-CG 3.49Å; R24-R28 PolarHBondContact O-N 3.44Å
25	L	48.8	Very low	43.5	Very low	106 Å²	106	119.6 Å²	119.6	56%	0.555	58%	0.584	S	S	*	*	H	α-helix	trans	-71	-40.6	172.9	-85	156.6	0	0	0	111.8	Q21 M22 R28 R29	Q21-L25 WeakPolarHBondContact O-CB 3.23Å; Q21-L25 PolarHBondContact O-N 3.47Å; M22-L25 PolarHBondContact O-N 2.85Å; L25-R28 PolarHBondContact O-N 2.61Å; L25-R29 WeakPolarHBondContact O-CB 3.23Å; L25-R29 PolarHBondContact O-N 2.85Å
26	L	43.5	Very low	43.1	Very low	95 Å²	95	115.1 Å²	115.1	50%	0.497	58%	0.579	S	S	.	*	H	α-helix	trans	-67.1	-42.7	174.1	-120.7	92.5	0	0	0	111.5	M22 M23 R28 R29 L30	M22-L26 WeakPolarHBondContact O-CB 3.41Å; M22-L26 PolarHBondContact O-N 2.73Å; M23-L26 PolarHBondContact O-N 3.17Å; L26-R28 VanDerWaalsContact C-N 3.34Å; L26-R29 CarbonylContact O-C 3.48Å; L26-R29 PolarHBondContact O-N 2.97Å; L26-L30 HydrophobicContact CD2-CD1 4.32Å; L26-L30 VanDerWaalsContact O-CB 3.26Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 WeakPolarHBondContact O-CD1 3.43Å; L26-L30 WeakPolarHBondContact O-CG 3.46Å; L26-L30 PolarHBondContact O-N 3.44Å
27	L	41.9	Very low	42.9	Very low	101 Å²	101	118 Å²	118	53%	0.529	59%	0.593	S	S	.	*	H	α-helix	trans	-68.3	-31.5	175.4	-78.2	159.3	0	0	0	111.8	M23 R31	M23-L27 WeakPolarHBondContact O-CB 3.36Å; M23-L27 WeakPolarHBondContact O-CD1 3.28Å; M23-L27 VanDerWaalsContact O-CG 3.26Å; M23-L27 WeakPolarHBondContact O-CG 3.37Å; M23-L27 PolarHBondContact O-N 3.4Å; L27-R31 VanDerWaalsContact O-CB 3.25Å; L27-R31 WeakPolarHBondContact O-CB 3.44Å; L27-R31 PolarHBondContact O-N 2.84Å
28	R	45.2	Very low	42.1	Very low	188 Å²	188	117.2 Å²	117.2	71%	0.709	60%	0.604	S	S	*	*	H	α-helix	trans	-69.1	-39.6	168.9	-90.8	178.5	153	-179.4	-6.4	112.2	R24 L25 L26 R32	R24-R28 VanDerWaalsContact O-CB 3.26Å; R24-R28 WeakPolarHBondContact O-CB 3.33Å; R24-R28 WeakPolarHBondContact O-CG 3.49Å; R24-R28 PolarHBondContact O-N 3.44Å; L25-R28 PolarHBondContact O-N 2.61Å; L26-R28 VanDerWaalsContact C-N 3.34Å; R28-R32 WeakPolarHBondContact O-CB 3.36Å; R28-R32 WeakPolarHBondContact O-CG 3.49Å; R28-R32 PolarHBondContact O-N 3.47Å
29	R	39.3	Very low	41.7	Very low	184 Å²	184	125.3 Å²	125.3	69%	0.694	62%	0.623	S	S	*	*	H	α-helix	trans	-69.6	-40.3	174.1	-84.2	-172.8	172.9	-155.4	-1.4	112.2	L25 L26 R32 L33	L25-R29 WeakPolarHBondContact O-CB 3.23Å; L25-R29 PolarHBondContact O-N 2.85Å; L26-R29 CarbonylContact O-C 3.48Å; L26-R29 PolarHBondContact O-N 2.97Å; R29-R32 WeakPolarHBondContact O-CB 3.41Å; R29-R32 PolarHBondContact O-N 2.88Å; R29-L33 WeakPolarHBondContact O-CB 3.42Å; R29-L33 WeakPolarHBondContact O-CG 3.5Å; R29-L33 PolarHBondContact O-N 3.34Å
30	L	34.3	Very low	41.1	Very low	95 Å²	95	126.3 Å²	126.3	50%	0.497	63%	0.632	S	S	.	*	H	α-helix	trans	-71	-35.4	176.5	-76.8	160.1	0	0	0	111.9	L26 R32 L33 S34	L26-L30 HydrophobicContact CD2-CD1 4.32Å; L26-L30 VanDerWaalsContact O-CB 3.26Å; L26-L30 WeakPolarHBondContact O-CB 3.39Å; L26-L30 WeakPolarHBondContact O-CD1 3.43Å; L26-L30 WeakPolarHBondContact O-CG 3.46Å; L26-L30 PolarHBondContact O-N 3.44Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-L33 PolarHBondContact O-N 2.88Å; L30-S34 WeakPolarHBondContact O-CB 3.38Å; L30-S34 PolarHBondContact O-N 2.88Å
31	R	36.3	Very low	40.9	Very low	205 Å²	205	125.4 Å²	125.4	77%	0.774	63%	0.625	S	S	*	*	H	α-helix	trans	-66.2	-32.4	167.4	-91.9	-178.3	162.5	-179.1	-5	112.9	L27 A35	L27-R31 VanDerWaalsContact O-CB 3.25Å; L27-R31 WeakPolarHBondContact O-CB 3.44Å; L27-R31 PolarHBondContact O-N 2.84Å; R31-A35 WeakPolarHBondContact O-CB 3.25Å; R31-A35 PolarHBondContact O-N 2.89Å; R31-A35 VanDerWaalsContact O-N 3.07Å
32	R	40.8	Very low	40.9	Very low	202 Å²	202	123.1 Å²	123.1	76%	0.762	62%	0.623	S	S	*	*	H	α-helix	trans	-72.3	-37.6	173.4	-78.7	-179.8	178.5	-166.2	-0.9	112.3	R28 R29 L30 A36	R28-R32 WeakPolarHBondContact O-CB 3.36Å; R28-R32 WeakPolarHBondContact O-CG 3.49Å; R28-R32 PolarHBondContact O-N 3.47Å; R29-R32 WeakPolarHBondContact O-CB 3.41Å; R29-R32 PolarHBondContact O-N 2.88Å; L30-R32 VanDerWaalsContact C-N 3.34Å; R32-A36 PolarHBondContact O-N 3.49Å
33	L	33.9	Very low	41.7	Very low	125 Å²	125	119.4 Å²	119.4	65%	0.654	62%	0.617	S	S	*	*	H	α-helix	trans	-74.9	-34.8	176.8	-72.1	161.5	0	0	0	112.6	R29 L30 A36	R29-L33 WeakPolarHBondContact O-CB 3.42Å; R29-L33 WeakPolarHBondContact O-CG 3.5Å; R29-L33 PolarHBondContact O-N 3.34Å; L30-L33 PolarHBondContact O-N 2.88Å; L33-A36 PolarHBondContact O-N 2.61Å
34	S	29.9	Very low	43.7	Very low	87 Å²	87	116.3 Å²	116.3	61%	0.608	60%	0.603	S	S	*	*	H	α-helix	trans	-76	-23.4	173.7	164	0	0	0	0	113.4	L30 S37	L30-S34 WeakPolarHBondContact O-CB 3.38Å; L30-S34 PolarHBondContact O-N 2.88Å; S34-S37 PolarHBondContact O-OG 2.84Å
35	A	32.5	Very low	45.7	Very low	56 Å²	56	110.6 Å²	110.6	46%	0.463	59%	0.589	S	S	.	*	S	Bend	trans	-84.6	-10.2	172.8	0	0	0	0	0	113.3	R31	R31-A35 WeakPolarHBondContact O-CB 3.25Å; R31-A35 PolarHBondContact O-N 2.89Å; R31-A35 VanDerWaalsContact O-N 3.07Å
36	A	34.4	Very low	47.9	Very low	80 Å²	80	105.8 Å²	105.8	66%	0.661	56%	0.564	S	S	*	*	S	Bend	trans	-83.4	-13.9	177.2	0	0	0	0	0	113.1	R32 L33	R32-A36 PolarHBondContact O-N 3.49Å; L33-A36 PolarHBondContact O-N 2.61Å
37	S	36.7	Very low	50.3	Low	98 Å²	98	104.4 Å²	104.4	69%	0.685	57%	0.566	S	S	*	*	S	Bend	trans	-97.3	91.2	170.5	59.8	0	0	0	0	110	S34	S34-S37 PolarHBondContact O-OG 2.84Å
38	G	32.7	Very low	52.8	Low	74 Å²	74	104.2 Å²	104.2	76%	0.763	56%	0.563	S	S	*	*			trans	119.1	23.4	162.4	0	0	0	0	0	118	S40	G38-S40 PolarHBondContact O-N 3.3Å
39	R	39.7	Very low	55.3	Low	224 Å²	224	95.2 Å²	95.2	85%	0.845	53%	0.529	S	S	*	.			trans	-74.1	104.6	159.6	-83.3	-174.5	172.1	-177	-2.9	108.4	F41	R39-F41 PolarHBondContact O-N 3.16Å
40	S	38.3	Very low	58	Low	93 Å²	93	87.2 Å²	87.2	65%	0.65	50%	0.499	S	S	*	.			trans	-51.3	132.7	172	178.2	0	0	0	0	110.6	G38 S42	G38-S40 PolarHBondContact O-N 3.3Å; S40-S42 PolarHBondContact O-N 2.92Å; S40-S42 PolarHBondContact OG-OG 3.09Å
41	F	48.7	Very low	60.9	Low	76 Å²	76	90.7 Å²	90.7	33%	0.333	51%	0.505	S	S	.	.	S	Bend	trans	-61.9	0.4	179.4	171.4	-107.4	0	0	0	114.6	R39 P169 Y232	R39-F41 PolarHBondContact O-N 3.16Å; F41-P169 HydrophobicContact CD2-CG 4.43Å; F41-P169 HydrophobicContact CE2-CG 4.27Å; F41-Y232 WeakPolarHBondContact CZ-OH 3.3Å
42	S	53	Low	63.9	Low	80 Å²	80	82.6 Å²	82.6	56%	0.559	48%	0.478	S	S	*	.	S	Bend	trans	-122.8	121.8	-168.1	65.2	0	0	0	0	113.9	S40	S40-S42 PolarHBondContact O-N 2.92Å; S40-S42 PolarHBondContact OG-OG 3.09Å
43	G	69.7	Low	66.6	Low	48 Å²	48	73 Å²	73	50%	0.495	44%	0.442	S	S	.	.			trans	115.1	26.6	152.4	0	0	0	0	0	117.5	P45 L291	G43-P45 WeakPolarHBondContact O-CD 3.39Å; G43-L291 PolarHBondContact N-O 2.92Å
44	L	88.1	Confident	69.6	Low	49 Å²	49	68.6 Å²	68.6	26%	0.257	42%	0.419	S	S	.	.			trans	-66.3	124.6	174.3	-73.7	168.2	0	0	0	110.8	Q48 V49 Y166 L291 Q292	L44-Q48 VanDerWaalsContact CD2-CD 3.47Å; L44-Q48 HydrophobicContact CD2-CG 4.09Å; L44-V49 HydrophobicContact CB-CG2 3.85Å; L44-Y166 HydrophobicContact CD1-CD1 4.18Å; L44-L291 HydrophobicContact CD1-CD1 4.29Å; L44-Q292 PolarHBondContact O-NE2 3.13Å
45	P	92.9	Very high	72.9	Confident	57 Å²	57	66.2 Å²	66.2	37%	0.37	40%	0.4	S	S	.	.			trans	-64.8	148.6	173.8	-21.6	33.8	0	0	0	111.7	G43 A47 Q48 V49 D301	G43-P45 WeakPolarHBondContact O-CD 3.39Å; P45-A47 PolarHBondContact O-N 3.16Å; P45-Q48 WeakPolarHBondContact O-CA 3.36Å; P45-Q48 WeakPolarHBondContact O-CB 3.31Å; P45-Q48 PolarHBondContact O-N 3.43Å; P45-V49 PolarHBondContact O-N 3.28Å; P45-D301 WeakPolarHBondContact CA-OD2 3.44Å; P45-D301 WeakPolarHBondContact CB-OD2 3.46Å
46	A	93.9	Very high	76	Confident	4 Å²	4	63.9 Å²	63.9	3%	0.033	38%	0.379	C	S	.	.	H	α-helix	trans	-56.5	-37.4	-176.9	0	0	0	0	0	113.4	Q48 V49 R50 V288 D301 L302	A46-Q48 VanDerWaalsContact C-N 3.3Å; A46-Q48 PolarHBondContact O-N 3.41Å; A46-V49 PolarHBondContact O-N 2.91Å; A46-R50 PolarHBondContact O-N 2.86Å; A46-V288 HydrophobicContact CB-CG1 4.14Å; A46-V288 HydrophobicContact CB-CG2 3.77Å; A46-D301 WeakPolarHBondContact CB-OD1 3.31Å; A46-D301 PolarHBondContact N-OD1 3.35Å; A46-D301 PolarHBondContact N-OD2 3.07Å; A46-L302 HydrophobicContact CB-CD1 4.15Å; A46-L302 HydrophobicContact CB-CD2 3.44Å; A46-L302 VanDerWaalsContact CB-CD2 3.44Å; A46-L302 HydrophobicContact CB-CG 3.58Å
47	A	93.4	Very high	79.1	Confident	66 Å²	66	60.1 Å²	60.1	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-38.4	174.7	0	0	0	0	0	112.5	P45 R51	P45-A47 PolarHBondContact O-N 3.16Å; A47-R51 WeakPolarHBondContact O-CB 3.39Å; A47-R51 PolarHBondContact O-N 3.31Å
48	Q	95.3	Very high	82	Confident	97 Å²	97	60 Å²	60	45%	0.453	33%	0.332	S	S	.	.	H	α-helix	trans	-73.4	-36.4	176.9	-171.6	173	4.2	0	0	111.6	L44 P45 A46 R51 T52	L44-Q48 VanDerWaalsContact CD2-CD 3.47Å; L44-Q48 HydrophobicContact CD2-CG 4.09Å; P45-Q48 WeakPolarHBondContact O-CA 3.36Å; P45-Q48 WeakPolarHBondContact O-CB 3.31Å; P45-Q48 PolarHBondContact O-N 3.43Å; A46-Q48 VanDerWaalsContact C-N 3.3Å; A46-Q48 PolarHBondContact O-N 3.41Å; Q48-R51 PolarHBondContact O-N 3.2Å; Q48-T52 WeakPolarHBondContact O-CB 3.24Å; Q48-T52 PolarHBondContact O-N 3.5Å; Q48-T52 PolarHBondContact O-OG1 2.89Å
49	V	96.9	Very high	85.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.2	-54.1	173.3	177.1	0	0	0	0	110	L44 P45 A46 R51 T52 F53 Y166 L284 L287 V288 L291	L44-V49 HydrophobicContact CB-CG2 3.85Å; P45-V49 PolarHBondContact O-N 3.28Å; A46-V49 PolarHBondContact O-N 2.91Å; V49-R51 VanDerWaalsContact C-N 3.32Å; V49-R51 PolarHBondContact O-N 3.47Å; V49-T52 PolarHBondContact O-N 3.48Å; V49-T52 VanDerWaalsContact O-N 3.12Å; V49-F53 PolarHBondContact O-N 2.92Å; V49-F53 VanDerWaalsContact O-N 3.07Å; V49-Y166 HydrophobicContact CG1-CE1 4.05Å; V49-Y166 PolarHBondContact O-OH 2.97Å; V49-L284 HydrophobicContact CB-CD1 4.28Å; V49-L284 HydrophobicContact CG1-CD1 3.88Å; V49-L287 HydrophobicContact CG1-CD2 3.47Å; V49-L287 VanDerWaalsContact CG1-CD2 3.47Å; V49-L287 HydrophobicContact CG1-CG 4.06Å; V49-V288 HydrophobicContact CB-CG2 4.1Å; V49-V288 HydrophobicContact CG1-CG2 4.15Å; V49-V288 HydrophobicContact CG2-CG2 4.1Å; V49-L291 HydrophobicContact CB-CD1 4.47Å; V49-L291 HydrophobicContact CG1-CD1 4Å; V49-L291 HydrophobicContact CG2-CD1 3.61Å
50	R	96.8	Very high	87.7	Confident	16 Å²	16	55.7 Å²	55.7	6%	0.06	31%	0.305	C	S	.	.	H	α-helix	trans	-54.1	-47.6	176.6	-171.8	-176.1	-54.2	98.1	0.6	111.9	A46 T52 F53 L54 E139 L141 L284 T400	A46-R50 PolarHBondContact O-N 2.86Å; R50-T52 PolarHBondContact O-N 3.38Å; R50-F53 PolarHBondContact O-N 2.95Å; R50-L54 HydrophobicContact CG-CD1 4.25Å; R50-L54 WeakPolarHBondContact O-CG 3.45Å; R50-L54 PolarHBondContact O-N 3.11Å; R50-L54 VanDerWaalsContact O-N 3.15Å; R50-E139 IonicContact CZ-OE1 2.74Å; R50-E139 IonicContact CZ-OE2 3.54Å; R50-E139 IonicContact NE-OE1 3.53Å; R50-E139 IonicContact NE-OE2 3.06Å; R50-E139 PolarHBondContact NE-OE2 3.06Å; R50-E139 IonicContact NH2-OE1 3.57Å; R50-E139 PolarHBondContact NH2-OE1 3.48Å; R50-E139 IonicContact NH2-OE2 2.62Å; R50-E139 PolarHBondContact NH2-OE2 3.14Å; R50-L141 HydrophobicContact CG-CD2 3.99Å; R50-L284 HydrophobicContact CB-CD1 4.35Å; R50-L284 VanDerWaalsContact NH2-CD2 3.25Å; R50-T400 PolarHBondContact NH1-OG1 3.37Å
51	R	95.9	Very high	90.5	Very high	167 Å²	167	53 Å²	53	63%	0.63	28%	0.282	S	S	*	.	H	α-helix	trans	-63.1	-41.8	178.9	-178.6	172.8	-179.4	168.6	5.3	112.5	A47 Q48 V49 F53 L54 D55	A47-R51 WeakPolarHBondContact O-CB 3.39Å; A47-R51 PolarHBondContact O-N 3.31Å; Q48-R51 PolarHBondContact O-N 3.2Å; V49-R51 VanDerWaalsContact C-N 3.32Å; V49-R51 PolarHBondContact O-N 3.47Å; R51-F53 VanDerWaalsContact C-N 3.33Å; R51-F53 PolarHBondContact O-N 3.37Å; R51-L54 PolarHBondContact O-N 2.94Å; R51-D55 VanDerWaalsContact CG-OD2 3.22Å; R51-D55 WeakPolarHBondContact CG-OD2 3.42Å; R51-D55 IonicContact NE-OD2 3.39Å; R51-D55 PolarHBondContact NE-OD2 3.23Å; R51-D55 VanDerWaalsContact O-CB 3.25Å; R51-D55 WeakPolarHBondContact O-CB 3.49Å; R51-D55 VanDerWaalsContact O-CG 3.26Å; R51-D55 PolarHBondContact O-N 3.48Å
52	T	97.8	Very high	92.8	Very high	35 Å²	35	57.2 Å²	57.2	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-42.9	179.6	-59.2	0	0	0	0	111.1	Q48 V49 R50 F56 Y166	Q48-T52 WeakPolarHBondContact O-CB 3.24Å; Q48-T52 PolarHBondContact O-N 3.5Å; Q48-T52 PolarHBondContact O-OG1 2.89Å; V49-T52 PolarHBondContact O-N 3.48Å; V49-T52 VanDerWaalsContact O-N 3.12Å; R50-T52 PolarHBondContact O-N 3.38Å; T52-F56 WeakPolarHBondContact O-CB 3.49Å; T52-F56 PolarHBondContact O-N 3.28Å; T52-Y166 HydrophobicContact CG2-CD1 4.36Å; T52-Y166 HydrophobicContact CG2-CE1 3.73Å
53	F	98.3	Very high	94.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58	-53.8	173.9	179.3	-90.8	0	0	0	111.9	V49 R50 R51 F56 F57 L141 G142 L161 Y166 W255 M282	V49-F53 PolarHBondContact O-N 2.92Å; V49-F53 VanDerWaalsContact O-N 3.07Å; R50-F53 PolarHBondContact O-N 2.95Å; R51-F53 VanDerWaalsContact C-N 3.33Å; R51-F53 PolarHBondContact O-N 3.37Å; F53-F56 PolarHBondContact O-N 3.47Å; F53-F57 HydrophobicContact CD1-CD2 4.19Å; F53-F57 HydrophobicContact CD2-CD2 4.11Å; F53-F57 AromaticContact CD2-CE2 3.83Å; F53-F57 HydrophobicContact CD2-CE2 3.83Å; F53-F57 AromaticContact CE1-CD2 3.89Å; F53-F57 HydrophobicContact CE1-CD2 3.89Å; F53-F57 HydrophobicContact CE1-CE2 4.17Å; F53-F57 AromaticContact CE2-CD2 3.85Å; F53-F57 HydrophobicContact CE2-CD2 3.85Å; F53-F57 AromaticContact CE2-CE2 3.32Å; F53-F57 HydrophobicContact CE2-CE2 3.32Å; F53-F57 HydrophobicContact CE2-CZ 4.34Å; F53-F57 HydrophobicContact CG-CD2 4.29Å; F53-F57 HydrophobicContact CG-CE2 4.46Å; F53-F57 AromaticContact CZ-CD2 3.71Å; F53-F57 HydrophobicContact CZ-CD2 3.71Å; F53-F57 AromaticContact CZ-CE2 3.49Å; F53-F57 HydrophobicContact CZ-CE2 3.49Å; F53-F57 VanDerWaalsContact CZ-CE2 3.49Å; F53-F57 HydrophobicContact CZ-CZ 4.45Å; F53-F57 WeakPolarHBondContact O-CD2 3.38Å; F53-F57 PolarHBondContact O-N 2.99Å; F53-F57 VanDerWaalsContact O-N 3.16Å; F53-L141 HydrophobicContact CB-CD1 4.02Å; F53-L141 HydrophobicContact CD1-CB 3.97Å; F53-L141 HydrophobicContact CD1-CD2 4.07Å; F53-L141 HydrophobicContact CD1-CG 4.41Å; F53-L141 HydrophobicContact CD2-CB 4.05Å; F53-L141 HydrophobicContact CD2-CD1 4.14Å; F53-L141 HydrophobicContact CE1-CB 3.87Å; F53-L141 HydrophobicContact CE2-CB 3.91Å; F53-L141 HydrophobicContact CG-CB 4.07Å; F53-L141 HydrophobicContact CG-CD1 3.98Å; F53-L141 HydrophobicContact CG-CD2 4.32Å; F53-L141 HydrophobicContact CG-CG 4.36Å; F53-L141 HydrophobicContact CZ-CB 3.84Å; F53-G142 WeakPolarHBondContact CE1-O 3.34Å; F53-L161 HydrophobicContact CD2-CD2 3.64Å; F53-L161 HydrophobicContact CE2-CD2 4.17Å; F53-Y166 PolarHBondContact N-OH 3.06Å; F53-W255 HydrophobicContact CE2-CH2 4.19Å; F53-W255 AromaticContact CE2-CZ2 3.94Å; F53-W255 HydrophobicContact CE2-CZ2 3.94Å; F53-M282 HydrophobicContact CD2-CE 3.26Å; F53-M282 HydrophobicContact CE2-CE 3.55Å; F53-M282 HydrophobicContact CG-CE 4.3Å
54	L	97.8	Very high	96.2	Very high	34 Å²	34	55.1 Å²	55.1	18%	0.178	27%	0.274	C	S	.	.	H	α-helix	trans	-66	-42.3	-176.3	-63.6	173	0	0	0	112.1	R50 R51 R58 L65	R50-L54 HydrophobicContact CG-CD1 4.25Å; R50-L54 WeakPolarHBondContact O-CG 3.45Å; R50-L54 PolarHBondContact O-N 3.11Å; R50-L54 VanDerWaalsContact O-N 3.15Å; R51-L54 PolarHBondContact O-N 2.94Å; L54-R58 VanDerWaalsContact O-CB 3.25Å; L54-R58 WeakPolarHBondContact O-CB 3.49Å; L54-R58 PolarHBondContact O-N 3.41Å; L54-L65 HydrophobicContact CB-CD1 4.11Å; L54-L65 HydrophobicContact CB-CD2 4.17Å; L54-L65 HydrophobicContact CD2-CD2 4.03Å
55	D	98.1	Very high	96.7	Very high	37 Å²	37	55.6 Å²	55.6	20%	0.198	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-38	177.7	-71.4	-14.6	0	0	0	110.9	R51 R58 D59	R51-D55 VanDerWaalsContact CG-OD2 3.22Å; R51-D55 WeakPolarHBondContact CG-OD2 3.42Å; R51-D55 IonicContact NE-OD2 3.39Å; R51-D55 PolarHBondContact NE-OD2 3.23Å; R51-D55 VanDerWaalsContact O-CB 3.25Å; R51-D55 WeakPolarHBondContact O-CB 3.49Å; R51-D55 VanDerWaalsContact O-CG 3.26Å; R51-D55 PolarHBondContact O-N 3.48Å; D55-R58 VanDerWaalsContact CG-NH2 3.32Å; D55-R58 IonicContact OD1-CZ 3.04Å; D55-R58 IonicContact OD1-NH1 3.21Å; D55-R58 PolarHBondContact OD1-NH1 3.48Å; D55-R58 IonicContact OD1-NH2 3.28Å; D55-R58 PolarHBondContact OD1-NH2 2.92Å; D55-D59 WeakPolarHBondContact O-CB 3.45Å; D55-D59 VanDerWaalsContact O-CG 3.32Å; D55-D59 PolarHBondContact O-N 3.06Å
56	F	98.4	Very high	96.7	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-53.5	175.2	172.6	-98.6	0	0	0	111.9	T52 F53 R58 Q60 H61 M157 L161 H165	T52-F56 WeakPolarHBondContact O-CB 3.49Å; T52-F56 PolarHBondContact O-N 3.28Å; F53-F56 PolarHBondContact O-N 3.47Å; F56-R58 PolarHBondContact O-N 3.01Å; F56-Q60 HydrophobicContact CD2-CG 4.3Å; F56-Q60 VanDerWaalsContact O-CB 3.28Å; F56-Q60 WeakPolarHBondContact O-CB 3.44Å; F56-Q60 PolarHBondContact O-N 3.19Å; F56-H61 AromaticContact CE1-CD2 3.47Å; F56-H61 VanDerWaalsContact CE1-CD2 3.47Å; F56-H61 WeakPolarHBondContact CE1-CD2 3.5Å; F56-H61 AromaticContact CE1-NE2 3.62Å; F56-H61 AromaticContact CE2-NE2 3.76Å; F56-H61 AromaticContact CZ-CD2 3.54Å; F56-H61 AromaticContact CZ-NE2 3.18Å; F56-H61 WeakPolarHBondContact CZ-NE2 3.43Å; F56-M157 HydrophobicContact CE1-CB 4.35Å; F56-L161 HydrophobicContact CB-CD1 3.96Å; F56-L161 HydrophobicContact CD1-CB 4.2Å; F56-L161 HydrophobicContact CD1-CD1 3.95Å; F56-L161 HydrophobicContact CD1-CD2 3.96Å; F56-L161 HydrophobicContact CD1-CG 4.25Å; F56-L161 HydrophobicContact CD2-CD1 4.07Å; F56-L161 HydrophobicContact CE1-CB 3.87Å; F56-L161 HydrophobicContact CE1-CD1 4.46Å; F56-L161 HydrophobicContact CE1-CD2 4.3Å; F56-L161 HydrophobicContact CE1-CG 4.42Å; F56-L161 HydrophobicContact CE2-CB 4.45Å; F56-L161 HydrophobicContact CG-CD1 3.74Å; F56-L161 HydrophobicContact CZ-CB 4.01Å; F56-H165 AromaticContact CD2-CD2 3.69Å; F56-H165 AromaticContact CD2-CE1 3.87Å; F56-H165 AromaticContact CD2-NE2 3.62Å; F56-H165 AromaticContact CE2-CD2 3.56Å; F56-H165 AromaticContact CE2-NE2 3.59Å
57	F	98.4	Very high	96.5	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-66.9	-38.7	-179.1	-82.2	-73.5	0	0	0	112.5	F53 H61 Q62 H63 A110 S143 M157 L161 W255	F53-F57 HydrophobicContact CD1-CD2 4.19Å; F53-F57 HydrophobicContact CD2-CD2 4.11Å; F53-F57 AromaticContact CD2-CE2 3.83Å; F53-F57 HydrophobicContact CD2-CE2 3.83Å; F53-F57 AromaticContact CE1-CD2 3.89Å; F53-F57 HydrophobicContact CE1-CD2 3.89Å; F53-F57 HydrophobicContact CE1-CE2 4.17Å; F53-F57 AromaticContact CE2-CD2 3.85Å; F53-F57 HydrophobicContact CE2-CD2 3.85Å; F53-F57 AromaticContact CE2-CE2 3.32Å; F53-F57 HydrophobicContact CE2-CE2 3.32Å; F53-F57 HydrophobicContact CE2-CZ 4.34Å; F53-F57 HydrophobicContact CG-CD2 4.29Å; F53-F57 HydrophobicContact CG-CE2 4.46Å; F53-F57 AromaticContact CZ-CD2 3.71Å; F53-F57 HydrophobicContact CZ-CD2 3.71Å; F53-F57 AromaticContact CZ-CE2 3.49Å; F53-F57 HydrophobicContact CZ-CE2 3.49Å; F53-F57 VanDerWaalsContact CZ-CE2 3.49Å; F53-F57 HydrophobicContact CZ-CZ 4.45Å; F53-F57 WeakPolarHBondContact O-CD2 3.38Å; F53-F57 PolarHBondContact O-N 2.99Å; F53-F57 VanDerWaalsContact O-N 3.16Å; F57-H61 HydrophobicContact CD1-CB 4.45Å; F57-H61 CarbonylContact O-C 3.47Å; F57-H61 PolarHBondContact O-N 3.43Å; F57-Q62 PolarHBondContact O-N 3.47Å; F57-H63 HydrophobicContact CB-CB 3.97Å; F57-H63 AromaticContact CD1-CD2 3.92Å; F57-H63 AromaticContact CD1-CE1 3.58Å; F57-H63 AromaticContact CD1-CG 3.89Å; F57-H63 AromaticContact CD1-ND1 3.68Å; F57-H63 AromaticContact CD1-NE2 3.73Å; F57-H63 PolarHBondContact O-N 3.01Å; F57-A110 HydrophobicContact CB-CB 3.93Å; F57-A110 HydrophobicContact CG-CB 4.34Å; F57-S143 VanDerWaalsContact CE1-CB 3.45Å; F57-S143 WeakPolarHBondContact CE1-OG 3.37Å; F57-S143 WeakPolarHBondContact CZ-OG 3.27Å; F57-M157 HydrophobicContact CD1-SD 4.42Å; F57-M157 HydrophobicContact CE1-CB 4.42Å; F57-M157 HydrophobicContact CE1-SD 3.92Å; F57-L161 HydrophobicContact CE2-CD2 3.96Å; F57-W255 HydrophobicContact CE2-CH2 4.22Å; F57-W255 HydrophobicContact CE2-CZ2 4.34Å; F57-W255 HydrophobicContact CZ-CH2 4.12Å; F57-W255 HydrophobicContact CZ-CZ2 4.17Å
58	R	97.8	Very high	96.4	Very high	96 Å²	96	56.6 Å²	56.6	36%	0.362	28%	0.277	S	S	.	.	H	α-helix	trans	-66.2	-53.9	176.2	-175.4	-171.5	67.4	-129.4	-9	112.1	L54 D55 F56 Q62 L65	L54-R58 VanDerWaalsContact O-CB 3.25Å; L54-R58 WeakPolarHBondContact O-CB 3.49Å; L54-R58 PolarHBondContact O-N 3.41Å; D55-R58 VanDerWaalsContact CG-NH2 3.32Å; D55-R58 IonicContact OD1-CZ 3.04Å; D55-R58 IonicContact OD1-NH1 3.21Å; D55-R58 PolarHBondContact OD1-NH1 3.48Å; D55-R58 IonicContact OD1-NH2 3.28Å; D55-R58 PolarHBondContact OD1-NH2 2.92Å; F56-R58 PolarHBondContact O-N 3.01Å; R58-Q62 WeakPolarHBondContact O-CA 3.5Å; R58-Q62 PolarHBondContact O-N 3.13Å; R58-L65 HydrophobicContact CB-CD1 4.17Å; R58-L65 HydrophobicContact CB-CD2 4.15Å; R58-L65 HydrophobicContact CB-CG 4.06Å; R58-L65 HydrophobicContact CG-CD1 4.41Å; R58-L65 HydrophobicContact CG-CG 4.31Å
59	D	97.2	Very high	96.2	Very high	105 Å²	105	52.3 Å²	52.3	56%	0.561	26%	0.258	S	S	*	.	H	α-helix	trans	-86.3	-28.6	-165.7	-60.6	-25.9	0	0	0	112.8	D55	D55-D59 WeakPolarHBondContact O-CB 3.45Å; D55-D59 VanDerWaalsContact O-CG 3.32Å; D55-D59 PolarHBondContact O-N 3.06Å
60	Q	96.2	Very high	95.9	Very high	102 Å²	102	53.1 Å²	53.1	48%	0.477	26%	0.263	S	S	.	.	H	α-helix	trans	-101.4	-31	-179.2	-57	-162.5	-1.9	0	0	114	F56 H165	F56-Q60 HydrophobicContact CD2-CG 4.3Å; F56-Q60 VanDerWaalsContact O-CB 3.28Å; F56-Q60 WeakPolarHBondContact O-CB 3.44Å; F56-Q60 PolarHBondContact O-N 3.19Å; Q60-H165 PolarHBondContact NE2-CE1 2.98Å; Q60-H165 PolarHBondContact NE2-NE2 3.17Å; Q60-H165 VanDerWaalsContact NE2-NE2 3.17Å; Q60-H165 PolarHBondContact OE1-NE2 2.88Å
61	H	96.7	Very high	95.6	Very high	37 Å²	37	52.3 Å²	52.3	17%	0.171	26%	0.26	C	S	.	.	H	α-helix	trans	-120.2	3.7	-172.2	-62.8	-68.7	0	0	0	114.5	F56 F57 H63 R108 M157	F56-H61 AromaticContact CE1-CD2 3.47Å; F56-H61 VanDerWaalsContact CE1-CD2 3.47Å; F56-H61 WeakPolarHBondContact CE1-CD2 3.5Å; F56-H61 AromaticContact CE1-NE2 3.62Å; F56-H61 AromaticContact CE2-NE2 3.76Å; F56-H61 AromaticContact CZ-CD2 3.54Å; F56-H61 AromaticContact CZ-NE2 3.18Å; F56-H61 WeakPolarHBondContact CZ-NE2 3.43Å; F57-H61 HydrophobicContact CD1-CB 4.45Å; F57-H61 CarbonylContact O-C 3.47Å; F57-H61 PolarHBondContact O-N 3.43Å; H61-H63 WeakPolarHBondContact CB-ND1 3.4Å; H61-H63 PolarHBondContact O-N 3.1Å; H61-H63 PolarHBondContact O-ND1 2.95Å; H61-R108 WeakPolarHBondContact O-CD 3.34Å; H61-R108 PolarHBondContact O-NH1 3.24Å; H61-R108 VanDerWaalsContact O-NH1 3.16Å; H61-M157 HydrophobicContact CB-SD 3.79Å; H61-M157 VanDerWaalsContact CE1-CG 3.46Å; H61-M157 WeakPolarHBondContact CE1-CG 3.28Å; H61-M157 PolarHBondContact ND1-SD 3.08Å; H61-M157 VanDerWaalsContact ND1-SD 3.39Å
62	Q	96.4	Very high	95.2	Very high	164 Å²	164	49.6 Å²	49.6	77%	0.766	25%	0.25	S	S	*	.			trans	61.3	27.5	174	-55.5	-178.8	-30.9	0	0	114.1	F57 R58	F57-Q62 PolarHBondContact O-N 3.47Å; R58-Q62 WeakPolarHBondContact O-CA 3.5Å; R58-Q62 PolarHBondContact O-N 3.13Å
63	H	98	Very high	94.4	Very high	4 Å²	4	49 Å²	49	2%	0.019	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.2	136.8	172	-68.1	57.2	0	0	0	110.5	F57 H61 L65 R108 V109 A110 Y149	F57-H63 HydrophobicContact CB-CB 3.97Å; F57-H63 AromaticContact CD1-CD2 3.92Å; F57-H63 AromaticContact CD1-CE1 3.58Å; F57-H63 AromaticContact CD1-CG 3.89Å; F57-H63 AromaticContact CD1-ND1 3.68Å; F57-H63 AromaticContact CD1-NE2 3.73Å; F57-H63 PolarHBondContact O-N 3.01Å; H61-H63 WeakPolarHBondContact CB-ND1 3.4Å; H61-H63 PolarHBondContact O-N 3.1Å; H61-H63 PolarHBondContact O-ND1 2.95Å; H63-L65 PolarHBondContact O-N 3.36Å; H63-R108 HydrophobicContact CB-CB 4.31Å; H63-V109 PolarHBondContact CD2-O 2.83Å; H63-A110 HydrophobicContact CB-CB 4.04Å; H63-Y149 AromaticContact CE1-CE1 3.64Å; H63-Y149 AromaticContact NE2-CE1 3.44Å; H63-Y149 WeakPolarHBondContact NE2-CE1 3.31Å; H63-Y149 AromaticContact NE2-CZ 3.57Å; H63-Y149 PolarHBondContact NE2-OH 2.82Å
64	L	97.1	Very high	93.2	Very high	80 Å²	80	54.5 Å²	54.5	42%	0.419	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	124.9	170	175.7	67	0	0	0	109.4	V66 R108 V109 A110	L64-V66 HydrophobicContact CD2-CG1 4.1Å; L64-V66 HydrophobicContact CG-CG1 4.09Å; L64-V66 PolarHBondContact O-N 2.9Å; L64-R108 PolarHBondContact N-O 3.16Å; L64-V109 HydrophobicContact CB-CG1 4.25Å; L64-V109 CarbonylContact O-C 3.59Å; L64-V109 VanDerWaalsContact O-CA 3.22Å; L64-V109 WeakPolarHBondContact O-CA 3.33Å; L64-A110 PolarHBondContact O-N 3.34Å
65	L	96.6	Very high	91.5	Very high	60 Å²	60	57.1 Å²	57.1	31%	0.314	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	120.1	172.8	-57.5	-172.1	0	0	0	109.6	L54 R58 H63 A110	L54-L65 HydrophobicContact CB-CD1 4.11Å; L54-L65 HydrophobicContact CB-CD2 4.17Å; L54-L65 HydrophobicContact CD2-CD2 4.03Å; R58-L65 HydrophobicContact CB-CD1 4.17Å; R58-L65 HydrophobicContact CB-CD2 4.15Å; R58-L65 HydrophobicContact CB-CG 4.06Å; R58-L65 HydrophobicContact CG-CD1 4.41Å; R58-L65 HydrophobicContact CG-CG 4.31Å; H63-L65 PolarHBondContact O-N 3.36Å; L65-A110 WeakPolarHBondContact CA-O 3.42Å; L65-A110 HydrophobicContact CD2-CB 4.07Å
66	V	93.3	Very high	90.2	Very high	15 Å²	15	56.8 Å²	56.8	9%	0.091	30%	0.301	C	S	.	.			trans	-113.8	148.6	178.6	-61.7	0	0	0	0	110.5	L64 F89 W106 V109 A110 N111	L64-V66 HydrophobicContact CD2-CG1 4.1Å; L64-V66 HydrophobicContact CG-CG1 4.09Å; L64-V66 PolarHBondContact O-N 2.9Å; V66-F89 HydrophobicContact CG2-CE1 4.32Å; V66-F89 HydrophobicContact CG2-CZ 3.93Å; V66-W106 HydrophobicContact CG1-CH2 4.4Å; V66-W106 HydrophobicContact CG1-CZ2 4.05Å; V66-V109 HydrophobicContact CG1-CB 4.23Å; V66-V109 HydrophobicContact CG1-CG1 3.94Å; V66-V109 HydrophobicContact CG2-CB 4.2Å; V66-A110 PolarHBondContact N-O 3.02Å; V66-N111 HydrophobicContact CG2-CB 4.15Å; V66-N111 WeakPolarHBondContact O-CB 3.39Å
67	P	90.2	Very high	88.7	Confident	112 Å²	112	62.8 Å²	62.8	73%	0.727	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-62.1	153.8	175.7	-22.6	34.1	0	0	0	112.6	A69 N111	P67-A69 PolarHBondContact O-N 3.36Å; P67-N111 PolarHBondContact O-ND2 3.47Å
68	S	91.9	Very high	87.2	Confident	20 Å²	20	66.1 Å²	66.1	14%	0.14	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-61.6	132.9	167.2	177.2	0	0	0	0	109.9	S112 Q113 R114	S68-S112 WeakPolarHBondContact CB-O 3.45Å; S68-Q113 PolarHBondContact OG-NE2 3.35Å; S68-Q113 PolarHBondContact OG-OE1 3.13Å; S68-R114 PolarHBondContact OG-N 3.23Å; S68-R114 VanDerWaalsContact OG-N 3.11Å; S68-R114 PolarHBondContact OG-NE 3.49Å
69	A	90.7	Very high	86.3	Confident	7 Å²	7	62.8 Å²	62.8	6%	0.058	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-64.1	154.4	164.3	0	0	0	0	0	110.6	P67 Q88 Q113	P67-A69 PolarHBondContact O-N 3.36Å; A69-Q88 HydrophobicContact CB-CB 3.74Å; A69-Q88 HydrophobicContact CB-CG 4.49Å; A69-Q113 PolarHBondContact O-NE2 2.86Å
70	P	90.3	Very high	85.6	Confident	17 Å²	17	61 Å²	61	11%	0.11	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-60.1	155.7	169.5	-24	36.6	0	0	0	111.6	R72 V82 D351 D722	P70-R72 PolarHBondContact O-N 3.49Å; P70-V82 WeakPolarHBondContact O-CG2 3.48Å; P70-D351 VanDerWaalsContact CA-OD2 3.32Å; P70-D351 WeakPolarHBondContact CA-OD2 3.38Å; P70-D351 HydrophobicContact CB-CB 4.07Å; P70-D722 WeakPolarHBondContact CG-OD2 3.35Å
71	V	91.4	Very high	85.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-68.1	-13.1	176.5	-60.5	0	0	0	0	113.2	P73 F81 V82 R114 V116 V347 C348 D351	V71-P73 WeakPolarHBondContact O-CD 3.47Å; V71-F81 HydrophobicContact CG2-CD1 4.43Å; V71-F81 CarbonylContact O-C 3.54Å; V71-F81 VanDerWaalsContact O-CA 3.31Å; V71-F81 WeakPolarHBondContact O-CA 3.43Å; V71-V82 PolarHBondContact O-N 3.27Å; V71-R114 HydrophobicContact CG1-CB 3.82Å; V71-V116 HydrophobicContact CB-CG2 4.09Å; V71-V116 HydrophobicContact CG1-CG2 3.87Å; V71-V347 HydrophobicContact CG1-CG1 3.67Å; V71-C348 HydrophobicContact CG2-CB 4.42Å; V71-D351 HydrophobicContact CG2-CB 3.94Å; V71-D351 PolarHBondContact N-OD2 2.8Å
72	R	85.7	Confident	85.1	Confident	110 Å²	110	54.9 Å²	54.9	42%	0.415	32%	0.315	S	S	.	.	S	Bend	trans	-79.4	121.1	170.9	-176.7	-176.9	-179.6	-172	-0.4	109.7	P70 R74 V353	P70-R72 PolarHBondContact O-N 3.49Å; R72-R74 PolarHBondContact O-N 3.02Å; R72-V353 HydrophobicContact CB-CG2 4.14Å
73	P	81.3	Confident	84.8	Confident	23 Å²	23	47.8 Å²	47.8	15%	0.149	28%	0.282	C	S	.	.			trans	-62.2	134.1	176.8	-22.5	34.4	0	0	0	111.9	V71 D76 L79 V82	V71-P73 WeakPolarHBondContact O-CD 3.47Å; P73-D76 HydrophobicContact CB-CB 4.11Å; P73-L79 HydrophobicContact CB-CB 4.15Å; P73-L79 HydrophobicContact CG-CB 3.64Å; P73-V82 HydrophobicContact CG-CG2 4.41Å
74	R	73.8	Confident	84.5	Confident	115 Å²	115	47.7 Å²	47.7	43%	0.434	28%	0.282	S	S	.	.	S	Bend	trans	-87.7	113.5	174.9	-67.8	-177.4	-177.9	148.5	-1	109.9	R72 D76 D722	R72-R74 PolarHBondContact O-N 3.02Å; R74-D76 PolarHBondContact O-N 3.12Å; R74-D722 IonicContact CZ-OD1 3.34Å; R74-D722 VanDerWaalsContact CZ-OD1 3.29Å; R74-D722 IonicContact NE-OD1 3.96Å; R74-D722 PolarHBondContact NE-OD1 2.76Å; R74-D722 IonicContact NH2-OD1 3.7Å; R74-D722 PolarHBondContact NH2-OD1 3.25Å
75	G	62.8	Low	84.2	Confident	88 Å²	88	43.9 Å²	43.9	91%	0.907	26%	0.262	S	S	*	.	S	Bend	trans	65.3	18.5	172.3	0	0	0	0	0	115.2
76	D	70.3	Confident	84	Confident	31 Å²	31	41 Å²	41	17%	0.166	25%	0.247	C	C	.	.			trans	-117.4	101.6	-179.8	-171.3	-12.6	0	0	0	110.8	P73 R74 S78 L79 K90	P73-D76 HydrophobicContact CB-CB 4.11Å; R74-D76 PolarHBondContact O-N 3.12Å; D76-S78 PolarHBondContact O-N 2.58Å; D76-S78 WeakPolarHBondContact OD1-CB 3.26Å; D76-S78 PolarHBondContact OD1-N 3.04Å; D76-S78 PolarHBondContact OD1-OG 3.29Å; D76-L79 WeakPolarHBondContact OD2-CD1 3.48Å; D76-K90 IonicContact OD1-NZ 3.3Å; D76-K90 IonicContact OD2-NZ 3.55Å; D76-K90 PolarHBondContact OD2-NZ 2.9Å
77	P	65.6	Low	83.9	Confident	132 Å²	132	41 Å²	41	86%	0.857	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.8	-179.7	31.8	-34.9	0	0	0	113.2	L79	P77-L79 VanDerWaalsContact C-N 3.31Å
78	S	68.9	Low	83.8	Confident	71 Å²	71	37.3 Å²	37.3	50%	0.497	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13	-178.9	70.8	0	0	0	0	113.4	D76	D76-S78 PolarHBondContact O-N 2.58Å; D76-S78 WeakPolarHBondContact OD1-CB 3.26Å; D76-S78 PolarHBondContact OD1-N 3.04Å; D76-S78 PolarHBondContact OD1-OG 3.29Å
79	L	77.5	Confident	83.8	Confident	25 Å²	25	36.4 Å²	36.4	13%	0.131	21%	0.213	C	C	.	.			trans	-118.7	138.8	-174.9	-69	175.4	0	0	0	112.1	P73 D76 P77 N87 M218	P73-L79 HydrophobicContact CB-CB 4.15Å; P73-L79 HydrophobicContact CG-CB 3.64Å; D76-L79 WeakPolarHBondContact OD2-CD1 3.48Å; P77-L79 VanDerWaalsContact C-N 3.31Å; L79-N87 HydrophobicContact CD1-CB 4.28Å; L79-N87 WeakPolarHBondContact CD1-ND2 3.28Å; L79-M218 HydrophobicContact CD1-SD 3.75Å; L79-M218 HydrophobicContact CD2-SD 3.66Å; L79-M218 HydrophobicContact CG-SD 3.92Å
80	L	83.1	Confident	83.7	Confident	67 Å²	67	37.1 Å²	37.1	35%	0.351	22%	0.215	S	C	.	.	S	Bend	trans	-80.9	-40.4	168.8	-63.8	-178.7	0	0	0	111.5	S360 V363	L80-S360 WeakPolarHBondContact O-CB 3.27Å; L80-V363 HydrophobicContact CD1-CG2 4.05Å
81	F	89.9	Confident	83.5	Confident	6 Å²	6	38.5 Å²	38.5	3%	0.026	22%	0.224	C	C	.	.	S	Bend	trans	-138.6	157.3	178.8	-62.3	-80.7	0	0	0	110.3	V71 N83 V116 V353 S360 V363	V71-F81 HydrophobicContact CG2-CD1 4.43Å; V71-F81 CarbonylContact O-C 3.54Å; V71-F81 VanDerWaalsContact O-CA 3.31Å; V71-F81 WeakPolarHBondContact O-CA 3.43Å; F81-N83 PolarHBondContact O-N 2.94Å; F81-V116 HydrophobicContact CB-CB 3.84Å; F81-V116 HydrophobicContact CB-CG1 4.17Å; F81-V116 HydrophobicContact CD1-CB 4.21Å; F81-V116 HydrophobicContact CD1-CG1 4.14Å; F81-V116 HydrophobicContact CD2-CG1 3.92Å; F81-V116 HydrophobicContact CE2-CG1 4.32Å; F81-V116 HydrophobicContact CG-CB 3.96Å; F81-V116 HydrophobicContact CG-CG1 3.82Å; F81-V353 HydrophobicContact CE1-CG1 4.11Å; F81-S360 WeakPolarHBondContact CZ-O 3.43Å; F81-V363 HydrophobicContact CE2-CB 3.92Å; F81-V363 HydrophobicContact CE2-CG1 3.97Å; F81-V363 HydrophobicContact CE2-CG2 4.36Å; F81-V363 HydrophobicContact CZ-CB 4.39Å
82	V	91.4	Very high	83.5	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.03	23%	0.231	C	C	.	.			trans	-64.2	112.6	163.6	173	0	0	0	0	107.8	P70 V71 P73 A84 N87 Q113 C115 V116	P70-V82 WeakPolarHBondContact O-CG2 3.48Å; V71-V82 PolarHBondContact O-N 3.27Å; P73-V82 HydrophobicContact CG-CG2 4.41Å; V82-A84 WeakPolarHBondContact CG1-O 3.39Å; V82-N87 HydrophobicContact CG1-CB 4.15Å; V82-N87 HydrophobicContact CG2-CB 4.47Å; V82-Q113 HydrophobicContact CG1-CG 4.19Å; V82-C115 WeakPolarHBondContact O-CA 3.32Å; V82-V116 PolarHBondContact O-N 2.95Å
83	N	90.8	Very high	83.7	Confident	16 Å²	16	35.2 Å²	35.2	9%	0.086	22%	0.215	C	C	.	.			trans	-108	-10.6	-174.5	64.2	-3.7	0	0	0	113	F81 N87 R117	F81-N83 PolarHBondContact O-N 2.94Å; N83-N87 PolarHBondContact N-OD1 3.33Å; N83-N87 PolarHBondContact OD1-ND2 3.38Å; N83-N87 PolarHBondContact OD1-OD1 3.08Å; N83-R117 HydrophobicContact CB-CG 4.31Å; N83-R117 PolarHBondContact O-NE 3.3Å
84	A	91.7	Very high	84	Confident	2 Å²	2	35.8 Å²	35.8	2%	0.017	22%	0.217	C	C	.	.	S	Bend	trans	-146.4	154.9	178.8	0	0	0	0	0	111.5	V82 M86 N87 M140 W216	V82-A84 WeakPolarHBondContact CG1-O 3.39Å; A84-M86 HydrophobicContact CB-CG 4.32Å; A84-M86 PolarHBondContact O-N 2.97Å; A84-N87 PolarHBondContact N-OD1 3.04Å; A84-N87 PolarHBondContact O-N 2.97Å; A84-N87 PolarHBondContact O-OD1 3.39Å; A84-M140 HydrophobicContact CB-CE 4.45Å; A84-M140 HydrophobicContact CB-SD 4.48Å; A84-W216 HydrophobicContact CB-CH2 4.04Å; A84-W216 HydrophobicContact CB-CZ2 3.8Å
85	G	91.8	Very high	84.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-56.8	-37.1	178.4	0	0	0	0	0	113.9	N87 Q88 M140	G85-N87 VanDerWaalsContact C-N 3.32Å; G85-N87 PolarHBondContact O-N 3.02Å; G85-Q88 PolarHBondContact O-NE2 3Å; G85-M140 PolarHBondContact N-SD 3.05Å
86	M	91.5	Very high	85.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-70.3	-17.3	-177.2	72.7	74.6	52.1	0	0	115.8	A84 Q88 F89 K90 L93 W216 M218 P223 I260 D279	A84-M86 HydrophobicContact CB-CG 4.32Å; A84-M86 PolarHBondContact O-N 2.97Å; M86-Q88 PolarHBondContact O-N 2.92Å; M86-Q88 VanDerWaalsContact O-N 3.12Å; M86-F89 WeakPolarHBondContact O-CA 3.33Å; M86-F89 PolarHBondContact O-N 3.18Å; M86-K90 HydrophobicContact CE-CG 3.92Å; M86-K90 PolarHBondContact O-N 3.18Å; M86-K90 HydrophobicContact SD-CG 4.36Å; M86-L93 HydrophobicContact CE-CD1 3.15Å; M86-W216 HydrophobicContact CG-CH2 3.56Å; M86-W216 HydrophobicContact CG-CZ3 3.89Å; M86-W216 HydrophobicContact SD-CH2 3.93Å; M86-W216 HydrophobicContact SD-CZ3 4.15Å; M86-M218 HydrophobicContact SD-CB 4.35Å; M86-M218 HydrophobicContact SD-CG 4.19Å; M86-P223 HydrophobicContact CE-CB 4.34Å; M86-P223 HydrophobicContact CE-CG 4.41Å; M86-I260 HydrophobicContact CE-CD1 4.38Å; M86-D279 HydrophobicContact CB-CB 4.36Å; M86-D279 VanDerWaalsContact CB-OD2 3.3Å; M86-D279 WeakPolarHBondContact CB-OD2 3.28Å; M86-D279 VanDerWaalsContact CG-OD2 3.28Å; M86-D279 WeakPolarHBondContact CG-OD2 3.3Å
87	N	90.6	Very high	86.5	Confident	13 Å²	13	29.3 Å²	29.3	7%	0.07	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-57.5	-36.9	-172.7	-63.4	123.6	0	0	0	111.8	L79 V82 N83 A84 G85 F89 K90 M218	L79-N87 HydrophobicContact CD1-CB 4.28Å; L79-N87 WeakPolarHBondContact CD1-ND2 3.28Å; V82-N87 HydrophobicContact CG1-CB 4.15Å; V82-N87 HydrophobicContact CG2-CB 4.47Å; N83-N87 PolarHBondContact N-OD1 3.33Å; N83-N87 PolarHBondContact OD1-ND2 3.38Å; N83-N87 PolarHBondContact OD1-OD1 3.08Å; A84-N87 PolarHBondContact N-OD1 3.04Å; A84-N87 PolarHBondContact O-N 2.97Å; A84-N87 PolarHBondContact O-OD1 3.39Å; G85-N87 VanDerWaalsContact C-N 3.32Å; G85-N87 PolarHBondContact O-N 3.02Å; N87-F89 PolarHBondContact O-N 3.48Å; N87-K90 PolarHBondContact O-N 2.91Å; N87-M218 VanDerWaalsContact ND2-CG 3.28Å; N87-M218 WeakPolarHBondContact ND2-CG 3.42Å
88	Q	88.4	Confident	87.3	Confident	36 Å²	36	24.8 Å²	24.8	17%	0.168	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-68	-22	178	74.3	-165.3	-64.8	0	0	113.3	A69 G85 M86 M103 N111	A69-Q88 HydrophobicContact CB-CB 3.74Å; A69-Q88 HydrophobicContact CB-CG 4.49Å; G85-Q88 PolarHBondContact O-NE2 3Å; M86-Q88 PolarHBondContact O-N 2.92Å; M86-Q88 VanDerWaalsContact O-N 3.12Å; Q88-M103 WeakPolarHBondContact O-CE 3.31Å; Q88-N111 PolarHBondContact NE2-ND2 3.15Å
89	F	91.4	Very high	88	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-99.5	2.4	-177	-52.6	-62.6	0	0	0	113.8	V66 M86 N87 P91 V92 L93 M103 W106 V109 W144 F146	V66-F89 HydrophobicContact CG2-CE1 4.32Å; V66-F89 HydrophobicContact CG2-CZ 3.93Å; M86-F89 WeakPolarHBondContact O-CA 3.33Å; M86-F89 PolarHBondContact O-N 3.18Å; N87-F89 PolarHBondContact O-N 3.48Å; F89-P91 VanDerWaalsContact C-CD 3.48Å; F89-P91 VanDerWaalsContact C-N 3.29Å; F89-V92 WeakPolarHBondContact O-CB 3.35Å; F89-V92 PolarHBondContact O-N 3.04Å; F89-L93 PolarHBondContact O-N 2.9Å; F89-L93 VanDerWaalsContact O-N 3.09Å; F89-M103 HydrophobicContact CB-CE 4.35Å; F89-M103 HydrophobicContact CD1-CE 3.78Å; F89-W106 AromaticContact CD1-CE3 3.91Å; F89-W106 HydrophobicContact CD1-CE3 3.91Å; F89-W106 AromaticContact CD1-CZ3 3.81Å; F89-W106 HydrophobicContact CD1-CZ3 3.81Å; F89-W106 AromaticContact CE1-CE3 3.72Å; F89-W106 HydrophobicContact CE1-CE3 3.72Å; F89-W106 AromaticContact CE1-CZ3 3.48Å; F89-W106 HydrophobicContact CE1-CZ3 3.48Å; F89-W106 VanDerWaalsContact CE1-CZ3 3.48Å; F89-V109 HydrophobicContact CE1-CG2 3.9Å; F89-V109 HydrophobicContact CE2-CG2 4.31Å; F89-V109 HydrophobicContact CZ-CG2 3.8Å; F89-W144 AromaticContact CD2-CD2 3.76Å; F89-W144 HydrophobicContact CD2-CD2 3.76Å; F89-W144 AromaticContact CD2-CE2 3.84Å; F89-W144 HydrophobicContact CD2-CE3 4.3Å; F89-W144 AromaticContact CD2-CG 3.94Å; F89-W144 HydrophobicContact CD2-CG 3.94Å; F89-W144 HydrophobicContact CD2-CZ2 4.47Å; F89-W144 AromaticContact CD2-NE1 3.98Å; F89-W144 AromaticContact CE2-CD2 3.38Å; F89-W144 HydrophobicContact CE2-CD2 3.38Å; F89-W144 AromaticContact CE2-CE2 3.61Å; F89-W144 AromaticContact CE2-CE3 3.47Å; F89-W144 HydrophobicContact CE2-CE3 3.47Å; F89-W144 VanDerWaalsContact CE2-CE3 3.47Å; F89-W144 HydrophobicContact CE2-CG 4.01Å; F89-W144 AromaticContact CE2-CH2 3.98Å; F89-W144 HydrophobicContact CE2-CH2 3.98Å; F89-W144 AromaticContact CE2-CZ2 3.96Å; F89-W144 HydrophobicContact CE2-CZ2 3.96Å; F89-W144 AromaticContact CE2-CZ3 3.73Å; F89-W144 HydrophobicContact CE2-CZ3 3.73Å; F89-W144 HydrophobicContact CZ-CD2 4.29Å; F89-W144 HydrophobicContact CZ-CE3 4Å; F89-W144 HydrophobicContact CZ-CZ3 4.22Å; F89-F146 HydrophobicContact CB-CE1 3.87Å; F89-F146 HydrophobicContact CB-CZ 3.67Å; F89-F146 HydrophobicContact CD1-CE2 4.38Å; F89-F146 AromaticContact CD1-CZ 3.82Å; F89-F146 HydrophobicContact CD1-CZ 3.82Å; F89-F146 HydrophobicContact CD2-CZ 4.17Å; F89-F146 HydrophobicContact CG-CE1 4.3Å; F89-F146 AromaticContact CG-CZ 3.62Å; F89-F146 HydrophobicContact CG-CZ 3.62Å
90	K	88.7	Confident	88.3	Confident	22 Å²	22	27.5 Å²	27.5	10%	0.096	15%	0.151	C	C	.	.	H	α-helix	trans	-46	-46.7	174.2	-85.8	-177.5	159.9	-171.4	0	113.3	D76 M86 N87 V92 L93 L94 M218	D76-K90 IonicContact OD1-NZ 3.3Å; D76-K90 IonicContact OD2-NZ 3.55Å; D76-K90 PolarHBondContact OD2-NZ 2.9Å; M86-K90 HydrophobicContact CE-CG 3.92Å; M86-K90 PolarHBondContact O-N 3.18Å; M86-K90 HydrophobicContact SD-CG 4.36Å; N87-K90 PolarHBondContact O-N 2.91Å; K90-V92 PolarHBondContact O-N 3.48Å; K90-L93 PolarHBondContact O-N 3.45Å; K90-L94 HydrophobicContact CB-CD1 4.44Å; K90-L94 VanDerWaalsContact O-CB 3.29Å; K90-L94 WeakPolarHBondContact O-CB 3.23Å; K90-L94 VanDerWaalsContact O-CG 3.24Å; K90-L94 WeakPolarHBondContact O-CG 3.43Å; K90-L94 PolarHBondContact O-N 2.91Å; K90-M218 PolarHBondContact NZ-SD 3.3Å; K90-M218 VanDerWaalsContact NZ-SD 3.4Å
91	P	87.8	Confident	88.3	Confident	46 Å²	46	24.5 Å²	24.5	30%	0.299	14%	0.136	S	C	.	.	H	α-helix	trans	-61	-29.8	179	-25.7	35.8	0	0	0	114.7	F89 G95 T96 V97	F89-P91 VanDerWaalsContact C-CD 3.48Å; F89-P91 VanDerWaalsContact C-N 3.29Å; P91-G95 CarbonylContact O-C 3.55Å; P91-G95 PolarHBondContact O-N 3.49Å; P91-G95 VanDerWaalsContact O-N 3.12Å; P91-T96 WeakPolarHBondContact CA-OG1 3.36Å; P91-T96 PolarHBondContact O-N 3.34Å; P91-V97 HydrophobicContact CB-CB 4.08Å; P91-V97 PolarHBondContact O-N 3.36Å
92	V	90.3	Very high	88	Confident	27 Å²	27	29.6 Å²	29.6	16%	0.164	16%	0.16	C	C	.	.	H	α-helix	trans	-74.8	-48	176.3	176.1	0	0	0	0	110	F89 K90 L94 G95 V97 M103 F146	F89-V92 WeakPolarHBondContact O-CB 3.35Å; F89-V92 PolarHBondContact O-N 3.04Å; K90-V92 PolarHBondContact O-N 3.48Å; V92-L94 PolarHBondContact O-N 2.92Å; V92-G95 PolarHBondContact O-N 3.19Å; V92-G95 VanDerWaalsContact O-N 3.09Å; V92-V97 HydrophobicContact CG2-CB 4.43Å; V92-V97 HydrophobicContact CG2-CG2 4.46Å; V92-M103 HydrophobicContact CB-CE 4.48Å; V92-M103 HydrophobicContact CG2-CE 3.51Å; V92-M103 HydrophobicContact CG2-CG 3.38Å; V92-M103 HydrophobicContact CG2-SD 4.02Å; V92-F146 HydrophobicContact CB-CD1 4.45Å; V92-F146 HydrophobicContact CB-CE1 4.48Å; V92-F146 HydrophobicContact CG1-CB 3.92Å; V92-F146 HydrophobicContact CG1-CD1 3.67Å; V92-F146 HydrophobicContact CG1-CD2 3.9Å; V92-F146 HydrophobicContact CG1-CE1 4.14Å; V92-F146 HydrophobicContact CG1-CE2 4.33Å; V92-F146 HydrophobicContact CG1-CG 3.55Å; V92-F146 HydrophobicContact CG1-CZ 4.46Å
93	L	90.1	Very high	87.9	Confident	14 Å²	14	29.8 Å²	29.8	7%	0.073	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-33.3	178.8	-63.7	169.2	0	0	0	112.7	M86 F89 K90 F146 P223 I260 S277	M86-L93 HydrophobicContact CE-CD1 3.15Å; F89-L93 PolarHBondContact O-N 2.9Å; F89-L93 VanDerWaalsContact O-N 3.09Å; K90-L93 PolarHBondContact O-N 3.45Å; L93-F146 HydrophobicContact CD2-CD1 3.95Å; L93-F146 HydrophobicContact CD2-CE1 4.05Å; L93-F146 HydrophobicContact CG-CE1 4.36Å; L93-P223 HydrophobicContact CB-CB 4.36Å; L93-P223 HydrophobicContact CB-CG 3.98Å; L93-P223 HydrophobicContact CD1-CB 4.2Å; L93-P223 HydrophobicContact CD1-CG 4.24Å; L93-I260 HydrophobicContact CD1-CD1 3.79Å; L93-I260 HydrophobicContact CD2-CD1 4.17Å; L93-I260 HydrophobicContact CD2-CG2 4.3Å; L93-S277 VanDerWaalsContact CD2-CB 3.45Å; L93-S277 WeakPolarHBondContact CD2-OG 3.48Å
94	L	87.6	Confident	87.8	Confident	35 Å²	35	30.4 Å²	30.4	18%	0.183	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.8	179.5	-62.3	174.4	0	0	0	113	K90 V92 T96 P223 N263 V506	K90-L94 HydrophobicContact CB-CD1 4.44Å; K90-L94 VanDerWaalsContact O-CB 3.29Å; K90-L94 WeakPolarHBondContact O-CB 3.23Å; K90-L94 VanDerWaalsContact O-CG 3.24Å; K90-L94 WeakPolarHBondContact O-CG 3.43Å; K90-L94 PolarHBondContact O-N 2.91Å; V92-L94 PolarHBondContact O-N 2.92Å; L94-T96 HydrophobicContact CB-CG2 4.09Å; L94-T96 PolarHBondContact O-N 2.93Å; L94-P223 HydrophobicContact CD2-CG 3.65Å; L94-P223 HydrophobicContact CG-CG 3.98Å; L94-N263 WeakPolarHBondContact CD2-OD1 3.24Å; L94-V506 HydrophobicContact CB-CG2 3.8Å; L94-V506 HydrophobicContact CD2-CG2 3.34Å; L94-V506 HydrophobicContact CG-CG2 4.16Å; L94-V506 WeakPolarHBondContact O-CG1 3.08Å; L94-V506 WeakPolarHBondContact O-CG2 3.45Å
95	G	86.9	Confident	87.7	Confident	23 Å²	23	36.9 Å²	36.9	24%	0.237	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	14.9	-176.6	0	0	0	0	0	114.9	P91 V92 G605	P91-G95 CarbonylContact O-C 3.55Å; P91-G95 PolarHBondContact O-N 3.49Å; P91-G95 VanDerWaalsContact O-N 3.12Å; V92-G95 PolarHBondContact O-N 3.19Å; V92-G95 VanDerWaalsContact O-N 3.09Å; G95-G605 WeakPolarHBondContact O-CA 3.13Å
96	T	85.7	Confident	87.7	Confident	53 Å²	53	38.9 Å²	38.9	33%	0.325	21%	0.209	S	C	.	.			trans	-89.2	-7.5	-178.2	57.8	0	0	0	0	113.6	P91 L94 L509 G605	P91-T96 WeakPolarHBondContact CA-OG1 3.36Å; P91-T96 PolarHBondContact O-N 3.34Å; L94-T96 HydrophobicContact CB-CG2 4.09Å; L94-T96 PolarHBondContact O-N 2.93Å; T96-L509 HydrophobicContact CG2-CD1 3.66Å; T96-G605 PolarHBondContact O-N 2.82Å
97	V	86.6	Confident	87.9	Confident	23 Å²	23	45.3 Å²	45.3	14%	0.139	23%	0.233	C	C	.	.	S	Bend	trans	-53.2	143.6	177.6	66.8	0	0	0	0	112.3	P91 V92 S101 M103 A104	P91-V97 HydrophobicContact CB-CB 4.08Å; P91-V97 PolarHBondContact O-N 3.36Å; V92-V97 HydrophobicContact CG2-CB 4.43Å; V92-V97 HydrophobicContact CG2-CG2 4.46Å; V97-S101 VanDerWaalsContact CG2-OG 3.28Å; V97-S101 WeakPolarHBondContact CG2-OG 3.31Å; V97-M103 HydrophobicContact CG2-CB 3.94Å; V97-M103 HydrophobicContact CG2-CG 3.83Å; V97-M103 HydrophobicContact CG2-SD 4.1Å; V97-A104 HydrophobicContact CG1-CB 4.1Å; V97-A104 HydrophobicContact CG2-CB 4.33Å
98	D	82.5	Confident	88.2	Confident	37 Å²	37	47.1 Å²	47.1	20%	0.198	24%	0.239	C	C	.	.			trans	-66.1	124.4	172.2	-170	-54.1	0	0	0	109.1	R100 S101 R603	D98-R100 PolarHBondContact O-N 2.8Å; D98-R100 VanDerWaalsContact O-N 3.09Å; D98-R100 WeakPolarHBondContact OD1-CB 3.46Å; D98-R100 PolarHBondContact OD1-N 2.97Å; D98-R100 IonicContact OD1-NE 2.67Å; D98-R100 PolarHBondContact OD1-NE 2.76Å; D98-R100 IonicContact OD2-NH2 2.67Å; D98-S101 WeakPolarHBondContact O-CB 3.28Å; D98-S101 PolarHBondContact O-N 2.84Å; D98-S101 PolarHBondContact O-OG 3.45Å; D98-R603 IonicContact OD1-NH2 2.98Å; D98-R603 IonicContact OD2-CZ 3.29Å; D98-R603 IonicContact OD2-NE 3.27Å; D98-R603 PolarHBondContact OD2-NE 3.15Å; D98-R603 IonicContact OD2-NH2 2.71Å; D98-R603 PolarHBondContact OD2-NH2 3.2Å
99	P	84.3	Confident	88.6	Confident	50 Å²	50	45.4 Å²	45.4	33%	0.325	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.7	-176.3	25.9	-35.8	0	0	0	113.7
100	R	82.3	Confident	88.9	Confident	102 Å²	102	45.4 Å²	45.4	39%	0.385	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-6.5	176.2	-58.5	173.3	-64.9	178.6	2.5	112.9	D98 P726 D727	D98-R100 PolarHBondContact O-N 2.8Å; D98-R100 VanDerWaalsContact O-N 3.09Å; D98-R100 WeakPolarHBondContact OD1-CB 3.46Å; D98-R100 PolarHBondContact OD1-N 2.97Å; D98-R100 IonicContact OD1-NE 2.67Å; D98-R100 PolarHBondContact OD1-NE 2.76Å; D98-R100 IonicContact OD2-NH2 2.67Å; R100-P726 HydrophobicContact CB-CB 3.89Å; R100-D727 PolarHBondContact O-N 3.13Å; R100-D727 VanDerWaalsContact O-O 3.14Å
101	S	84.6	Confident	89.3	Confident	4 Å²	4	44.5 Å²	44.5	3%	0.028	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-78.5	149.2	177.1	71.5	0	0	0	0	111	V97 D98 M103 A104	V97-S101 VanDerWaalsContact CG2-OG 3.28Å; V97-S101 WeakPolarHBondContact CG2-OG 3.31Å; D98-S101 WeakPolarHBondContact O-CB 3.28Å; D98-S101 PolarHBondContact O-N 2.84Å; D98-S101 PolarHBondContact O-OG 3.45Å; S101-M103 PolarHBondContact O-N 3.29Å; S101-M103 VanDerWaalsContact O-N 3.09Å; S101-A104 WeakPolarHBondContact O-CB 3.37Å; S101-A104 PolarHBondContact O-N 2.99Å
102	Q	84.2	Confident	89.7	Confident	114 Å²	114	42.8 Å²	42.8	53%	0.533	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-55.6	-30.3	174	-168.8	-177.7	9.6	0	0	112	A104 L105 W106	Q102-A104 VanDerWaalsContact C-N 3.27Å; Q102-A104 PolarHBondContact O-N 3.31Å; Q102-L105 WeakPolarHBondContact O-CB 3.28Å; Q102-L105 PolarHBondContact O-N 2.96Å; Q102-L105 VanDerWaalsContact O-N 3.13Å; Q102-W106 VanDerWaalsContact O-CD1 3.27Å; Q102-W106 PolarHBondContact O-NE1 2.97Å
103	M	88.7	Confident	90	Very high	9 Å²	9	41.5 Å²	41.5	4%	0.044	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-61.4	-31.1	178.7	-177.9	174.2	-158.5	0	0	113.6	Q88 F89 V92 V97 S101 L105 W106	Q88-M103 WeakPolarHBondContact O-CE 3.31Å; F89-M103 HydrophobicContact CB-CE 4.35Å; F89-M103 HydrophobicContact CD1-CE 3.78Å; V92-M103 HydrophobicContact CB-CE 4.48Å; V92-M103 HydrophobicContact CG2-CE 3.51Å; V92-M103 HydrophobicContact CG2-CG 3.38Å; V92-M103 HydrophobicContact CG2-SD 4.02Å; V97-M103 HydrophobicContact CG2-CB 3.94Å; V97-M103 HydrophobicContact CG2-CG 3.83Å; V97-M103 HydrophobicContact CG2-SD 4.1Å; S101-M103 PolarHBondContact O-N 3.29Å; S101-M103 VanDerWaalsContact O-N 3.09Å; M103-L105 PolarHBondContact O-N 3.41Å; M103-W106 HydrophobicContact CB-CD2 4.21Å; M103-W106 HydrophobicContact CB-CE3 4.01Å; M103-W106 HydrophobicContact CB-CH2 4Å; M103-W106 HydrophobicContact CB-CZ2 4.21Å; M103-W106 HydrophobicContact CB-CZ3 3.89Å; M103-W106 HydrophobicContact CE-CE3 4.31Å; M103-W106 HydrophobicContact CE-CZ3 3.86Å; M103-W106 HydrophobicContact CG-CD2 4.16Å; M103-W106 HydrophobicContact CG-CE3 3.53Å; M103-W106 HydrophobicContact CG-CH2 4.07Å; M103-W106 HydrophobicContact CG-CZ3 3.46Å; M103-W106 VanDerWaalsContact CG-CZ3 3.46Å; M103-W106 WeakPolarHBondContact O-CB 3.33Å; M103-W106 PolarHBondContact O-N 3.35Å; M103-W106 HydrophobicContact SD-CZ3 4.04Å
104	A	87.4	Confident	90.2	Very high	29 Å²	29	41.2 Å²	41.2	24%	0.24	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-67	-19.3	177.1	0	0	0	0	0	113.2	V97 S101 Q102	V97-A104 HydrophobicContact CG1-CB 4.1Å; V97-A104 HydrophobicContact CG2-CB 4.33Å; S101-A104 WeakPolarHBondContact O-CB 3.37Å; S101-A104 PolarHBondContact O-N 2.99Å; Q102-A104 VanDerWaalsContact C-N 3.27Å; Q102-A104 PolarHBondContact O-N 3.31Å
105	L	89.4	Confident	90.6	Very high	137 Å²	137	39.6 Å²	39.6	72%	0.717	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-91.2	-6.5	178.3	-59.1	175.6	0	0	0	113.1	Q102 M103 R107	Q102-L105 WeakPolarHBondContact O-CB 3.28Å; Q102-L105 PolarHBondContact O-N 2.96Å; Q102-L105 VanDerWaalsContact O-N 3.13Å; M103-L105 PolarHBondContact O-N 3.41Å; L105-R107 PolarHBondContact O-N 2.96Å
106	W	93.3	Very high	91	Very high	43 Å²	43	38.6 Å²	38.6	16%	0.163	19%	0.187	C	C	.	.			trans	-70	128.1	-177.1	-65.7	-9.5	0	0	0	110.8	V66 F89 Q102 M103 V109 F146	V66-W106 HydrophobicContact CG1-CH2 4.4Å; V66-W106 HydrophobicContact CG1-CZ2 4.05Å; F89-W106 AromaticContact CD1-CE3 3.91Å; F89-W106 HydrophobicContact CD1-CE3 3.91Å; F89-W106 AromaticContact CD1-CZ3 3.81Å; F89-W106 HydrophobicContact CD1-CZ3 3.81Å; F89-W106 AromaticContact CE1-CE3 3.72Å; F89-W106 HydrophobicContact CE1-CE3 3.72Å; F89-W106 AromaticContact CE1-CZ3 3.48Å; F89-W106 HydrophobicContact CE1-CZ3 3.48Å; F89-W106 VanDerWaalsContact CE1-CZ3 3.48Å; Q102-W106 VanDerWaalsContact O-CD1 3.27Å; Q102-W106 PolarHBondContact O-NE1 2.97Å; M103-W106 HydrophobicContact CB-CD2 4.21Å; M103-W106 HydrophobicContact CB-CE3 4.01Å; M103-W106 HydrophobicContact CB-CH2 4Å; M103-W106 HydrophobicContact CB-CZ2 4.21Å; M103-W106 HydrophobicContact CB-CZ3 3.89Å; M103-W106 HydrophobicContact CE-CE3 4.31Å; M103-W106 HydrophobicContact CE-CZ3 3.86Å; M103-W106 HydrophobicContact CG-CD2 4.16Å; M103-W106 HydrophobicContact CG-CE3 3.53Å; M103-W106 HydrophobicContact CG-CH2 4.07Å; M103-W106 HydrophobicContact CG-CZ3 3.46Å; M103-W106 VanDerWaalsContact CG-CZ3 3.46Å; M103-W106 WeakPolarHBondContact O-CB 3.33Å; M103-W106 PolarHBondContact O-N 3.35Å; M103-W106 HydrophobicContact SD-CZ3 4.04Å; W106-V109 HydrophobicContact CB-CG1 3.83Å; W106-V109 HydrophobicContact CD2-CG1 4.01Å; W106-V109 HydrophobicContact CE3-CG1 4.34Å; W106-V109 HydrophobicContact CG-CG1 3.79Å; W106-F146 HydrophobicContact CB-CD2 4.15Å; W106-F146 HydrophobicContact CB-CE2 4.14Å; W106-F146 WeakPolarHBondContact O-CD2 3.25Å
107	R	94.5	Very high	91.3	Very high	135 Å²	135	38.7 Å²	38.7	51%	0.509	18%	0.181	S	C	.	.	S	Bend	trans	-115.4	-49.8	174.7	-64.6	-64.1	-174.7	-146.7	-4	111.5	L105 S145 F146	L105-R107 PolarHBondContact O-N 2.96Å; R107-S145 CarbonylContact O-C 3.48Å; R107-S145 WeakPolarHBondContact O-CA 3.39Å; R107-F146 PolarHBondContact O-N 3.24Å
108	R	96.9	Very high	91.1	Very high	51 Å²	51	37.6 Å²	37.6	19%	0.192	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.9	176.9	-58.7	-177.8	-177.2	-136.9	-17.4	108.9	H61 H63 L64 W144 D148 Y149 E153	H61-R108 WeakPolarHBondContact O-CD 3.34Å; H61-R108 PolarHBondContact O-NH1 3.24Å; H61-R108 VanDerWaalsContact O-NH1 3.16Å; H63-R108 HydrophobicContact CB-CB 4.31Å; L64-R108 PolarHBondContact N-O 3.16Å; R108-W144 WeakPolarHBondContact CA-O 3.48Å; R108-D148 WeakPolarHBondContact CG-OD2 3.46Å; R108-D148 IonicContact CZ-OD2 3.56Å; R108-D148 IonicContact NE-OD2 3.28Å; R108-D148 PolarHBondContact NE-OD2 2.92Å; R108-D148 IonicContact NH2-OD2 3.69Å; R108-D148 PolarHBondContact NH2-OD2 3.27Å; R108-Y149 HydrophobicContact CG-CD1 4.26Å; R108-Y149 HydrophobicContact CG-CE1 4.07Å; R108-E153 IonicContact CZ-OE1 2.77Å; R108-E153 IonicContact NH1-OE1 2.82Å; R108-E153 PolarHBondContact NH1-OE1 3.25Å; R108-E153 IonicContact NH2-OE1 3.39Å; R108-E153 PolarHBondContact NH2-OE1 2.91Å; R108-E153 IonicContact NH2-OE2 3.18Å
109	V	97.7	Very high	90.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.6	177.7	-62.9	0	0	0	0	111.7	H63 L64 V66 F89 W106 S143 W144 F146	H63-V109 PolarHBondContact CD2-O 2.83Å; L64-V109 HydrophobicContact CB-CG1 4.25Å; L64-V109 CarbonylContact O-C 3.59Å; L64-V109 VanDerWaalsContact O-CA 3.22Å; L64-V109 WeakPolarHBondContact O-CA 3.33Å; V66-V109 HydrophobicContact CG1-CB 4.23Å; V66-V109 HydrophobicContact CG1-CG1 3.94Å; V66-V109 HydrophobicContact CG2-CB 4.2Å; F89-V109 HydrophobicContact CE1-CG2 3.9Å; F89-V109 HydrophobicContact CE2-CG2 4.31Å; F89-V109 HydrophobicContact CZ-CG2 3.8Å; W106-V109 HydrophobicContact CB-CG1 3.83Å; W106-V109 HydrophobicContact CD2-CG1 4.01Å; W106-V109 HydrophobicContact CE3-CG1 4.34Å; W106-V109 HydrophobicContact CG-CG1 3.79Å; V109-S143 CarbonylContact O-C 3.58Å; V109-S143 WeakPolarHBondContact O-CA 3.43Å; V109-W144 HydrophobicContact CG2-CB 3.76Å; V109-W144 HydrophobicContact CG2-CD2 4.36Å; V109-W144 HydrophobicContact CG2-CE3 3.91Å; V109-W144 HydrophobicContact CG2-CG 4.34Å; V109-W144 PolarHBondContact N-O 3.29Å; V109-W144 VanDerWaalsContact N-O 3.07Å; V109-W144 PolarHBondContact O-N 2.83Å; V109-F146 HydrophobicContact CG2-CE2 3.59Å; V109-F146 HydrophobicContact CG2-CZ 3.96Å
110	A	98	Very high	89.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.4	175.4	0	0	0	0	0	111.5	F57 H63 L64 L65 V66 G142	F57-A110 HydrophobicContact CB-CB 3.93Å; F57-A110 HydrophobicContact CG-CB 4.34Å; H63-A110 HydrophobicContact CB-CB 4.04Å; L64-A110 PolarHBondContact O-N 3.34Å; L65-A110 WeakPolarHBondContact CA-O 3.42Å; L65-A110 HydrophobicContact CD2-CB 4.07Å; V66-A110 PolarHBondContact N-O 3.02Å; A110-G142 WeakPolarHBondContact CA-O 3.22Å; A110-G142 WeakPolarHBondContact CB-O 3.35Å
111	N	96.8	Very high	88.7	Confident	3 Å²	3	38.2 Å²	38.2	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	178.5	175.2	76.7	8.9	0	0	0	112.6	V66 P67 Q88 Q113 G142 W144	V66-N111 HydrophobicContact CG2-CB 4.15Å; V66-N111 WeakPolarHBondContact O-CB 3.39Å; P67-N111 PolarHBondContact O-ND2 3.47Å; Q88-N111 PolarHBondContact NE2-ND2 3.15Å; N111-Q113 PolarHBondContact OD1-N 2.89Å; N111-G142 PolarHBondContact N-O 3.35Å; N111-G142 PolarHBondContact O-N 3.3Å; N111-W144 HydrophobicContact CB-CZ3 4.41Å; N111-W144 WeakPolarHBondContact OD1-CH2 3.39Å; N111-W144 VanDerWaalsContact OD1-CZ3 3.24Å; N111-W144 WeakPolarHBondContact OD1-CZ3 3.32Å
112	S	96.4	Very high	87.9	Confident	9 Å²	9	40.3 Å²	40.3	6%	0.063	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	101.6	161.7	-165.6	0	0	0	0	107	S68 E139 Y401	S68-S112 WeakPolarHBondContact CB-O 3.45Å; S112-E139 PolarHBondContact OG-OE2 2.94Å; S112-Y401 PolarHBondContact O-OH 3.39Å
113	Q	95.8	Very high	87.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.8	-177.3	178	59.1	43.9	0	0	110.8	S68 A69 V82 N111 C115 M140	S68-Q113 PolarHBondContact OG-NE2 3.35Å; S68-Q113 PolarHBondContact OG-OE1 3.13Å; A69-Q113 PolarHBondContact O-NE2 2.86Å; V82-Q113 HydrophobicContact CG1-CG 4.19Å; N111-Q113 PolarHBondContact OD1-N 2.89Å; Q113-C115 PolarHBondContact O-N 3.48Å; Q113-M140 PolarHBondContact N-O 2.88Å; Q113-M140 PolarHBondContact O-N 3.29Å
114	R	95.3	Very high	87.5	Confident	9 Å²	9	38.6 Å²	38.6	3%	0.034	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	120.9	167.3	-70.6	173.9	-75	-166.7	-19.8	110.6	S68 V71 F137 V347 D351 Y401 E403	S68-R114 PolarHBondContact OG-N 3.23Å; S68-R114 VanDerWaalsContact OG-N 3.11Å; S68-R114 PolarHBondContact OG-NE 3.49Å; V71-R114 HydrophobicContact CG1-CB 3.82Å; R114-F137 HydrophobicContact CB-CE2 3.77Å; R114-F137 HydrophobicContact CG-CE2 3.77Å; R114-F137 HydrophobicContact CG-CZ 4.08Å; R114-V347 HydrophobicContact CB-CG1 4.48Å; R114-V347 HydrophobicContact CG-CG1 4.43Å; R114-D351 IonicContact CZ-OD1 2.74Å; R114-D351 IonicContact CZ-OD2 3.09Å; R114-D351 IonicContact NH1-OD1 2.88Å; R114-D351 PolarHBondContact NH1-OD1 2.84Å; R114-D351 VanDerWaalsContact NH1-OD1 3.12Å; R114-D351 IonicContact NH1-OD2 3.99Å; R114-Y401 HydrophobicContact CG-CD1 4.06Å; R114-Y401 HydrophobicContact CG-CD2 4.42Å; R114-Y401 HydrophobicContact CG-CE1 3.5Å; R114-Y401 VanDerWaalsContact CG-CE1 3.5Å; R114-Y401 HydrophobicContact CG-CE2 3.94Å; R114-Y401 HydrophobicContact CG-CG 4.48Å; R114-Y401 VanDerWaalsContact CG-CZ 3.43Å; R114-Y401 VanDerWaalsContact CZ-CD1 3.45Å; R114-E403 IonicContact CZ-OE1 3.74Å; R114-E403 IonicContact NH1-OE1 3.8Å; R114-E403 PolarHBondContact NH1-OE1 3.21Å; R114-E403 IonicContact NH2-OE1 3.54Å; R114-E403 PolarHBondContact NH2-OE1 2.81Å
115	C	95.3	Very high	87.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.6	179.6	-68.3	0	0	0	0	110.4	V82 Q113 F137 F138	V82-C115 WeakPolarHBondContact O-CA 3.32Å; Q113-C115 PolarHBondContact O-N 3.48Å; C115-F137 WeakPolarHBondContact O-CA 3.26Å; C115-F137 WeakPolarHBondContact O-CD2 3.07Å; C115-F138 HydrophobicContact CB-CD1 4.29Å; C115-F138 HydrophobicContact CB-CD2 4.4Å; C115-F138 HydrophobicContact CB-CE1 3.81Å; C115-F138 HydrophobicContact CB-CE2 3.95Å; C115-F138 HydrophobicContact CB-CZ 3.62Å; C115-F138 PolarHBondContact N-O 3.15Å; C115-F138 PolarHBondContact O-N 2.71Å; C115-F138 VanDerWaalsContact O-N 3.09Å
116	V	95.2	Very high	86.9	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.8	172.7	175.4	0	0	0	0	109.5	V71 F81 V82 A118 T136 F137 T344	V71-V116 HydrophobicContact CB-CG2 4.09Å; V71-V116 HydrophobicContact CG1-CG2 3.87Å; F81-V116 HydrophobicContact CB-CB 3.84Å; F81-V116 HydrophobicContact CB-CG1 4.17Å; F81-V116 HydrophobicContact CD1-CB 4.21Å; F81-V116 HydrophobicContact CD1-CG1 4.14Å; F81-V116 HydrophobicContact CD2-CG1 3.92Å; F81-V116 HydrophobicContact CE2-CG1 4.32Å; F81-V116 HydrophobicContact CG-CB 3.96Å; F81-V116 HydrophobicContact CG-CG1 3.82Å; V82-V116 PolarHBondContact O-N 2.95Å; V116-A118 HydrophobicContact CG1-CB 4.13Å; V116-T136 CarbonylContact C-O 3.58Å; V116-T136 VanDerWaalsContact CA-O 3.23Å; V116-T136 WeakPolarHBondContact CA-O 3.39Å; V116-F137 HydrophobicContact CG2-CD2 4.28Å; V116-T344 HydrophobicContact CG1-CG2 4.21Å; V116-T344 HydrophobicContact CG2-CG2 4.35Å
117	R	91.8	Very high	86.5	Confident	54 Å²	54	37.6 Å²	37.6	20%	0.204	19%	0.194	C	C	.	.			trans	-114.6	79	174.8	-74.7	-177.6	-175.3	-178.3	0.9	109.6	N83 H122 D124 T136 F138	N83-R117 HydrophobicContact CB-CG 4.31Å; N83-R117 PolarHBondContact O-NE 3.3Å; R117-H122 HydrophobicContact CG-CB 4.29Å; R117-D124 HydrophobicContact CB-CB 4.41Å; R117-D124 WeakPolarHBondContact CB-OD2 3.31Å; R117-D124 VanDerWaalsContact CD-OD2 3.22Å; R117-D124 WeakPolarHBondContact CD-OD2 3.41Å; R117-D124 PolarHBondContact O-N 3.48Å; R117-T136 PolarHBondContact N-O 2.84Å; R117-F138 HydrophobicContact CB-CE1 4.41Å; R117-F138 HydrophobicContact CG-CE1 3.82Å; R117-F138 HydrophobicContact CG-CZ 4.46Å
118	A	82.2	Confident	86.2	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.008	17%	0.169	C	C	.	.	S	Bend	trans	-142.3	108.4	175.5	0	0	0	0	0	109	V116 V363 I367	V116-A118 HydrophobicContact CG1-CB 4.13Å; A118-V363 HydrophobicContact CB-CG1 3.58Å; A118-V363 WeakPolarHBondContact O-CG1 3.34Å; A118-I367 HydrophobicContact CB-CD1 3.81Å
119	G	69.4	Low	85.6	Confident	26 Å²	26	28.7 Å²	28.7	27%	0.268	16%	0.16	S	C	.	.	S	Bend	trans	82.7	161.6	-173.6	0	0	0	0	0	115	N123	G119-N123 PolarHBondContact N-OD1 3.22Å
120	G	66.3	Low	85	Confident	63 Å²	63	33.6 Å²	33.6	65%	0.649	18%	0.179	S	C	*	.	S	Bend	trans	81.4	-160	-173.3	0	0	0	0	0	113.1
121	K	64.4	Low	84.5	Confident	112 Å²	112	35.5 Å²	35.5	49%	0.487	19%	0.189	S	C	.	.	S	Bend	trans	-62.2	-39.5	179	-175.1	-179	-177.7	179.9	0	112.6	E217	K121-E217 IonicContact NZ-OE1 3.58Å; K121-E217 PolarHBondContact NZ-OE1 2.91Å
122	H	67.5	Low	84.1	Confident	48 Å²	48	35.9 Å²	35.9	22%	0.222	19%	0.193	C	C	.	.	S	Bend	trans	-104.7	100.3	178.9	-60.4	-69.8	0	0	0	109.7	R117	R117-H122 HydrophobicContact CG-CB 4.29Å
123	N	79.5	Confident	83.7	Confident	63 Å²	63	36.6 Å²	36.6	34%	0.337	20%	0.197	S	C	.	.			trans	-135.3	102.2	-172.4	179.4	30.1	0	0	0	111.5	G119 L125	G119-N123 PolarHBondContact N-OD1 3.22Å; N123-L125 VanDerWaalsContact OD1-CB 3.29Å; N123-L125 WeakPolarHBondContact OD1-CB 3.43Å; N123-L125 PolarHBondContact OD1-N 3.03Å
124	D	85	Confident	83.5	Confident	25 Å²	25	38.9 Å²	38.9	13%	0.134	21%	0.208	C	C	.	.			trans	-98.5	5.7	-176.9	-56.8	-20.9	0	0	0	111.7	R117 E126 D127 V128 H134	R117-D124 HydrophobicContact CB-CB 4.41Å; R117-D124 WeakPolarHBondContact CB-OD2 3.31Å; R117-D124 VanDerWaalsContact CD-OD2 3.22Å; R117-D124 WeakPolarHBondContact CD-OD2 3.41Å; R117-D124 PolarHBondContact O-N 3.48Å; D124-E126 VanDerWaalsContact C-N 3.26Å; D124-E126 PolarHBondContact O-N 2.93Å; D124-D127 PolarHBondContact O-N 3.45Å; D124-D127 VanDerWaalsContact O-N 3.14Å; D124-V128 VanDerWaalsContact O-CG2 3.25Å; D124-V128 WeakPolarHBondContact O-CG2 3.47Å; D124-V128 PolarHBondContact O-N 2.96Å; D124-H134 HydrophobicContact CB-CB 4.42Å
125	L	84.5	Confident	83.5	Confident	13 Å²	13	38.8 Å²	38.8	7%	0.068	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-41.2	-173	-179.7	60.4	0	0	0	111.8	N123 T136 I367 R370	N123-L125 VanDerWaalsContact OD1-CB 3.29Å; N123-L125 WeakPolarHBondContact OD1-CB 3.43Å; N123-L125 PolarHBondContact OD1-N 3.03Å; L125-T136 HydrophobicContact CB-CG2 4.47Å; L125-T136 HydrophobicContact CD1-CG2 3.65Å; L125-I367 HydrophobicContact CD1-CG1 3.95Å; L125-R370 VanDerWaalsContact O-CZ 3.23Å; L125-R370 PolarHBondContact O-NH1 3.39Å; L125-R370 PolarHBondContact O-NH2 3.48Å; L125-R370 VanDerWaalsContact O-NH2 3.14Å
126	E	78.1	Confident	83.5	Confident	112 Å²	112	38.8 Å²	38.8	52%	0.523	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-31.2	-177.2	-65	-171.9	-172.1	0	0	113	D124 R130	D124-E126 VanDerWaalsContact C-N 3.26Å; D124-E126 PolarHBondContact O-N 2.93Å; E126-R130 WeakPolarHBondContact O-CD 3.48Å
127	D	85.1	Confident	83.5	Confident	62 Å²	62	38.6 Å²	38.6	33%	0.332	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-27.7	-177.6	-59	-48.1	0	0	0	112.4	D124 G129 R130 D131 H134	D124-D127 PolarHBondContact O-N 3.45Å; D124-D127 VanDerWaalsContact O-N 3.14Å; D127-G129 PolarHBondContact O-N 3.1Å; D127-G129 VanDerWaalsContact O-N 3.11Å; D127-R130 WeakPolarHBondContact O-CB 3.31Å; D127-R130 PolarHBondContact O-N 2.88Å; D127-D131 PolarHBondContact O-N 3.11Å; D127-H134 HydrophobicContact CB-CB 3.97Å
128	V	88.9	Confident	83.7	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	120.2	178.8	174.2	0	0	0	0	112.2	D124 R130 T136 V337 D340 R370	D124-V128 VanDerWaalsContact O-CG2 3.25Å; D124-V128 WeakPolarHBondContact O-CG2 3.47Å; D124-V128 PolarHBondContact O-N 2.96Å; V128-R130 VanDerWaalsContact C-N 3.27Å; V128-R130 PolarHBondContact O-N 2.81Å; V128-T136 HydrophobicContact CB-CG2 4.47Å; V128-T136 HydrophobicContact CG2-CG2 3.66Å; V128-V337 HydrophobicContact CG1-CG2 4.49Å; V128-V337 WeakPolarHBondContact O-CG2 3.21Å; V128-D340 HydrophobicContact CG1-CB 3.8Å; V128-D340 WeakPolarHBondContact CG1-OD2 3.41Å; V128-R370 PolarHBondContact O-NH2 2.95Å
129	G	84.6	Confident	84.4	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-13.3	-179.1	0	0	0	0	0	115.1	D127 R333 R336	D127-G129 PolarHBondContact O-N 3.1Å; D127-G129 VanDerWaalsContact O-N 3.11Å; G129-R333 WeakPolarHBondContact O-CG 3.31Å; G129-R336 PolarHBondContact O-NE 3.32Å; G129-R336 VanDerWaalsContact O-NE 3.12Å; G129-R336 PolarHBondContact O-NH2 3.47Å
130	R	86	Confident	85.7	Confident	103 Å²	103	36.5 Å²	36.5	39%	0.389	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-36.6	169.7	-70.1	-176.8	168	160.6	-3.4	111.1	E126 D127 V128 M323 E469	E126-R130 WeakPolarHBondContact O-CD 3.48Å; D127-R130 WeakPolarHBondContact O-CB 3.31Å; D127-R130 PolarHBondContact O-N 2.88Å; V128-R130 VanDerWaalsContact C-N 3.27Å; V128-R130 PolarHBondContact O-N 2.81Å; R130-M323 WeakPolarHBondContact O-CE 3.48Å; R130-E469 IonicContact NH2-OE2 2.95Å; R130-E469 PolarHBondContact NH2-OE2 2.85Å; R130-E469 VanDerWaalsContact NH2-OE2 3.1Å
131	D	87	Confident	87.3	Confident	39 Å²	39	33.5 Å²	33.5	21%	0.209	16%	0.161	C	C	.	.	S	Bend	trans	-114.7	-176.8	168.6	65.2	50.6	0	0	0	112.7	D127 T133 H134	D127-D131 PolarHBondContact O-N 3.11Å; D131-T133 PolarHBondContact OD1-N 3.31Å; D131-H134 VanDerWaalsContact CG-ND1 3.27Å; D131-H134 IonicContact OD1-CG 2.66Å; D131-H134 PolarHBondContact OD1-N 3.07Å; D131-H134 IonicContact OD1-ND1 3.58Å; D131-H134 PolarHBondContact OD1-ND1 3.29Å; D131-H134 IonicContact OD2-CE1 3.12Å; D131-H134 PolarHBondContact OD2-CE1 2.88Å; D131-H134 IonicContact OD2-CG 2.72Å; D131-H134 IonicContact OD2-ND1 3.89Å; D131-H134 PolarHBondContact OD2-ND1 3.47Å
132	G	87.8	Confident	88.8	Confident	11 Å²	11	28.1 Å²	28.1	11%	0.113	14%	0.138	C	C	.	.	S	Bend	trans	-101.6	4.5	-179.1	0	0	0	0	0	114.7	N297	G132-N297 WeakPolarHBondContact O-CB 3.41Å; G132-N297 PolarHBondContact O-N 3.24Å
133	T	88.5	Confident	90.2	Very high	24 Å²	24	26 Å²	26	15%	0.147	13%	0.128	C	C	.	.	S	Bend	trans	-129	-18.3	-166.9	55.8	0	0	0	0	114.9	D131 V252 N297	D131-T133 PolarHBondContact OD1-N 3.31Å; T133-V252 HydrophobicContact CG2-CG1 4.45Å; T133-N297 PolarHBondContact O-ND2 2.98Å
134	H	91.4	Very high	91.1	Very high	48 Å²	48	23 Å²	23	22%	0.222	11%	0.112	C	C	.	.			trans	-91.6	145.3	177	-69.1	92.2	0	0	0	112.7	D124 D127 D131 Y298	D124-H134 HydrophobicContact CB-CB 4.42Å; D127-H134 HydrophobicContact CB-CB 3.97Å; D131-H134 VanDerWaalsContact CG-ND1 3.27Å; D131-H134 IonicContact OD1-CG 2.66Å; D131-H134 PolarHBondContact OD1-N 3.07Å; D131-H134 IonicContact OD1-ND1 3.58Å; D131-H134 PolarHBondContact OD1-ND1 3.29Å; D131-H134 IonicContact OD2-CE1 3.12Å; D131-H134 PolarHBondContact OD2-CE1 2.88Å; D131-H134 IonicContact OD2-CG 2.72Å; D131-H134 IonicContact OD2-ND1 3.89Å; D131-H134 PolarHBondContact OD2-ND1 3.47Å; H134-Y298 PolarHBondContact O-OH 2.8Å
135	H	94.4	Very high	91.7	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.032	11%	0.106	C	C	.	.			trans	-141.8	145.9	-176.3	-61	-60.8	0	0	0	110.6	F137 F138 N297 Y298 F303 D340	H135-F137 VanDerWaalsContact CB-O 3.32Å; H135-F137 WeakPolarHBondContact CB-O 3.38Å; H135-F138 HydrophobicContact CB-CB 4.26Å; H135-N297 VanDerWaalsContact NE2-CB 3.29Å; H135-N297 WeakPolarHBondContact NE2-CB 3.3Å; H135-N297 PolarHBondContact NE2-ND2 2.94Å; H135-Y298 AromaticContact CE1-CE1 3.89Å; H135-Y298 AromaticContact CE1-CE2 3.84Å; H135-Y298 AromaticContact CE1-CZ 3.55Å; H135-Y298 AromaticContact ND1-CZ 3.69Å; H135-Y298 PolarHBondContact ND1-OH 3.48Å; H135-F303 AromaticContact CE1-CE2 3.64Å; H135-F303 AromaticContact CE1-CZ 3.27Å; H135-F303 WeakPolarHBondContact CE1-CZ 3.24Å; H135-F303 AromaticContact ND1-CZ 3.54Å; H135-F303 AromaticContact NE2-CZ 3.97Å; H135-D340 WeakPolarHBondContact CA-OD1 3.23Å; H135-D340 VanDerWaalsContact CB-OD1 3.27Å; H135-D340 WeakPolarHBondContact CB-OD1 3.46Å; H135-D340 IonicContact CG-OD1 2.71Å; H135-D340 IonicContact ND1-OD1 3.5Å
136	T	94.9	Very high	92.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-77.5	-30.3	170.5	57.8	0	0	0	0	111.2	V116 R117 L125 V128 D340 T344	V116-T136 CarbonylContact C-O 3.58Å; V116-T136 VanDerWaalsContact CA-O 3.23Å; V116-T136 WeakPolarHBondContact CA-O 3.39Å; R117-T136 PolarHBondContact N-O 2.84Å; L125-T136 HydrophobicContact CB-CG2 4.47Å; L125-T136 HydrophobicContact CD1-CG2 3.65Å; V128-T136 HydrophobicContact CB-CG2 4.47Å; V128-T136 HydrophobicContact CG2-CG2 3.66Å; T136-D340 WeakPolarHBondContact CB-OD2 3.22Å; T136-D340 PolarHBondContact N-OD1 3.49Å; T136-D340 PolarHBondContact N-OD2 3.26Å; T136-D340 PolarHBondContact OG1-OD2 3.48Å; T136-T344 WeakPolarHBondContact OG1-CB 3.42Å; T136-T344 PolarHBondContact OG1-OG1 3.07Å
137	F	96.1	Very high	92.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	132	173.1	164.3	-104	0	0	0	110.1	R114 C115 V116 H135 E139 R343 T344 V347 L397	R114-F137 HydrophobicContact CB-CE2 3.77Å; R114-F137 HydrophobicContact CG-CE2 3.77Å; R114-F137 HydrophobicContact CG-CZ 4.08Å; C115-F137 WeakPolarHBondContact O-CA 3.26Å; C115-F137 WeakPolarHBondContact O-CD2 3.07Å; V116-F137 HydrophobicContact CG2-CD2 4.28Å; H135-F137 VanDerWaalsContact CB-O 3.32Å; H135-F137 WeakPolarHBondContact CB-O 3.38Å; F137-E139 HydrophobicContact CZ-CG 4.28Å; F137-R343 HydrophobicContact CD1-CB 3.8Å; F137-R343 HydrophobicContact CE1-CB 4.37Å; F137-T344 HydrophobicContact CB-CG2 4.12Å; F137-T344 WeakPolarHBondContact CB-OG1 3.44Å; F137-T344 PolarHBondContact N-OG1 3.03Å; F137-V347 HydrophobicContact CD1-CG2 4.45Å; F137-V347 HydrophobicContact CD2-CB 4.41Å; F137-V347 HydrophobicContact CD2-CG1 4.22Å; F137-V347 HydrophobicContact CD2-CG2 4.37Å; F137-V347 HydrophobicContact CE1-CG2 3.99Å; F137-V347 HydrophobicContact CE2-CB 4.29Å; F137-V347 HydrophobicContact CE2-CG1 3.91Å; F137-V347 HydrophobicContact CE2-CG2 3.95Å; F137-V347 HydrophobicContact CZ-CG1 4.49Å; F137-V347 HydrophobicContact CZ-CG2 3.74Å; F137-L397 HydrophobicContact CE1-CD1 3.75Å; F137-L397 HydrophobicContact CZ-CD1 4.31Å
138	F	96.2	Very high	93.3	Very high	21 Å²	21	19 Å²	19	9%	0.092	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	164.1	175	66.8	-83.3	0	0	0	110.6	C115 R117 H135 M140 E285	C115-F138 HydrophobicContact CB-CD1 4.29Å; C115-F138 HydrophobicContact CB-CD2 4.4Å; C115-F138 HydrophobicContact CB-CE1 3.81Å; C115-F138 HydrophobicContact CB-CE2 3.95Å; C115-F138 HydrophobicContact CB-CZ 3.62Å; C115-F138 PolarHBondContact N-O 3.15Å; C115-F138 PolarHBondContact O-N 2.71Å; C115-F138 VanDerWaalsContact O-N 3.09Å; R117-F138 HydrophobicContact CB-CE1 4.41Å; R117-F138 HydrophobicContact CG-CE1 3.82Å; R117-F138 HydrophobicContact CG-CZ 4.46Å; H135-F138 HydrophobicContact CB-CB 4.26Å; F138-M140 HydrophobicContact CE2-CB 4.07Å; F138-M140 HydrophobicContact CE2-CE 3.68Å; F138-M140 HydrophobicContact CZ-CE 3.86Å; F138-E285 WeakPolarHBondContact CB-OE2 3.41Å
139	E	97.1	Very high	93.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.8	174.2	-68.7	-176.5	-105.7	0	0	110.2	R50 S112 F137 L284 E285 Y401	R50-E139 IonicContact CZ-OE1 2.74Å; R50-E139 IonicContact CZ-OE2 3.54Å; R50-E139 IonicContact NE-OE1 3.53Å; R50-E139 IonicContact NE-OE2 3.06Å; R50-E139 PolarHBondContact NE-OE2 3.06Å; R50-E139 IonicContact NH2-OE1 3.57Å; R50-E139 PolarHBondContact NH2-OE1 3.48Å; R50-E139 IonicContact NH2-OE2 2.62Å; R50-E139 PolarHBondContact NH2-OE2 3.14Å; S112-E139 PolarHBondContact OG-OE2 2.94Å; F137-E139 HydrophobicContact CZ-CG 4.28Å; E139-L284 HydrophobicContact CB-CB 3.91Å; E139-L284 HydrophobicContact CB-CD2 3.92Å; E139-L284 HydrophobicContact CG-CD2 4.37Å; E139-L284 WeakPolarHBondContact O-CB 3.22Å; E139-L284 PolarHBondContact O-N 3.32Å; E139-L284 WeakPolarHBondContact OE1-CD2 3.31Å; E139-E285 PolarHBondContact N-OE1 3.3Å; E139-E285 PolarHBondContact N-OE2 3.01Å; E139-E285 VanDerWaalsContact N-OE2 3.08Å; E139-Y401 HydrophobicContact CG-CE2 4.29Å; E139-Y401 PolarHBondContact OE2-OH 3.38Å
140	M	97	Very high	94.3	Very high	15 Å²	15	21.5 Å²	21.5	7%	0.074	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	105.4	173.4	-171.4	176.1	-69.8	0	0	109	A84 G85 Q113 F138 G142	A84-M140 HydrophobicContact CB-CE 4.45Å; A84-M140 HydrophobicContact CB-SD 4.48Å; G85-M140 PolarHBondContact N-SD 3.05Å; Q113-M140 PolarHBondContact N-O 2.88Å; Q113-M140 PolarHBondContact O-N 3.29Å; F138-M140 HydrophobicContact CE2-CB 4.07Å; F138-M140 HydrophobicContact CE2-CE 3.68Å; F138-M140 HydrophobicContact CZ-CE 3.86Å; M140-G142 PolarHBondContact O-N 2.86Å
141	L	98.2	Very high	94.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	121	167.3	-62.1	176.5	0	0	0	108	R50 F53 M282 L284	R50-L141 HydrophobicContact CG-CD2 3.99Å; F53-L141 HydrophobicContact CB-CD1 4.02Å; F53-L141 HydrophobicContact CD1-CB 3.97Å; F53-L141 HydrophobicContact CD1-CD2 4.07Å; F53-L141 HydrophobicContact CD1-CG 4.41Å; F53-L141 HydrophobicContact CD2-CB 4.05Å; F53-L141 HydrophobicContact CD2-CD1 4.14Å; F53-L141 HydrophobicContact CE1-CB 3.87Å; F53-L141 HydrophobicContact CE2-CB 3.91Å; F53-L141 HydrophobicContact CG-CB 4.07Å; F53-L141 HydrophobicContact CG-CD1 3.98Å; F53-L141 HydrophobicContact CG-CD2 4.32Å; F53-L141 HydrophobicContact CG-CG 4.36Å; F53-L141 HydrophobicContact CZ-CB 3.84Å; L141-M282 HydrophobicContact CB-CB 4.17Å; L141-M282 HydrophobicContact CB-CE 4.22Å; L141-M282 HydrophobicContact CD1-CE 3.7Å; L141-M282 PolarHBondContact N-O 3.44Å; L141-M282 PolarHBondContact O-N 2.88Å; L141-L284 HydrophobicContact CD1-CB 4.39Å; L141-L284 HydrophobicContact CD1-CD1 3.82Å; L141-L284 HydrophobicContact CG-CB 4.22Å; L141-L284 HydrophobicContact CG-CD1 4.33Å
142	G	97.1	Very high	95.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.5	-176.2	0	0	0	0	0	113.8	F53 A110 N111 M140 W144 T280	F53-G142 WeakPolarHBondContact CE1-O 3.34Å; A110-G142 WeakPolarHBondContact CA-O 3.22Å; A110-G142 WeakPolarHBondContact CB-O 3.35Å; N111-G142 PolarHBondContact N-O 3.35Å; N111-G142 PolarHBondContact O-N 3.3Å; M140-G142 PolarHBondContact O-N 2.86Å; G142-W144 VanDerWaalsContact CA-CH2 3.41Å; G142-W144 VanDerWaalsContact O-CZ3 3.25Å; G142-W144 WeakPolarHBondContact O-CZ3 3.3Å; G142-T280 WeakPolarHBondContact CA-O 3.43Å
143	S	97.6	Very high	95.9	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.014	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.6	173.7	71.1	0	0	0	0	107.4	F57 V109 T280	F57-S143 VanDerWaalsContact CE1-CB 3.45Å; F57-S143 WeakPolarHBondContact CE1-OG 3.37Å; F57-S143 WeakPolarHBondContact CZ-OG 3.27Å; V109-S143 CarbonylContact O-C 3.58Å; V109-S143 WeakPolarHBondContact O-CA 3.43Å; S143-T280 PolarHBondContact N-OG1 3.01Å; S143-T280 PolarHBondContact O-N 3.49Å; S143-T280 VanDerWaalsContact O-N 3.1Å; S143-T280 PolarHBondContact O-OG1 3.34Å; S143-T280 WeakPolarHBondContact OG-CG2 3.5Å; S143-T280 PolarHBondContact OG-OG1 2.99Å
144	W	97.9	Very high	96.3	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.8	-175.3	-61.9	-85.8	0	0	0	111.2	F89 R108 V109 N111 G142 F146 V278 D279	F89-W144 AromaticContact CD2-CD2 3.76Å; F89-W144 HydrophobicContact CD2-CD2 3.76Å; F89-W144 AromaticContact CD2-CE2 3.84Å; F89-W144 HydrophobicContact CD2-CE3 4.3Å; F89-W144 AromaticContact CD2-CG 3.94Å; F89-W144 HydrophobicContact CD2-CG 3.94Å; F89-W144 HydrophobicContact CD2-CZ2 4.47Å; F89-W144 AromaticContact CD2-NE1 3.98Å; F89-W144 AromaticContact CE2-CD2 3.38Å; F89-W144 HydrophobicContact CE2-CD2 3.38Å; F89-W144 AromaticContact CE2-CE2 3.61Å; F89-W144 AromaticContact CE2-CE3 3.47Å; F89-W144 HydrophobicContact CE2-CE3 3.47Å; F89-W144 VanDerWaalsContact CE2-CE3 3.47Å; F89-W144 HydrophobicContact CE2-CG 4.01Å; F89-W144 AromaticContact CE2-CH2 3.98Å; F89-W144 HydrophobicContact CE2-CH2 3.98Å; F89-W144 AromaticContact CE2-CZ2 3.96Å; F89-W144 HydrophobicContact CE2-CZ2 3.96Å; F89-W144 AromaticContact CE2-CZ3 3.73Å; F89-W144 HydrophobicContact CE2-CZ3 3.73Å; F89-W144 HydrophobicContact CZ-CD2 4.29Å; F89-W144 HydrophobicContact CZ-CE3 4Å; F89-W144 HydrophobicContact CZ-CZ3 4.22Å; R108-W144 WeakPolarHBondContact CA-O 3.48Å; V109-W144 HydrophobicContact CG2-CB 3.76Å; V109-W144 HydrophobicContact CG2-CD2 4.36Å; V109-W144 HydrophobicContact CG2-CE3 3.91Å; V109-W144 HydrophobicContact CG2-CG 4.34Å; V109-W144 PolarHBondContact N-O 3.29Å; V109-W144 VanDerWaalsContact N-O 3.07Å; V109-W144 PolarHBondContact O-N 2.83Å; N111-W144 HydrophobicContact CB-CZ3 4.41Å; N111-W144 WeakPolarHBondContact OD1-CH2 3.39Å; N111-W144 VanDerWaalsContact OD1-CZ3 3.24Å; N111-W144 WeakPolarHBondContact OD1-CZ3 3.32Å; G142-W144 VanDerWaalsContact CA-CH2 3.41Å; G142-W144 VanDerWaalsContact O-CZ3 3.25Å; G142-W144 WeakPolarHBondContact O-CZ3 3.3Å; W144-F146 HydrophobicContact CB-CE1 4.08Å; W144-F146 HydrophobicContact CB-CE2 4.25Å; W144-F146 HydrophobicContact CB-CZ 3.7Å; W144-F146 HydrophobicContact CG-CZ 4.29Å; W144-V278 VanDerWaalsContact CA-O 3.26Å; W144-V278 WeakPolarHBondContact CA-O 3.24Å; W144-D279 PolarHBondContact NE1-OD1 3.23Å
145	S	97.3	Very high	96.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.6	170.6	177.9	0	0	0	0	109.2	R107 Y149 S277 V278	R107-S145 CarbonylContact O-C 3.48Å; R107-S145 WeakPolarHBondContact O-CA 3.39Å; S145-Y149 VanDerWaalsContact CB-O 3.3Å; S145-Y149 WeakPolarHBondContact CB-O 3.29Å; S145-Y149 PolarHBondContact OG-N 2.81Å; S145-Y149 PolarHBondContact OG-O 3.33Å; S145-S277 CarbonylContact O-C 3.29Å; S145-S277 WeakPolarHBondContact O-CA 3.37Å; S145-S277 WeakPolarHBondContact O-CB 3.47Å; S145-S277 PolarHBondContact O-OG 2.79Å; S145-V278 PolarHBondContact N-O 2.84Å; S145-V278 PolarHBondContact O-N 2.73Å
146	F	95.9	Very high	96.9	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	92	176.6	-51.5	-60.4	0	0	0	109.9	F89 V92 L93 W106 R107 V109 W144 D148	F89-F146 HydrophobicContact CB-CE1 3.87Å; F89-F146 HydrophobicContact CB-CZ 3.67Å; F89-F146 HydrophobicContact CD1-CE2 4.38Å; F89-F146 AromaticContact CD1-CZ 3.82Å; F89-F146 HydrophobicContact CD1-CZ 3.82Å; F89-F146 HydrophobicContact CD2-CZ 4.17Å; F89-F146 HydrophobicContact CG-CE1 4.3Å; F89-F146 AromaticContact CG-CZ 3.62Å; F89-F146 HydrophobicContact CG-CZ 3.62Å; V92-F146 HydrophobicContact CB-CD1 4.45Å; V92-F146 HydrophobicContact CB-CE1 4.48Å; V92-F146 HydrophobicContact CG1-CB 3.92Å; V92-F146 HydrophobicContact CG1-CD1 3.67Å; V92-F146 HydrophobicContact CG1-CD2 3.9Å; V92-F146 HydrophobicContact CG1-CE1 4.14Å; V92-F146 HydrophobicContact CG1-CE2 4.33Å; V92-F146 HydrophobicContact CG1-CG 3.55Å; V92-F146 HydrophobicContact CG1-CZ 4.46Å; L93-F146 HydrophobicContact CD2-CD1 3.95Å; L93-F146 HydrophobicContact CD2-CE1 4.05Å; L93-F146 HydrophobicContact CG-CE1 4.36Å; W106-F146 HydrophobicContact CB-CD2 4.15Å; W106-F146 HydrophobicContact CB-CE2 4.14Å; W106-F146 WeakPolarHBondContact O-CD2 3.25Å; R107-F146 PolarHBondContact O-N 3.24Å; V109-F146 HydrophobicContact CG2-CE2 3.59Å; V109-F146 HydrophobicContact CG2-CZ 3.96Å; W144-F146 HydrophobicContact CB-CE1 4.08Å; W144-F146 HydrophobicContact CB-CE2 4.25Å; W144-F146 HydrophobicContact CB-CZ 3.7Å; W144-F146 HydrophobicContact CG-CZ 4.29Å; F146-D148 VanDerWaalsContact C-N 3.28Å; F146-D148 PolarHBondContact O-N 3.03Å
147	G	91.6	Very high	97	Very high	42 Å²	42	24.6 Å²	24.6	43%	0.433	12%	0.123	S	C	.	.	S	Bend	trans	66.6	24.6	178.9	0	0	0	0	0	114.8	F276	G147-F276 WeakPolarHBondContact CA-O 3.5Å; G147-F276 PolarHBondContact N-O 2.72Å
148	D	94.6	Very high	97.1	Very high	81 Å²	81	24.6 Å²	24.6	43%	0.433	12%	0.124	S	C	.	.	S	Bend	trans	-115.1	-81.5	-175.6	178.6	67.2	0	0	0	112.3	R108 F146	R108-D148 WeakPolarHBondContact CG-OD2 3.46Å; R108-D148 IonicContact CZ-OD2 3.56Å; R108-D148 IonicContact NE-OD2 3.28Å; R108-D148 PolarHBondContact NE-OD2 2.92Å; R108-D148 IonicContact NH2-OD2 3.69Å; R108-D148 PolarHBondContact NH2-OD2 3.27Å; F146-D148 VanDerWaalsContact C-N 3.28Å; F146-D148 PolarHBondContact O-N 3.03Å
149	Y	96.6	Very high	97.2	Very high	8 Å²	8	25 Å²	25	3%	0.031	13%	0.125	C	C	.	.			trans	-100.8	160.4	170.1	71.9	-97.6	0	0	0	112.4	H63 R108 S145 E153 A154 M157 V278	H63-Y149 AromaticContact CE1-CE1 3.64Å; H63-Y149 AromaticContact NE2-CE1 3.44Å; H63-Y149 WeakPolarHBondContact NE2-CE1 3.31Å; H63-Y149 AromaticContact NE2-CZ 3.57Å; H63-Y149 PolarHBondContact NE2-OH 2.82Å; R108-Y149 HydrophobicContact CG-CD1 4.26Å; R108-Y149 HydrophobicContact CG-CE1 4.07Å; S145-Y149 VanDerWaalsContact CB-O 3.3Å; S145-Y149 WeakPolarHBondContact CB-O 3.29Å; S145-Y149 PolarHBondContact OG-N 2.81Å; S145-Y149 PolarHBondContact OG-O 3.33Å; Y149-E153 WeakPolarHBondContact CB-OE2 3.42Å; Y149-E153 HydrophobicContact CD2-CB 4.1Å; Y149-E153 HydrophobicContact CG-CB 4.21Å; Y149-E153 HydrophobicContact CG-CG 4.44Å; Y149-A154 HydrophobicContact CD2-CB 4.32Å; Y149-A154 HydrophobicContact CE2-CB 4.02Å; Y149-M157 HydrophobicContact CD1-CE 4.28Å; Y149-M157 HydrophobicContact CD2-CE 3.71Å; Y149-M157 HydrophobicContact CE1-CE 3.89Å; Y149-M157 HydrophobicContact CE2-CE 3.28Å; Y149-M157 HydrophobicContact CG-CE 4.2Å; Y149-V278 HydrophobicContact CD2-CG2 4.04Å; Y149-V278 HydrophobicContact CE2-CB 4Å; Y149-V278 HydrophobicContact CE2-CG1 4.19Å; Y149-V278 HydrophobicContact CE2-CG2 3.93Å; Y149-V278 WeakPolarHBondContact O-CG2 3.2Å
150	F	96.9	Very high	97.3	Very high	45 Å²	45	25.9 Å²	25.9	20%	0.197	13%	0.13	C	C	.	.			trans	-132.3	-141.3	179.5	-158.9	-131.7	0	0	0	112.3	E152 A154 F259 F276 V278	F150-E152 PolarHBondContact O-N 3.16Å; F150-A154 VanDerWaalsContact O-CB 3.24Å; F150-A154 WeakPolarHBondContact O-CB 3.33Å; F150-A154 PolarHBondContact O-N 2.97Å; F150-A154 VanDerWaalsContact O-N 3.1Å; F150-F259 HydrophobicContact CE1-CB 4.49Å; F150-F259 HydrophobicContact CE2-CB 3.74Å; F150-F259 HydrophobicContact CE2-CD1 4.28Å; F150-F259 HydrophobicContact CE2-CG 4.41Å; F150-F259 HydrophobicContact CZ-CB 3.6Å; F150-F259 HydrophobicContact CZ-CG 4.34Å; F150-F276 HydrophobicContact CD2-CB 3.95Å; F150-F276 HydrophobicContact CE1-CB 4.47Å; F150-F276 HydrophobicContact CE1-CD2 4.12Å; F150-F276 HydrophobicContact CE2-CB 3.63Å; F150-F276 HydrophobicContact CE2-CG 4.47Å; F150-F276 HydrophobicContact CZ-CB 3.89Å; F150-F276 HydrophobicContact CZ-CD2 4.13Å; F150-F276 HydrophobicContact CZ-CG 4.26Å; F150-V278 HydrophobicContact CD2-CG2 3.89Å
151	K	98	Very high	97.3	Very high	11 Å²	11	25.1 Å²	25.1	5%	0.048	13%	0.127	C	C	.	.	H	α-helix	trans	-53.1	-54	-169.2	-69.3	167	175.3	-178.8	0	114.9	E153 A154 C155 D189 E191 I195 F259	K151-E153 PolarHBondContact O-N 2.97Å; K151-A154 PolarHBondContact O-N 3.17Å; K151-C155 PolarHBondContact O-N 3.15Å; K151-C155 PolarHBondContact O-SG 3.4Å; K151-C155 VanDerWaalsContact O-SG 3.32Å; K151-D189 WeakPolarHBondContact CE-OD2 3.16Å; K151-D189 VanDerWaalsContact NZ-CG 3.3Å; K151-D189 IonicContact NZ-OD1 3.45Å; K151-D189 PolarHBondContact NZ-OD1 3.02Å; K151-D189 IonicContact NZ-OD2 3.04Å; K151-D189 PolarHBondContact NZ-OD2 3.41Å; K151-E191 VanDerWaalsContact CD-CD 3.47Å; K151-E191 HydrophobicContact CD-CG 4.14Å; K151-E191 WeakPolarHBondContact CD-OE2 3.17Å; K151-E191 IonicContact NZ-OE2 2.61Å; K151-E191 PolarHBondContact NZ-OE2 2.7Å; K151-I195 HydrophobicContact CB-CD1 3.6Å; K151-F259 HydrophobicContact CB-CD1 4.37Å; K151-F259 HydrophobicContact CB-CE1 4Å; K151-F259 HydrophobicContact CB-CZ 4.13Å; K151-F259 HydrophobicContact CD-CD2 4.27Å; K151-F259 HydrophobicContact CD-CE2 4.45Å; K151-F259 HydrophobicContact CD-CG 4.37Å; K151-F259 HydrophobicContact CG-CB 4.43Å; K151-F259 HydrophobicContact CG-CD1 3.48Å; K151-F259 VanDerWaalsContact CG-CD1 3.48Å; K151-F259 HydrophobicContact CG-CD2 3.78Å; K151-F259 HydrophobicContact CG-CE1 3.54Å; K151-F259 HydrophobicContact CG-CE2 3.81Å; K151-F259 HydrophobicContact CG-CG 3.61Å; K151-F259 HydrophobicContact CG-CZ 3.7Å
152	E	97.8	Very high	97.3	Very high	110 Å²	110	25.1 Å²	25.1	51%	0.514	13%	0.127	S	C	.	.	H	α-helix	trans	-63.2	-48.1	-171.1	-170	-173	156.3	0	0	112.6	F150 R156 I195	F150-E152 PolarHBondContact O-N 3.16Å; E152-R156 WeakPolarHBondContact O-CB 3.48Å; E152-R156 PolarHBondContact O-N 2.79Å; E152-R156 VanDerWaalsContact O-N 3.08Å; E152-R156 IonicContact OE1-CZ 3.63Å; E152-R156 IonicContact OE1-NH1 3.78Å; E152-R156 IonicContact OE1-NH2 2.71Å; E152-R156 PolarHBondContact OE1-NH2 3.32Å; E152-I195 HydrophobicContact CB-CD1 4.03Å; E152-I195 HydrophobicContact CB-CG1 4.31Å; E152-I195 HydrophobicContact CG-CG1 4.41Å
153	E	97.9	Very high	97.3	Very high	57 Å²	57	26.5 Å²	26.5	27%	0.266	14%	0.135	S	C	.	.	H	α-helix	trans	-66.3	-41.4	177.6	-159.6	178.2	152.6	0	0	110.7	R108 Y149 K151 R156 M157	R108-E153 IonicContact CZ-OE1 2.77Å; R108-E153 IonicContact NH1-OE1 2.82Å; R108-E153 PolarHBondContact NH1-OE1 3.25Å; R108-E153 IonicContact NH2-OE1 3.39Å; R108-E153 PolarHBondContact NH2-OE1 2.91Å; R108-E153 IonicContact NH2-OE2 3.18Å; Y149-E153 WeakPolarHBondContact CB-OE2 3.42Å; Y149-E153 HydrophobicContact CD2-CB 4.1Å; Y149-E153 HydrophobicContact CG-CB 4.21Å; Y149-E153 HydrophobicContact CG-CG 4.44Å; K151-E153 PolarHBondContact O-N 2.97Å; E153-R156 PolarHBondContact O-N 3.48Å; E153-M157 HydrophobicContact CB-CE 4.29Å; E153-M157 HydrophobicContact CG-CE 3.83Å; E153-M157 HydrophobicContact CG-CG 4.49Å; E153-M157 HydrophobicContact CG-SD 4.41Å; E153-M157 WeakPolarHBondContact O-CB 3.5Å; E153-M157 WeakPolarHBondContact O-CE 3.48Å; E153-M157 VanDerWaalsContact O-CG 3.29Å; E153-M157 WeakPolarHBondContact O-CG 3.4Å; E153-M157 PolarHBondContact O-N 3.27Å
154	A	98.1	Very high	97.2	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-49.9	178.9	0	0	0	0	0	112.3	Y149 F150 K151 R156 M157 A158 L257 F259 V278	Y149-A154 HydrophobicContact CD2-CB 4.32Å; Y149-A154 HydrophobicContact CE2-CB 4.02Å; F150-A154 VanDerWaalsContact O-CB 3.24Å; F150-A154 WeakPolarHBondContact O-CB 3.33Å; F150-A154 PolarHBondContact O-N 2.97Å; F150-A154 VanDerWaalsContact O-N 3.1Å; K151-A154 PolarHBondContact O-N 3.17Å; A154-R156 PolarHBondContact O-N 2.97Å; A154-M157 PolarHBondContact O-N 3.45Å; A154-A158 WeakPolarHBondContact O-CB 3.25Å; A154-A158 PolarHBondContact O-N 2.88Å; A154-L257 HydrophobicContact CB-CD2 4.12Å; A154-F259 HydrophobicContact CB-CE1 4.4Å; A154-V278 HydrophobicContact CB-CG1 3.85Å; A154-V278 HydrophobicContact CB-CG2 4.24Å
155	C	98.6	Very high	97.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-40.6	178.1	-65.3	0	0	0	0	111.6	K151 A158 W159 I195 W196 L199	K151-C155 PolarHBondContact O-N 3.15Å; K151-C155 PolarHBondContact O-SG 3.4Å; K151-C155 VanDerWaalsContact O-SG 3.32Å; C155-A158 PolarHBondContact O-N 3.3Å; C155-W159 WeakPolarHBondContact O-CB 2.99Å; C155-W159 PolarHBondContact O-N 2.87Å; C155-I195 HydrophobicContact CB-CG2 3.65Å; C155-W196 HydrophobicContact CB-CE3 4.47Å; C155-W196 HydrophobicContact CB-CH2 3.82Å; C155-W196 HydrophobicContact CB-CZ2 3.87Å; C155-W196 HydrophobicContact CB-CZ3 4.14Å; C155-L199 HydrophobicContact CB-CD1 3.88Å
156	R	98.5	Very high	97	Very high	111 Å²	111	37.1 Å²	37.1	42%	0.419	18%	0.184	S	C	.	.	H	α-helix	trans	-61.9	-47	176.6	-176.5	-174.9	-65.5	116.7	1.2	112	E152 E153 A154 W159 S160 L199	E152-R156 WeakPolarHBondContact O-CB 3.48Å; E152-R156 PolarHBondContact O-N 2.79Å; E152-R156 VanDerWaalsContact O-N 3.08Å; E152-R156 IonicContact OE1-CZ 3.63Å; E152-R156 IonicContact OE1-NH1 3.78Å; E152-R156 IonicContact OE1-NH2 2.71Å; E152-R156 PolarHBondContact OE1-NH2 3.32Å; E153-R156 PolarHBondContact O-N 3.48Å; A154-R156 PolarHBondContact O-N 2.97Å; R156-W159 PolarHBondContact O-N 3.17Å; R156-S160 WeakPolarHBondContact O-CB 3.46Å; R156-S160 PolarHBondContact O-N 2.9Å; R156-L199 HydrophobicContact CB-CD2 4.18Å; R156-L199 HydrophobicContact CG-CD2 4.28Å
157	M	98.4	Very high	97	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.02	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-46.6	177.3	-74.5	-172.7	-74.3	0	0	111.3	F56 F57 H61 Y149 E153 A154 W159 L161	F56-M157 HydrophobicContact CE1-CB 4.35Å; F57-M157 HydrophobicContact CD1-SD 4.42Å; F57-M157 HydrophobicContact CE1-CB 4.42Å; F57-M157 HydrophobicContact CE1-SD 3.92Å; H61-M157 HydrophobicContact CB-SD 3.79Å; H61-M157 VanDerWaalsContact CE1-CG 3.46Å; H61-M157 WeakPolarHBondContact CE1-CG 3.28Å; H61-M157 PolarHBondContact ND1-SD 3.08Å; H61-M157 VanDerWaalsContact ND1-SD 3.39Å; Y149-M157 HydrophobicContact CD1-CE 4.28Å; Y149-M157 HydrophobicContact CD2-CE 3.71Å; Y149-M157 HydrophobicContact CE1-CE 3.89Å; Y149-M157 HydrophobicContact CE2-CE 3.28Å; Y149-M157 HydrophobicContact CG-CE 4.2Å; E153-M157 HydrophobicContact CB-CE 4.29Å; E153-M157 HydrophobicContact CG-CE 3.83Å; E153-M157 HydrophobicContact CG-CG 4.49Å; E153-M157 HydrophobicContact CG-SD 4.41Å; E153-M157 WeakPolarHBondContact O-CB 3.5Å; E153-M157 WeakPolarHBondContact O-CE 3.48Å; E153-M157 VanDerWaalsContact O-CG 3.29Å; E153-M157 WeakPolarHBondContact O-CG 3.4Å; E153-M157 PolarHBondContact O-N 3.27Å; A154-M157 PolarHBondContact O-N 3.45Å; M157-W159 PolarHBondContact O-N 3.4Å; M157-L161 WeakPolarHBondContact O-CB 3.42Å; M157-L161 PolarHBondContact O-N 3.46Å
158	A	98.3	Very high	97.2	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-45.2	179.1	0	0	0	0	0	111.9	A154 C155 L161 L162 I230 W255 L257	A154-A158 WeakPolarHBondContact O-CB 3.25Å; A154-A158 PolarHBondContact O-N 2.88Å; C155-A158 PolarHBondContact O-N 3.3Å; A158-L161 PolarHBondContact O-N 2.91Å; A158-L162 WeakPolarHBondContact O-CG 3.19Å; A158-L162 PolarHBondContact O-N 3.3Å; A158-L162 VanDerWaalsContact O-N 3.08Å; A158-I230 HydrophobicContact CB-CD1 3.94Å; A158-W255 VanDerWaalsContact CA-CZ3 3.45Å; A158-W255 HydrophobicContact CB-CD2 4.35Å; A158-W255 HydrophobicContact CB-CE3 3.89Å; A158-W255 HydrophobicContact CB-CH2 3.84Å; A158-W255 HydrophobicContact CB-CZ2 4.3Å; A158-W255 HydrophobicContact CB-CZ3 3.63Å; A158-L257 HydrophobicContact CB-CD1 4.2Å; A158-L257 HydrophobicContact CB-CD2 3.92Å
159	W	98.3	Very high	97.2	Very high	30 Å²	30	35 Å²	35	11%	0.114	18%	0.175	C	C	.	.	H	α-helix	trans	-64.3	-46.7	179.6	-164.1	-108.5	0	0	0	112.8	C155 R156 M157 L162 T163 A170 L173 V175 W196 L199 V201	C155-W159 WeakPolarHBondContact O-CB 2.99Å; C155-W159 PolarHBondContact O-N 2.87Å; R156-W159 PolarHBondContact O-N 3.17Å; M157-W159 PolarHBondContact O-N 3.4Å; W159-L162 PolarHBondContact O-N 3.28Å; W159-T163 HydrophobicContact CD2-CG2 4.15Å; W159-T163 HydrophobicContact CZ2-CG2 4.12Å; W159-T163 WeakPolarHBondContact O-CB 3.3Å; W159-T163 PolarHBondContact O-N 2.82Å; W159-T163 PolarHBondContact O-OG1 3.13Å; W159-A170 HydrophobicContact CH2-CB 4.37Å; W159-A170 HydrophobicContact CZ2-CB 3.81Å; W159-L173 HydrophobicContact CE3-CD1 4.23Å; W159-L173 HydrophobicContact CH2-CB 3.83Å; W159-L173 HydrophobicContact CH2-CD1 3.9Å; W159-L173 HydrophobicContact CH2-CG 4.5Å; W159-L173 HydrophobicContact CZ3-CB 3.83Å; W159-L173 HydrophobicContact CZ3-CD1 3.64Å; W159-L173 HydrophobicContact CZ3-CG 4.4Å; W159-V175 HydrophobicContact CZ3-CG1 4.14Å; W159-W196 HydrophobicContact CB-CZ3 4.13Å; W159-W196 HydrophobicContact CD2-CZ3 4.21Å; W159-W196 HydrophobicContact CE3-CE3 4.4Å; W159-W196 HydrophobicContact CE3-CH2 4.49Å; W159-W196 AromaticContact CE3-CZ3 3.71Å; W159-W196 HydrophobicContact CE3-CZ3 3.71Å; W159-W196 HydrophobicContact CG-CZ3 4.42Å; W159-W196 HydrophobicContact CZ3-CZ3 4.48Å; W159-L199 HydrophobicContact CB-CD1 4.42Å; W159-V201 HydrophobicContact CE3-CG2 4.36Å; W159-V201 HydrophobicContact CH2-CG2 3.71Å; W159-V201 HydrophobicContact CZ2-CG2 3.87Å; W159-V201 HydrophobicContact CZ3-CG2 3.97Å
160	S	97.8	Very high	97.1	Very high	17 Å²	17	36.9 Å²	36.9	12%	0.119	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-42.9	177.4	171.1	0	0	0	0	111.3	R156 L162 E164 H165	R156-S160 WeakPolarHBondContact O-CB 3.46Å; R156-S160 PolarHBondContact O-N 2.9Å; S160-L162 PolarHBondContact O-N 3.08Å; S160-E164 WeakPolarHBondContact O-CA 3.49Å; S160-E164 VanDerWaalsContact O-CB 3.26Å; S160-E164 WeakPolarHBondContact O-CB 3.43Å; S160-E164 PolarHBondContact O-N 2.96Å; S160-E164 PolarHBondContact OG-OE2 3.35Å; S160-H165 PolarHBondContact O-N 3.25Å
161	L	98.1	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	I	π-helix	trans	-60.8	-46.3	178.2	-178.4	56.4	0	0	0	111.9	F53 F56 F57 M157 A158 H165 Y166 W255 M282	F53-L161 HydrophobicContact CD2-CD2 3.64Å; F53-L161 HydrophobicContact CE2-CD2 4.17Å; F56-L161 HydrophobicContact CB-CD1 3.96Å; F56-L161 HydrophobicContact CD1-CB 4.2Å; F56-L161 HydrophobicContact CD1-CD1 3.95Å; F56-L161 HydrophobicContact CD1-CD2 3.96Å; F56-L161 HydrophobicContact CD1-CG 4.25Å; F56-L161 HydrophobicContact CD2-CD1 4.07Å; F56-L161 HydrophobicContact CE1-CB 3.87Å; F56-L161 HydrophobicContact CE1-CD1 4.46Å; F56-L161 HydrophobicContact CE1-CD2 4.3Å; F56-L161 HydrophobicContact CE1-CG 4.42Å; F56-L161 HydrophobicContact CE2-CB 4.45Å; F56-L161 HydrophobicContact CG-CD1 3.74Å; F56-L161 HydrophobicContact CZ-CB 4.01Å; F57-L161 HydrophobicContact CE2-CD2 3.96Å; M157-L161 WeakPolarHBondContact O-CB 3.42Å; M157-L161 PolarHBondContact O-N 3.46Å; A158-L161 PolarHBondContact O-N 2.91Å; L161-H165 HydrophobicContact CD1-CB 3.77Å; L161-H165 VanDerWaalsContact O-CB 3.31Å; L161-H165 WeakPolarHBondContact O-CB 3.18Å; L161-Y166 HydrophobicContact CD1-CD2 4.04Å; L161-Y166 HydrophobicContact CD1-CE2 3.68Å; L161-Y166 HydrophobicContact CD2-CE2 4.06Å; L161-Y166 HydrophobicContact CG-CD2 3.92Å; L161-Y166 HydrophobicContact CG-CE2 3.61Å; L161-Y166 VanDerWaalsContact O-CD2 3.25Å; L161-Y166 WeakPolarHBondContact O-CD2 3.29Å; L161-Y166 PolarHBondContact O-N 2.71Å; L161-W255 HydrophobicContact CB-CH2 4.47Å; L161-W255 HydrophobicContact CB-CZ3 4.28Å; L161-W255 HydrophobicContact CD2-CH2 3.68Å; L161-W255 HydrophobicContact CD2-CZ3 3.92Å; L161-W255 HydrophobicContact CG-CZ3 4.43Å; L161-M282 HydrophobicContact CD2-CE 4.48Å
162	L	97.9	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-69.5	-46.9	-179.5	-65.8	177.1	0	0	0	112.3	A158 W159 S160 Y166 G167 I168 L173 I230 I254 W255 M282 L287	A158-L162 WeakPolarHBondContact O-CG 3.19Å; A158-L162 PolarHBondContact O-N 3.3Å; A158-L162 VanDerWaalsContact O-N 3.08Å; W159-L162 PolarHBondContact O-N 3.28Å; S160-L162 PolarHBondContact O-N 3.08Å; L162-Y166 HydrophobicContact CD2-CD2 4.33Å; L162-Y166 WeakPolarHBondContact O-CB 3.42Å; L162-G167 PolarHBondContact O-N 2.78Å; L162-I168 HydrophobicContact CB-CD1 4.36Å; L162-I168 HydrophobicContact CD2-CD1 3.91Å; L162-I168 WeakPolarHBondContact O-CB 3.31Å; L162-I168 PolarHBondContact O-N 2.6Å; L162-L173 HydrophobicContact CB-CD1 4.34Å; L162-L173 HydrophobicContact CD1-CD1 4.43Å; L162-I230 HydrophobicContact CD1-CB 4.46Å; L162-I230 HydrophobicContact CD1-CD1 3.84Å; L162-I230 HydrophobicContact CD1-CG2 3.8Å; L162-I254 HydrophobicContact CD1-CD1 3.96Å; L162-I254 HydrophobicContact CD2-CD1 4.06Å; L162-W255 HydrophobicContact CD1-CE3 4.02Å; L162-W255 HydrophobicContact CD2-CE3 4.11Å; L162-W255 HydrophobicContact CD2-CZ3 4.36Å; L162-W255 HydrophobicContact CG-CE3 3.99Å; L162-W255 HydrophobicContact CG-CZ3 4.12Å; L162-M282 HydrophobicContact CD2-SD 4.28Å; L162-L287 HydrophobicContact CD2-CD1 4.16Å
163	T	97.1	Very high	96.9	Very high	29 Å²	29	36.4 Å²	36.4	18%	0.178	19%	0.19	C	C	.	.	I	π-helix	trans	-88.8	-38.7	-169.7	60.4	0	0	0	0	113.7	W159 G167 A170 L173	W159-T163 HydrophobicContact CD2-CG2 4.15Å; W159-T163 HydrophobicContact CZ2-CG2 4.12Å; W159-T163 WeakPolarHBondContact O-CB 3.3Å; W159-T163 PolarHBondContact O-N 2.82Å; W159-T163 PolarHBondContact O-OG1 3.13Å; T163-G167 VanDerWaalsContact O-CA 3.27Å; T163-G167 WeakPolarHBondContact O-CA 3.39Å; T163-A170 HydrophobicContact CG2-CB 4.09Å; T163-L173 HydrophobicContact CG2-CD1 3.87Å
164	E	95.6	Very high	96.9	Very high	142 Å²	142	33.7 Å²	33.7	66%	0.664	18%	0.178	S	C	*	.	I	π-helix	trans	-95.1	-40	-174.1	-55.2	174.3	176.9	0	0	112	S160	S160-E164 WeakPolarHBondContact O-CA 3.49Å; S160-E164 VanDerWaalsContact O-CB 3.26Å; S160-E164 WeakPolarHBondContact O-CB 3.43Å; S160-E164 PolarHBondContact O-N 2.96Å; S160-E164 PolarHBondContact OG-OE2 3.35Å
165	H	95	Very high	96.9	Very high	71 Å²	71	33.5 Å²	33.5	33%	0.329	18%	0.177	S	C	.	.	I	π-helix	trans	-89.4	-47.7	-175	-81.3	-88.3	0	0	0	113.1	F56 Q60 S160 L161	F56-H165 AromaticContact CD2-CD2 3.69Å; F56-H165 AromaticContact CD2-CE1 3.87Å; F56-H165 AromaticContact CD2-NE2 3.62Å; F56-H165 AromaticContact CE2-CD2 3.56Å; F56-H165 AromaticContact CE2-NE2 3.59Å; Q60-H165 PolarHBondContact NE2-CE1 2.98Å; Q60-H165 PolarHBondContact NE2-NE2 3.17Å; Q60-H165 VanDerWaalsContact NE2-NE2 3.17Å; Q60-H165 PolarHBondContact OE1-NE2 2.88Å; S160-H165 PolarHBondContact O-N 3.25Å; L161-H165 HydrophobicContact CD1-CB 3.77Å; L161-H165 VanDerWaalsContact O-CB 3.31Å; L161-H165 WeakPolarHBondContact O-CB 3.18Å
166	Y	96.1	Very high	96.9	Very high	13 Å²	13	33.5 Å²	33.5	5%	0.051	18%	0.177	C	C	.	.	S	Bend	trans	-84.8	-17.2	173.4	-70.7	-54.3	0	0	0	113.3	L44 V49 T52 F53 L161 L162 I168 L287 L291	L44-Y166 HydrophobicContact CD1-CD1 4.18Å; V49-Y166 HydrophobicContact CG1-CE1 4.05Å; V49-Y166 PolarHBondContact O-OH 2.97Å; T52-Y166 HydrophobicContact CG2-CD1 4.36Å; T52-Y166 HydrophobicContact CG2-CE1 3.73Å; F53-Y166 PolarHBondContact N-OH 3.06Å; L161-Y166 HydrophobicContact CD1-CD2 4.04Å; L161-Y166 HydrophobicContact CD1-CE2 3.68Å; L161-Y166 HydrophobicContact CD2-CE2 4.06Å; L161-Y166 HydrophobicContact CG-CD2 3.92Å; L161-Y166 HydrophobicContact CG-CE2 3.61Å; L161-Y166 VanDerWaalsContact O-CD2 3.25Å; L161-Y166 WeakPolarHBondContact O-CD2 3.29Å; L161-Y166 PolarHBondContact O-N 2.71Å; L162-Y166 HydrophobicContact CD2-CD2 4.33Å; L162-Y166 WeakPolarHBondContact O-CB 3.42Å; Y166-I168 VanDerWaalsContact C-N 3.32Å; Y166-L287 HydrophobicContact CD2-CD2 4.43Å; Y166-L287 HydrophobicContact CE2-CD2 3.84Å; Y166-L291 HydrophobicContact CD1-CD1 3.6Å; Y166-L291 HydrophobicContact CD1-CD2 4.46Å; Y166-L291 HydrophobicContact CE1-CD1 3.97Å; Y166-L291 HydrophobicContact CG-CD1 4.05Å; Y166-L291 HydrophobicContact CG-CD2 4.37Å
167	G	95.2	Very high	96.9	Very high	39 Å²	39	29.8 Å²	29.8	40%	0.402	16%	0.163	S	C	.	.			trans	72.8	23.4	177.7	0	0	0	0	0	113.7	L162 T163 P169	L162-G167 PolarHBondContact O-N 2.78Å; T163-G167 VanDerWaalsContact O-CA 3.27Å; T163-G167 WeakPolarHBondContact O-CA 3.39Å; G167-P169 WeakPolarHBondContact O-CD 3.25Å
168	I	95.8	Very high	96.9	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.163	C	C	.	.			trans	-69.1	126.9	177	-61	173.8	0	0	0	108.7	L162 Y166 A170 L173 Y232 L287 V290 L291	L162-I168 HydrophobicContact CB-CD1 4.36Å; L162-I168 HydrophobicContact CD2-CD1 3.91Å; L162-I168 WeakPolarHBondContact O-CB 3.31Å; L162-I168 PolarHBondContact O-N 2.6Å; Y166-I168 VanDerWaalsContact C-N 3.32Å; I168-A170 PolarHBondContact O-N 2.93Å; I168-L173 HydrophobicContact CG2-CD1 4.33Å; I168-L173 HydrophobicContact CG2-CD2 3.97Å; I168-L173 HydrophobicContact CG2-CG 4.17Å; I168-Y232 HydrophobicContact CG2-CD2 3.79Å; I168-Y232 HydrophobicContact CG2-CE2 3.77Å; I168-L287 HydrophobicContact CD1-CD1 4.04Å; I168-V290 HydrophobicContact CD1-CG1 4.21Å; I168-L291 HydrophobicContact CD1-CD2 4.03Å; I168-L291 HydrophobicContact CG1-CD2 3.81Å
169	P	94.9	Very high	96.8	Very high	42 Å²	42	31.3 Å²	31.3	27%	0.273	18%	0.178	S	C	.	.			trans	-59.7	122.8	179	-23.6	32.7	0	0	0	111.5	F41 G167 D171 R172	F41-P169 HydrophobicContact CD2-CG 4.43Å; F41-P169 HydrophobicContact CE2-CG 4.27Å; G167-P169 WeakPolarHBondContact O-CD 3.25Å; P169-D171 WeakPolarHBondContact CB-OD1 3.45Å; P169-D171 PolarHBondContact O-N 2.93Å; P169-R172 HydrophobicContact CB-CG 4.19Å; P169-R172 WeakPolarHBondContact O-CB 3.38Å; P169-R172 PolarHBondContact O-N 3.25Å
170	A	95.5	Very high	96.6	Very high	47 Å²	47	30.7 Å²	30.7	39%	0.388	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-59	-30.4	-179.8	0	0	0	0	0	112.6	W159 T163 I168 R172 L173	W159-A170 HydrophobicContact CH2-CB 4.37Å; W159-A170 HydrophobicContact CZ2-CB 3.81Å; T163-A170 HydrophobicContact CG2-CB 4.09Å; I168-A170 PolarHBondContact O-N 2.93Å; A170-R172 PolarHBondContact O-N 3.16Å; A170-L173 PolarHBondContact O-N 2.85Å; A170-L173 VanDerWaalsContact O-N 3.12Å
171	D	94.7	Very high	96.3	Very high	92 Å²	92	31.6 Å²	31.6	49%	0.492	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-74	4.1	175.1	74.7	-50.1	0	0	0	113.7	P169 R205	P169-D171 WeakPolarHBondContact CB-OD1 3.45Å; P169-D171 PolarHBondContact O-N 2.93Å; D171-R205 PolarHBondContact O-NH1 3.28Å; D171-R205 PolarHBondContact O-NH2 2.72Å
172	R	95.6	Very high	95.8	Very high	64 Å²	64	36.4 Å²	36.4	24%	0.242	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-107.7	-6.1	167	-65.4	-172.6	171.5	-144.2	-10.7	113.9	P169 A170 Y232 D233	P169-R172 HydrophobicContact CB-CG 4.19Å; P169-R172 WeakPolarHBondContact O-CB 3.38Å; P169-R172 PolarHBondContact O-N 3.25Å; A170-R172 PolarHBondContact O-N 3.16Å; R172-Y232 HydrophobicContact CB-CD2 3.84Å; R172-Y232 HydrophobicContact CB-CE2 3.52Å; R172-Y232 WeakPolarHBondContact CD-OH 3.33Å; R172-Y232 HydrophobicContact CG-CE2 4.21Å; R172-Y232 PolarHBondContact NH1-OH 3.09Å; R172-D233 PolarHBondContact O-N 3.27Å
173	L	97.6	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.6	-177.9	-62.2	176.1	0	0	0	111.6	W159 L162 T163 I168 A170 R205 I230 H231 Y232 I254	W159-L173 HydrophobicContact CE3-CD1 4.23Å; W159-L173 HydrophobicContact CH2-CB 3.83Å; W159-L173 HydrophobicContact CH2-CD1 3.9Å; W159-L173 HydrophobicContact CH2-CG 4.5Å; W159-L173 HydrophobicContact CZ3-CB 3.83Å; W159-L173 HydrophobicContact CZ3-CD1 3.64Å; W159-L173 HydrophobicContact CZ3-CG 4.4Å; L162-L173 HydrophobicContact CB-CD1 4.34Å; L162-L173 HydrophobicContact CD1-CD1 4.43Å; T163-L173 HydrophobicContact CG2-CD1 3.87Å; I168-L173 HydrophobicContact CG2-CD1 4.33Å; I168-L173 HydrophobicContact CG2-CD2 3.97Å; I168-L173 HydrophobicContact CG2-CG 4.17Å; A170-L173 PolarHBondContact O-N 2.85Å; A170-L173 VanDerWaalsContact O-N 3.12Å; L173-R205 WeakPolarHBondContact O-CD 3.24Å; L173-R205 PolarHBondContact O-NH1 3.07Å; L173-R205 VanDerWaalsContact O-NH1 3.1Å; L173-I230 HydrophobicContact CD2-CG2 4.09Å; L173-H231 WeakPolarHBondContact CA-O 3.43Å; L173-Y232 HydrophobicContact CD2-CD2 4.07Å; L173-I254 HydrophobicContact CD2-CD1 4.12Å
174	Y	98.4	Very high	94.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.2	170.1	-64.5	-101.9	0	0	0	107.7	R205 L207 I230 H231 D233 R238 N239 A240 A241 V244	Y174-R205 HydrophobicContact CD1-CB 3.77Å; Y174-R205 HydrophobicContact CD1-CG 3.82Å; Y174-R205 HydrophobicContact CE1-CB 4.16Å; Y174-R205 HydrophobicContact CE1-CG 3.66Å; Y174-R205 HydrophobicContact CG-CB 4.43Å; Y174-L207 HydrophobicContact CD1-CD1 4.49Å; Y174-I230 WeakPolarHBondContact O-CA 3.35Å; Y174-H231 PolarHBondContact N-O 3.24Å; Y174-H231 PolarHBondContact O-N 3.12Å; Y174-D233 HydrophobicContact CE2-CB 4.08Å; Y174-R238 PolarHBondContact OH-O 3.2Å; Y174-R238 VanDerWaalsContact OH-O 3.09Å; Y174-N239 WeakPolarHBondContact OH-CA 3.02Å; Y174-A240 HydrophobicContact CE2-CB 4Å; Y174-A240 PolarHBondContact OH-N 2.94Å; Y174-A241 HydrophobicContact CD1-CB 4.45Å; Y174-A241 HydrophobicContact CE1-CB 4.23Å; Y174-V244 HydrophobicContact CD1-CG2 4.26Å; Y174-V244 HydrophobicContact CG-CG2 4Å
175	V	98.4	Very high	93.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.5	178.8	-58.1	0	0	0	0	110.1	W159 W196 V201 R205 V206 L207 E229 I230	W159-V175 HydrophobicContact CZ3-CG1 4.14Å; V175-W196 HydrophobicContact CB-CD2 4.02Å; V175-W196 HydrophobicContact CB-CG 4.22Å; V175-W196 HydrophobicContact CB-CZ2 4.4Å; V175-W196 HydrophobicContact CG1-CD2 4.01Å; V175-W196 HydrophobicContact CG1-CE3 4.03Å; V175-W196 HydrophobicContact CG1-CH2 4.19Å; V175-W196 HydrophobicContact CG1-CZ2 4.13Å; V175-W196 HydrophobicContact CG1-CZ3 4.13Å; V175-W196 HydrophobicContact CG2-CB 3.89Å; V175-W196 HydrophobicContact CG2-CD2 3.77Å; V175-W196 HydrophobicContact CG2-CE3 4.36Å; V175-W196 HydrophobicContact CG2-CG 3.53Å; V175-V201 HydrophobicContact CG2-CG1 3.98Å; V175-R205 PolarHBondContact N-O 3.07Å; V175-V206 HydrophobicContact CG2-CB 4.28Å; V175-V206 HydrophobicContact CG2-CG1 4.3Å; V175-V206 HydrophobicContact CG2-CG2 3.84Å; V175-V206 CarbonylContact O-C 3.55Å; V175-V206 WeakPolarHBondContact O-CA 3.5Å; V175-L207 PolarHBondContact O-N 3.34Å; V175-E229 CarbonylContact C-O 3.51Å; V175-E229 VanDerWaalsContact CA-O 3.28Å; V175-E229 WeakPolarHBondContact CA-O 3.35Å; V175-I230 HydrophobicContact CG1-CG1 4.24Å; V175-I230 HydrophobicContact CG1-CG2 4.4Å
176	S	98.1	Very high	93.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	164.6	178.1	63.4	0	0	0	0	112.7	L207 N214 T228 E229	S176-L207 CarbonylContact C-O 3.54Å; S176-L207 WeakPolarHBondContact CA-O 3.21Å; S176-N214 WeakPolarHBondContact CB-OD1 3.49Å; S176-N214 PolarHBondContact OG-ND2 2.91Å; S176-N214 PolarHBondContact OG-OD1 3.37Å; S176-T228 WeakPolarHBondContact O-CA 3.35Å; S176-T228 WeakPolarHBondContact O-CB 3.39Å; S176-T228 PolarHBondContact O-OG1 3.27Å; S176-E229 PolarHBondContact N-O 3.3Å; S176-E229 VanDerWaalsContact OG-CB 3.29Å; S176-E229 WeakPolarHBondContact OG-CB 3.27Å; S176-E229 PolarHBondContact OG-N 2.94Å; S176-E229 PolarHBondContact OG-O 3.02Å
177	Y	98.1	Very high	93.5	Very high	32 Å²	32	41.3 Å²	41.3	13%	0.125	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	157.4	169.5	72.3	-80.4	0	0	0	110.5	G179 D189 R193 V206 L207 P208 F209 N214	Y177-G179 PolarHBondContact O-N 3.27Å; Y177-G179 VanDerWaalsContact O-N 3.16Å; Y177-D189 WeakPolarHBondContact CD2-O 3.38Å; Y177-R193 HydrophobicContact CD1-CB 4Å; Y177-R193 HydrophobicContact CD1-CG 4.41Å; Y177-R193 HydrophobicContact CD2-CB 3.99Å; Y177-R193 HydrophobicContact CE1-CB 4.09Å; Y177-R193 HydrophobicContact CE1-CG 4.11Å; Y177-R193 HydrophobicContact CE2-CB 4.08Å; Y177-R193 HydrophobicContact CG-CB 3.94Å; Y177-V206 HydrophobicContact CD1-CG1 3.91Å; Y177-V206 HydrophobicContact CE1-CG1 4.21Å; Y177-L207 WeakPolarHBondContact CD1-O 3.44Å; Y177-L207 PolarHBondContact N-O 3.11Å; Y177-P208 HydrophobicContact CE1-CB 3.81Å; Y177-P208 HydrophobicContact CE1-CG 4.35Å; Y177-P208 HydrophobicContact CE2-CB 4.2Å; Y177-P208 WeakPolarHBondContact O-CA 3.38Å; Y177-F209 PolarHBondContact O-N 3.46Å; Y177-N214 PolarHBondContact O-OD1 3.07Å
178	F	97.8	Very high	93.6	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.022	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	113.8	178.7	-176.2	-119.8	0	0	0	111.7	G180 D181 L186 A188 D189 L211 N214 F215 P226	F178-G180 VanDerWaalsContact CE1-CA 3.46Å; F178-G180 PolarHBondContact O-N 3.23Å; F178-D181 HydrophobicContact CZ-CB 4.25Å; F178-L186 HydrophobicContact CE1-CB 3.88Å; F178-L186 HydrophobicContact CE1-CD1 4.44Å; F178-L186 HydrophobicContact CZ-CB 4.05Å; F178-L186 HydrophobicContact CZ-CD1 4.17Å; F178-A188 CarbonylContact O-C 3.57Å; F178-A188 WeakPolarHBondContact O-CA 3.41Å; F178-D189 HydrophobicContact CB-CB 4.02Å; F178-D189 PolarHBondContact O-N 3.2Å; F178-L211 HydrophobicContact CE2-CD2 4.07Å; F178-L211 HydrophobicContact CE2-CG 4.35Å; F178-L211 HydrophobicContact CZ-CD2 4.1Å; F178-N214 HydrophobicContact CB-CB 3.97Å; F178-N214 WeakPolarHBondContact CB-O 3.4Å; F178-N214 HydrophobicContact CD2-CB 4.11Å; F178-N214 WeakPolarHBondContact CD2-O 3.32Å; F178-F215 HydrophobicContact CD2-CB 4.18Å; F178-F215 HydrophobicContact CE1-CD2 4.32Å; F178-F215 HydrophobicContact CE2-CB 3.93Å; F178-F215 HydrophobicContact CE2-CD2 4.18Å; F178-F215 HydrophobicContact CZ-CD2 4.04Å; F178-P226 HydrophobicContact CB-CB 3.76Å; F178-P226 HydrophobicContact CD1-CB 3.99Å; F178-P226 HydrophobicContact CG-CB 4Å
179	G	96.3	Very high	93.6	Very high	33 Å²	33	41.7 Å²	41.7	34%	0.34	29%	0.292	S	S	.	.			trans	-77.9	-0.8	-179.4	0	0	0	0	0	114.7	Y177 A188 F209	Y177-G179 PolarHBondContact O-N 3.27Å; Y177-G179 VanDerWaalsContact O-N 3.16Å; G179-A188 WeakPolarHBondContact O-CB 3.21Å; G179-F209 PolarHBondContact N-O 3.03Å
180	G	93.6	Very high	93.7	Very high	16 Å²	16	45 Å²	45	17%	0.165	30%	0.304	C	S	.	.			trans	90.2	166.9	-176.5	0	0	0	0	0	113	F178 L186	F178-G180 VanDerWaalsContact CE1-CA 3.46Å; F178-G180 PolarHBondContact O-N 3.23Å; G180-L186 WeakPolarHBondContact CA-O 3.25Å
181	D	92.4	Very high	93.8	Very high	36 Å²	36	47.7 Å²	47.7	19%	0.193	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-146.8	107.2	170.8	179.3	60.9	0	0	0	110.2	F178 S183 S184 G185 L186 L211	F178-D181 HydrophobicContact CZ-CB 4.25Å; D181-S183 PolarHBondContact O-N 3.47Å; D181-S183 PolarHBondContact OD1-OG 3.38Å; D181-S183 PolarHBondContact OD2-N 3.36Å; D181-S183 PolarHBondContact OD2-OG 3.41Å; D181-S184 PolarHBondContact O-N 2.84Å; D181-S184 WeakPolarHBondContact OD2-CB 3.25Å; D181-S184 PolarHBondContact OD2-N 2.87Å; D181-S184 PolarHBondContact OD2-OG 3.01Å; D181-G185 PolarHBondContact O-N 3.42Å; D181-L186 CarbonylContact C-O 3.57Å; D181-L186 PolarHBondContact N-O 2.87Å; D181-L186 PolarHBondContact O-N 2.89Å; D181-L211 HydrophobicContact CB-CD1 3.78Å; D181-L211 HydrophobicContact CB-CD2 4.33Å; D181-L211 HydrophobicContact CB-CG 3.71Å; D181-L211 VanDerWaalsContact CG-CD1 3.43Å; D181-L211 WeakPolarHBondContact OD2-CD1 3.41Å
182	A	88.3	Confident	94	Very high	102 Å²	102	43.3 Å²	43.3	84%	0.843	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-64.7	-30.3	-177.9	0	0	0	0	0	112.3	S184 G185	A182-S184 VanDerWaalsContact C-N 3.31Å; A182-S184 PolarHBondContact O-N 3.27Å; A182-G185 PolarHBondContact O-N 2.96Å
183	S	83.9	Confident	94.1	Very high	107 Å²	107	44.5 Å²	44.5	75%	0.748	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-68	-31.7	-178.5	78.3	0	0	0	0	112.9	D181	D181-S183 PolarHBondContact O-N 3.47Å; D181-S183 PolarHBondContact OD1-OG 3.38Å; D181-S183 PolarHBondContact OD2-N 3.36Å; D181-S183 PolarHBondContact OD2-OG 3.41Å
184	S	80.5	Confident	94.1	Very high	58 Å²	58	47.3 Å²	47.3	41%	0.406	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-98.6	4.2	176.8	-51.2	0	0	0	0	113.2	D181 A182 L186	D181-S184 PolarHBondContact O-N 2.84Å; D181-S184 WeakPolarHBondContact OD2-CB 3.25Å; D181-S184 PolarHBondContact OD2-N 2.87Å; D181-S184 PolarHBondContact OD2-OG 3.01Å; A182-S184 VanDerWaalsContact C-N 3.31Å; A182-S184 PolarHBondContact O-N 3.27Å; S184-L186 VanDerWaalsContact C-N 3.29Å; S184-L186 PolarHBondContact O-N 3.4Å
185	G	85.5	Confident	94.1	Very high	70 Å²	70	48.2 Å²	48.2	72%	0.722	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	24.2	-178.4	0	0	0	0	0	114.5	D181 A182	D181-G185 PolarHBondContact O-N 3.42Å; A182-G185 PolarHBondContact O-N 2.96Å
186	L	90.4	Very high	94.1	Very high	21 Å²	21	48.2 Å²	48.2	11%	0.11	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-99.5	125.9	-177.7	-66	172.7	0	0	0	111.2	F178 G180 D181 S184 L211 F215 Y262 L270	F178-L186 HydrophobicContact CE1-CB 3.88Å; F178-L186 HydrophobicContact CE1-CD1 4.44Å; F178-L186 HydrophobicContact CZ-CB 4.05Å; F178-L186 HydrophobicContact CZ-CD1 4.17Å; G180-L186 WeakPolarHBondContact CA-O 3.25Å; D181-L186 CarbonylContact C-O 3.57Å; D181-L186 PolarHBondContact N-O 2.87Å; D181-L186 PolarHBondContact O-N 2.89Å; S184-L186 VanDerWaalsContact C-N 3.29Å; S184-L186 PolarHBondContact O-N 3.4Å; L186-L211 HydrophobicContact CD1-CD2 4.04Å; L186-F215 HydrophobicContact CD1-CD2 4.02Å; L186-F215 HydrophobicContact CD1-CE2 3.6Å; L186-F215 HydrophobicContact CD1-CZ 4.15Å; L186-Y262 HydrophobicContact CD2-CE2 4.28Å; L186-L270 HydrophobicContact CD1-CD1 3.93Å; L186-L270 HydrophobicContact CD2-CD1 3.88Å; L186-L270 HydrophobicContact CG-CD1 4.31Å
187	S	93.1	Very high	94.2	Very high	101 Å²	101	50.9 Å²	50.9	71%	0.706	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-77.7	156.9	176.5	58.2	0	0	0	0	112.5
188	A	95.8	Very high	94.1	Very high	35 Å²	35	57.2 Å²	57.2	29%	0.289	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-61.1	141.2	170.8	0	0	0	0	0	111.8	F178 G179 Q190	F178-A188 CarbonylContact O-C 3.57Å; F178-A188 WeakPolarHBondContact O-CA 3.41Å; G179-A188 WeakPolarHBondContact O-CB 3.21Å; A188-Q190 VanDerWaalsContact C-N 3.3Å; A188-Q190 HydrophobicContact CB-CG 4.43Å; A188-Q190 PolarHBondContact O-N 3.48Å
189	D	96.7	Very high	94.1	Very high	14 Å²	14	59.2 Å²	59.2	8%	0.075	36%	0.364	C	S	.	.			trans	-82.5	71.9	176.6	-170.5	4.5	0	0	0	111.1	K151 Y177 F178 E191 T192 R193	K151-D189 WeakPolarHBondContact CE-OD2 3.16Å; K151-D189 VanDerWaalsContact NZ-CG 3.3Å; K151-D189 IonicContact NZ-OD1 3.45Å; K151-D189 PolarHBondContact NZ-OD1 3.02Å; K151-D189 IonicContact NZ-OD2 3.04Å; K151-D189 PolarHBondContact NZ-OD2 3.41Å; Y177-D189 WeakPolarHBondContact CD2-O 3.38Å; F178-D189 HydrophobicContact CB-CB 4.02Å; F178-D189 PolarHBondContact O-N 3.2Å; D189-E191 PolarHBondContact O-N 2.98Å; D189-T192 PolarHBondContact O-N 2.9Å; D189-T192 PolarHBondContact OD1-N 3.11Å; D189-T192 PolarHBondContact OD1-OG1 2.84Å; D189-T192 WeakPolarHBondContact OD2-CB 3.11Å; D189-T192 PolarHBondContact OD2-OG1 2.92Å; D189-R193 PolarHBondContact O-N 3.25Å
190	Q	97.4	Very high	94.1	Very high	113 Å²	113	60.3 Å²	60.3	53%	0.528	38%	0.376	S	S	.	.	H	α-helix	trans	-65.4	-28.2	-179.6	-61.7	-166	21.2	0	0	112.7	A188 R193 D194	A188-Q190 VanDerWaalsContact C-N 3.3Å; A188-Q190 HydrophobicContact CB-CG 4.43Å; A188-Q190 PolarHBondContact O-N 3.48Å; Q190-R193 WeakPolarHBondContact O-CB 3.44Å; Q190-R193 PolarHBondContact O-N 3.33Å; Q190-D194 VanDerWaalsContact O-CG 3.32Å; Q190-D194 PolarHBondContact O-N 2.89Å
191	E	97.4	Very high	94.3	Very high	102 Å²	102	59.8 Å²	59.8	48%	0.477	37%	0.37	S	S	.	.	H	α-helix	trans	-58.5	-49.7	176.2	-176.4	-170.5	-178.7	0	0	111	K151 D189 R193 D194 I195	K151-E191 VanDerWaalsContact CD-CD 3.47Å; K151-E191 HydrophobicContact CD-CG 4.14Å; K151-E191 WeakPolarHBondContact CD-OE2 3.17Å; K151-E191 IonicContact NZ-OE2 2.61Å; K151-E191 PolarHBondContact NZ-OE2 2.7Å; D189-E191 PolarHBondContact O-N 2.98Å; E191-R193 PolarHBondContact O-N 2.81Å; E191-D194 PolarHBondContact O-N 3.23Å; E191-I195 HydrophobicContact CG-CD1 4.02Å; E191-I195 WeakPolarHBondContact O-CD1 3.43Å; E191-I195 VanDerWaalsContact O-CG1 3.27Å; E191-I195 WeakPolarHBondContact O-CG1 3.41Å; E191-I195 PolarHBondContact O-N 3.23Å
192	T	98	Very high	94.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-63.2	-40.4	178	-64.9	0	0	0	0	112.2	D189 D194 I195 W196 T228 F259	D189-T192 PolarHBondContact O-N 2.9Å; D189-T192 PolarHBondContact OD1-N 3.11Å; D189-T192 PolarHBondContact OD1-OG1 2.84Å; D189-T192 WeakPolarHBondContact OD2-CB 3.11Å; D189-T192 PolarHBondContact OD2-OG1 2.92Å; T192-D194 PolarHBondContact O-N 3.2Å; T192-I195 PolarHBondContact O-N 3.29Å; T192-W196 PolarHBondContact O-N 2.95Å; T192-T228 HydrophobicContact CG2-CG2 3.99Å; T192-F259 HydrophobicContact CG2-CE2 3.91Å; T192-F259 HydrophobicContact CG2-CZ 4.43Å; T192-F259 VanDerWaalsContact OG1-CE2 3.32Å; T192-F259 WeakPolarHBondContact OG1-CE2 3.34Å
193	R	98.3	Very high	94.9	Very high	89 Å²	89	60 Å²	60	34%	0.336	37%	0.371	S	S	.	.	H	α-helix	trans	-56.9	-50	173.4	170.3	-171.7	150.2	-134	-13.1	110.9	Y177 D189 Q190 E191 I195 W196 L197 V206	Y177-R193 HydrophobicContact CD1-CB 4Å; Y177-R193 HydrophobicContact CD1-CG 4.41Å; Y177-R193 HydrophobicContact CD2-CB 3.99Å; Y177-R193 HydrophobicContact CE1-CB 4.09Å; Y177-R193 HydrophobicContact CE1-CG 4.11Å; Y177-R193 HydrophobicContact CE2-CB 4.08Å; Y177-R193 HydrophobicContact CG-CB 3.94Å; D189-R193 PolarHBondContact O-N 3.25Å; Q190-R193 WeakPolarHBondContact O-CB 3.44Å; Q190-R193 PolarHBondContact O-N 3.33Å; E191-R193 PolarHBondContact O-N 2.81Å; R193-I195 VanDerWaalsContact C-N 3.34Å; R193-I195 PolarHBondContact O-N 3.08Å; R193-W196 PolarHBondContact O-N 3.39Å; R193-L197 HydrophobicContact CG-CD1 4.21Å; R193-L197 WeakPolarHBondContact O-CG 3.41Å; R193-L197 PolarHBondContact O-N 3.33Å; R193-L197 VanDerWaalsContact O-N 3.15Å; R193-V206 HydrophobicContact CB-CG1 4.35Å; R193-V206 HydrophobicContact CG-CG1 3.96Å
194	D	98.5	Very high	95.5	Very high	60 Å²	60	58.2 Å²	58.2	32%	0.321	36%	0.358	S	S	.	.	H	α-helix	trans	-67.5	-37.2	-176.1	-68.7	-18.8	0	0	0	111.1	Q190 E191 T192 W196 L197 H198	Q190-D194 VanDerWaalsContact O-CG 3.32Å; Q190-D194 PolarHBondContact O-N 2.89Å; E191-D194 PolarHBondContact O-N 3.23Å; T192-D194 PolarHBondContact O-N 3.2Å; D194-W196 VanDerWaalsContact C-N 3.34Å; D194-W196 PolarHBondContact O-N 2.95Å; D194-L197 PolarHBondContact O-N 2.58Å; D194-H198 PolarHBondContact O-N 3.5Å; D194-H198 PolarHBondContact O-ND1 3.07Å
195	I	98.6	Very high	96.3	Very high	18 Å²	18	57.2 Å²	57.2	9%	0.092	35%	0.346	C	S	.	.	H	α-helix	trans	-55.4	-48.4	172.6	-71.7	161.3	0	0	0	110.9	K151 E152 C155 E191 T192 R193 L197 H198 L199	K151-I195 HydrophobicContact CB-CD1 3.6Å; E152-I195 HydrophobicContact CB-CD1 4.03Å; E152-I195 HydrophobicContact CB-CG1 4.31Å; E152-I195 HydrophobicContact CG-CG1 4.41Å; C155-I195 HydrophobicContact CB-CG2 3.65Å; E191-I195 HydrophobicContact CG-CD1 4.02Å; E191-I195 WeakPolarHBondContact O-CD1 3.43Å; E191-I195 VanDerWaalsContact O-CG1 3.27Å; E191-I195 WeakPolarHBondContact O-CG1 3.41Å; E191-I195 PolarHBondContact O-N 3.23Å; T192-I195 PolarHBondContact O-N 3.29Å; R193-I195 VanDerWaalsContact C-N 3.34Å; R193-I195 PolarHBondContact O-N 3.08Å; I195-L197 VanDerWaalsContact C-N 3.35Å; I195-L197 PolarHBondContact O-N 3.01Å; I195-H198 PolarHBondContact O-N 3.36Å; I195-L199 HydrophobicContact CG2-CD1 4.12Å; I195-L199 WeakPolarHBondContact O-CG 3.33Å; I195-L199 PolarHBondContact O-N 2.97Å
196	W	98.4	Very high	96.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-39.9	179.2	-74.1	124.8	0	0	0	113.2	C155 W159 V175 T192 R193 D194 H198 L199 G200 V201 V206 T228 I230	C155-W196 HydrophobicContact CB-CE3 4.47Å; C155-W196 HydrophobicContact CB-CH2 3.82Å; C155-W196 HydrophobicContact CB-CZ2 3.87Å; C155-W196 HydrophobicContact CB-CZ3 4.14Å; W159-W196 HydrophobicContact CB-CZ3 4.13Å; W159-W196 HydrophobicContact CD2-CZ3 4.21Å; W159-W196 HydrophobicContact CE3-CE3 4.4Å; W159-W196 HydrophobicContact CE3-CH2 4.49Å; W159-W196 AromaticContact CE3-CZ3 3.71Å; W159-W196 HydrophobicContact CE3-CZ3 3.71Å; W159-W196 HydrophobicContact CG-CZ3 4.42Å; W159-W196 HydrophobicContact CZ3-CZ3 4.48Å; V175-W196 HydrophobicContact CB-CD2 4.02Å; V175-W196 HydrophobicContact CB-CG 4.22Å; V175-W196 HydrophobicContact CB-CZ2 4.4Å; V175-W196 HydrophobicContact CG1-CD2 4.01Å; V175-W196 HydrophobicContact CG1-CE3 4.03Å; V175-W196 HydrophobicContact CG1-CH2 4.19Å; V175-W196 HydrophobicContact CG1-CZ2 4.13Å; V175-W196 HydrophobicContact CG1-CZ3 4.13Å; V175-W196 HydrophobicContact CG2-CB 3.89Å; V175-W196 HydrophobicContact CG2-CD2 3.77Å; V175-W196 HydrophobicContact CG2-CE3 4.36Å; V175-W196 HydrophobicContact CG2-CG 3.53Å; T192-W196 PolarHBondContact O-N 2.95Å; R193-W196 PolarHBondContact O-N 3.39Å; D194-W196 VanDerWaalsContact C-N 3.34Å; D194-W196 PolarHBondContact O-N 2.95Å; W196-H198 VanDerWaalsContact C-N 3.35Å; W196-L199 HydrophobicContact CE3-CD1 3.83Å; W196-L199 HydrophobicContact CZ3-CD1 3.9Å; W196-L199 PolarHBondContact O-N 3Å; W196-G200 PolarHBondContact O-N 3.28Å; W196-V201 HydrophobicContact CB-CB 4.45Å; W196-V201 HydrophobicContact CB-CG2 4.39Å; W196-V201 HydrophobicContact CE3-CG2 3.91Å; W196-V201 WeakPolarHBondContact O-CB 3.46Å; W196-V201 WeakPolarHBondContact O-CG2 3.32Å; W196-V201 PolarHBondContact O-N 3.07Å; W196-V201 VanDerWaalsContact O-N 3.09Å; W196-V206 HydrophobicContact CB-CG1 4.29Å; W196-V206 HydrophobicContact CB-CG2 4.03Å; W196-T228 HydrophobicContact CZ2-CG2 4.08Å; W196-T228 PolarHBondContact NE1-OG1 3.21Å; W196-I230 HydrophobicContact CH2-CD1 3.88Å; W196-I230 HydrophobicContact CH2-CG1 4.27Å; W196-I230 HydrophobicContact CZ2-CD1 4.36Å; W196-I230 HydrophobicContact CZ2-CG1 4.33Å
197	L	98.3	Very high	97.2	Very high	57 Å²	57	54.5 Å²	54.5	30%	0.298	32%	0.315	S	S	.	.	H	α-helix	trans	-62.8	-42.1	175.1	-66	173.9	0	0	0	111.4	R193 D194 I195 L199 G200 A203 V206	R193-L197 HydrophobicContact CG-CD1 4.21Å; R193-L197 WeakPolarHBondContact O-CG 3.41Å; R193-L197 PolarHBondContact O-N 3.33Å; R193-L197 VanDerWaalsContact O-N 3.15Å; D194-L197 PolarHBondContact O-N 2.58Å; I195-L197 VanDerWaalsContact C-N 3.35Å; I195-L197 PolarHBondContact O-N 3.01Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.33Å; L197-G200 PolarHBondContact O-N 3.09Å; L197-A203 HydrophobicContact CD2-CB 3.92Å; L197-V206 HydrophobicContact CD2-CG2 4Å
198	H	97.9	Very high	97.4	Very high	165 Å²	165	53.1 Å²	53.1	76%	0.764	30%	0.304	S	S	*	.	H	α-helix	trans	-67.2	-31.3	176.8	-72.2	105.4	0	0	0	113.2	D194 I195 W196 G200	D194-H198 PolarHBondContact O-N 3.5Å; D194-H198 PolarHBondContact O-ND1 3.07Å; I195-H198 PolarHBondContact O-N 3.36Å; W196-H198 VanDerWaalsContact C-N 3.35Å; H198-G200 PolarHBondContact O-N 3.27Å
199	L	97.1	Very high	97.4	Very high	46 Å²	46	53.6 Å²	53.6	24%	0.241	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-5	172	-67.2	174.6	0	0	0	113	C155 R156 W159 I195 W196 L197	C155-L199 HydrophobicContact CB-CD1 3.88Å; R156-L199 HydrophobicContact CB-CD2 4.18Å; R156-L199 HydrophobicContact CG-CD2 4.28Å; W159-L199 HydrophobicContact CB-CD1 4.42Å; I195-L199 HydrophobicContact CG2-CD1 4.12Å; I195-L199 WeakPolarHBondContact O-CG 3.33Å; I195-L199 PolarHBondContact O-N 2.97Å; W196-L199 HydrophobicContact CE3-CD1 3.83Å; W196-L199 HydrophobicContact CZ3-CD1 3.9Å; W196-L199 PolarHBondContact O-N 3Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.33Å
200	G	96.1	Very high	97.3	Very high	57 Å²	57	54.4 Å²	54.4	59%	0.588	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	12.9	175.5	0	0	0	0	0	114.5	W196 L197 H198	W196-G200 PolarHBondContact O-N 3.28Å; L197-G200 PolarHBondContact O-N 3.09Å; H198-G200 PolarHBondContact O-N 3.27Å
201	V	97.4	Very high	97	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.024	30%	0.3	C	S	.	.			trans	-71.6	127.6	173.7	-172.5	0	0	0	0	109.2	W159 V175 W196 R205 V206	W159-V201 HydrophobicContact CE3-CG2 4.36Å; W159-V201 HydrophobicContact CH2-CG2 3.71Å; W159-V201 HydrophobicContact CZ2-CG2 3.87Å; W159-V201 HydrophobicContact CZ3-CG2 3.97Å; V175-V201 HydrophobicContact CG2-CG1 3.98Å; W196-V201 HydrophobicContact CB-CB 4.45Å; W196-V201 HydrophobicContact CB-CG2 4.39Å; W196-V201 HydrophobicContact CE3-CG2 3.91Å; W196-V201 WeakPolarHBondContact O-CB 3.46Å; W196-V201 WeakPolarHBondContact O-CG2 3.32Å; W196-V201 PolarHBondContact O-N 3.07Å; W196-V201 VanDerWaalsContact O-N 3.09Å; V201-R205 HydrophobicContact CG1-CB 4.12Å; V201-V206 HydrophobicContact CB-CG2 4Å; V201-V206 HydrophobicContact CG1-CG2 3.74Å
202	P	96.6	Very high	96.7	Very high	69 Å²	69	55.8 Å²	55.8	45%	0.448	32%	0.316	S	S	.	.			trans	-60.6	140.5	178.2	-23.6	33.4	0	0	0	112	S204 R205	P202-S204 PolarHBondContact O-N 3.43Å; P202-S204 VanDerWaalsContact O-N 3.07Å; P202-R205 HydrophobicContact CB-CG 4.45Å; P202-R205 WeakPolarHBondContact O-CA 3.46Å; P202-R205 WeakPolarHBondContact O-CB 3.46Å; P202-R205 PolarHBondContact O-N 3.28Å
203	A	96.8	Very high	96.3	Very high	75 Å²	75	57.8 Å²	57.8	62%	0.62	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-56.1	-30.3	-179.2	0	0	0	0	0	113.9	L197 R205 V206	L197-A203 HydrophobicContact CD2-CB 3.92Å; A203-R205 PolarHBondContact O-N 3.21Å; A203-R205 VanDerWaalsContact O-N 3.12Å; A203-V206 PolarHBondContact O-N 3.24Å
204	S	95.8	Very high	96.2	Very high	69 Å²	69	53.6 Å²	53.6	48%	0.483	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-67.6	-4.9	175	55.7	0	0	0	0	114.5	P202	P202-S204 PolarHBondContact O-N 3.43Å; P202-S204 VanDerWaalsContact O-N 3.07Å
205	R	97.2	Very high	96	Very high	36 Å²	36	51.3 Å²	51.3	14%	0.136	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-125	6.5	-178.2	-54.3	-172.5	173.6	-147.8	2.6	113.5	D171 L173 Y174 V175 V201 P202 A203	D171-R205 PolarHBondContact O-NH1 3.28Å; D171-R205 PolarHBondContact O-NH2 2.72Å; L173-R205 WeakPolarHBondContact O-CD 3.24Å; L173-R205 PolarHBondContact O-NH1 3.07Å; L173-R205 VanDerWaalsContact O-NH1 3.1Å; Y174-R205 HydrophobicContact CD1-CB 3.77Å; Y174-R205 HydrophobicContact CD1-CG 3.82Å; Y174-R205 HydrophobicContact CE1-CB 4.16Å; Y174-R205 HydrophobicContact CE1-CG 3.66Å; Y174-R205 HydrophobicContact CG-CB 4.43Å; V175-R205 PolarHBondContact N-O 3.07Å; V201-R205 HydrophobicContact CG1-CB 4.12Å; P202-R205 HydrophobicContact CB-CG 4.45Å; P202-R205 WeakPolarHBondContact O-CA 3.46Å; P202-R205 WeakPolarHBondContact O-CB 3.46Å; P202-R205 PolarHBondContact O-N 3.28Å; A203-R205 PolarHBondContact O-N 3.21Å; A203-R205 VanDerWaalsContact O-N 3.12Å
206	V	98.1	Very high	95.8	Very high	11 Å²	11	52.2 Å²	52.2	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	100.7	172.4	-175.9	0	0	0	0	107.4	V175 Y177 R193 W196 L197 V201 A203	V175-V206 HydrophobicContact CG2-CB 4.28Å; V175-V206 HydrophobicContact CG2-CG1 4.3Å; V175-V206 HydrophobicContact CG2-CG2 3.84Å; V175-V206 CarbonylContact O-C 3.55Å; V175-V206 WeakPolarHBondContact O-CA 3.5Å; Y177-V206 HydrophobicContact CD1-CG1 3.91Å; Y177-V206 HydrophobicContact CE1-CG1 4.21Å; R193-V206 HydrophobicContact CB-CG1 4.35Å; R193-V206 HydrophobicContact CG-CG1 3.96Å; W196-V206 HydrophobicContact CB-CG1 4.29Å; W196-V206 HydrophobicContact CB-CG2 4.03Å; L197-V206 HydrophobicContact CD2-CG2 4Å; V201-V206 HydrophobicContact CB-CG2 4Å; V201-V206 HydrophobicContact CG1-CG2 3.74Å; A203-V206 PolarHBondContact O-N 3.24Å
207	L	98	Very high	95.3	Very high	24 Å²	24	54.7 Å²	54.7	13%	0.126	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133	-162.4	-55.2	177.9	0	0	0	112.5	Y174 V175 S176 Y177 F209 A241 V244	Y174-L207 HydrophobicContact CD1-CD1 4.49Å; V175-L207 PolarHBondContact O-N 3.34Å; S176-L207 CarbonylContact C-O 3.54Å; S176-L207 WeakPolarHBondContact CA-O 3.21Å; Y177-L207 WeakPolarHBondContact CD1-O 3.44Å; Y177-L207 PolarHBondContact N-O 3.11Å; L207-F209 HydrophobicContact CB-CD2 4.43Å; L207-F209 HydrophobicContact CB-CE2 3.66Å; L207-F209 HydrophobicContact CB-CZ 4.23Å; L207-F209 HydrophobicContact CD1-CE2 4.42Å; L207-F209 HydrophobicContact CD1-CZ 4.42Å; L207-A241 HydrophobicContact CD1-CB 3.92Å; L207-A241 HydrophobicContact CD2-CB 3.85Å; L207-V244 HydrophobicContact CD1-CB 3.69Å; L207-V244 HydrophobicContact CD1-CG1 4.01Å; L207-V244 HydrophobicContact CD1-CG2 3.65Å
208	P	97.2	Very high	94.2	Very high	72 Å²	72	52.1 Å²	52.1	47%	0.468	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	134.7	175.3	29.2	-29.6	0	0	0	112.4	Y177	Y177-P208 HydrophobicContact CE1-CB 3.81Å; Y177-P208 HydrophobicContact CE1-CG 4.35Å; Y177-P208 HydrophobicContact CE2-CB 4.2Å; Y177-P208 WeakPolarHBondContact O-CA 3.38Å
209	F	96.6	Very high	93.1	Very high	45 Å²	45	44.9 Å²	44.9	20%	0.197	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.9	165.1	-56	-94.4	0	0	0	113.2	Y177 G179 L207 D213 N214 V244 N245	Y177-F209 PolarHBondContact O-N 3.46Å; G179-F209 PolarHBondContact N-O 3.03Å; L207-F209 HydrophobicContact CB-CD2 4.43Å; L207-F209 HydrophobicContact CB-CE2 3.66Å; L207-F209 HydrophobicContact CB-CZ 4.23Å; L207-F209 HydrophobicContact CD1-CE2 4.42Å; L207-F209 HydrophobicContact CD1-CZ 4.42Å; F209-D213 HydrophobicContact CB-CB 3.88Å; F209-D213 HydrophobicContact CG-CB 4.34Å; F209-N214 VanDerWaalsContact CB-OD1 3.26Å; F209-N214 WeakPolarHBondContact CB-OD1 3.11Å; F209-N214 WeakPolarHBondContact CD2-OD1 3.3Å; F209-V244 HydrophobicContact CE2-CG1 3.79Å; F209-V244 HydrophobicContact CZ-CB 4.12Å; F209-V244 HydrophobicContact CZ-CG1 3.73Å; F209-N245 HydrophobicContact CD1-CB 4.35Å; F209-N245 HydrophobicContact CE1-CB 3.94Å; F209-N245 HydrophobicContact CZ-CB 4.13Å
210	G	94.3	Very high	92	Very high	31 Å²	31	48.3 Å²	48.3	32%	0.32	29%	0.287	S	S	.	.			trans	-85	-163.4	-176.2	0	0	0	0	0	114.2	K212 D213 N214	G210-K212 PolarHBondContact O-N 2.75Å; G210-K212 VanDerWaalsContact O-N 3.16Å; G210-D213 PolarHBondContact O-N 3.23Å; G210-N214 PolarHBondContact O-N 3.46Å
211	L	90.3	Very high	91.3	Very high	55 Å²	55	48.5 Å²	48.5	29%	0.288	28%	0.277	S	S	.	.	H	α-helix	trans	-53	-37	-176.5	-78.9	171.2	0	0	0	114.5	F178 D181 L186 D213 F215	F178-L211 HydrophobicContact CE2-CD2 4.07Å; F178-L211 HydrophobicContact CE2-CG 4.35Å; F178-L211 HydrophobicContact CZ-CD2 4.1Å; D181-L211 HydrophobicContact CB-CD1 3.78Å; D181-L211 HydrophobicContact CB-CD2 4.33Å; D181-L211 HydrophobicContact CB-CG 3.71Å; D181-L211 VanDerWaalsContact CG-CD1 3.43Å; D181-L211 WeakPolarHBondContact OD2-CD1 3.41Å; L186-L211 HydrophobicContact CD1-CD2 4.04Å; L211-D213 VanDerWaalsContact C-N 3.29Å; L211-D213 PolarHBondContact O-N 2.93Å; L211-F215 HydrophobicContact CB-CB 4.47Å; L211-F215 HydrophobicContact CD2-CB 3.58Å; L211-F215 HydrophobicContact CD2-CD1 3.98Å; L211-F215 HydrophobicContact CD2-CD2 3.96Å; L211-F215 HydrophobicContact CD2-CG 3.57Å; L211-F215 WeakPolarHBondContact O-CB 3.28Å; L211-F215 PolarHBondContact O-N 3.43Å
212	K	90.4	Very high	90.8	Very high	189 Å²	189	48.8 Å²	48.8	82%	0.822	28%	0.28	S	S	*	.	H	α-helix	trans	-61.9	-38.7	-174.9	-174.2	-171.7	171.4	-163.2	0	112.4	G210	G210-K212 PolarHBondContact O-N 2.75Å; G210-K212 VanDerWaalsContact O-N 3.16Å
213	D	91.3	Very high	90.6	Very high	42 Å²	42	45.5 Å²	45.5	23%	0.225	26%	0.259	C	S	.	.	H	α-helix	trans	-110.8	-39.5	-168.8	-47	-55.6	0	0	0	111.6	F209 G210 L211	F209-D213 HydrophobicContact CB-CB 3.88Å; F209-D213 HydrophobicContact CG-CB 4.34Å; G210-D213 PolarHBondContact O-N 3.23Å; L211-D213 VanDerWaalsContact C-N 3.29Å; L211-D213 PolarHBondContact O-N 2.93Å
214	N	95.9	Very high	90.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-112.9	21.8	-175.6	-76.5	130	0	0	0	115.1	S176 Y177 F178 F209 G210 P226 C227	S176-N214 WeakPolarHBondContact CB-OD1 3.49Å; S176-N214 PolarHBondContact OG-ND2 2.91Å; S176-N214 PolarHBondContact OG-OD1 3.37Å; Y177-N214 PolarHBondContact O-OD1 3.07Å; F178-N214 HydrophobicContact CB-CB 3.97Å; F178-N214 WeakPolarHBondContact CB-O 3.4Å; F178-N214 HydrophobicContact CD2-CB 4.11Å; F178-N214 WeakPolarHBondContact CD2-O 3.32Å; F209-N214 VanDerWaalsContact CB-OD1 3.26Å; F209-N214 WeakPolarHBondContact CB-OD1 3.11Å; F209-N214 WeakPolarHBondContact CD2-OD1 3.3Å; G210-N214 PolarHBondContact O-N 3.46Å; N214-P226 WeakPolarHBondContact O-CA 3.42Å; N214-C227 VanDerWaalsContact C-SG 3.55Å; N214-C227 VanDerWaalsContact CA-SG 3.57Å; N214-C227 PolarHBondContact ND2-O 2.87Å; N214-C227 PolarHBondContact O-N 3.18Å
215	F	94.4	Very high	90.4	Very high	13 Å²	13	38.7 Å²	38.7	6%	0.057	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	112.2	168.2	-165.3	-82.2	0	0	0	109.9	F178 L186 L211 C224 Y262 L270	F178-F215 HydrophobicContact CD2-CB 4.18Å; F178-F215 HydrophobicContact CE1-CD2 4.32Å; F178-F215 HydrophobicContact CE2-CB 3.93Å; F178-F215 HydrophobicContact CE2-CD2 4.18Å; F178-F215 HydrophobicContact CZ-CD2 4.04Å; L186-F215 HydrophobicContact CD1-CD2 4.02Å; L186-F215 HydrophobicContact CD1-CE2 3.6Å; L186-F215 HydrophobicContact CD1-CZ 4.15Å; L211-F215 HydrophobicContact CB-CB 4.47Å; L211-F215 HydrophobicContact CD2-CB 3.58Å; L211-F215 HydrophobicContact CD2-CD1 3.98Å; L211-F215 HydrophobicContact CD2-CD2 3.96Å; L211-F215 HydrophobicContact CD2-CG 3.57Å; L211-F215 WeakPolarHBondContact O-CB 3.28Å; L211-F215 PolarHBondContact O-N 3.43Å; F215-C224 HydrophobicContact CE1-CB 4.17Å; F215-Y262 HydrophobicContact CE2-CD2 4.33Å; F215-Y262 HydrophobicContact CE2-CE2 4.43Å; F215-Y262 HydrophobicContact CZ-CD2 4.19Å; F215-L270 HydrophobicContact CZ-CD1 3.95Å; F215-L270 HydrophobicContact CZ-CD2 4.41Å
216	W	92.7	Very high	90.4	Very high	36 Å²	36	37.1 Å²	37.1	14%	0.136	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131	-172.2	-167.4	93.2	0	0	0	111.7	A84 M86 M218 C224 G225 C227 V258	A84-W216 HydrophobicContact CB-CH2 4.04Å; A84-W216 HydrophobicContact CB-CZ2 3.8Å; M86-W216 HydrophobicContact CG-CH2 3.56Å; M86-W216 HydrophobicContact CG-CZ3 3.89Å; M86-W216 HydrophobicContact SD-CH2 3.93Å; M86-W216 HydrophobicContact SD-CZ3 4.15Å; W216-M218 HydrophobicContact CH2-CB 3.49Å; W216-M218 VanDerWaalsContact CH2-CB 3.49Å; W216-M218 HydrophobicContact CH2-CG 4.16Å; W216-M218 HydrophobicContact CZ2-CB 4.29Å; W216-M218 HydrophobicContact CZ3-CB 3.72Å; W216-C224 VanDerWaalsContact O-CA 3.31Å; W216-C224 WeakPolarHBondContact O-CA 3.26Å; W216-C224 WeakPolarHBondContact O-CB 3.19Å; W216-G225 PolarHBondContact N-O 3.16Å; W216-G225 PolarHBondContact O-N 3.43Å; W216-C227 HydrophobicContact CB-CB 4.37Å; W216-V258 HydrophobicContact CB-CB 4.34Å; W216-V258 HydrophobicContact CB-CG1 3.77Å; W216-V258 HydrophobicContact CB-CG2 3.59Å; W216-V258 HydrophobicContact CD2-CG1 4.47Å; W216-V258 HydrophobicContact CD2-CG2 4.05Å; W216-V258 HydrophobicContact CE3-CG1 4.18Å; W216-V258 HydrophobicContact CE3-CG2 4.45Å; W216-V258 HydrophobicContact CG-CG1 4.35Å; W216-V258 HydrophobicContact CG-CG2 3.66Å
217	E	89	Confident	90.4	Very high	52 Å²	52	36.7 Å²	36.7	24%	0.243	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	132.8	174.3	48.7	173.5	-149	0	0	109.7	K121 C224 R264	K121-E217 IonicContact NZ-OE1 3.58Å; K121-E217 PolarHBondContact NZ-OE1 2.91Å; E217-C224 HydrophobicContact CB-CB 3.68Å; E217-R264 IonicContact OE2-CZ 3.13Å; E217-R264 IonicContact OE2-NE 2.72Å; E217-R264 PolarHBondContact OE2-NE 3.28Å; E217-R264 VanDerWaalsContact OE2-NE 3.14Å; E217-R264 IonicContact OE2-NH2 2.79Å; E217-R264 PolarHBondContact OE2-NH2 3.26Å
218	M	74.6	Confident	90.4	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.02	19%	0.193	C	C	.	.	S	Bend	trans	-73.6	-27.9	-171.6	174.1	-82.8	-30.8	0	0	114.1	L79 M86 N87 K90 W216 T221	L79-M218 HydrophobicContact CD1-SD 3.75Å; L79-M218 HydrophobicContact CD2-SD 3.66Å; L79-M218 HydrophobicContact CG-SD 3.92Å; M86-M218 HydrophobicContact SD-CB 4.35Å; M86-M218 HydrophobicContact SD-CG 4.19Å; N87-M218 VanDerWaalsContact ND2-CG 3.28Å; N87-M218 WeakPolarHBondContact ND2-CG 3.42Å; K90-M218 PolarHBondContact NZ-SD 3.3Å; K90-M218 VanDerWaalsContact NZ-SD 3.4Å; W216-M218 HydrophobicContact CH2-CB 3.49Å; W216-M218 VanDerWaalsContact CH2-CB 3.49Å; W216-M218 HydrophobicContact CH2-CG 4.16Å; W216-M218 HydrophobicContact CZ2-CB 4.29Å; W216-M218 HydrophobicContact CZ3-CB 3.72Å; M218-T221 VanDerWaalsContact CE-O 3.29Å; M218-T221 WeakPolarHBondContact CE-O 3.35Å
219	G	75.1	Confident	90.4	Very high	13 Å²	13	32.8 Å²	32.8	13%	0.134	17%	0.174	C	C	.	.	S	Bend	trans	-168.8	-167	-173.9	0	0	0	0	0	110.7	T221	G219-T221 PolarHBondContact O-N 3.12Å
220	D	73.4	Confident	90.5	Very high	118 Å²	118	30.6 Å²	30.6	63%	0.631	16%	0.164	S	C	*	.	S	Bend	trans	-68.7	-22.3	-176.5	-59.6	-23.4	0	0	0	113	R264	D220-R264 VanDerWaalsContact O-CG 3.25Å; D220-R264 WeakPolarHBondContact O-CG 3.44Å
221	T	81.6	Confident	90.7	Very high	60 Å²	60	29.3 Å²	29.3	37%	0.368	15%	0.15	S	C	.	.	S	Bend	trans	-139.6	158.9	175.2	60.6	0	0	0	0	111.2	M218 G219 R264 A266	M218-T221 VanDerWaalsContact CE-O 3.29Å; M218-T221 WeakPolarHBondContact CE-O 3.35Å; G219-T221 PolarHBondContact O-N 3.12Å; T221-R264 VanDerWaalsContact CA-O 3.3Å; T221-R264 WeakPolarHBondContact CA-O 3.46Å; T221-R264 WeakPolarHBondContact CB-O 3.27Å; T221-A266 HydrophobicContact CG2-CB 4.22Å
222	G	88	Confident	91	Very high	10 Å²	10	26.9 Å²	26.9	10%	0.103	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.7	-171.8	174.4	0	0	0	0	0	115	N263 R264	G222-N263 VanDerWaalsContact CA-OD1 3.25Å; G222-N263 WeakPolarHBondContact CA-OD1 3.39Å; G222-N263 PolarHBondContact O-OD1 3.47Å; G222-R264 PolarHBondContact N-O 2.91Å; G222-R264 PolarHBondContact O-N 2.98Å
223	P	91.6	Very high	91.2	Very high	1 Å²	1	18 Å²	18	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	135.5	-175.8	-22.1	33.6	0	0	0	112.6	M86 L93 L94 I260 Y262 L273	M86-P223 HydrophobicContact CE-CB 4.34Å; M86-P223 HydrophobicContact CE-CG 4.41Å; L93-P223 HydrophobicContact CB-CB 4.36Å; L93-P223 HydrophobicContact CB-CG 3.98Å; L93-P223 HydrophobicContact CD1-CB 4.2Å; L93-P223 HydrophobicContact CD1-CG 4.24Å; L94-P223 HydrophobicContact CD2-CG 3.65Å; L94-P223 HydrophobicContact CG-CG 3.98Å; P223-I260 HydrophobicContact CB-CG2 3.83Å; P223-Y262 CarbonylContact C-O 3.47Å; P223-Y262 WeakPolarHBondContact CA-O 3.06Å; P223-L273 HydrophobicContact CB-CD1 4.42Å
224	C	93.9	Very high	91.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	170.7	-177.8	61.2	0	0	0	0	112.2	F215 W216 E217 Q261 Y262 L270	F215-C224 HydrophobicContact CE1-CB 4.17Å; W216-C224 VanDerWaalsContact O-CA 3.31Å; W216-C224 WeakPolarHBondContact O-CA 3.26Å; W216-C224 WeakPolarHBondContact O-CB 3.19Å; E217-C224 HydrophobicContact CB-CB 3.68Å; C224-Q261 PolarHBondContact O-N 2.86Å; C224-Y262 PolarHBondContact N-O 2.93Å; C224-Y262 PolarHBondContact O-N 3.35Å; C224-Y262 VanDerWaalsContact O-O 3.09Å; C224-L270 VanDerWaalsContact SG-CD2 3.52Å
225	G	95.4	Very high	91.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.7	172.4	176.5	0	0	0	0	0	114.7	W216 F259	W216-G225 PolarHBondContact N-O 3.16Å; W216-G225 PolarHBondContact O-N 3.43Å; G225-F259 WeakPolarHBondContact CA-O 3.47Å
226	P	97	Very high	90.9	Very high	4 Å²	4	20 Å²	20	3%	0.026	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	153.7	171.7	29.5	-34.4	0	0	0	110.2	F178 N214 F259	F178-P226 HydrophobicContact CB-CB 3.76Å; F178-P226 HydrophobicContact CD1-CB 3.99Å; F178-P226 HydrophobicContact CG-CB 4Å; N214-P226 WeakPolarHBondContact O-CA 3.42Å; P226-F259 HydrophobicContact CG-CB 4.39Å; P226-F259 WeakPolarHBondContact O-CB 3.37Å; P226-F259 PolarHBondContact O-N 3.33Å
227	C	97.5	Very high	90.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	164.4	177.8	73.8	0	0	0	0	112.3	N214 W216 N256 L257 V258	N214-C227 VanDerWaalsContact C-SG 3.55Å; N214-C227 VanDerWaalsContact CA-SG 3.57Å; N214-C227 PolarHBondContact ND2-O 2.87Å; N214-C227 PolarHBondContact O-N 3.18Å; W216-C227 HydrophobicContact CB-CB 4.37Å; C227-N256 VanDerWaalsContact CB-OD1 3.23Å; C227-N256 WeakPolarHBondContact CB-OD1 3.48Å; C227-N256 PolarHBondContact SG-OD1 3.46Å; C227-L257 CarbonylContact C-O 3.29Å; C227-L257 WeakPolarHBondContact CA-O 3.43Å; C227-L257 VanDerWaalsContact CB-O 3.24Å; C227-L257 WeakPolarHBondContact CB-O 3.15Å; C227-V258 HydrophobicContact CB-CB 4.15Å; C227-V258 HydrophobicContact CB-CG1 4.39Å; C227-V258 HydrophobicContact CB-CG2 3.82Å
228	T	98.4	Very high	91	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.5	170.4	175.9	0	0	0	0	108.8	S176 T192 W196 N256 L257 F259	S176-T228 WeakPolarHBondContact O-CA 3.35Å; S176-T228 WeakPolarHBondContact O-CB 3.39Å; S176-T228 PolarHBondContact O-OG1 3.27Å; T192-T228 HydrophobicContact CG2-CG2 3.99Å; W196-T228 HydrophobicContact CZ2-CG2 4.08Å; W196-T228 PolarHBondContact NE1-OG1 3.21Å; T228-N256 PolarHBondContact O-OD1 3.34Å; T228-L257 HydrophobicContact CG2-CB 3.72Å; T228-L257 HydrophobicContact CG2-CD2 4.35Å; T228-L257 HydrophobicContact CG2-CG 4.5Å; T228-L257 PolarHBondContact N-O 3.17Å; T228-L257 PolarHBondContact O-N 3.35Å; T228-F259 HydrophobicContact CG2-CE2 3.74Å; T228-F259 HydrophobicContact CG2-CZ 3.61Å
229	E	98	Very high	91.9	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.065	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	148.3	178.4	-54	170.5	141.1	0	0	109.4	V175 S176 H231 N245 E253 W255 N256	V175-E229 CarbonylContact C-O 3.51Å; V175-E229 VanDerWaalsContact CA-O 3.28Å; V175-E229 WeakPolarHBondContact CA-O 3.35Å; S176-E229 PolarHBondContact N-O 3.3Å; S176-E229 VanDerWaalsContact OG-CB 3.29Å; S176-E229 WeakPolarHBondContact OG-CB 3.27Å; S176-E229 PolarHBondContact OG-N 2.94Å; S176-E229 PolarHBondContact OG-O 3.02Å; E229-H231 VanDerWaalsContact CB-CE1 3.47Å; E229-H231 WeakPolarHBondContact CB-CE1 3.38Å; E229-H231 IonicContact OE2-CE1 3.09Å; E229-H231 PolarHBondContact OE2-CE1 2.89Å; E229-H231 VanDerWaalsContact OE2-CE1 3.3Å; E229-H231 IonicContact OE2-NE2 3.7Å; E229-N245 PolarHBondContact OE2-ND2 2.84Å; E229-N245 PolarHBondContact OE2-OD1 3.09Å; E229-E253 HydrophobicContact CB-CG 4.19Å; E229-W255 CarbonylContact C-O 3.49Å; E229-W255 WeakPolarHBondContact CA-O 3.02Å; E229-N256 HydrophobicContact CG-CB 4.38Å
230	I	98.4	Very high	92.8	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.8	174.9	-51.2	177.6	0	0	0	107.8	A158 L162 L173 Y174 V175 W196 I254 W255 L257	A158-I230 HydrophobicContact CB-CD1 3.94Å; L162-I230 HydrophobicContact CD1-CB 4.46Å; L162-I230 HydrophobicContact CD1-CD1 3.84Å; L162-I230 HydrophobicContact CD1-CG2 3.8Å; L173-I230 HydrophobicContact CD2-CG2 4.09Å; Y174-I230 WeakPolarHBondContact O-CA 3.35Å; V175-I230 HydrophobicContact CG1-CG1 4.24Å; V175-I230 HydrophobicContact CG1-CG2 4.4Å; W196-I230 HydrophobicContact CH2-CD1 3.88Å; W196-I230 HydrophobicContact CH2-CG1 4.27Å; W196-I230 HydrophobicContact CZ2-CD1 4.36Å; W196-I230 HydrophobicContact CZ2-CG1 4.33Å; I230-I254 HydrophobicContact CB-CG1 4.46Å; I230-I254 HydrophobicContact CG2-CD1 4.39Å; I230-I254 HydrophobicContact CG2-CG1 4.34Å; I230-I254 VanDerWaalsContact O-CG1 3.26Å; I230-I254 WeakPolarHBondContact O-CG1 3.38Å; I230-I254 PolarHBondContact O-N 2.92Å; I230-W255 HydrophobicContact CB-CB 4.34Å; I230-W255 HydrophobicContact CD1-CB 4.4Å; I230-W255 HydrophobicContact CD1-CE3 4.48Å; I230-W255 PolarHBondContact N-O 3.19Å; I230-W255 PolarHBondContact O-N 2.71Å; I230-L257 HydrophobicContact CD1-CD1 4.13Å; I230-L257 HydrophobicContact CG1-CD1 4.45Å
231	H	97.6	Very high	93.8	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.1	-179.6	-55.8	80.6	0	0	0	111.5	L173 Y174 E229 V244 N245 V251 V252	L173-H231 WeakPolarHBondContact CA-O 3.43Å; Y174-H231 PolarHBondContact N-O 3.24Å; Y174-H231 PolarHBondContact O-N 3.12Å; E229-H231 VanDerWaalsContact CB-CE1 3.47Å; E229-H231 WeakPolarHBondContact CB-CE1 3.38Å; E229-H231 IonicContact OE2-CE1 3.09Å; E229-H231 PolarHBondContact OE2-CE1 2.89Å; E229-H231 VanDerWaalsContact OE2-CE1 3.3Å; E229-H231 IonicContact OE2-NE2 3.7Å; H231-V244 HydrophobicContact CB-CG2 4.47Å; H231-V244 VanDerWaalsContact CE1-CG1 3.44Å; H231-V244 WeakPolarHBondContact CE1-CG1 3.18Å; H231-V244 WeakPolarHBondContact ND1-CG1 3.28Å; H231-N245 PolarHBondContact NE2-OD1 2.81Å; H231-V251 HydrophobicContact CB-CG1 3.83Å; H231-V252 CarbonylContact C-O 3.54Å; H231-V252 VanDerWaalsContact CA-O 3.26Å; H231-V252 WeakPolarHBondContact CA-O 3.17Å
232	Y	96.4	Very high	94.4	Very high	5 Å²	5	25 Å²	25	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.2	178.8	176.2	-98	0	0	0	111.2	F41 I168 R172 L173 H234 V251 V252 V290	F41-Y232 WeakPolarHBondContact CZ-OH 3.3Å; I168-Y232 HydrophobicContact CG2-CD2 3.79Å; I168-Y232 HydrophobicContact CG2-CE2 3.77Å; R172-Y232 HydrophobicContact CB-CD2 3.84Å; R172-Y232 HydrophobicContact CB-CE2 3.52Å; R172-Y232 WeakPolarHBondContact CD-OH 3.33Å; R172-Y232 HydrophobicContact CG-CE2 4.21Å; R172-Y232 PolarHBondContact NH1-OH 3.09Å; L173-Y232 HydrophobicContact CD2-CD2 4.07Å; Y232-H234 HydrophobicContact CE1-CB 4.47Å; Y232-H234 AromaticContact CE1-CG 3.98Å; Y232-H234 AromaticContact CE1-ND1 3.75Å; Y232-V251 WeakPolarHBondContact O-CA 3.27Å; Y232-V252 PolarHBondContact N-O 2.99Å; Y232-V252 PolarHBondContact O-N 3.06Å; Y232-V290 HydrophobicContact CD1-CB 4.26Å; Y232-V290 HydrophobicContact CD1-CG1 3.76Å; Y232-V290 HydrophobicContact CD1-CG2 3.51Å; Y232-V290 HydrophobicContact CD2-CG1 4.01Å; Y232-V290 HydrophobicContact CE1-CB 4.36Å; Y232-V290 HydrophobicContact CE1-CG1 3.68Å; Y232-V290 HydrophobicContact CE1-CG2 4Å; Y232-V290 HydrophobicContact CE2-CG1 3.95Å; Y232-V290 HydrophobicContact CG-CG1 3.91Å; Y232-V290 HydrophobicContact CG-CG2 4.01Å
233	D	95.9	Very high	94.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	113.4	172.7	-179.9	18.1	0	0	0	111	R172 Y174 V235 G236 R238 A240 V251	R172-D233 PolarHBondContact O-N 3.27Å; Y174-D233 HydrophobicContact CE2-CB 4.08Å; D233-V235 PolarHBondContact O-N 2.79Å; D233-V235 WeakPolarHBondContact OD1-CB 3.32Å; D233-V235 PolarHBondContact OD1-N 3.15Å; D233-G236 WeakPolarHBondContact OD2-CA 3.32Å; D233-G236 PolarHBondContact OD2-N 2.61Å; D233-R238 IonicContact OD1-CZ 3.14Å; D233-R238 IonicContact OD1-NE 3.45Å; D233-R238 IonicContact OD1-NH2 3.76Å; D233-R238 PolarHBondContact OD1-NH2 2.93Å; D233-R238 IonicContact OD2-NE 2.73Å; D233-R238 PolarHBondContact OD2-NE 2.89Å; D233-A240 HydrophobicContact CB-CB 4.23Å; D233-V251 HydrophobicContact CB-CG2 4.23Å
234	H	91.5	Very high	94.8	Very high	30 Å²	30	27.8 Å²	27.8	14%	0.139	18%	0.181	C	C	.	.	S	Bend	trans	-66.6	-24.2	177.7	-77.4	-82.9	0	0	0	113.3	Y232 E250 V252 K294	Y232-H234 HydrophobicContact CE1-CB 4.47Å; Y232-H234 AromaticContact CE1-CG 3.98Å; Y232-H234 AromaticContact CE1-ND1 3.75Å; H234-E250 PolarHBondContact N-O 3.08Å; H234-V252 VanDerWaalsContact NE2-CG2 3.34Å; H234-V252 WeakPolarHBondContact NE2-CG2 3.33Å; H234-K294 PolarHBondContact CE1-O 3.31Å; H234-K294 VanDerWaalsContact CE1-O 3.29Å
235	V	92.8	Very high	94.6	Very high	59 Å²	59	30.1 Å²	30.1	36%	0.358	19%	0.193	S	C	.	.	S	Bend	trans	-84.2	-51.7	-178.5	-179	0	0	0	0	110.3	D233 R238 E250	D233-V235 PolarHBondContact O-N 2.79Å; D233-V235 WeakPolarHBondContact OD1-CB 3.32Å; D233-V235 PolarHBondContact OD1-N 3.15Å; V235-R238 VanDerWaalsContact CG2-NH2 3.27Å; V235-E250 HydrophobicContact CG2-CB 4.46Å
236	G	90.3	Very high	94.3	Very high	10 Å²	10	33.3 Å²	33.3	10%	0.103	22%	0.219	C	C	.	.			trans	69.6	175.4	-178.2	0	0	0	0	0	113.3	D233 R238	D233-G236 WeakPolarHBondContact OD2-CA 3.32Å; D233-G236 PolarHBondContact OD2-N 2.61Å; G236-R238 PolarHBondContact O-N 3.32Å; G236-R238 VanDerWaalsContact O-N 3.14Å
237	G	90.1	Very high	93.3	Very high	82 Å²	82	37.1 Å²	37.1	85%	0.845	26%	0.259	S	S	*	.	S	Bend	trans	66.8	12.5	178.1	0	0	0	0	0	115.2
238	R	93.2	Very high	92.4	Very high	82 Å²	82	38.9 Å²	38.9	31%	0.309	28%	0.278	S	S	.	.	S	Bend	trans	-141	167.9	-179.2	66.5	-177.9	-179.1	172.9	2.6	111	Y174 D233 V235 G236 E250	Y174-R238 PolarHBondContact OH-O 3.2Å; Y174-R238 VanDerWaalsContact OH-O 3.09Å; D233-R238 IonicContact OD1-CZ 3.14Å; D233-R238 IonicContact OD1-NE 3.45Å; D233-R238 IonicContact OD1-NH2 3.76Å; D233-R238 PolarHBondContact OD1-NH2 2.93Å; D233-R238 IonicContact OD2-NE 2.73Å; D233-R238 PolarHBondContact OD2-NE 2.89Å; V235-R238 VanDerWaalsContact CG2-NH2 3.27Å; G236-R238 PolarHBondContact O-N 3.32Å; G236-R238 VanDerWaalsContact O-N 3.14Å; R238-E250 IonicContact CZ-OE2 3.89Å; R238-E250 IonicContact NH1-OE2 2.88Å; R238-E250 PolarHBondContact NH1-OE2 3.12Å; R238-E250 IonicContact NH2-OE2 2.56Å; R238-E250 PolarHBondContact NH2-OE2 2.91Å
239	N	92.8	Very high	91.5	Very high	107 Å²	107	42.2 Å²	42.2	57%	0.572	31%	0.306	S	S	*	.			trans	-89	114.1	165.4	-172.8	-12.1	0	0	0	109.4	Y174 A241	Y174-N239 WeakPolarHBondContact OH-CA 3.02Å; N239-A241 WeakPolarHBondContact OD1-CB 3.46Å; N239-A241 PolarHBondContact OD1-N 2.8Å
240	A	95	Very high	91	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	32%	0.32	C	S	.	.			trans	-107.4	14.4	-178.1	0	0	0	0	0	112.7	Y174 D233 A242 L243 V244 V251	Y174-A240 HydrophobicContact CE2-CB 4Å; Y174-A240 PolarHBondContact OH-N 2.94Å; D233-A240 HydrophobicContact CB-CB 4.23Å; A240-A242 PolarHBondContact O-N 3.38Å; A240-A242 VanDerWaalsContact O-N 3.16Å; A240-L243 HydrophobicContact CB-CD1 4.39Å; A240-L243 WeakPolarHBondContact O-CB 3.26Å; A240-L243 PolarHBondContact O-N 2.81Å; A240-V244 PolarHBondContact O-N 2.84Å; A240-V251 HydrophobicContact CB-CG2 3.83Å
241	A	94.5	Very high	90.7	Very high	21 Å²	21	46 Å²	46	17%	0.174	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-53.9	-38.1	-176.9	0	0	0	0	0	113.4	Y174 L207 N239 L243 V244	Y174-A241 HydrophobicContact CD1-CB 4.45Å; Y174-A241 HydrophobicContact CE1-CB 4.23Å; L207-A241 HydrophobicContact CD1-CB 3.92Å; L207-A241 HydrophobicContact CD2-CB 3.85Å; N239-A241 WeakPolarHBondContact OD1-CB 3.46Å; N239-A241 PolarHBondContact OD1-N 2.8Å; A241-L243 PolarHBondContact O-N 3.39Å; A241-V244 PolarHBondContact O-N 3.29Å
242	A	94.1	Very high	90.5	Very high	95 Å²	95	46.4 Å²	46.4	79%	0.785	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-69.6	-13.1	178.1	0	0	0	0	0	114.3	A240	A240-A242 PolarHBondContact O-N 3.38Å; A240-A242 VanDerWaalsContact O-N 3.16Å
243	L	93.8	Very high	90.4	Very high	63 Å²	63	48.6 Å²	48.6	33%	0.33	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-97.7	-12.7	179.3	-58.1	178.1	0	0	0	112.5	A240 A241 N245 A246 V251	A240-L243 HydrophobicContact CB-CD1 4.39Å; A240-L243 WeakPolarHBondContact O-CB 3.26Å; A240-L243 PolarHBondContact O-N 2.81Å; A241-L243 PolarHBondContact O-N 3.39Å; L243-N245 PolarHBondContact O-N 3.49Å; L243-A246 WeakPolarHBondContact O-CB 3.32Å; L243-A246 PolarHBondContact O-N 2.84Å; L243-A246 VanDerWaalsContact O-N 3.17Å; L243-V251 HydrophobicContact CB-CB 4.28Å; L243-V251 HydrophobicContact CB-CG2 3.76Å; L243-V251 HydrophobicContact CD1-CG2 4.29Å
244	V	93.9	Very high	90.4	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.03	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	129.2	174.7	176.9	0	0	0	0	108.9	Y174 L207 F209 H231 A240 A241 A246 V251	Y174-V244 HydrophobicContact CD1-CG2 4.26Å; Y174-V244 HydrophobicContact CG-CG2 4Å; L207-V244 HydrophobicContact CD1-CB 3.69Å; L207-V244 HydrophobicContact CD1-CG1 4.01Å; L207-V244 HydrophobicContact CD1-CG2 3.65Å; F209-V244 HydrophobicContact CE2-CG1 3.79Å; F209-V244 HydrophobicContact CZ-CB 4.12Å; F209-V244 HydrophobicContact CZ-CG1 3.73Å; H231-V244 HydrophobicContact CB-CG2 4.47Å; H231-V244 VanDerWaalsContact CE1-CG1 3.44Å; H231-V244 WeakPolarHBondContact CE1-CG1 3.18Å; H231-V244 WeakPolarHBondContact ND1-CG1 3.28Å; A240-V244 PolarHBondContact O-N 2.84Å; A241-V244 PolarHBondContact O-N 3.29Å; V244-A246 PolarHBondContact O-N 3.13Å; V244-A246 VanDerWaalsContact O-N 3.11Å; V244-V251 HydrophobicContact CG2-CG1 4.03Å
245	N	90.4	Very high	90.7	Very high	50 Å²	50	47.2 Å²	47.2	27%	0.267	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	17.3	-174.3	-66.1	-20.1	0	0	0	115.6	F209 E229 H231 L243	F209-N245 HydrophobicContact CD1-CB 4.35Å; F209-N245 HydrophobicContact CE1-CB 3.94Å; F209-N245 HydrophobicContact CZ-CB 4.13Å; E229-N245 PolarHBondContact OE2-ND2 2.84Å; E229-N245 PolarHBondContact OE2-OD1 3.09Å; H231-N245 PolarHBondContact NE2-OD1 2.81Å; L243-N245 PolarHBondContact O-N 3.49Å
246	A	88.1	Confident	90.9	Very high	66 Å²	66	45.2 Å²	45.2	55%	0.545	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.8	174.4	0	0	0	0	0	113.8	L243 V244 G248	L243-A246 WeakPolarHBondContact O-CB 3.32Å; L243-A246 PolarHBondContact O-N 2.84Å; L243-A246 VanDerWaalsContact O-N 3.17Å; V244-A246 PolarHBondContact O-N 3.13Å; V244-A246 VanDerWaalsContact O-N 3.11Å; A246-G248 PolarHBondContact O-N 3.3Å
247	G	77.1	Confident	91.3	Very high	84 Å²	84	44.7 Å²	44.7	87%	0.866	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	10.9	177.1	0	0	0	0	0	115.7
248	G	77.3	Confident	91.7	Very high	39 Å²	39	41 Å²	41	40%	0.402	27%	0.274	S	S	.	.			trans	-84.5	145.6	179.4	0	0	0	0	0	113.5	A246 E250 V251	A246-G248 PolarHBondContact O-N 3.3Å; G248-E250 PolarHBondContact O-N 2.87Å; G248-E250 VanDerWaalsContact O-N 3.15Å; G248-V251 PolarHBondContact O-N 3.29Å
249	A	79.6	Confident	91.9	Very high	70 Å²	70	37.1 Å²	37.1	58%	0.579	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-8.3	178.5	0	0	0	0	0	114.7
250	E	87.9	Confident	92	Very high	81 Å²	81	32 Å²	32	38%	0.379	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-29.4	179.7	-59.2	-169.5	167.1	0	0	112.9	H234 V235 R238 G248	H234-E250 PolarHBondContact N-O 3.08Å; V235-E250 HydrophobicContact CG2-CB 4.46Å; R238-E250 IonicContact CZ-OE2 3.89Å; R238-E250 IonicContact NH1-OE2 2.88Å; R238-E250 PolarHBondContact NH1-OE2 3.12Å; R238-E250 IonicContact NH2-OE2 2.56Å; R238-E250 PolarHBondContact NH2-OE2 2.91Å; G248-E250 PolarHBondContact O-N 2.87Å; G248-E250 VanDerWaalsContact O-N 3.15Å
251	V	92.9	Very high	92	Very high	11 Å²	11	33.1 Å²	33.1	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	113.3	179.3	179.3	0	0	0	0	108.2	H231 Y232 D233 A240 L243 V244 G248	H231-V251 HydrophobicContact CB-CG1 3.83Å; Y232-V251 WeakPolarHBondContact O-CA 3.27Å; D233-V251 HydrophobicContact CB-CG2 4.23Å; A240-V251 HydrophobicContact CB-CG2 3.83Å; L243-V251 HydrophobicContact CB-CB 4.28Å; L243-V251 HydrophobicContact CB-CG2 3.76Å; L243-V251 HydrophobicContact CD1-CG2 4.29Å; V244-V251 HydrophobicContact CG2-CG1 4.03Å; G248-V251 PolarHBondContact O-N 3.29Å
252	V	92.4	Very high	92	Very high	12 Å²	12	34.2 Å²	34.2	7%	0.073	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.2	-174.6	-63.6	0	0	0	0	110.6	T133 H231 Y232 H234 I254 V290	T133-V252 HydrophobicContact CG2-CG1 4.45Å; H231-V252 CarbonylContact C-O 3.54Å; H231-V252 VanDerWaalsContact CA-O 3.26Å; H231-V252 WeakPolarHBondContact CA-O 3.17Å; Y232-V252 PolarHBondContact N-O 2.99Å; Y232-V252 PolarHBondContact O-N 3.06Å; H234-V252 VanDerWaalsContact NE2-CG2 3.34Å; H234-V252 WeakPolarHBondContact NE2-CG2 3.33Å; V252-I254 HydrophobicContact CG2-CG2 4.05Å; V252-I254 PolarHBondContact O-N 3.28Å; V252-V290 HydrophobicContact CG2-CG2 4.24Å
253	E	95.1	Very high	91.8	Very high	51 Å²	51	30.5 Å²	30.5	24%	0.238	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.4	168.7	180	-129.5	147.7	0	0	108.7	E229 R286	E229-E253 HydrophobicContact CB-CG 4.19Å; E253-R286 WeakPolarHBondContact O-CD 3.37Å; E253-R286 PolarHBondContact O-NH1 3.07Å; E253-R286 IonicContact OE2-NH1 3.86Å; E253-R286 PolarHBondContact OE2-NH1 2.8Å
254	I	95.4	Very high	91.6	Very high	1 Å²	1	29 Å²	29	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-27.7	-178.3	55.8	169.7	0	0	0	112.7	L162 L173 I230 V252 M282 G283 V290	L162-I254 HydrophobicContact CD1-CD1 3.96Å; L162-I254 HydrophobicContact CD2-CD1 4.06Å; L173-I254 HydrophobicContact CD2-CD1 4.12Å; I230-I254 HydrophobicContact CB-CG1 4.46Å; I230-I254 HydrophobicContact CG2-CD1 4.39Å; I230-I254 HydrophobicContact CG2-CG1 4.34Å; I230-I254 VanDerWaalsContact O-CG1 3.26Å; I230-I254 WeakPolarHBondContact O-CG1 3.38Å; I230-I254 PolarHBondContact O-N 2.92Å; V252-I254 HydrophobicContact CG2-CG2 4.05Å; V252-I254 PolarHBondContact O-N 3.28Å; I254-M282 VanDerWaalsContact O-CG 3.32Å; I254-M282 WeakPolarHBondContact O-CG 3.47Å; I254-G283 PolarHBondContact O-N 3.27Å; I254-V290 HydrophobicContact CG2-CG2 3.97Å
255	W	97.6	Very high	91.2	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	131	-176.5	-157.4	-12.9	0	0	0	111.3	F53 F57 A158 L161 L162 E229 I230 L257 T280 M282	F53-W255 HydrophobicContact CE2-CH2 4.19Å; F53-W255 AromaticContact CE2-CZ2 3.94Å; F53-W255 HydrophobicContact CE2-CZ2 3.94Å; F57-W255 HydrophobicContact CE2-CH2 4.22Å; F57-W255 HydrophobicContact CE2-CZ2 4.34Å; F57-W255 HydrophobicContact CZ-CH2 4.12Å; F57-W255 HydrophobicContact CZ-CZ2 4.17Å; A158-W255 VanDerWaalsContact CA-CZ3 3.45Å; A158-W255 HydrophobicContact CB-CD2 4.35Å; A158-W255 HydrophobicContact CB-CE3 3.89Å; A158-W255 HydrophobicContact CB-CH2 3.84Å; A158-W255 HydrophobicContact CB-CZ2 4.3Å; A158-W255 HydrophobicContact CB-CZ3 3.63Å; L161-W255 HydrophobicContact CB-CH2 4.47Å; L161-W255 HydrophobicContact CB-CZ3 4.28Å; L161-W255 HydrophobicContact CD2-CH2 3.68Å; L161-W255 HydrophobicContact CD2-CZ3 3.92Å; L161-W255 HydrophobicContact CG-CZ3 4.43Å; L162-W255 HydrophobicContact CD1-CE3 4.02Å; L162-W255 HydrophobicContact CD2-CE3 4.11Å; L162-W255 HydrophobicContact CD2-CZ3 4.36Å; L162-W255 HydrophobicContact CG-CE3 3.99Å; L162-W255 HydrophobicContact CG-CZ3 4.12Å; E229-W255 CarbonylContact C-O 3.49Å; E229-W255 WeakPolarHBondContact CA-O 3.02Å; I230-W255 HydrophobicContact CB-CB 4.34Å; I230-W255 HydrophobicContact CD1-CB 4.4Å; I230-W255 HydrophobicContact CD1-CE3 4.48Å; I230-W255 PolarHBondContact N-O 3.19Å; I230-W255 PolarHBondContact O-N 2.71Å; W255-L257 HydrophobicContact CB-CD1 4.45Å; W255-L257 HydrophobicContact CD2-CD1 4.19Å; W255-L257 HydrophobicContact CG-CD1 3.88Å; W255-T280 PolarHBondContact NE1-OG1 3.29Å; W255-M282 HydrophobicContact CB-CB 4.27Å; W255-M282 HydrophobicContact CB-CG 4.39Å; W255-M282 HydrophobicContact CB-SD 4.39Å; W255-M282 HydrophobicContact CD2-CB 3.95Å; W255-M282 HydrophobicContact CD2-CG 4.34Å; W255-M282 HydrophobicContact CD2-SD 3.71Å; W255-M282 HydrophobicContact CE3-CE 4.4Å; W255-M282 HydrophobicContact CE3-SD 3.56Å; W255-M282 VanDerWaalsContact CE3-SD 3.56Å; W255-M282 HydrophobicContact CG-CB 3.7Å; W255-M282 HydrophobicContact CG-CG 4.2Å; W255-M282 HydrophobicContact CG-SD 4.11Å; W255-M282 HydrophobicContact CZ3-CE 4.37Å; W255-M282 HydrophobicContact CZ3-SD 4.07Å
256	N	97.7	Very high	90.7	Very high	17 Å²	17	32.4 Å²	32.4	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.9	170.7	-168.1	-15.8	0	0	0	110.6	C227 T228 E229 T280 G281	C227-N256 VanDerWaalsContact CB-OD1 3.23Å; C227-N256 WeakPolarHBondContact CB-OD1 3.48Å; C227-N256 PolarHBondContact SG-OD1 3.46Å; T228-N256 PolarHBondContact O-OD1 3.34Å; E229-N256 HydrophobicContact CG-CB 4.38Å; N256-T280 CarbonylContact O-C 3.54Å; N256-T280 WeakPolarHBondContact O-CA 3.33Å; N256-G281 PolarHBondContact N-O 3.34Å; N256-G281 PolarHBondContact O-N 3.32Å
257	L	98.4	Very high	90.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	107.6	175.8	-71.3	68.5	0	0	0	108.4	A154 A158 C227 T228 I230 W255 F259 T280	A154-L257 HydrophobicContact CB-CD2 4.12Å; A158-L257 HydrophobicContact CB-CD1 4.2Å; A158-L257 HydrophobicContact CB-CD2 3.92Å; C227-L257 CarbonylContact C-O 3.29Å; C227-L257 WeakPolarHBondContact CA-O 3.43Å; C227-L257 VanDerWaalsContact CB-O 3.24Å; C227-L257 WeakPolarHBondContact CB-O 3.15Å; T228-L257 HydrophobicContact CG2-CB 3.72Å; T228-L257 HydrophobicContact CG2-CD2 4.35Å; T228-L257 HydrophobicContact CG2-CG 4.5Å; T228-L257 PolarHBondContact N-O 3.17Å; T228-L257 PolarHBondContact O-N 3.35Å; I230-L257 HydrophobicContact CD1-CD1 4.13Å; I230-L257 HydrophobicContact CG1-CD1 4.45Å; W255-L257 HydrophobicContact CB-CD1 4.45Å; W255-L257 HydrophobicContact CD2-CD1 4.19Å; W255-L257 HydrophobicContact CG-CD1 3.88Å; L257-F259 HydrophobicContact CB-CE1 4.43Å; L257-F259 HydrophobicContact CB-CZ 4.35Å; L257-T280 HydrophobicContact CB-CG2 4.47Å; L257-T280 HydrophobicContact CG-CG2 3.96Å
258	V	97.9	Very high	90.7	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.7	-178.9	-174.8	0	0	0	0	110.3	W216 C227 I260 D279	W216-V258 HydrophobicContact CB-CB 4.34Å; W216-V258 HydrophobicContact CB-CG1 3.77Å; W216-V258 HydrophobicContact CB-CG2 3.59Å; W216-V258 HydrophobicContact CD2-CG1 4.47Å; W216-V258 HydrophobicContact CD2-CG2 4.05Å; W216-V258 HydrophobicContact CE3-CG1 4.18Å; W216-V258 HydrophobicContact CE3-CG2 4.45Å; W216-V258 HydrophobicContact CG-CG1 4.35Å; W216-V258 HydrophobicContact CG-CG2 3.66Å; C227-V258 HydrophobicContact CB-CB 4.15Å; C227-V258 HydrophobicContact CB-CG1 4.39Å; C227-V258 HydrophobicContact CB-CG2 3.82Å; V258-I260 HydrophobicContact CG1-CG1 3.92Å; V258-I260 PolarHBondContact O-N 3.25Å; V258-D279 WeakPolarHBondContact CA-O 3.35Å; V258-D279 HydrophobicContact CB-CB 4.26Å; V258-D279 WeakPolarHBondContact CB-O 3.44Å; V258-D279 PolarHBondContact N-O 2.93Å; V258-D279 PolarHBondContact O-N 3.1Å
259	F	97.6	Very high	91.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	83	178.2	-54.5	-51.9	0	0	0	109.1	F150 K151 A154 T192 G225 P226 T228 L257 Q261	F150-F259 HydrophobicContact CE1-CB 4.49Å; F150-F259 HydrophobicContact CE2-CB 3.74Å; F150-F259 HydrophobicContact CE2-CD1 4.28Å; F150-F259 HydrophobicContact CE2-CG 4.41Å; F150-F259 HydrophobicContact CZ-CB 3.6Å; F150-F259 HydrophobicContact CZ-CG 4.34Å; K151-F259 HydrophobicContact CB-CD1 4.37Å; K151-F259 HydrophobicContact CB-CE1 4Å; K151-F259 HydrophobicContact CB-CZ 4.13Å; K151-F259 HydrophobicContact CD-CD2 4.27Å; K151-F259 HydrophobicContact CD-CE2 4.45Å; K151-F259 HydrophobicContact CD-CG 4.37Å; K151-F259 HydrophobicContact CG-CB 4.43Å; K151-F259 HydrophobicContact CG-CD1 3.48Å; K151-F259 VanDerWaalsContact CG-CD1 3.48Å; K151-F259 HydrophobicContact CG-CD2 3.78Å; K151-F259 HydrophobicContact CG-CE1 3.54Å; K151-F259 HydrophobicContact CG-CE2 3.81Å; K151-F259 HydrophobicContact CG-CG 3.61Å; K151-F259 HydrophobicContact CG-CZ 3.7Å; A154-F259 HydrophobicContact CB-CE1 4.4Å; T192-F259 HydrophobicContact CG2-CE2 3.91Å; T192-F259 HydrophobicContact CG2-CZ 4.43Å; T192-F259 VanDerWaalsContact OG1-CE2 3.32Å; T192-F259 WeakPolarHBondContact OG1-CE2 3.34Å; G225-F259 WeakPolarHBondContact CA-O 3.47Å; P226-F259 HydrophobicContact CG-CB 4.39Å; P226-F259 WeakPolarHBondContact O-CB 3.37Å; P226-F259 PolarHBondContact O-N 3.33Å; T228-F259 HydrophobicContact CG2-CE2 3.74Å; T228-F259 HydrophobicContact CG2-CZ 3.61Å; L257-F259 HydrophobicContact CB-CE1 4.43Å; L257-F259 HydrophobicContact CB-CZ 4.35Å; F259-Q261 PolarHBondContact O-N 2.89Å; F259-Q261 VanDerWaalsContact O-N 3.11Å
260	I	96.1	Very high	91.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	112.3	-176.3	-61.1	-178.2	0	0	0	109	M86 L93 P223 V258 L273 F276 S277 D279	M86-I260 HydrophobicContact CE-CD1 4.38Å; L93-I260 HydrophobicContact CD1-CD1 3.79Å; L93-I260 HydrophobicContact CD2-CD1 4.17Å; L93-I260 HydrophobicContact CD2-CG2 4.3Å; P223-I260 HydrophobicContact CB-CG2 3.83Å; V258-I260 HydrophobicContact CG1-CG1 3.92Å; V258-I260 PolarHBondContact O-N 3.25Å; I260-L273 HydrophobicContact CG2-CD1 3.47Å; I260-L273 VanDerWaalsContact CG2-CD1 3.47Å; I260-F276 WeakPolarHBondContact O-CA 3.17Å; I260-S277 PolarHBondContact N-O 2.97Å; I260-S277 PolarHBondContact O-N 2.7Å; I260-D279 HydrophobicContact CD1-CB 3.55Å; I260-D279 HydrophobicContact CG1-CB 4.11Å
261	Q	94.6	Very high	91.7	Very high	24 Å²	24	35.6 Å²	35.6	11%	0.112	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	-7.9	-177.5	69.1	-172.3	35	0	0	113.1	C224 F259 L272 L273 F276	C224-Q261 PolarHBondContact O-N 2.86Å; F259-Q261 PolarHBondContact O-N 2.89Å; F259-Q261 VanDerWaalsContact O-N 3.11Å; Q261-L272 WeakPolarHBondContact O-CA 3.38Å; Q261-L273 PolarHBondContact O-N 3.32Å; Q261-F276 HydrophobicContact CB-CD1 3.58Å; Q261-F276 HydrophobicContact CB-CE1 3.79Å; Q261-F276 HydrophobicContact CB-CG 4.03Å; Q261-F276 HydrophobicContact CB-CZ 4.36Å
262	Y	93.8	Very high	91.7	Very high	44 Å²	44	39.7 Å²	39.7	17%	0.173	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158.7	177.3	-55.9	-73.8	0	0	0	112.3	L186 F215 P223 C224 L270 R271 L272 L273	L186-Y262 HydrophobicContact CD2-CE2 4.28Å; F215-Y262 HydrophobicContact CE2-CD2 4.33Å; F215-Y262 HydrophobicContact CE2-CE2 4.43Å; F215-Y262 HydrophobicContact CZ-CD2 4.19Å; P223-Y262 CarbonylContact C-O 3.47Å; P223-Y262 WeakPolarHBondContact CA-O 3.06Å; C224-Y262 PolarHBondContact N-O 2.93Å; C224-Y262 PolarHBondContact O-N 3.35Å; C224-Y262 VanDerWaalsContact O-O 3.09Å; Y262-L270 HydrophobicContact CD1-CB 4.16Å; Y262-L270 HydrophobicContact CG-CB 4.33Å; Y262-L270 HydrophobicContact CG-CD1 4.5Å; Y262-L270 HydrophobicContact CG-CD2 4.44Å; Y262-R271 CarbonylContact C-O 3.59Å; Y262-R271 WeakPolarHBondContact CA-O 3.41Å; Y262-L272 HydrophobicContact CD1-CD2 3.75Å; Y262-L272 HydrophobicContact CD1-CG 4.07Å; Y262-L272 HydrophobicContact CE1-CD2 3.36Å; Y262-L272 HydrophobicContact CE1-CG 3.82Å; Y262-L273 WeakPolarHBondContact O-CD1 3.37Å
263	N	90.9	Very high	91.6	Very high	17 Å²	17	39.6 Å²	39.6	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.3	161.8	-170.6	63.3	0	0	0	108.6	L94 G222 E265 R271 L273	L94-N263 WeakPolarHBondContact CD2-OD1 3.24Å; G222-N263 VanDerWaalsContact CA-OD1 3.25Å; G222-N263 WeakPolarHBondContact CA-OD1 3.39Å; G222-N263 PolarHBondContact O-OD1 3.47Å; N263-E265 PolarHBondContact ND2-OE1 3.4Å; N263-R271 PolarHBondContact N-O 2.94Å; N263-R271 PolarHBondContact O-N 3.35Å; N263-L273 HydrophobicContact CB-CD2 3.96Å; N263-L273 HydrophobicContact CB-CG 4.45Å
264	R	89.9	Confident	91.2	Very high	31 Å²	31	40.5 Å²	40.5	12%	0.117	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	120.6	171.7	-175.8	74.7	69.2	-172.6	-0.5	109.4	E217 D220 T221 G222 H268 L270	E217-R264 IonicContact OE2-CZ 3.13Å; E217-R264 IonicContact OE2-NE 2.72Å; E217-R264 PolarHBondContact OE2-NE 3.28Å; E217-R264 VanDerWaalsContact OE2-NE 3.14Å; E217-R264 IonicContact OE2-NH2 2.79Å; E217-R264 PolarHBondContact OE2-NH2 3.26Å; D220-R264 VanDerWaalsContact O-CG 3.25Å; D220-R264 WeakPolarHBondContact O-CG 3.44Å; T221-R264 VanDerWaalsContact CA-O 3.3Å; T221-R264 WeakPolarHBondContact CA-O 3.46Å; T221-R264 WeakPolarHBondContact CB-O 3.27Å; G222-R264 PolarHBondContact N-O 2.91Å; G222-R264 PolarHBondContact O-N 2.98Å; R264-H268 WeakPolarHBondContact CD-O 3.28Å; R264-H268 PolarHBondContact NH1-O 2.94Å; R264-L270 HydrophobicContact CB-CD2 4.36Å; R264-L270 VanDerWaalsContact NH1-CG 3.27Å
265	E	85.2	Confident	90.9	Very high	40 Å²	40	45.4 Å²	45.4	19%	0.187	24%	0.24	C	C	.	.			trans	-85.5	166.8	176.9	-61.3	-58	148.2	0	0	111.7	N263 D267 H268 S269 R271	N263-E265 PolarHBondContact ND2-OE1 3.4Å; E265-D267 VanDerWaalsContact CB-OD1 3.31Å; E265-D267 WeakPolarHBondContact CB-OD1 3.32Å; E265-D267 PolarHBondContact O-N 2.73Å; E265-H268 WeakPolarHBondContact O-CA 3.39Å; E265-H268 PolarHBondContact O-N 3.49Å; E265-S269 PolarHBondContact N-O 3.41Å; E265-R271 HydrophobicContact CG-CG 3.86Å; E265-R271 WeakPolarHBondContact OE1-CD 2.95Å; E265-R271 IonicContact OE1-NE 3.53Å
266	A	80	Confident	90.8	Very high	87 Å²	87	49.6 Å²	49.6	72%	0.719	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.3	-179.1	0	0	0	0	0	114.2	T221 H268	T221-A266 HydrophobicContact CG2-CB 4.22Å; A266-H268 VanDerWaalsContact C-N 3.25Å
267	D	81.3	Confident	90.7	Very high	112 Å²	112	49 Å²	49	60%	0.599	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	10.4	172.8	66.7	-2.2	0	0	0	113	E265 S269	E265-D267 VanDerWaalsContact CB-OD1 3.31Å; E265-D267 WeakPolarHBondContact CB-OD1 3.32Å; E265-D267 PolarHBondContact O-N 2.73Å; D267-S269 PolarHBondContact O-N 2.94Å; D267-S269 WeakPolarHBondContact OD1-CB 3.28Å; D267-S269 PolarHBondContact OD1-N 2.79Å; D267-S269 PolarHBondContact OD1-OG 3Å; D267-S269 PolarHBondContact OD2-OG 2.89Å
268	H	82.9	Confident	90.7	Very high	122 Å²	122	49 Å²	49	57%	0.565	26%	0.256	S	S	*	.	S	Bend	trans	66.7	4.1	-175	-53	-72.3	0	0	0	116	R264 E265 A266	R264-H268 WeakPolarHBondContact CD-O 3.28Å; R264-H268 PolarHBondContact NH1-O 2.94Å; E265-H268 WeakPolarHBondContact O-CA 3.39Å; E265-H268 PolarHBondContact O-N 3.49Å; A266-H268 VanDerWaalsContact C-N 3.25Å
269	S	87.3	Confident	90.7	Very high	45 Å²	45	49.1 Å²	49.1	32%	0.315	26%	0.257	S	S	.	.			trans	-66.5	152.6	172.9	69.9	0	0	0	0	111.6	E265 D267	E265-S269 PolarHBondContact N-O 3.41Å; D267-S269 PolarHBondContact O-N 2.94Å; D267-S269 WeakPolarHBondContact OD1-CB 3.28Å; D267-S269 PolarHBondContact OD1-N 2.79Å; D267-S269 PolarHBondContact OD1-OG 3Å; D267-S269 PolarHBondContact OD2-OG 2.89Å
270	L	90	Very high	90.7	Very high	45 Å²	45	49.2 Å²	49.2	24%	0.236	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.5	176.4	-69.5	175.4	0	0	0	110	L186 F215 C224 Y262 R264	L186-L270 HydrophobicContact CD1-CD1 3.93Å; L186-L270 HydrophobicContact CD2-CD1 3.88Å; L186-L270 HydrophobicContact CG-CD1 4.31Å; F215-L270 HydrophobicContact CZ-CD1 3.95Å; F215-L270 HydrophobicContact CZ-CD2 4.41Å; C224-L270 VanDerWaalsContact SG-CD2 3.52Å; Y262-L270 HydrophobicContact CD1-CB 4.16Å; Y262-L270 HydrophobicContact CG-CB 4.33Å; Y262-L270 HydrophobicContact CG-CD1 4.5Å; Y262-L270 HydrophobicContact CG-CD2 4.44Å; R264-L270 HydrophobicContact CB-CD2 4.36Å; R264-L270 VanDerWaalsContact NH1-CG 3.27Å
271	R	89.4	Confident	90.7	Very high	82 Å²	82	49.9 Å²	49.9	31%	0.309	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.1	172.3	-66.3	-172.3	-179.3	179.9	-3.1	110.1	Y262 N263 E265 L273 D505 L507	Y262-R271 CarbonylContact C-O 3.59Å; Y262-R271 WeakPolarHBondContact CA-O 3.41Å; N263-R271 PolarHBondContact N-O 2.94Å; N263-R271 PolarHBondContact O-N 3.35Å; E265-R271 HydrophobicContact CG-CG 3.86Å; E265-R271 WeakPolarHBondContact OE1-CD 2.95Å; E265-R271 IonicContact OE1-NE 3.53Å; R271-L273 PolarHBondContact O-N 2.97Å; R271-D505 IonicContact NH1-OD2 2.77Å; R271-D505 PolarHBondContact NH1-OD2 2.87Å; R271-L507 HydrophobicContact CB-CD1 4.27Å; R271-L507 HydrophobicContact CG-CD1 4.45Å
272	L	91.8	Very high	90.8	Very high	98 Å²	98	48.7 Å²	48.7	51%	0.513	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	134.7	176.9	-82	165.4	0	0	0	111	Q261 Y262 F276 L507	Q261-L272 WeakPolarHBondContact O-CA 3.38Å; Y262-L272 HydrophobicContact CD1-CD2 3.75Å; Y262-L272 HydrophobicContact CD1-CG 4.07Å; Y262-L272 HydrophobicContact CE1-CD2 3.36Å; Y262-L272 HydrophobicContact CE1-CG 3.82Å; L272-F276 HydrophobicContact CD2-CE1 4.09Å; L272-F276 HydrophobicContact CD2-CZ 4.22Å; L272-L507 WeakPolarHBondContact O-CD2 3.41Å
273	L	91.6	Very high	90.9	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.047	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	147.7	173.7	-73.1	169.3	0	0	0	110.7	P223 I260 Q261 Y262 N263 R271 Q275 V506	P223-L273 HydrophobicContact CB-CD1 4.42Å; I260-L273 HydrophobicContact CG2-CD1 3.47Å; I260-L273 VanDerWaalsContact CG2-CD1 3.47Å; Q261-L273 PolarHBondContact O-N 3.32Å; Y262-L273 WeakPolarHBondContact O-CD1 3.37Å; N263-L273 HydrophobicContact CB-CD2 3.96Å; N263-L273 HydrophobicContact CB-CG 4.45Å; R271-L273 PolarHBondContact O-N 2.97Å; L273-Q275 PolarHBondContact O-N 3.15Å; L273-V506 HydrophobicContact CD2-CB 4.46Å; L273-V506 HydrophobicContact CD2-CG1 3.79Å; L273-V506 HydrophobicContact CD2-CG2 4.49Å
274	P	86.3	Confident	91.2	Very high	70 Å²	70	46.6 Å²	46.6	46%	0.455	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	-28.8	178.6	-19.9	29.9	0	0	0	113.9	V506 A510	P274-V506 HydrophobicContact CG-CG1 3.99Å; P274-A510 HydrophobicContact CB-CB 3.66Å; P274-A510 HydrophobicContact CG-CB 3.28Å
275	Q	89.2	Confident	91.5	Very high	104 Å²	104	45.2 Å²	45.2	49%	0.486	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.9	177	-66	-175.5	1.6	0	0	108.7	L273	L273-Q275 PolarHBondContact O-N 3.15Å
276	F	94.9	Very high	92	Very high	90 Å²	90	45.8 Å²	45.8	40%	0.395	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	143.7	172.8	-57.9	-17.1	0	0	0	109.7	G147 F150 I260 Q261 L272	G147-F276 WeakPolarHBondContact CA-O 3.5Å; G147-F276 PolarHBondContact N-O 2.72Å; F150-F276 HydrophobicContact CD2-CB 3.95Å; F150-F276 HydrophobicContact CE1-CB 4.47Å; F150-F276 HydrophobicContact CE1-CD2 4.12Å; F150-F276 HydrophobicContact CE2-CB 3.63Å; F150-F276 HydrophobicContact CE2-CG 4.47Å; F150-F276 HydrophobicContact CZ-CB 3.89Å; F150-F276 HydrophobicContact CZ-CD2 4.13Å; F150-F276 HydrophobicContact CZ-CG 4.26Å; I260-F276 WeakPolarHBondContact O-CA 3.17Å; Q261-F276 HydrophobicContact CB-CD1 3.58Å; Q261-F276 HydrophobicContact CB-CE1 3.79Å; Q261-F276 HydrophobicContact CB-CG 4.03Å; Q261-F276 HydrophobicContact CB-CZ 4.36Å; L272-F276 HydrophobicContact CD2-CE1 4.09Å; L272-F276 HydrophobicContact CD2-CZ 4.22Å
277	S	96.6	Very high	92.8	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.028	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.9	-173.6	-65.1	0	0	0	0	109.9	L93 S145 I260	L93-S277 VanDerWaalsContact CD2-CB 3.45Å; L93-S277 WeakPolarHBondContact CD2-OG 3.48Å; S145-S277 CarbonylContact O-C 3.29Å; S145-S277 WeakPolarHBondContact O-CA 3.37Å; S145-S277 WeakPolarHBondContact O-CB 3.47Å; S145-S277 PolarHBondContact O-OG 2.79Å; I260-S277 PolarHBondContact N-O 2.97Å; I260-S277 PolarHBondContact O-N 2.7Å
278	V	97.9	Very high	93.5	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.1	172.6	-179	0	0	0	0	108.1	W144 S145 Y149 F150 A154 T280	W144-V278 VanDerWaalsContact CA-O 3.26Å; W144-V278 WeakPolarHBondContact CA-O 3.24Å; S145-V278 PolarHBondContact N-O 2.84Å; S145-V278 PolarHBondContact O-N 2.73Å; Y149-V278 HydrophobicContact CD2-CG2 4.04Å; Y149-V278 HydrophobicContact CE2-CB 4Å; Y149-V278 HydrophobicContact CE2-CG1 4.19Å; Y149-V278 HydrophobicContact CE2-CG2 3.93Å; Y149-V278 WeakPolarHBondContact O-CG2 3.2Å; F150-V278 HydrophobicContact CD2-CG2 3.89Å; A154-V278 HydrophobicContact CB-CG1 3.85Å; A154-V278 HydrophobicContact CB-CG2 4.24Å; V278-T280 HydrophobicContact CG1-CG2 3.64Å
279	D	97.1	Very high	94	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.032	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	115.5	169.3	168	34.8	0	0	0	108.5	M86 W144 V258 I260	M86-D279 HydrophobicContact CB-CB 4.36Å; M86-D279 VanDerWaalsContact CB-OD2 3.3Å; M86-D279 WeakPolarHBondContact CB-OD2 3.28Å; M86-D279 VanDerWaalsContact CG-OD2 3.28Å; M86-D279 WeakPolarHBondContact CG-OD2 3.3Å; W144-D279 PolarHBondContact NE1-OD1 3.23Å; V258-D279 WeakPolarHBondContact CA-O 3.35Å; V258-D279 HydrophobicContact CB-CB 4.26Å; V258-D279 WeakPolarHBondContact CB-O 3.44Å; V258-D279 PolarHBondContact N-O 2.93Å; V258-D279 PolarHBondContact O-N 3.1Å; I260-D279 HydrophobicContact CD1-CB 3.55Å; I260-D279 HydrophobicContact CG1-CB 4.11Å
280	T	97.1	Very high	94.4	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.6	176.7	80.8	0	0	0	0	110.4	G142 S143 W255 N256 L257 V278	G142-T280 WeakPolarHBondContact CA-O 3.43Å; S143-T280 PolarHBondContact N-OG1 3.01Å; S143-T280 PolarHBondContact O-N 3.49Å; S143-T280 VanDerWaalsContact O-N 3.1Å; S143-T280 PolarHBondContact O-OG1 3.34Å; S143-T280 WeakPolarHBondContact OG-CG2 3.5Å; S143-T280 PolarHBondContact OG-OG1 2.99Å; W255-T280 PolarHBondContact NE1-OG1 3.29Å; N256-T280 CarbonylContact O-C 3.54Å; N256-T280 WeakPolarHBondContact O-CA 3.33Å; L257-T280 HydrophobicContact CB-CG2 4.47Å; L257-T280 HydrophobicContact CG-CG2 3.96Å; V278-T280 HydrophobicContact CG1-CG2 3.64Å
281	G	96.4	Very high	94.6	Very high	14 Å²	14	26.5 Å²	26.5	14%	0.144	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	112.3	174.1	0	0	0	0	0	111.9	N256	N256-G281 PolarHBondContact N-O 3.34Å; N256-G281 PolarHBondContact O-N 3.32Å
282	M	97.3	Very high	94.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.4	174.1	177.2	158.8	72.1	0	0	109.9	F53 L141 L161 L162 I254 W255 L284 L287	F53-M282 HydrophobicContact CD2-CE 3.26Å; F53-M282 HydrophobicContact CE2-CE 3.55Å; F53-M282 HydrophobicContact CG-CE 4.3Å; L141-M282 HydrophobicContact CB-CB 4.17Å; L141-M282 HydrophobicContact CB-CE 4.22Å; L141-M282 HydrophobicContact CD1-CE 3.7Å; L141-M282 PolarHBondContact N-O 3.44Å; L141-M282 PolarHBondContact O-N 2.88Å; L161-M282 HydrophobicContact CD2-CE 4.48Å; L162-M282 HydrophobicContact CD2-SD 4.28Å; I254-M282 VanDerWaalsContact O-CG 3.32Å; I254-M282 WeakPolarHBondContact O-CG 3.47Å; W255-M282 HydrophobicContact CB-CB 4.27Å; W255-M282 HydrophobicContact CB-CG 4.39Å; W255-M282 HydrophobicContact CB-SD 4.39Å; W255-M282 HydrophobicContact CD2-CB 3.95Å; W255-M282 HydrophobicContact CD2-CG 4.34Å; W255-M282 HydrophobicContact CD2-SD 3.71Å; W255-M282 HydrophobicContact CE3-CE 4.4Å; W255-M282 HydrophobicContact CE3-SD 3.56Å; W255-M282 VanDerWaalsContact CE3-SD 3.56Å; W255-M282 HydrophobicContact CG-CB 3.7Å; W255-M282 HydrophobicContact CG-CG 4.2Å; W255-M282 HydrophobicContact CG-SD 4.11Å; W255-M282 HydrophobicContact CZ3-CE 4.37Å; W255-M282 HydrophobicContact CZ3-SD 4.07Å; M282-L284 PolarHBondContact O-N 3.01Å; M282-L287 HydrophobicContact CE-CD2 3.64Å; M282-L287 HydrophobicContact CG-CB 4.48Å; M282-L287 HydrophobicContact CG-CD2 4.38Å; M282-L287 HydrophobicContact SD-CD1 4.44Å; M282-L287 HydrophobicContact SD-CD2 3.71Å; M282-L287 HydrophobicContact SD-CG 4.47Å
283	G	96	Very high	94.9	Very high	16 Å²	16	22.3 Å²	22.3	17%	0.165	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	113.1	177.6	0	0	0	0	0	110.7	I254 E285 R286 L287	I254-G283 PolarHBondContact O-N 3.27Å; G283-E285 VanDerWaalsContact C-N 3.3Å; G283-E285 PolarHBondContact O-N 3.4Å; G283-R286 PolarHBondContact O-N 3.4Å; G283-L287 PolarHBondContact O-N 3.19Å
284	L	97.1	Very high	94.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.9	-46.2	-179.8	177.3	67	0	0	0	110.8	V49 R50 E139 L141 M282 R286 L287 V288	V49-L284 HydrophobicContact CB-CD1 4.28Å; V49-L284 HydrophobicContact CG1-CD1 3.88Å; R50-L284 HydrophobicContact CB-CD1 4.35Å; R50-L284 VanDerWaalsContact NH2-CD2 3.25Å; E139-L284 HydrophobicContact CB-CB 3.91Å; E139-L284 HydrophobicContact CB-CD2 3.92Å; E139-L284 HydrophobicContact CG-CD2 4.37Å; E139-L284 WeakPolarHBondContact O-CB 3.22Å; E139-L284 PolarHBondContact O-N 3.32Å; E139-L284 WeakPolarHBondContact OE1-CD2 3.31Å; L141-L284 HydrophobicContact CD1-CB 4.39Å; L141-L284 HydrophobicContact CD1-CD1 3.82Å; L141-L284 HydrophobicContact CG-CB 4.22Å; L141-L284 HydrophobicContact CG-CD1 4.33Å; M282-L284 PolarHBondContact O-N 3.01Å; L284-R286 VanDerWaalsContact C-N 3.32Å; L284-R286 PolarHBondContact O-N 3.44Å; L284-L287 PolarHBondContact O-N 3.02Å; L284-V288 HydrophobicContact CD1-CG2 3.82Å; L284-V288 HydrophobicContact CG-CG2 4.12Å; L284-V288 WeakPolarHBondContact O-CB 3.31Å; L284-V288 VanDerWaalsContact O-CG2 3.22Å; L284-V288 WeakPolarHBondContact O-CG2 3.3Å; L284-V288 PolarHBondContact O-N 2.98Å
285	E	96.2	Very high	95	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.014	16%	0.156	C	C	.	.	H	α-helix	trans	-56.3	-45.3	-178.8	-73.6	71.3	-169.4	0	0	111.8	F138 E139 G283 G289 N297 L302 F303 R343	F138-E285 WeakPolarHBondContact CB-OE2 3.41Å; E139-E285 PolarHBondContact N-OE1 3.3Å; E139-E285 PolarHBondContact N-OE2 3.01Å; E139-E285 VanDerWaalsContact N-OE2 3.08Å; G283-E285 VanDerWaalsContact C-N 3.3Å; G283-E285 PolarHBondContact O-N 3.4Å; E285-G289 PolarHBondContact O-N 2.89Å; E285-G289 VanDerWaalsContact O-N 3.08Å; E285-N297 HydrophobicContact CB-CB 4.27Å; E285-N297 PolarHBondContact O-OD1 3.1Å; E285-L302 HydrophobicContact CB-CD1 4.39Å; E285-L302 HydrophobicContact CG-CD1 3.97Å; E285-F303 HydrophobicContact CG-CE2 4.11Å; E285-F303 HydrophobicContact CG-CZ 4.46Å; E285-R343 IonicContact OE1-CZ 3.18Å; E285-R343 IonicContact OE1-NH1 2.79Å; E285-R343 IonicContact OE1-NH2 3.6Å; E285-R343 PolarHBondContact OE1-NH2 3.09Å
286	R	95.3	Very high	95.1	Very high	52 Å²	52	26.2 Å²	26.2	20%	0.196	14%	0.137	C	C	.	.	H	α-helix	trans	-68.8	-45.4	178.9	-67.2	-173.4	-178	171	-0.2	111.4	E253 G283 L284 V288 G289 V290	E253-R286 WeakPolarHBondContact O-CD 3.37Å; E253-R286 PolarHBondContact O-NH1 3.07Å; E253-R286 IonicContact OE2-NH1 3.86Å; E253-R286 PolarHBondContact OE2-NH1 2.8Å; G283-R286 PolarHBondContact O-N 3.4Å; L284-R286 VanDerWaalsContact C-N 3.32Å; L284-R286 PolarHBondContact O-N 3.44Å; R286-V288 PolarHBondContact O-N 2.98Å; R286-G289 PolarHBondContact O-N 2.86Å; R286-V290 PolarHBondContact O-N 3.31Å
287	L	96.4	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.7	-43.8	178.8	178.4	66.4	0	0	0	111.6	V49 L162 Y166 I168 M282 G283 L284 G289 V290 L291	V49-L287 HydrophobicContact CG1-CD2 3.47Å; V49-L287 VanDerWaalsContact CG1-CD2 3.47Å; V49-L287 HydrophobicContact CG1-CG 4.06Å; L162-L287 HydrophobicContact CD2-CD1 4.16Å; Y166-L287 HydrophobicContact CD2-CD2 4.43Å; Y166-L287 HydrophobicContact CE2-CD2 3.84Å; I168-L287 HydrophobicContact CD1-CD1 4.04Å; M282-L287 HydrophobicContact CE-CD2 3.64Å; M282-L287 HydrophobicContact CG-CB 4.48Å; M282-L287 HydrophobicContact CG-CD2 4.38Å; M282-L287 HydrophobicContact SD-CD1 4.44Å; M282-L287 HydrophobicContact SD-CD2 3.71Å; M282-L287 HydrophobicContact SD-CG 4.47Å; G283-L287 PolarHBondContact O-N 3.19Å; L284-L287 PolarHBondContact O-N 3.02Å; L287-G289 VanDerWaalsContact C-N 3.3Å; L287-G289 PolarHBondContact O-N 3.5Å; L287-V290 WeakPolarHBondContact O-CB 3.29Å; L287-V290 PolarHBondContact O-N 2.92Å; L287-V290 VanDerWaalsContact O-N 3.17Å; L287-L291 HydrophobicContact CD1-CD1 4.03Å; L287-L291 HydrophobicContact CD1-CG 4.16Å; L287-L291 HydrophobicContact CD2-CD1 4.28Å; L287-L291 HydrophobicContact CG-CD1 3.83Å; L287-L291 HydrophobicContact CG-CG 4.31Å; L287-L291 WeakPolarHBondContact O-CG 3.49Å; L287-L291 PolarHBondContact O-N 3.34Å
288	V	96.4	Very high	95	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62	-41	176.7	173.1	0	0	0	0	110.6	A46 V49 L284 R286 V290 L291 Q292 T300 L302	A46-V288 HydrophobicContact CB-CG1 4.14Å; A46-V288 HydrophobicContact CB-CG2 3.77Å; V49-V288 HydrophobicContact CB-CG2 4.1Å; V49-V288 HydrophobicContact CG1-CG2 4.15Å; V49-V288 HydrophobicContact CG2-CG2 4.1Å; L284-V288 HydrophobicContact CD1-CG2 3.82Å; L284-V288 HydrophobicContact CG-CG2 4.12Å; L284-V288 WeakPolarHBondContact O-CB 3.31Å; L284-V288 VanDerWaalsContact O-CG2 3.22Å; L284-V288 WeakPolarHBondContact O-CG2 3.3Å; L284-V288 PolarHBondContact O-N 2.98Å; R286-V288 PolarHBondContact O-N 2.98Å; V288-V290 VanDerWaalsContact C-N 3.31Å; V288-V290 PolarHBondContact O-N 2.91Å; V288-L291 PolarHBondContact O-N 3.32Å; V288-Q292 HydrophobicContact CG1-CG 4.2Å; V288-Q292 VanDerWaalsContact CG1-NE2 3.27Å; V288-Q292 WeakPolarHBondContact O-CB 3.45Å; V288-Q292 WeakPolarHBondContact O-CG 3.16Å; V288-Q292 PolarHBondContact O-N 3.22Å; V288-T300 HydrophobicContact CG1-CG2 3.96Å; V288-L302 HydrophobicContact CB-CD1 4.22Å; V288-L302 HydrophobicContact CG1-CD1 4.34Å; V288-L302 HydrophobicContact CG2-CD1 4.24Å
289	G	94.6	Very high	94.9	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-53.1	-48.6	171.7	0	0	0	0	0	112.2	E285 R286 L287 G293 K294	E285-G289 PolarHBondContact O-N 2.89Å; E285-G289 VanDerWaalsContact O-N 3.08Å; R286-G289 PolarHBondContact O-N 2.86Å; L287-G289 VanDerWaalsContact C-N 3.3Å; L287-G289 PolarHBondContact O-N 3.5Å; G289-G293 PolarHBondContact O-N 2.67Å; G289-G293 VanDerWaalsContact O-N 3.17Å; G289-K294 CarbonylContact C-O 3.43Å; G289-K294 PolarHBondContact O-N 2.64Å
290	V	94.4	Very high	94.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-50.7	176.2	171.9	0	0	0	0	112.2	I168 Y232 V252 I254 R286 L287 V288 Q292 G293	I168-V290 HydrophobicContact CD1-CG1 4.21Å; Y232-V290 HydrophobicContact CD1-CB 4.26Å; Y232-V290 HydrophobicContact CD1-CG1 3.76Å; Y232-V290 HydrophobicContact CD1-CG2 3.51Å; Y232-V290 HydrophobicContact CD2-CG1 4.01Å; Y232-V290 HydrophobicContact CE1-CB 4.36Å; Y232-V290 HydrophobicContact CE1-CG1 3.68Å; Y232-V290 HydrophobicContact CE1-CG2 4Å; Y232-V290 HydrophobicContact CE2-CG1 3.95Å; Y232-V290 HydrophobicContact CG-CG1 3.91Å; Y232-V290 HydrophobicContact CG-CG2 4.01Å; V252-V290 HydrophobicContact CG2-CG2 4.24Å; I254-V290 HydrophobicContact CG2-CG2 3.97Å; R286-V290 PolarHBondContact O-N 3.31Å; L287-V290 WeakPolarHBondContact O-CB 3.29Å; L287-V290 PolarHBondContact O-N 2.92Å; L287-V290 VanDerWaalsContact O-N 3.17Å; V288-V290 VanDerWaalsContact C-N 3.31Å; V288-V290 PolarHBondContact O-N 2.91Å; V290-Q292 VanDerWaalsContact C-N 3.28Å; V290-Q292 PolarHBondContact O-N 2.86Å; V290-G293 PolarHBondContact O-N 3.45Å
291	L	95.5	Very high	94.7	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.016	14%	0.141	C	C	.	.	H	α-helix	trans	-71.6	-19.5	-175.1	-64.3	175.5	0	0	0	114.2	G43 L44 V49 Y166 I168 L287 V288	G43-L291 PolarHBondContact N-O 2.92Å; L44-L291 HydrophobicContact CD1-CD1 4.29Å; V49-L291 HydrophobicContact CB-CD1 4.47Å; V49-L291 HydrophobicContact CG1-CD1 4Å; V49-L291 HydrophobicContact CG2-CD1 3.61Å; Y166-L291 HydrophobicContact CD1-CD1 3.6Å; Y166-L291 HydrophobicContact CD1-CD2 4.46Å; Y166-L291 HydrophobicContact CE1-CD1 3.97Å; Y166-L291 HydrophobicContact CG-CD1 4.05Å; Y166-L291 HydrophobicContact CG-CD2 4.37Å; I168-L291 HydrophobicContact CD1-CD2 4.03Å; I168-L291 HydrophobicContact CG1-CD2 3.81Å; L287-L291 HydrophobicContact CD1-CD1 4.03Å; L287-L291 HydrophobicContact CD1-CG 4.16Å; L287-L291 HydrophobicContact CD2-CD1 4.28Å; L287-L291 HydrophobicContact CG-CD1 3.83Å; L287-L291 HydrophobicContact CG-CG 4.31Å; L287-L291 WeakPolarHBondContact O-CG 3.49Å; L287-L291 PolarHBondContact O-N 3.34Å; V288-L291 PolarHBondContact O-N 3.32Å
292	Q	94.8	Very high	94.5	Very high	35 Å²	35	25.9 Å²	25.9	16%	0.164	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1.1	172.7	-65.1	-177.9	10.7	0	0	112.7	L44 V288 V290 K294 D301	L44-Q292 PolarHBondContact O-NE2 3.13Å; V288-Q292 HydrophobicContact CG1-CG 4.2Å; V288-Q292 VanDerWaalsContact CG1-NE2 3.27Å; V288-Q292 WeakPolarHBondContact O-CB 3.45Å; V288-Q292 WeakPolarHBondContact O-CG 3.16Å; V288-Q292 PolarHBondContact O-N 3.22Å; V290-Q292 VanDerWaalsContact C-N 3.28Å; V290-Q292 PolarHBondContact O-N 2.86Å; Q292-K294 VanDerWaalsContact C-N 3.26Å; Q292-K294 HydrophobicContact CB-CG 3.98Å; Q292-K294 PolarHBondContact O-N 3.48Å; Q292-D301 VanDerWaalsContact NE2-CG 3.29Å; Q292-D301 PolarHBondContact NE2-OD1 3.37Å
293	G	92.3	Very high	94.5	Very high	57 Å²	57	25.9 Å²	25.9	59%	0.588	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	27.6	-178.9	0	0	0	0	0	113.5	G289 V290	G289-G293 PolarHBondContact O-N 2.67Å; G289-G293 VanDerWaalsContact O-N 3.17Å; V290-G293 PolarHBondContact O-N 3.45Å
294	K	91.8	Very high	94.5	Very high	85 Å²	85	27.7 Å²	27.7	37%	0.37	14%	0.143	S	C	.	.			trans	-95.2	147.4	178.6	-58	-59.7	-174.3	170.3	0	110.6	H234 G289 Q292 D299 T300	H234-K294 PolarHBondContact CE1-O 3.31Å; H234-K294 VanDerWaalsContact CE1-O 3.29Å; G289-K294 CarbonylContact C-O 3.43Å; G289-K294 PolarHBondContact O-N 2.64Å; Q292-K294 VanDerWaalsContact C-N 3.26Å; Q292-K294 HydrophobicContact CB-CG 3.98Å; Q292-K294 PolarHBondContact O-N 3.48Å; K294-D299 HydrophobicContact CB-CB 4.22Å; K294-D299 HydrophobicContact CD-CB 3.93Å; K294-D299 VanDerWaalsContact CE-O 3.29Å; K294-D299 WeakPolarHBondContact CE-O 3.45Å; K294-D299 HydrophobicContact CG-CB 4.15Å; K294-T300 HydrophobicContact CB-CG2 4.23Å; K294-T300 HydrophobicContact CG-CG2 4.19Å
295	R	88.5	Confident	94.5	Very high	168 Å²	168	30.1 Å²	30.1	63%	0.634	16%	0.159	S	C	*	.	S	Bend	trans	-92.8	-20.7	175.4	-69.1	-172.3	174.4	-161.6	-3.3	113.1
296	S	91.6	Very high	94.5	Very high	13 Å²	13	30 Å²	30	9%	0.091	16%	0.159	C	C	.	.	S	Bend	trans	-118.9	134.4	177.5	158.1	0	0	0	0	108.3	Y298 D299	S296-Y298 PolarHBondContact O-N 3.03Å; S296-Y298 WeakPolarHBondContact OG-CB 3.37Å; S296-Y298 PolarHBondContact OG-N 3.29Å; S296-D299 WeakPolarHBondContact CB-OD2 3.06Å; S296-D299 PolarHBondContact O-N 2.99Å; S296-D299 VanDerWaalsContact O-N 3.11Å; S296-D299 PolarHBondContact OG-OD1 3.45Å
297	N	93.9	Very high	94.6	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.027	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-60.8	-30.2	175.4	-65.3	-6	0	0	0	110.7	G132 T133 H135 E285 D299 T300 F303	G132-N297 WeakPolarHBondContact O-CB 3.41Å; G132-N297 PolarHBondContact O-N 3.24Å; T133-N297 PolarHBondContact O-ND2 2.98Å; H135-N297 VanDerWaalsContact NE2-CB 3.29Å; H135-N297 WeakPolarHBondContact NE2-CB 3.3Å; H135-N297 PolarHBondContact NE2-ND2 2.94Å; E285-N297 HydrophobicContact CB-CB 4.27Å; E285-N297 PolarHBondContact O-OD1 3.1Å; N297-D299 PolarHBondContact O-N 3.05Å; N297-T300 WeakPolarHBondContact O-CB 3.47Å; N297-T300 WeakPolarHBondContact O-CG2 3.34Å; N297-T300 PolarHBondContact O-N 3.48Å; N297-T300 PolarHBondContact O-OG1 3.5Å; N297-F303 HydrophobicContact CB-CE2 4.43Å; N297-F303 WeakPolarHBondContact O-CD2 3.46Å
298	Y	94.9	Very high	94.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-68.5	-15.9	178.9	-58.1	-86.6	0	0	0	113.5	H134 H135 S296 T300 F303 L307 R336 D340	H134-Y298 PolarHBondContact O-OH 2.8Å; H135-Y298 AromaticContact CE1-CE1 3.89Å; H135-Y298 AromaticContact CE1-CE2 3.84Å; H135-Y298 AromaticContact CE1-CZ 3.55Å; H135-Y298 AromaticContact ND1-CZ 3.69Å; H135-Y298 PolarHBondContact ND1-OH 3.48Å; S296-Y298 PolarHBondContact O-N 3.03Å; S296-Y298 WeakPolarHBondContact OG-CB 3.37Å; S296-Y298 PolarHBondContact OG-N 3.29Å; Y298-T300 VanDerWaalsContact C-N 3.26Å; Y298-T300 PolarHBondContact O-N 2.91Å; Y298-F303 AromaticContact CD1-CD1 3.84Å; Y298-F303 HydrophobicContact CD1-CD1 3.84Å; Y298-F303 AromaticContact CD1-CE1 3.99Å; Y298-F303 HydrophobicContact CD1-CE1 3.99Å; Y298-F303 HydrophobicContact CD1-CG 4.12Å; Y298-F303 HydrophobicContact CD1-CZ 4.38Å; Y298-F303 HydrophobicContact CE1-CD1 4.29Å; Y298-F303 HydrophobicContact CE1-CE1 4.01Å; Y298-F303 HydrophobicContact CE1-CZ 4.37Å; Y298-F303 WeakPolarHBondContact O-CB 3.2Å; Y298-L307 VanDerWaalsContact O-CD1 3.24Å; Y298-L307 WeakPolarHBondContact O-CD1 3.28Å; Y298-R336 HydrophobicContact CD1-CB 3.9Å; Y298-R336 HydrophobicContact CD1-CG 3.76Å; Y298-R336 HydrophobicContact CD2-CB 4.35Å; Y298-R336 VanDerWaalsContact CD2-CD 3.44Å; Y298-R336 HydrophobicContact CD2-CG 3.75Å; Y298-R336 HydrophobicContact CE1-CB 3.71Å; Y298-R336 HydrophobicContact CE1-CG 4.04Å; Y298-R336 WeakPolarHBondContact CE1-O 3.28Å; Y298-R336 HydrophobicContact CE2-CB 4.21Å; Y298-R336 HydrophobicContact CE2-CG 4.06Å; Y298-R336 HydrophobicContact CG-CB 4.22Å; Y298-R336 HydrophobicContact CG-CG 3.59Å; Y298-D340 HydrophobicContact CE1-CB 4.27Å
299	D	94.6	Very high	94.6	Very high	47 Å²	47	33.2 Å²	33.2	25%	0.251	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-90.2	8.6	-179.6	-53.5	-11.9	0	0	0	112.4	K294 S296 N297 Y319	K294-D299 HydrophobicContact CB-CB 4.22Å; K294-D299 HydrophobicContact CD-CB 3.93Å; K294-D299 VanDerWaalsContact CE-O 3.29Å; K294-D299 WeakPolarHBondContact CE-O 3.45Å; K294-D299 HydrophobicContact CG-CB 4.15Å; S296-D299 WeakPolarHBondContact CB-OD2 3.06Å; S296-D299 PolarHBondContact O-N 2.99Å; S296-D299 VanDerWaalsContact O-N 3.11Å; S296-D299 PolarHBondContact OG-OD1 3.45Å; N297-D299 PolarHBondContact O-N 3.05Å; D299-Y319 WeakPolarHBondContact OD1-CE1 3.47Å
300	T	95.5	Very high	94.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.182	C	C	.	.	S	Bend	trans	-98.1	166.7	-177.9	68.6	0	0	0	0	112	V288 K294 N297 Y298 L302 F303 T304	V288-T300 HydrophobicContact CG1-CG2 3.96Å; K294-T300 HydrophobicContact CB-CG2 4.23Å; K294-T300 HydrophobicContact CG-CG2 4.19Å; N297-T300 WeakPolarHBondContact O-CB 3.47Å; N297-T300 WeakPolarHBondContact O-CG2 3.34Å; N297-T300 PolarHBondContact O-N 3.48Å; N297-T300 PolarHBondContact O-OG1 3.5Å; Y298-T300 VanDerWaalsContact C-N 3.26Å; Y298-T300 PolarHBondContact O-N 2.91Å; T300-L302 PolarHBondContact O-N 3.39Å; T300-L302 PolarHBondContact OG1-N 3.35Å; T300-F303 PolarHBondContact O-N 2.97Å; T300-T304 WeakPolarHBondContact O-CG2 3.17Å; T300-T304 PolarHBondContact O-N 3.49Å; T300-T304 PolarHBondContact O-OG1 2.67Å
301	D	94.4	Very high	94.9	Very high	53 Å²	53	36.8 Å²	36.8	28%	0.283	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-11.1	174.7	68.5	-30	0	0	0	114.5	P45 A46 Q292 F303	P45-D301 WeakPolarHBondContact CA-OD2 3.44Å; P45-D301 WeakPolarHBondContact CB-OD2 3.46Å; A46-D301 WeakPolarHBondContact CB-OD1 3.31Å; A46-D301 PolarHBondContact N-OD1 3.35Å; A46-D301 PolarHBondContact N-OD2 3.07Å; Q292-D301 VanDerWaalsContact NE2-CG 3.29Å; Q292-D301 PolarHBondContact NE2-OD1 3.37Å; D301-F303 VanDerWaalsContact C-N 3.33Å
302	L	94.1	Very high	94.9	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-24	170.6	-69.7	170	0	0	0	113.4	A46 E285 V288 T300	A46-L302 HydrophobicContact CB-CD1 4.15Å; A46-L302 HydrophobicContact CB-CD2 3.44Å; A46-L302 VanDerWaalsContact CB-CD2 3.44Å; A46-L302 HydrophobicContact CB-CG 3.58Å; E285-L302 HydrophobicContact CB-CD1 4.39Å; E285-L302 HydrophobicContact CG-CD1 3.97Å; V288-L302 HydrophobicContact CB-CD1 4.22Å; V288-L302 HydrophobicContact CG1-CD1 4.34Å; V288-L302 HydrophobicContact CG2-CD1 4.24Å; T300-L302 PolarHBondContact O-N 3.39Å; T300-L302 PolarHBondContact OG1-N 3.35Å
303	F	96.6	Very high	94.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-27.7	-172.4	-69	-87	0	0	0	113.9	H135 E285 N297 Y298 T300 D301 P305 L306 L307 A339 R343	H135-F303 AromaticContact CE1-CE2 3.64Å; H135-F303 AromaticContact CE1-CZ 3.27Å; H135-F303 WeakPolarHBondContact CE1-CZ 3.24Å; H135-F303 AromaticContact ND1-CZ 3.54Å; H135-F303 AromaticContact NE2-CZ 3.97Å; E285-F303 HydrophobicContact CG-CE2 4.11Å; E285-F303 HydrophobicContact CG-CZ 4.46Å; N297-F303 HydrophobicContact CB-CE2 4.43Å; N297-F303 WeakPolarHBondContact O-CD2 3.46Å; Y298-F303 AromaticContact CD1-CD1 3.84Å; Y298-F303 HydrophobicContact CD1-CD1 3.84Å; Y298-F303 AromaticContact CD1-CE1 3.99Å; Y298-F303 HydrophobicContact CD1-CE1 3.99Å; Y298-F303 HydrophobicContact CD1-CG 4.12Å; Y298-F303 HydrophobicContact CD1-CZ 4.38Å; Y298-F303 HydrophobicContact CE1-CD1 4.29Å; Y298-F303 HydrophobicContact CE1-CE1 4.01Å; Y298-F303 HydrophobicContact CE1-CZ 4.37Å; Y298-F303 WeakPolarHBondContact O-CB 3.2Å; T300-F303 PolarHBondContact O-N 2.97Å; D301-F303 VanDerWaalsContact C-N 3.33Å; F303-P305 VanDerWaalsContact C-CD 3.42Å; F303-P305 VanDerWaalsContact C-N 3.33Å; F303-L306 WeakPolarHBondContact O-CA 3.06Å; F303-L306 WeakPolarHBondContact O-CB 3.26Å; F303-L306 PolarHBondContact O-N 3.43Å; F303-L307 HydrophobicContact CB-CD1 4.47Å; F303-L307 WeakPolarHBondContact O-CG 3.16Å; F303-L307 PolarHBondContact O-N 2.82Å; F303-A339 HydrophobicContact CD1-CB 4.16Å; F303-R343 VanDerWaalsContact CE2-NH1 3.27Å
304	T	95.4	Very high	94.8	Very high	54 Å²	54	46.7 Å²	46.7	33%	0.331	23%	0.225	S	C	.	.	H	α-helix	trans	-53.3	-40.5	-178.3	50.2	0	0	0	0	113.9	T300 L306 L307 D308	T300-T304 WeakPolarHBondContact O-CG2 3.17Å; T300-T304 PolarHBondContact O-N 3.49Å; T300-T304 PolarHBondContact O-OG1 2.67Å; T304-L306 VanDerWaalsContact C-N 3.3Å; T304-L306 PolarHBondContact O-N 3.32Å; T304-L307 PolarHBondContact O-N 2.91Å; T304-D308 PolarHBondContact O-N 3.31Å
305	P	96.7	Very high	94.8	Very high	52 Å²	52	51.6 Å²	51.6	34%	0.338	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-33.7	176	-21.1	34.9	0	0	0	113.3	F303 A309 T392	F303-P305 VanDerWaalsContact C-CD 3.42Å; F303-P305 VanDerWaalsContact C-N 3.33Å; P305-A309 WeakPolarHBondContact O-CB 3.48Å; P305-A309 PolarHBondContact O-N 3.3Å; P305-A309 VanDerWaalsContact O-N 3.08Å; P305-T392 HydrophobicContact CB-CG2 3.98Å
306	L	96.7	Very high	95	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72.4	-41.3	176.5	-76.5	166.9	0	0	0	111.4	F303 T304 D308 A309 I310 A339 I342 R343 L389 T392 V393	F303-L306 WeakPolarHBondContact O-CA 3.06Å; F303-L306 WeakPolarHBondContact O-CB 3.26Å; F303-L306 PolarHBondContact O-N 3.43Å; T304-L306 VanDerWaalsContact C-N 3.3Å; T304-L306 PolarHBondContact O-N 3.32Å; L306-D308 VanDerWaalsContact C-N 3.31Å; L306-D308 PolarHBondContact O-N 3.45Å; L306-A309 PolarHBondContact O-N 3.35Å; L306-I310 WeakPolarHBondContact O-CD1 3.42Å; L306-I310 WeakPolarHBondContact O-CG1 3.43Å; L306-I310 PolarHBondContact O-N 3.29Å; L306-A339 HydrophobicContact CB-CB 4.24Å; L306-I342 HydrophobicContact CD2-CG2 4.15Å; L306-R343 HydrophobicContact CD1-CG 3.74Å; L306-L389 HydrophobicContact CD2-CB 4.49Å; L306-T392 HydrophobicContact CD2-CG2 3.7Å; L306-T392 HydrophobicContact CG-CG2 3.96Å; L306-V393 HydrophobicContact CD1-CG2 4.29Å; L306-V393 HydrophobicContact CD2-CG2 3.72Å
307	L	97.3	Very high	94.9	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-41.8	176.7	-63.7	174.3	0	0	0	111.2	Y298 F303 T304 I310 H311 Y319 Y335 A339	Y298-L307 VanDerWaalsContact O-CD1 3.24Å; Y298-L307 WeakPolarHBondContact O-CD1 3.28Å; F303-L307 HydrophobicContact CB-CD1 4.47Å; F303-L307 WeakPolarHBondContact O-CG 3.16Å; F303-L307 PolarHBondContact O-N 2.82Å; T304-L307 PolarHBondContact O-N 2.91Å; L307-I310 PolarHBondContact O-N 3.15Å; L307-H311 PolarHBondContact O-N 3.14Å; L307-Y319 HydrophobicContact CD1-CD1 3.72Å; L307-Y319 HydrophobicContact CD1-CE1 3.91Å; L307-Y319 HydrophobicContact CD1-CG 4.12Å; L307-Y319 HydrophobicContact CD2-CD2 4.39Å; L307-Y319 HydrophobicContact CD2-CG 4.39Å; L307-Y335 HydrophobicContact CD2-CD1 4.09Å; L307-Y335 HydrophobicContact CD2-CG 4.41Å; L307-A339 HydrophobicContact CD2-CB 4.1Å
308	D	96.9	Very high	94.9	Very high	98 Å²	98	50.5 Å²	50.5	52%	0.524	26%	0.263	S	S	.	.	H	α-helix	trans	-64.3	-43.8	174.7	-69.5	-21.2	0	0	0	111.9	T304 L306 I310 H311 Q312	T304-D308 PolarHBondContact O-N 3.31Å; L306-D308 VanDerWaalsContact C-N 3.31Å; L306-D308 PolarHBondContact O-N 3.45Å; D308-I310 VanDerWaalsContact C-N 3.33Å; D308-I310 PolarHBondContact O-N 3.15Å; D308-H311 WeakPolarHBondContact O-CB 3.5Å; D308-H311 PolarHBondContact O-N 3.35Å; D308-Q312 WeakPolarHBondContact O-CG 3.49Å; D308-Q312 PolarHBondContact O-N 3.43Å
309	A	97.1	Very high	94.9	Very high	14 Å²	14	52.7 Å²	52.7	12%	0.116	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-37.1	176.6	0	0	0	0	0	112.5	P305 L306 L389 T392	P305-A309 WeakPolarHBondContact O-CB 3.48Å; P305-A309 PolarHBondContact O-N 3.3Å; P305-A309 VanDerWaalsContact O-N 3.08Å; L306-A309 PolarHBondContact O-N 3.35Å; A309-L389 HydrophobicContact CB-CD2 3.68Å; A309-T392 HydrophobicContact CB-CG2 4.42Å
310	I	97.4	Very high	94.7	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-45.7	172.5	-68.2	161.5	0	0	0	109.7	L306 L307 D308 Q312 R313 S314 Y335 V338 A339 L379 L389	L306-I310 WeakPolarHBondContact O-CD1 3.42Å; L306-I310 WeakPolarHBondContact O-CG1 3.43Å; L306-I310 PolarHBondContact O-N 3.29Å; L307-I310 PolarHBondContact O-N 3.15Å; D308-I310 VanDerWaalsContact C-N 3.33Å; D308-I310 PolarHBondContact O-N 3.15Å; I310-Q312 VanDerWaalsContact C-N 3.33Å; I310-Q312 PolarHBondContact O-N 3.01Å; I310-R313 PolarHBondContact O-N 2.83Å; I310-R313 VanDerWaalsContact O-N 3.08Å; I310-S314 WeakPolarHBondContact O-CB 3.48Å; I310-S314 PolarHBondContact O-N 3.28Å; I310-Y335 HydrophobicContact CB-CD1 3.88Å; I310-Y335 HydrophobicContact CB-CE1 3.85Å; I310-Y335 HydrophobicContact CD1-CD1 4.43Å; I310-Y335 HydrophobicContact CG2-CD1 3.49Å; I310-Y335 VanDerWaalsContact CG2-CD1 3.49Å; I310-Y335 HydrophobicContact CG2-CE1 3.45Å; I310-Y335 VanDerWaalsContact CG2-CE1 3.45Å; I310-Y335 HydrophobicContact CG2-CG 4.39Å; I310-V338 HydrophobicContact CD1-CB 4.03Å; I310-V338 HydrophobicContact CD1-CG1 3.76Å; I310-V338 HydrophobicContact CG1-CG1 3.97Å; I310-A339 HydrophobicContact CD1-CB 3.86Å; I310-L379 HydrophobicContact CG2-CD1 3.6Å; I310-L389 HydrophobicContact CD1-CD1 4.37Å; I310-L389 HydrophobicContact CG1-CD1 3.67Å; I310-L389 HydrophobicContact CG1-CD2 3.92Å; I310-L389 HydrophobicContact CG1-CG 4.47Å
311	H	96.6	Very high	94.3	Very high	72 Å²	72	53.9 Å²	53.9	33%	0.333	30%	0.295	S	S	.	.	H	α-helix	trans	-58	-45.8	-179.1	179.2	50.5	0	0	0	111.6	L307 D308 R313 S314 Y335	L307-H311 PolarHBondContact O-N 3.14Å; D308-H311 WeakPolarHBondContact O-CB 3.5Å; D308-H311 PolarHBondContact O-N 3.35Å; H311-R313 PolarHBondContact O-N 2.85Å; H311-S314 PolarHBondContact O-N 2.75Å; H311-S314 VanDerWaalsContact O-N 3.11Å; H311-S314 PolarHBondContact O-OG 2.69Å; H311-Y335 WeakPolarHBondContact CA-OH 3.27Å; H311-Y335 HydrophobicContact CB-CE1 4.07Å; H311-Y335 PolarHBondContact ND1-OH 2.93Å
312	Q	95.4	Very high	94.1	Very high	152 Å²	152	56.5 Å²	56.5	71%	0.71	30%	0.301	S	S	*	.	H	α-helix	trans	-58.5	-21.2	178.3	-70.3	173.5	16.1	0	0	114.5	D308 I310	D308-Q312 WeakPolarHBondContact O-CG 3.49Å; D308-Q312 PolarHBondContact O-N 3.43Å; I310-Q312 VanDerWaalsContact C-N 3.33Å; I310-Q312 PolarHBondContact O-N 3.01Å
313	R	92.8	Very high	93.6	Very high	133 Å²	133	59.7 Å²	59.7	50%	0.502	32%	0.317	S	S	.	.	H	α-helix	trans	-105.6	-19.2	179.5	-60.5	-62.3	-170.4	-165.8	-2.6	113.1	I310 H311 P382	I310-R313 PolarHBondContact O-N 2.83Å; I310-R313 VanDerWaalsContact O-N 3.08Å; H311-R313 PolarHBondContact O-N 2.85Å; R313-P382 VanDerWaalsContact O-CD 3.3Å; R313-P382 WeakPolarHBondContact O-CD 3.44Å
314	S	93	Very high	92.6	Very high	17 Å²	17	62.9 Å²	62.9	12%	0.119	35%	0.35	C	S	.	.			trans	-77.3	163	179.8	79.3	0	0	0	0	111.8	I310 H311 Y335	I310-S314 WeakPolarHBondContact O-CB 3.48Å; I310-S314 PolarHBondContact O-N 3.28Å; H311-S314 PolarHBondContact O-N 2.75Å; H311-S314 VanDerWaalsContact O-N 3.11Å; H311-S314 PolarHBondContact O-OG 2.69Å; S314-Y335 PolarHBondContact OG-OH 3.39Å
315	R	91.7	Very high	91.6	Very high	188 Å²	188	65.7 Å²	65.7	71%	0.709	38%	0.378	S	S	*	.	S	Bend	trans	-110.4	21.6	170.8	-58.1	178.8	179.3	-174.6	-1	112.1	L379 Q380	R315-L379 PolarHBondContact N-O 3.28Å; R315-Q380 HydrophobicContact CB-CB 4.07Å; R315-Q380 WeakPolarHBondContact CD-O 3.01Å; R315-Q380 WeakPolarHBondContact CG-O 3.48Å
316	V	92.1	Very high	90.5	Very high	30 Å²	30	65.1 Å²	65.1	18%	0.182	38%	0.378	C	S	.	.	S	Bend	trans	-117.7	170.4	-178.6	-61.8	0	0	0	0	110.4	V331 Y335 L379	V316-V331 HydrophobicContact CB-CG1 4.25Å; V316-V331 HydrophobicContact CG2-CG1 3.77Å; V316-Y335 HydrophobicContact CG2-CE2 4.16Å; V316-L379 HydrophobicContact CG2-CD2 3.77Å
317	G	90.6	Very high	89.3	Confident	44 Å²	44	70.2 Å²	70.2	45%	0.454	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-60.6	167	176.9	0	0	0	0	0	113.6	Y335	G317-Y335 WeakPolarHBondContact O-CE2 3.32Å; G317-Y335 PolarHBondContact O-OH 2.93Å
318	P	93.1	Very high	88.4	Confident	89 Å²	89	74.5 Å²	74.5	58%	0.578	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-67.5	159.3	177.8	30.7	-36.2	0	0	0	111.7	G320	P318-G320 PolarHBondContact O-N 3.49Å
319	Y	94.3	Very high	87.8	Confident	47 Å²	47	70.2 Å²	70.2	18%	0.184	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-58.8	127.9	175.9	179.5	-106.2	0	0	0	111.7	D299 L307 D332 Y335 R336	D299-Y319 WeakPolarHBondContact OD1-CE1 3.47Å; L307-Y319 HydrophobicContact CD1-CD1 3.72Å; L307-Y319 HydrophobicContact CD1-CE1 3.91Å; L307-Y319 HydrophobicContact CD1-CG 4.12Å; L307-Y319 HydrophobicContact CD2-CD2 4.39Å; L307-Y319 HydrophobicContact CD2-CG 4.39Å; Y319-D332 WeakPolarHBondContact CA-OD1 3.45Å; Y319-D332 HydrophobicContact CD2-CB 3.93Å; Y319-D332 WeakPolarHBondContact CD2-OD1 3.27Å; Y319-D332 HydrophobicContact CE2-CB 3.75Å; Y319-Y335 HydrophobicContact CD2-CD2 4.22Å; Y319-Y335 AromaticContact CD2-CG 3.96Å; Y319-Y335 HydrophobicContact CD2-CG 3.96Å; Y319-R336 HydrophobicContact CE2-CG 3.95Å; Y319-R336 PolarHBondContact OH-NH1 2.88Å
320	G	90.4	Very high	87.3	Confident	41 Å²	41	74.5 Å²	74.5	42%	0.423	43%	0.43	S	S	.	.			trans	-111.5	-1.7	-175.8	0	0	0	0	0	115.7	P318 R322 D332	P318-G320 PolarHBondContact O-N 3.49Å; G320-R322 VanDerWaalsContact C-N 3.29Å; G320-R322 PolarHBondContact O-N 3.01Å; G320-D332 VanDerWaalsContact C-OD2 3.25Å; G320-D332 WeakPolarHBondContact CA-OD2 3.4Å; G320-D332 PolarHBondContact N-OD1 3.5Å; G320-D332 PolarHBondContact N-OD2 3.05Å
321	G	88.8	Confident	87.1	Confident	32 Å²	32	75.5 Å²	75.5	33%	0.33	44%	0.436	S	S	.	.			trans	70.2	17.1	-179.2	0	0	0	0	0	115.4	D332	G321-D332 PolarHBondContact N-OD2 2.8Å
322	R	88.6	Confident	86.9	Confident	108 Å²	108	72.3 Å²	72.3	41%	0.408	42%	0.421	S	S	.	.			trans	-83	147.2	-173.9	-54.8	169.1	-160.9	164.6	9.5	111.6	G320 A326 P327 D328 A329 D332 R336	G320-R322 VanDerWaalsContact C-N 3.29Å; G320-R322 PolarHBondContact O-N 3.01Å; R322-A326 HydrophobicContact CB-CB 4.41Å; R322-P327 WeakPolarHBondContact CD-O 3.29Å; R322-P327 PolarHBondContact NH1-O 2.96Å; R322-D328 IonicContact NH1-OD2 3.49Å; R322-D328 PolarHBondContact NH1-OD2 2.85Å; R322-A329 HydrophobicContact CB-CB 4.46Å; R322-D332 WeakPolarHBondContact CA-OD2 3.24Å; R322-D332 VanDerWaalsContact CB-OD2 3.25Å; R322-D332 WeakPolarHBondContact CB-OD2 3.24Å; R322-D332 WeakPolarHBondContact CG-OD2 3.22Å; R322-D332 PolarHBondContact N-OD2 3.04Å; R322-R336 PolarHBondContact O-NH1 2.88Å; R322-R336 PolarHBondContact O-NH2 3.27Å
323	M	83.8	Confident	86.8	Confident	70 Å²	70	67 Å²	67	35%	0.345	40%	0.395	S	S	.	.			trans	-133.7	161.1	-173.6	-56.9	-59.4	-74.5	0	0	111.4	R130 A326 R336	R130-M323 WeakPolarHBondContact O-CE 3.48Å; M323-A326 WeakPolarHBondContact O-CB 3.49Å; M323-R336 PolarHBondContact SD-NH1 3.33Å; M323-R336 PolarHBondContact SD-NH2 2.86Å
324	G	76.9	Confident	86.8	Confident	67 Å²	67	60.7 Å²	60.7	69%	0.691	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	-141.7	174.3	0	0	0	0	0	113.8	A326 A329	G324-A326 PolarHBondContact O-N 2.86Å; G324-A329 VanDerWaalsContact O-CB 3.23Å; G324-A329 WeakPolarHBondContact O-CB 3.35Å
325	A	72.4	Confident	87	Confident	113 Å²	113	59.9 Å²	59.9	93%	0.934	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	13.5	-178	0	0	0	0	0	113.9
326	A	75.6	Confident	87.2	Confident	40 Å²	40	51.1 Å²	51.1	33%	0.331	33%	0.332	S	S	.	.	S	Bend	trans	-66	150	-179.3	0	0	0	0	0	111.9	R322 M323 G324 D328 A329	R322-A326 HydrophobicContact CB-CB 4.41Å; M323-A326 WeakPolarHBondContact O-CB 3.49Å; G324-A326 PolarHBondContact O-N 2.86Å; A326-D328 PolarHBondContact O-N 2.88Å; A326-A329 HydrophobicContact CB-CB 4.24Å; A326-A329 WeakPolarHBondContact O-CB 3.46Å; A326-A329 PolarHBondContact O-N 3.18Å
327	P	70	Confident	87.3	Confident	107 Å²	107	49.7 Å²	49.7	70%	0.695	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	134	171.5	-24.4	33.7	0	0	0	111.7	R322 A329	R322-P327 WeakPolarHBondContact CD-O 3.29Å; R322-P327 PolarHBondContact NH1-O 2.96Å; P327-A329 PolarHBondContact O-N 2.83Å
328	D	79.4	Confident	87.6	Confident	97 Å²	97	47.6 Å²	47.6	52%	0.519	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	8.1	-173.6	-45.1	-42.9	0	0	0	116.3	R322 A326 Q330 V331 D332	R322-D328 IonicContact NH1-OD2 3.49Å; R322-D328 PolarHBondContact NH1-OD2 2.85Å; A326-D328 PolarHBondContact O-N 2.88Å; D328-Q330 PolarHBondContact O-N 2.98Å; D328-Q330 VanDerWaalsContact O-N 3.1Å; D328-V331 HydrophobicContact CB-CB 4.46Å; D328-V331 WeakPolarHBondContact O-CB 3.26Å; D328-V331 PolarHBondContact O-N 2.87Å; D328-D332 PolarHBondContact O-N 2.89Å
329	A	83	Confident	87.9	Confident	7 Å²	7	43.4 Å²	43.4	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-25.8	176.1	0	0	0	0	0	112.9	R322 G324 A326 P327 R333	R322-A329 HydrophobicContact CB-CB 4.46Å; G324-A329 VanDerWaalsContact O-CB 3.23Å; G324-A329 WeakPolarHBondContact O-CB 3.35Å; A326-A329 HydrophobicContact CB-CB 4.24Å; A326-A329 WeakPolarHBondContact O-CB 3.46Å; A326-A329 PolarHBondContact O-N 3.18Å; P327-A329 PolarHBondContact O-N 2.83Å; A329-R333 VanDerWaalsContact O-CB 3.31Å; A329-R333 WeakPolarHBondContact O-CB 3.42Å; A329-R333 PolarHBondContact O-N 3.41Å
330	Q	87.6	Confident	88	Confident	105 Å²	105	41.1 Å²	41.1	49%	0.491	27%	0.266	S	S	.	.	H	α-helix	trans	-67.4	-36	173.2	-169.7	179.2	16.2	0	0	112.4	D328 A334 V378	D328-Q330 PolarHBondContact O-N 2.98Å; D328-Q330 VanDerWaalsContact O-N 3.1Å; Q330-A334 PolarHBondContact O-N 2.89Å; Q330-V378 HydrophobicContact CG-CG1 4.28Å
331	V	92.4	Very high	88.3	Confident	27 Å²	27	39.2 Å²	39.2	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-67.9	-48.7	175.5	172.6	0	0	0	0	109.4	V316 D328 R333 A334 Y335 V378 L379	V316-V331 HydrophobicContact CB-CG1 4.25Å; V316-V331 HydrophobicContact CG2-CG1 3.77Å; D328-V331 HydrophobicContact CB-CB 4.46Å; D328-V331 WeakPolarHBondContact O-CB 3.26Å; D328-V331 PolarHBondContact O-N 2.87Å; V331-R333 VanDerWaalsContact C-N 3.28Å; V331-R333 PolarHBondContact O-N 3.21Å; V331-A334 WeakPolarHBondContact O-CA 3.18Å; V331-A334 VanDerWaalsContact O-CB 3.29Å; V331-A334 WeakPolarHBondContact O-CB 3.42Å; V331-A334 PolarHBondContact O-N 3.2Å; V331-Y335 HydrophobicContact CG1-CD2 3.83Å; V331-Y335 HydrophobicContact CG1-CE2 3.6Å; V331-Y335 VanDerWaalsContact O-CD2 3.3Å; V331-Y335 WeakPolarHBondContact O-CD2 3.47Å; V331-Y335 PolarHBondContact O-N 3.06Å; V331-V378 HydrophobicContact CG2-CG1 4.42Å; V331-L379 HydrophobicContact CG1-CD2 4.33Å
332	D	93.7	Very high	88.7	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-34.3	178.1	-74.5	-14.4	0	0	0	112.5	Y319 G320 G321 R322 D328 A334 Y335 R336	Y319-D332 WeakPolarHBondContact CA-OD1 3.45Å; Y319-D332 HydrophobicContact CD2-CB 3.93Å; Y319-D332 WeakPolarHBondContact CD2-OD1 3.27Å; Y319-D332 HydrophobicContact CE2-CB 3.75Å; G320-D332 VanDerWaalsContact C-OD2 3.25Å; G320-D332 WeakPolarHBondContact CA-OD2 3.4Å; G320-D332 PolarHBondContact N-OD1 3.5Å; G320-D332 PolarHBondContact N-OD2 3.05Å; G321-D332 PolarHBondContact N-OD2 2.8Å; R322-D332 WeakPolarHBondContact CA-OD2 3.24Å; R322-D332 VanDerWaalsContact CB-OD2 3.25Å; R322-D332 WeakPolarHBondContact CB-OD2 3.24Å; R322-D332 WeakPolarHBondContact CG-OD2 3.22Å; R322-D332 PolarHBondContact N-OD2 3.04Å; D328-D332 PolarHBondContact O-N 2.89Å; D332-A334 VanDerWaalsContact C-N 3.35Å; D332-Y335 WeakPolarHBondContact O-CB 3.1Å; D332-Y335 PolarHBondContact O-N 2.94Å; D332-R336 WeakPolarHBondContact O-CG 3.34Å; D332-R336 PolarHBondContact O-N 2.83Å
333	R	92.4	Very high	89.2	Confident	42 Å²	42	32.6 Å²	32.6	16%	0.158	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-43.8	169.3	174.4	172.3	-177	-156.7	1.3	111.7	G129 A329 V331 R336 V337	G129-R333 WeakPolarHBondContact O-CG 3.31Å; A329-R333 VanDerWaalsContact O-CB 3.31Å; A329-R333 WeakPolarHBondContact O-CB 3.42Å; A329-R333 PolarHBondContact O-N 3.41Å; V331-R333 VanDerWaalsContact C-N 3.28Å; V331-R333 PolarHBondContact O-N 3.21Å; R333-R336 VanDerWaalsContact CA-NH2 3.33Å; R333-R336 PolarHBondContact O-N 2.83Å; R333-V337 HydrophobicContact CG-CG2 4.3Å; R333-V337 VanDerWaalsContact O-CG2 3.3Å; R333-V337 WeakPolarHBondContact O-CG2 3.46Å; R333-V337 PolarHBondContact O-N 3.1Å
334	A	93.3	Very high	89.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-43	178.3	0	0	0	0	0	111.8	Q330 V331 D332 V337 V338 F374 V378 L379	Q330-A334 PolarHBondContact O-N 2.89Å; V331-A334 WeakPolarHBondContact O-CA 3.18Å; V331-A334 VanDerWaalsContact O-CB 3.29Å; V331-A334 WeakPolarHBondContact O-CB 3.42Å; V331-A334 PolarHBondContact O-N 3.2Å; D332-A334 VanDerWaalsContact C-N 3.35Å; A334-V337 PolarHBondContact O-N 2.9Å; A334-V338 WeakPolarHBondContact O-CB 3.41Å; A334-V338 VanDerWaalsContact O-CG2 3.27Å; A334-V338 WeakPolarHBondContact O-CG2 3.31Å; A334-V338 PolarHBondContact O-N 3.11Å; A334-F374 HydrophobicContact CB-CB 4.07Å; A334-F374 HydrophobicContact CB-CD1 3.47Å; A334-F374 VanDerWaalsContact CB-CD1 3.47Å; A334-F374 HydrophobicContact CB-CE1 4.27Å; A334-F374 HydrophobicContact CB-CG 4.1Å; A334-V378 HydrophobicContact CB-CB 3.92Å; A334-V378 HydrophobicContact CB-CG1 3.66Å; A334-L379 HydrophobicContact CB-CD1 4.33Å; A334-L379 HydrophobicContact CB-CD2 3.83Å; A334-L379 HydrophobicContact CB-CG 3.83Å
335	Y	96.7	Very high	90.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-55	-51.4	172.5	-87.1	-81.3	0	0	0	112	L307 I310 H311 S314 V316 G317 Y319 V331 D332 V338 A339 L379	L307-Y335 HydrophobicContact CD2-CD1 4.09Å; L307-Y335 HydrophobicContact CD2-CG 4.41Å; I310-Y335 HydrophobicContact CB-CD1 3.88Å; I310-Y335 HydrophobicContact CB-CE1 3.85Å; I310-Y335 HydrophobicContact CD1-CD1 4.43Å; I310-Y335 HydrophobicContact CG2-CD1 3.49Å; I310-Y335 VanDerWaalsContact CG2-CD1 3.49Å; I310-Y335 HydrophobicContact CG2-CE1 3.45Å; I310-Y335 VanDerWaalsContact CG2-CE1 3.45Å; I310-Y335 HydrophobicContact CG2-CG 4.39Å; H311-Y335 WeakPolarHBondContact CA-OH 3.27Å; H311-Y335 HydrophobicContact CB-CE1 4.07Å; H311-Y335 PolarHBondContact ND1-OH 2.93Å; S314-Y335 PolarHBondContact OG-OH 3.39Å; V316-Y335 HydrophobicContact CG2-CE2 4.16Å; G317-Y335 WeakPolarHBondContact O-CE2 3.32Å; G317-Y335 PolarHBondContact O-OH 2.93Å; Y319-Y335 HydrophobicContact CD2-CD2 4.22Å; Y319-Y335 AromaticContact CD2-CG 3.96Å; Y319-Y335 HydrophobicContact CD2-CG 3.96Å; V331-Y335 HydrophobicContact CG1-CD2 3.83Å; V331-Y335 HydrophobicContact CG1-CE2 3.6Å; V331-Y335 VanDerWaalsContact O-CD2 3.3Å; V331-Y335 WeakPolarHBondContact O-CD2 3.47Å; V331-Y335 PolarHBondContact O-N 3.06Å; D332-Y335 WeakPolarHBondContact O-CB 3.1Å; D332-Y335 PolarHBondContact O-N 2.94Å; Y335-V338 PolarHBondContact O-N 3.02Å; Y335-A339 VanDerWaalsContact O-CB 3.3Å; Y335-A339 WeakPolarHBondContact O-CB 3.26Å; Y335-A339 PolarHBondContact O-N 3.38Å; Y335-L379 HydrophobicContact CD2-CD2 3.85Å; Y335-L379 HydrophobicContact CE2-CD2 3.82Å; Y335-L379 HydrophobicContact CG-CD2 4.35Å
336	R	96	Very high	91.9	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-59.7	-48.2	178.7	-70.5	-173.4	-67.9	-86.9	-1.9	112.3	G129 Y298 Y319 R322 M323 D332 R333 A339 D340	G129-R336 PolarHBondContact O-NE 3.32Å; G129-R336 VanDerWaalsContact O-NE 3.12Å; G129-R336 PolarHBondContact O-NH2 3.47Å; Y298-R336 HydrophobicContact CD1-CB 3.9Å; Y298-R336 HydrophobicContact CD1-CG 3.76Å; Y298-R336 HydrophobicContact CD2-CB 4.35Å; Y298-R336 VanDerWaalsContact CD2-CD 3.44Å; Y298-R336 HydrophobicContact CD2-CG 3.75Å; Y298-R336 HydrophobicContact CE1-CB 3.71Å; Y298-R336 HydrophobicContact CE1-CG 4.04Å; Y298-R336 WeakPolarHBondContact CE1-O 3.28Å; Y298-R336 HydrophobicContact CE2-CB 4.21Å; Y298-R336 HydrophobicContact CE2-CG 4.06Å; Y298-R336 HydrophobicContact CG-CB 4.22Å; Y298-R336 HydrophobicContact CG-CG 3.59Å; Y319-R336 HydrophobicContact CE2-CG 3.95Å; Y319-R336 PolarHBondContact OH-NH1 2.88Å; R322-R336 PolarHBondContact O-NH1 2.88Å; R322-R336 PolarHBondContact O-NH2 3.27Å; M323-R336 PolarHBondContact SD-NH1 3.33Å; M323-R336 PolarHBondContact SD-NH2 2.86Å; D332-R336 WeakPolarHBondContact O-CG 3.34Å; D332-R336 PolarHBondContact O-N 2.83Å; R333-R336 VanDerWaalsContact CA-NH2 3.33Å; R333-R336 PolarHBondContact O-N 2.83Å; R336-A339 PolarHBondContact O-N 3.43Å; R336-D340 WeakPolarHBondContact O-CB 3.47Å; R336-D340 PolarHBondContact O-N 2.76Å
337	V	94.9	Very high	92.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-46.1	-179.9	173.4	0	0	0	0	111.3	V128 R333 A334 H341 R370 F374	V128-V337 HydrophobicContact CG1-CG2 4.49Å; V128-V337 WeakPolarHBondContact O-CG2 3.21Å; R333-V337 HydrophobicContact CG-CG2 4.3Å; R333-V337 VanDerWaalsContact O-CG2 3.3Å; R333-V337 WeakPolarHBondContact O-CG2 3.46Å; R333-V337 PolarHBondContact O-N 3.1Å; A334-V337 PolarHBondContact O-N 2.9Å; V337-H341 WeakPolarHBondContact O-CB 3.37Å; V337-H341 PolarHBondContact O-N 2.86Å; V337-H341 PolarHBondContact O-ND1 3.45Å; V337-R370 HydrophobicContact CG1-CG 4Å; V337-F374 HydrophobicContact CB-CD2 3.96Å; V337-F374 HydrophobicContact CB-CE2 4.15Å; V337-F374 HydrophobicContact CG1-CD2 3.51Å; V337-F374 HydrophobicContact CG1-CE2 3.78Å; V337-F374 HydrophobicContact CG1-CG 4.4Å; V337-F374 HydrophobicContact CG2-CD2 4.34Å; V337-F374 HydrophobicContact CG2-CE2 4.02Å; V337-F374 HydrophobicContact CG2-CZ 4.4Å
338	V	97.1	Very high	94	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.1	-43.3	-178.8	172.2	0	0	0	0	110.9	I310 A334 Y335 I342 F374 L379 L386 L389	I310-V338 HydrophobicContact CD1-CB 4.03Å; I310-V338 HydrophobicContact CD1-CG1 3.76Å; I310-V338 HydrophobicContact CG1-CG1 3.97Å; A334-V338 WeakPolarHBondContact O-CB 3.41Å; A334-V338 VanDerWaalsContact O-CG2 3.27Å; A334-V338 WeakPolarHBondContact O-CG2 3.31Å; A334-V338 PolarHBondContact O-N 3.11Å; Y335-V338 PolarHBondContact O-N 3.02Å; V338-I342 VanDerWaalsContact O-CG2 3.27Å; V338-I342 WeakPolarHBondContact O-CG2 3.35Å; V338-I342 PolarHBondContact O-N 2.98Å; V338-F374 HydrophobicContact CG2-CB 3.83Å; V338-L379 HydrophobicContact CB-CD1 4.49Å; V338-L379 HydrophobicContact CG2-CD1 3.95Å; V338-L386 HydrophobicContact CG1-CD1 4.11Å; V338-L389 HydrophobicContact CG1-CD1 3.72Å
339	A	97.6	Very high	94.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.5	-41.6	179.3	0	0	0	0	0	112.9	F303 L306 L307 I310 Y335 R336 I342	F303-A339 HydrophobicContact CD1-CB 4.16Å; L306-A339 HydrophobicContact CB-CB 4.24Å; L307-A339 HydrophobicContact CD2-CB 4.1Å; I310-A339 HydrophobicContact CD1-CB 3.86Å; Y335-A339 VanDerWaalsContact O-CB 3.3Å; Y335-A339 WeakPolarHBondContact O-CB 3.26Å; Y335-A339 PolarHBondContact O-N 3.38Å; R336-A339 PolarHBondContact O-N 3.43Å; A339-I342 WeakPolarHBondContact O-CG2 3.36Å
340	D	97.3	Very high	94.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-65.5	-54	174	172.4	85.2	0	0	0	111.3	V128 H135 T136 Y298 R336 I342 R343 T344	V128-D340 HydrophobicContact CG1-CB 3.8Å; V128-D340 WeakPolarHBondContact CG1-OD2 3.41Å; H135-D340 WeakPolarHBondContact CA-OD1 3.23Å; H135-D340 VanDerWaalsContact CB-OD1 3.27Å; H135-D340 WeakPolarHBondContact CB-OD1 3.46Å; H135-D340 IonicContact CG-OD1 2.71Å; H135-D340 IonicContact ND1-OD1 3.5Å; T136-D340 WeakPolarHBondContact CB-OD2 3.22Å; T136-D340 PolarHBondContact N-OD1 3.49Å; T136-D340 PolarHBondContact N-OD2 3.26Å; T136-D340 PolarHBondContact OG1-OD2 3.48Å; Y298-D340 HydrophobicContact CE1-CB 4.27Å; R336-D340 WeakPolarHBondContact O-CB 3.47Å; R336-D340 PolarHBondContact O-N 2.76Å; D340-I342 VanDerWaalsContact C-N 3.33Å; D340-I342 PolarHBondContact O-N 3.17Å; D340-R343 WeakPolarHBondContact O-CB 3.49Å; D340-R343 PolarHBondContact O-N 3.08Å; D340-R343 VanDerWaalsContact O-N 3.09Å; D340-T344 PolarHBondContact O-N 3.42Å; D340-T344 VanDerWaalsContact O-N 3.14Å; D340-T344 PolarHBondContact O-OG1 3.23Å
341	H	96.8	Very high	94.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-66.9	-32.2	-171.3	-73.2	12.2	0	0	0	112.9	V337 R343 T344 L345 I367 R370 A371	V337-H341 WeakPolarHBondContact O-CB 3.37Å; V337-H341 PolarHBondContact O-N 2.86Å; V337-H341 PolarHBondContact O-ND1 3.45Å; H341-R343 VanDerWaalsContact C-N 3.35Å; H341-T344 PolarHBondContact O-N 3.43Å; H341-L345 WeakPolarHBondContact O-CB 3.45Å; H341-L345 WeakPolarHBondContact O-CD1 3.44Å; H341-L345 WeakPolarHBondContact O-CG 3.28Å; H341-L345 PolarHBondContact O-N 3.28Å; H341-I367 HydrophobicContact CB-CG2 3.63Å; H341-I367 PolarHBondContact CD2-O 3.43Å; H341-R370 WeakPolarHBondContact NE2-CD 3.3Å; H341-A371 HydrophobicContact CB-CB 3.81Å
342	I	97.9	Very high	94.1	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-66.3	-37.1	174.6	-171	62.5	0	0	0	112.2	L306 V338 A339 D340 L345 A346 L386 L389 V390 V393 I415	L306-I342 HydrophobicContact CD2-CG2 4.15Å; V338-I342 VanDerWaalsContact O-CG2 3.27Å; V338-I342 WeakPolarHBondContact O-CG2 3.35Å; V338-I342 PolarHBondContact O-N 2.98Å; A339-I342 WeakPolarHBondContact O-CG2 3.36Å; D340-I342 VanDerWaalsContact C-N 3.33Å; D340-I342 PolarHBondContact O-N 3.17Å; I342-L345 PolarHBondContact O-N 3.42Å; I342-A346 WeakPolarHBondContact O-CB 3.39Å; I342-A346 PolarHBondContact O-N 3.35Å; I342-L386 HydrophobicContact CB-CD1 4.03Å; I342-L386 HydrophobicContact CD1-CD1 3.92Å; I342-L386 HydrophobicContact CD1-CG 4.09Å; I342-L386 WeakPolarHBondContact CD1-O 3.45Å; I342-L386 HydrophobicContact CG1-CD1 4.36Å; I342-L389 HydrophobicContact CG1-CB 3.9Å; I342-L389 HydrophobicContact CG2-CB 4.43Å; I342-L389 HydrophobicContact CG2-CD1 4.32Å; I342-V390 HydrophobicContact CD1-CG2 4.07Å; I342-V393 HydrophobicContact CB-CG2 4.47Å; I342-V393 HydrophobicContact CG1-CG2 3.92Å; I342-V393 HydrophobicContact CG2-CG2 3.89Å; I342-I415 HydrophobicContact CD1-CD1 3.63Å
343	R	97.6	Very high	93.6	Very high	2 Å²	2	4.9 Å²	4.9	1%	0.008	3%	0.027	C	C	.	.	H	α-helix	trans	-60.8	-47.6	173.4	-70.7	176	57.2	-176.4	-7.9	110.3	F137 E285 F303 L306 D340 H341 L345 A346 V347 V393 L397	F137-R343 HydrophobicContact CD1-CB 3.8Å; F137-R343 HydrophobicContact CE1-CB 4.37Å; E285-R343 IonicContact OE1-CZ 3.18Å; E285-R343 IonicContact OE1-NH1 2.79Å; E285-R343 IonicContact OE1-NH2 3.6Å; E285-R343 PolarHBondContact OE1-NH2 3.09Å; F303-R343 VanDerWaalsContact CE2-NH1 3.27Å; L306-R343 HydrophobicContact CD1-CG 3.74Å; D340-R343 WeakPolarHBondContact O-CB 3.49Å; D340-R343 PolarHBondContact O-N 3.08Å; D340-R343 VanDerWaalsContact O-N 3.09Å; H341-R343 VanDerWaalsContact C-N 3.35Å; R343-L345 PolarHBondContact O-N 3.34Å; R343-A346 PolarHBondContact O-N 2.83Å; R343-V347 WeakPolarHBondContact O-CG2 3.37Å; R343-V347 PolarHBondContact O-N 3.21Å; R343-V393 HydrophobicContact CG-CG1 4.32Å; R343-V393 HydrophobicContact CG-CG2 4.25Å; R343-L397 HydrophobicContact CG-CD1 4.42Å
344	T	97.3	Very high	93	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-61.4	-44.1	178.1	-49.6	0	0	0	0	112.7	V116 T136 F137 D340 H341 C348 I367	V116-T344 HydrophobicContact CG1-CG2 4.21Å; V116-T344 HydrophobicContact CG2-CG2 4.35Å; T136-T344 WeakPolarHBondContact OG1-CB 3.42Å; T136-T344 PolarHBondContact OG1-OG1 3.07Å; F137-T344 HydrophobicContact CB-CG2 4.12Å; F137-T344 WeakPolarHBondContact CB-OG1 3.44Å; F137-T344 PolarHBondContact N-OG1 3.03Å; D340-T344 PolarHBondContact O-N 3.42Å; D340-T344 VanDerWaalsContact O-N 3.14Å; D340-T344 PolarHBondContact O-OG1 3.23Å; H341-T344 PolarHBondContact O-N 3.43Å; T344-C348 VanDerWaalsContact O-CB 3.25Å; T344-C348 WeakPolarHBondContact O-CB 3.49Å; T344-C348 PolarHBondContact O-N 3.18Å; T344-C348 PolarHBondContact O-SG 3.28Å; T344-I367 HydrophobicContact CG2-CD1 3.82Å
345	L	96.8	Very high	92.4	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-62.4	-47.5	177.5	-71.1	164.2	0	0	0	111.4	H341 I342 R343 I349 L364 I367 L368 L386 I415	H341-L345 WeakPolarHBondContact O-CB 3.45Å; H341-L345 WeakPolarHBondContact O-CD1 3.44Å; H341-L345 WeakPolarHBondContact O-CG 3.28Å; H341-L345 PolarHBondContact O-N 3.28Å; I342-L345 PolarHBondContact O-N 3.42Å; R343-L345 PolarHBondContact O-N 3.34Å; L345-I349 VanDerWaalsContact O-CB 3.31Å; L345-I349 WeakPolarHBondContact O-CB 3.46Å; L345-I349 WeakPolarHBondContact O-CD1 3.39Å; L345-I349 WeakPolarHBondContact O-CG1 3.46Å; L345-I349 PolarHBondContact O-N 3.42Å; L345-L364 HydrophobicContact CD2-CD1 3.71Å; L345-L364 HydrophobicContact CD2-CG 3.92Å; L345-I367 HydrophobicContact CD2-CG2 4.32Å; L345-I367 HydrophobicContact CG-CG2 4.13Å; L345-L368 HydrophobicContact CD1-CB 4.2Å; L345-L368 HydrophobicContact CD1-CG 4.4Å; L345-L368 HydrophobicContact CD2-CB 3.71Å; L345-L368 HydrophobicContact CD2-CD1 4.29Å; L345-L368 HydrophobicContact CD2-CG 4.4Å; L345-L386 HydrophobicContact CD1-CD2 4.11Å; L345-I415 HydrophobicContact CB-CD1 4.19Å
346	A	96.8	Very high	90.9	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.008	2%	0.024	C	C	.	.	H	α-helix	trans	-62.2	-47.3	-178.9	0	0	0	0	0	111.7	I342 R343 I349 A350 V393 L404 I411	I342-A346 WeakPolarHBondContact O-CB 3.39Å; I342-A346 PolarHBondContact O-N 3.35Å; R343-A346 PolarHBondContact O-N 2.83Å; A346-I349 PolarHBondContact O-N 2.98Å; A346-A350 VanDerWaalsContact O-CB 3.28Å; A346-A350 WeakPolarHBondContact O-CB 3.37Å; A346-A350 PolarHBondContact O-N 3.44Å; A346-V393 HydrophobicContact CB-CB 4.41Å; A346-V393 HydrophobicContact CB-CG1 3.8Å; A346-L404 HydrophobicContact CB-CD2 4.07Å; A346-I411 HydrophobicContact CB-CG2 4.11Å
347	V	95.8	Very high	88.9	Confident	0 Å²	0	9 Å²	9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.8	-48.7	179	170.8	0	0	0	0	111.5	V71 R114 F137 R343 I349 A350 D351 L397 L404	V71-V347 HydrophobicContact CG1-CG1 3.67Å; R114-V347 HydrophobicContact CB-CG1 4.48Å; R114-V347 HydrophobicContact CG-CG1 4.43Å; F137-V347 HydrophobicContact CD1-CG2 4.45Å; F137-V347 HydrophobicContact CD2-CB 4.41Å; F137-V347 HydrophobicContact CD2-CG1 4.22Å; F137-V347 HydrophobicContact CD2-CG2 4.37Å; F137-V347 HydrophobicContact CE1-CG2 3.99Å; F137-V347 HydrophobicContact CE2-CB 4.29Å; F137-V347 HydrophobicContact CE2-CG1 3.91Å; F137-V347 HydrophobicContact CE2-CG2 3.95Å; F137-V347 HydrophobicContact CZ-CG1 4.49Å; F137-V347 HydrophobicContact CZ-CG2 3.74Å; R343-V347 WeakPolarHBondContact O-CG2 3.37Å; R343-V347 PolarHBondContact O-N 3.21Å; V347-I349 PolarHBondContact O-N 2.94Å; V347-A350 PolarHBondContact O-N 2.77Å; V347-D351 PolarHBondContact O-N 3.2Å; V347-L397 HydrophobicContact CG2-CD1 4.2Å; V347-L404 HydrophobicContact CG2-CD1 4.39Å; V347-L404 HydrophobicContact CG2-CD2 4.3Å
348	C	93.5	Very high	87.1	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.5	-42.7	179	-74.7	0	0	0	0	112.6	V71 T344 D351 G352 V353 L364	V71-C348 HydrophobicContact CG2-CB 4.42Å; T344-C348 VanDerWaalsContact O-CB 3.25Å; T344-C348 WeakPolarHBondContact O-CB 3.49Å; T344-C348 PolarHBondContact O-N 3.18Å; T344-C348 PolarHBondContact O-SG 3.28Å; C348-D351 CarbonylContact O-C 3.57Å; C348-D351 PolarHBondContact O-N 3.22Å; C348-G352 PolarHBondContact O-N 2.94Å; C348-G352 VanDerWaalsContact O-N 3.17Å; C348-V353 CarbonylContact C-O 3.43Å; C348-V353 HydrophobicContact CB-CB 4.22Å; C348-V353 WeakPolarHBondContact O-CA 3.3Å; C348-V353 WeakPolarHBondContact O-CB 3.21Å; C348-V353 PolarHBondContact O-N 3.45Å; C348-L364 HydrophobicContact CB-CD1 3.56Å; C348-L364 HydrophobicContact CB-CD2 3.66Å; C348-L364 HydrophobicContact CB-CG 4.27Å
349	I	89.2	Confident	85.7	Confident	3 Å²	3	14.5 Å²	14.5	2%	0.015	10%	0.096	C	C	.	.	H	α-helix	trans	-69.5	-38.9	-179.6	-65.9	165.9	0	0	0	111.1	L345 A346 V347 D351 G352 V353 L364 I411 I414 I415	L345-I349 VanDerWaalsContact O-CB 3.31Å; L345-I349 WeakPolarHBondContact O-CB 3.46Å; L345-I349 WeakPolarHBondContact O-CD1 3.39Å; L345-I349 WeakPolarHBondContact O-CG1 3.46Å; L345-I349 PolarHBondContact O-N 3.42Å; A346-I349 PolarHBondContact O-N 2.98Å; V347-I349 PolarHBondContact O-N 2.94Å; I349-D351 VanDerWaalsContact C-N 3.28Å; I349-D351 PolarHBondContact O-N 2.78Å; I349-G352 PolarHBondContact O-N 2.9Å; I349-V353 WeakPolarHBondContact CA-O 3.33Å; I349-L364 HydrophobicContact CG1-CD2 4.25Å; I349-I411 HydrophobicContact CB-CG1 4.11Å; I349-I411 HydrophobicContact CB-CG2 4.47Å; I349-I411 HydrophobicContact CD1-CG2 4.34Å; I349-I411 HydrophobicContact CG2-CB 4.28Å; I349-I411 HydrophobicContact CG2-CG1 3.75Å; I349-I414 HydrophobicContact CD1-CB 4.41Å; I349-I414 HydrophobicContact CD1-CG2 3.9Å; I349-I414 HydrophobicContact CG1-CG2 4.44Å; I349-I414 HydrophobicContact CG2-CD1 3.66Å; I349-I415 HydrophobicContact CD1-CD1 4.36Å; I349-I415 HydrophobicContact CD1-CG1 3.88Å
350	A	89.9	Confident	84.8	Confident	18 Å²	18	15.8 Å²	15.8	15%	0.149	11%	0.105	C	C	.	.	H	α-helix	trans	-59.4	-40.7	173.4	0	0	0	0	0	111.7	A346 V347 G352 E403 L404 I411	A346-A350 VanDerWaalsContact O-CB 3.28Å; A346-A350 WeakPolarHBondContact O-CB 3.37Å; A346-A350 PolarHBondContact O-N 3.44Å; V347-A350 PolarHBondContact O-N 2.77Å; A350-G352 PolarHBondContact O-N 2.69Å; A350-E403 HydrophobicContact CB-CB 4.49Å; A350-E403 HydrophobicContact CB-CG 4.2Å; A350-L404 HydrophobicContact CB-CD2 3.9Å; A350-I411 HydrophobicContact CB-CD1 4.1Å
351	D	87.8	Confident	83.8	Confident	19 Å²	19	17.5 Å²	17.5	10%	0.102	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	6.1	176.3	-69.6	-8.2	0	0	0	113.2	P70 V71 R114 V347 C348 I349	P70-D351 VanDerWaalsContact CA-OD2 3.32Å; P70-D351 WeakPolarHBondContact CA-OD2 3.38Å; P70-D351 HydrophobicContact CB-CB 4.07Å; V71-D351 HydrophobicContact CG2-CB 3.94Å; V71-D351 PolarHBondContact N-OD2 2.8Å; R114-D351 IonicContact CZ-OD1 2.74Å; R114-D351 IonicContact CZ-OD2 3.09Å; R114-D351 IonicContact NH1-OD1 2.88Å; R114-D351 PolarHBondContact NH1-OD1 2.84Å; R114-D351 VanDerWaalsContact NH1-OD1 3.12Å; R114-D351 IonicContact NH1-OD2 3.99Å; V347-D351 PolarHBondContact O-N 3.2Å; C348-D351 CarbonylContact O-C 3.57Å; C348-D351 PolarHBondContact O-N 3.22Å; I349-D351 VanDerWaalsContact C-N 3.28Å; I349-D351 PolarHBondContact O-N 2.78Å
352	G	78.7	Confident	82.7	Confident	8 Å²	8	19.4 Å²	19.4	8%	0.082	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	12.1	171.9	0	0	0	0	0	116.1	C348 I349 A350 R661	C348-G352 PolarHBondContact O-N 2.94Å; C348-G352 VanDerWaalsContact O-N 3.17Å; I349-G352 PolarHBondContact O-N 2.9Å; A350-G352 PolarHBondContact O-N 2.69Å; G352-R661 VanDerWaalsContact CA-NH2 3.29Å
353	V	82.5	Confident	81.9	Confident	6 Å²	6	20 Å²	20	4%	0.036	13%	0.127	C	C	.	.			trans	-87.9	122.1	169.2	-173.2	0	0	0	0	108.7	R72 F81 C348 I349 L364	R72-V353 HydrophobicContact CB-CG2 4.14Å; F81-V353 HydrophobicContact CE1-CG1 4.11Å; C348-V353 CarbonylContact C-O 3.43Å; C348-V353 HydrophobicContact CB-CB 4.22Å; C348-V353 WeakPolarHBondContact O-CA 3.3Å; C348-V353 WeakPolarHBondContact O-CB 3.21Å; C348-V353 PolarHBondContact O-N 3.45Å; I349-V353 WeakPolarHBondContact CA-O 3.33Å; V353-L364 HydrophobicContact CB-CD2 4.37Å; V353-L364 HydrophobicContact CG1-CD2 4.04Å; V353-L364 WeakPolarHBondContact O-CD2 3.5Å
354	H	80.7	Confident	81.3	Confident	3 Å²	3	20 Å²	20	1%	0.014	13%	0.127	C	C	.	.			trans	-114.7	151.1	-175.8	-58.6	-53.3	0	0	0	111.3	G356 E361	H354-G356 PolarHBondContact O-N 2.96Å; H354-E361 VanDerWaalsContact O-CA 3.32Å; H354-E361 WeakPolarHBondContact O-CA 3.43Å; H354-E361 WeakPolarHBondContact O-CB 3.24Å; H354-E361 VanDerWaalsContact O-CG 3.31Å; H354-E361 WeakPolarHBondContact O-CG 3.34Å
355	P	78.9	Confident	80.5	Confident	5 Å²	5	22.5 Å²	22.5	3%	0.032	14%	0.136	C	C	.	.	S	Bend	trans	-58.3	124.4	174	-25.8	35.4	0	0	0	112.2	L364 R365 L368	P355-L364 HydrophobicContact CG-CD2 4.34Å; P355-L364 HydrophobicContact CG-CG 4.39Å; P355-R365 HydrophobicContact CB-CB 3.97Å; P355-R365 HydrophobicContact CB-CG 4.32Å; P355-L368 HydrophobicContact CG-CD1 3.99Å
356	G	65.5	Low	79.7	Confident	5 Å²	5	26.4 Å²	26.4	5%	0.052	15%	0.151	C	C	.	.			trans	-150.8	-156.7	-171.1	0	0	0	0	0	114.6	H354 E361 R365	H354-G356 PolarHBondContact O-N 2.96Å; G356-E361 PolarHBondContact N-O 2.98Å; G356-R365 WeakPolarHBondContact O-CD 3.29Å
357	M	54.8	Low	79.4	Confident	120 Å²	120	26.3 Å²	26.3	59%	0.591	15%	0.151	S	C	*	.	S	Bend	trans	-108.1	-14.4	-168.5	-63.9	-63.4	-61.5	0	0	114.5	R365	M357-R365 PolarHBondContact SD-NH1 3.26Å
358	S	55.8	Low	79.1	Confident	74 Å²	74	26.4 Å²	26.4	52%	0.517	15%	0.151	S	C	.	.	S	Bend	trans	-146.2	156.1	-174.8	52.8	0	0	0	0	112.6	E361 L362	S358-E361 WeakPolarHBondContact O-CB 3.44Å; S358-E361 PolarHBondContact O-N 3.3Å; S358-L362 PolarHBondContact O-N 3.04Å
359	G	69.7	Low	78.8	Confident	40 Å²	40	27 Å²	27	41%	0.412	15%	0.153	S	C	.	.	H	α-helix	trans	59.4	-140.8	174.9	0	0	0	0	0	113.5	E361 L362 V363	G359-E361 VanDerWaalsContact C-N 3.25Å; G359-E361 PolarHBondContact O-N 3.22Å; G359-L362 WeakPolarHBondContact O-CB 3.4Å; G359-L362 PolarHBondContact O-N 2.99Å; G359-L362 VanDerWaalsContact O-N 3.16Å; G359-V363 PolarHBondContact O-N 2.89Å
360	S	78.5	Confident	78.7	Confident	28 Å²	28	27.5 Å²	27.5	20%	0.196	16%	0.155	C	C	.	.	H	α-helix	trans	-59.9	-34.6	179.2	50.9	0	0	0	0	112.8	L80 F81 L362 V363 L364	L80-S360 WeakPolarHBondContact O-CB 3.27Å; F81-S360 WeakPolarHBondContact CZ-O 3.43Å; S360-L362 VanDerWaalsContact C-N 3.31Å; S360-L362 PolarHBondContact O-N 2.92Å; S360-V363 WeakPolarHBondContact O-CB 3.13Å; S360-V363 PolarHBondContact O-N 3.08Å; S360-L364 PolarHBondContact O-N 3.2Å
361	E	76.3	Confident	78.8	Confident	36 Å²	36	26.6 Å²	26.6	17%	0.168	15%	0.148	C	C	.	.	H	α-helix	trans	-63.3	-36.3	177.1	-56.3	-176.6	167.4	0	0	112.5	H354 G356 S358 G359 R365 V774	H354-E361 VanDerWaalsContact O-CA 3.32Å; H354-E361 WeakPolarHBondContact O-CA 3.43Å; H354-E361 WeakPolarHBondContact O-CB 3.24Å; H354-E361 VanDerWaalsContact O-CG 3.31Å; H354-E361 WeakPolarHBondContact O-CG 3.34Å; G356-E361 PolarHBondContact N-O 2.98Å; S358-E361 WeakPolarHBondContact O-CB 3.44Å; S358-E361 PolarHBondContact O-N 3.3Å; G359-E361 VanDerWaalsContact C-N 3.25Å; G359-E361 PolarHBondContact O-N 3.22Å; E361-R365 WeakPolarHBondContact O-CB 2.87Å; E361-R365 PolarHBondContact O-N 3.26Å; E361-V774 VanDerWaalsContact OE2-CG1 3.32Å; E361-V774 WeakPolarHBondContact OE2-CG1 3.38Å
362	L	72.3	Confident	79	Confident	40 Å²	40	25.7 Å²	25.7	21%	0.209	14%	0.143	C	C	.	.	H	α-helix	trans	-66.8	-42.5	175.8	-179.7	62.1	0	0	0	110.9	S358 G359 S360 R365 R366	S358-L362 PolarHBondContact O-N 3.04Å; G359-L362 WeakPolarHBondContact O-CB 3.4Å; G359-L362 PolarHBondContact O-N 2.99Å; G359-L362 VanDerWaalsContact O-N 3.16Å; S360-L362 VanDerWaalsContact C-N 3.31Å; S360-L362 PolarHBondContact O-N 2.92Å; L362-R365 WeakPolarHBondContact O-CB 3.32Å; L362-R365 PolarHBondContact O-N 2.76Å; L362-R366 WeakPolarHBondContact O-CG 3.32Å; L362-R366 PolarHBondContact O-N 2.9Å; L362-R366 VanDerWaalsContact O-N 3.1Å
363	V	82	Confident	79.5	Confident	13 Å²	13	25.5 Å²	25.5	8%	0.079	14%	0.14	C	C	.	.	H	α-helix	trans	-60.5	-48.8	176	179.7	0	0	0	0	110.1	L80 F81 A118 G359 S360 R365 R366 I367	L80-V363 HydrophobicContact CD1-CG2 4.05Å; F81-V363 HydrophobicContact CE2-CB 3.92Å; F81-V363 HydrophobicContact CE2-CG1 3.97Å; F81-V363 HydrophobicContact CE2-CG2 4.36Å; F81-V363 HydrophobicContact CZ-CB 4.39Å; A118-V363 HydrophobicContact CB-CG1 3.58Å; A118-V363 WeakPolarHBondContact O-CG1 3.34Å; G359-V363 PolarHBondContact O-N 2.89Å; S360-V363 WeakPolarHBondContact O-CB 3.13Å; S360-V363 PolarHBondContact O-N 3.08Å; V363-R365 PolarHBondContact O-N 3.22Å; V363-R366 WeakPolarHBondContact O-CA 3.22Å; V363-R366 WeakPolarHBondContact O-CB 3.23Å; V363-R366 PolarHBondContact O-N 3.22Å; V363-I367 HydrophobicContact CG1-CD1 4.24Å; V363-I367 PolarHBondContact O-N 3.31Å
364	L	85.1	Confident	79.9	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-36.3	-179.9	-165.5	63.9	0	0	0	112	L345 C348 I349 V353 P355 S360 R366 I367 L368	L345-L364 HydrophobicContact CD2-CD1 3.71Å; L345-L364 HydrophobicContact CD2-CG 3.92Å; C348-L364 HydrophobicContact CB-CD1 3.56Å; C348-L364 HydrophobicContact CB-CD2 3.66Å; C348-L364 HydrophobicContact CB-CG 4.27Å; I349-L364 HydrophobicContact CG1-CD2 4.25Å; V353-L364 HydrophobicContact CB-CD2 4.37Å; V353-L364 HydrophobicContact CG1-CD2 4.04Å; V353-L364 WeakPolarHBondContact O-CD2 3.5Å; P355-L364 HydrophobicContact CG-CD2 4.34Å; P355-L364 HydrophobicContact CG-CG 4.39Å; S360-L364 PolarHBondContact O-N 3.2Å; L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.43Å; L364-I367 PolarHBondContact O-N 3.43Å; L364-L368 PolarHBondContact O-N 2.99Å
365	R	79.7	Confident	80.5	Confident	53 Å²	53	25.4 Å²	25.4	20%	0.2	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-35.2	172.4	-170.6	177.5	-173.8	-156.3	11	112.9	P355 G356 M357 E361 L362 V363 R369	P355-R365 HydrophobicContact CB-CB 3.97Å; P355-R365 HydrophobicContact CB-CG 4.32Å; G356-R365 WeakPolarHBondContact O-CD 3.29Å; M357-R365 PolarHBondContact SD-NH1 3.26Å; E361-R365 WeakPolarHBondContact O-CB 2.87Å; E361-R365 PolarHBondContact O-N 3.26Å; L362-R365 WeakPolarHBondContact O-CB 3.32Å; L362-R365 PolarHBondContact O-N 2.76Å; V363-R365 PolarHBondContact O-N 3.22Å; R365-R369 VanDerWaalsContact CZ-CZ 3.49Å; R365-R369 WeakPolarHBondContact O-CB 3.38Å; R365-R369 WeakPolarHBondContact O-CD 3.32Å; R365-R369 WeakPolarHBondContact O-CG 3.33Å; R365-R369 PolarHBondContact O-N 2.93Å
366	R	80.9	Confident	81	Confident	82 Å²	82	27.1 Å²	27.1	31%	0.309	15%	0.154	S	C	.	.	H	α-helix	trans	-66.5	-46.9	174.6	-64.5	179.8	-172.5	-177.7	-2.4	111	L362 V363 L364 L368 R369 R370 P460	L362-R366 WeakPolarHBondContact O-CG 3.32Å; L362-R366 PolarHBondContact O-N 2.9Å; L362-R366 VanDerWaalsContact O-N 3.1Å; V363-R366 WeakPolarHBondContact O-CA 3.22Å; V363-R366 WeakPolarHBondContact O-CB 3.23Å; V363-R366 PolarHBondContact O-N 3.22Å; L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.43Å; R366-L368 PolarHBondContact O-N 3.02Å; R366-R369 PolarHBondContact O-N 3.24Å; R366-R370 WeakPolarHBondContact O-CB 3.24Å; R366-R370 PolarHBondContact O-N 3.37Å; R366-P460 HydrophobicContact CG-CB 4.2Å; R366-P460 HydrophobicContact CG-CG 4.47Å
367	I	89.7	Confident	82.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.5	-49.9	176	-65.6	176.2	0	0	0	110.7	A118 L125 H341 T344 L345 V363 L364 R369 R370 A371	A118-I367 HydrophobicContact CB-CD1 3.81Å; L125-I367 HydrophobicContact CD1-CG1 3.95Å; H341-I367 HydrophobicContact CB-CG2 3.63Å; H341-I367 PolarHBondContact CD2-O 3.43Å; T344-I367 HydrophobicContact CG2-CD1 3.82Å; L345-I367 HydrophobicContact CD2-CG2 4.32Å; L345-I367 HydrophobicContact CG-CG2 4.13Å; V363-I367 HydrophobicContact CG1-CD1 4.24Å; V363-I367 PolarHBondContact O-N 3.31Å; L364-I367 PolarHBondContact O-N 3.43Å; I367-R369 VanDerWaalsContact C-N 3.34Å; I367-R369 PolarHBondContact O-N 3.3Å; I367-R370 PolarHBondContact O-N 3.28Å; I367-A371 PolarHBondContact O-N 3.17Å
368	L	90.1	Very high	83.8	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-55.3	-49.2	177.6	-174.4	147.5	0	0	0	111.9	L345 P355 L364 R366 R370 A371 V372 N418	L345-L368 HydrophobicContact CD1-CB 4.2Å; L345-L368 HydrophobicContact CD1-CG 4.4Å; L345-L368 HydrophobicContact CD2-CB 3.71Å; L345-L368 HydrophobicContact CD2-CD1 4.29Å; L345-L368 HydrophobicContact CD2-CG 4.4Å; P355-L368 HydrophobicContact CG-CD1 3.99Å; L364-L368 PolarHBondContact O-N 2.99Å; R366-L368 PolarHBondContact O-N 3.02Å; L368-R370 PolarHBondContact O-N 3.01Å; L368-A371 PolarHBondContact O-N 3.25Å; L368-V372 HydrophobicContact CD2-CG2 3.88Å; L368-V372 HydrophobicContact CG-CG2 4.44Å; L368-V372 VanDerWaalsContact O-CG2 3.31Å; L368-V372 WeakPolarHBondContact O-CG2 3.34Å; L368-V372 PolarHBondContact O-N 3.43Å; L368-N418 HydrophobicContact CD1-CB 3.54Å; L368-N418 HydrophobicContact CD2-CB 3.9Å; L368-N418 HydrophobicContact CG-CB 4.41Å
369	R	86.3	Confident	85.6	Confident	12 Å²	12	22.7 Å²	22.7	5%	0.045	12%	0.124	C	C	.	.	H	α-helix	trans	-67.5	-38.7	-175.7	-71.3	171.5	166.3	178.4	-25.2	112.5	R365 R366 I367 V372 R373 F422 G458 P460	R365-R369 VanDerWaalsContact CZ-CZ 3.49Å; R365-R369 WeakPolarHBondContact O-CB 3.38Å; R365-R369 WeakPolarHBondContact O-CD 3.32Å; R365-R369 WeakPolarHBondContact O-CG 3.33Å; R365-R369 PolarHBondContact O-N 2.93Å; R366-R369 PolarHBondContact O-N 3.24Å; I367-R369 VanDerWaalsContact C-N 3.34Å; I367-R369 PolarHBondContact O-N 3.3Å; R369-V372 PolarHBondContact O-N 3.05Å; R369-R373 WeakPolarHBondContact O-CB 3.43Å; R369-R373 PolarHBondContact O-N 3.19Å; R369-F422 HydrophobicContact CB-CD1 4.08Å; R369-F422 HydrophobicContact CB-CD2 4.14Å; R369-F422 HydrophobicContact CB-CE1 3.83Å; R369-F422 HydrophobicContact CB-CE2 3.9Å; R369-F422 HydrophobicContact CB-CG 4.23Å; R369-F422 HydrophobicContact CB-CZ 3.73Å; R369-F422 HydrophobicContact CG-CB 4.21Å; R369-F422 HydrophobicContact CG-CD1 3.93Å; R369-F422 HydrophobicContact CG-CD2 3.56Å; R369-F422 HydrophobicContact CG-CE1 4.16Å; R369-F422 HydrophobicContact CG-CE2 3.81Å; R369-F422 HydrophobicContact CG-CG 3.62Å; R369-F422 HydrophobicContact CG-CZ 4.1Å; R369-F422 VanDerWaalsContact O-CE1 3.22Å; R369-F422 WeakPolarHBondContact O-CE1 3.41Å; R369-G458 PolarHBondContact NH1-O 2.83Å; R369-G458 PolarHBondContact NH2-O 3.47Å; R369-P460 HydrophobicContact CB-CG 4.36Å
370	R	87.5	Confident	86.7	Confident	13 Å²	13	26 Å²	26	5%	0.049	13%	0.128	C	C	.	.	H	α-helix	trans	-60.6	-47.4	173.7	178.9	169.1	168.3	174.8	-7.7	110.7	L125 V128 V337 H341 R366 I367 L368 R373 F374	L125-R370 VanDerWaalsContact O-CZ 3.23Å; L125-R370 PolarHBondContact O-NH1 3.39Å; L125-R370 PolarHBondContact O-NH2 3.48Å; L125-R370 VanDerWaalsContact O-NH2 3.14Å; V128-R370 PolarHBondContact O-NH2 2.95Å; V337-R370 HydrophobicContact CG1-CG 4Å; H341-R370 WeakPolarHBondContact NE2-CD 3.3Å; R366-R370 WeakPolarHBondContact O-CB 3.24Å; R366-R370 PolarHBondContact O-N 3.37Å; I367-R370 PolarHBondContact O-N 3.28Å; L368-R370 PolarHBondContact O-N 3.01Å; R370-R373 PolarHBondContact O-N 2.84Å; R370-F374 HydrophobicContact CG-CD2 4.02Å; R370-F374 HydrophobicContact CG-CE2 3.89Å; R370-F374 VanDerWaalsContact O-CD2 3.29Å; R370-F374 WeakPolarHBondContact O-CD2 3.44Å; R370-F374 PolarHBondContact O-N 2.93Å; R370-F374 VanDerWaalsContact O-N 3.15Å
371	A	92.8	Very high	87.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-48.8	176.8	0	0	0	0	0	112.4	H341 I367 L368 R373 F374 C375 L386	H341-A371 HydrophobicContact CB-CB 3.81Å; I367-A371 PolarHBondContact O-N 3.17Å; L368-A371 PolarHBondContact O-N 3.25Å; A371-R373 VanDerWaalsContact C-N 3.29Å; A371-R373 PolarHBondContact O-N 2.82Å; A371-F374 PolarHBondContact O-N 3.18Å; A371-C375 PolarHBondContact O-N 3.35Å; A371-C375 PolarHBondContact O-SG 3.23Å; A371-L386 HydrophobicContact CB-CD1 3.99Å; A371-L386 HydrophobicContact CB-CD2 3.82Å
372	V	92.1	Very high	88.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.5	-40.1	178.3	170.1	0	0	0	0	111.8	L368 R369 C375 A376 L386 E419 F422 L423	L368-V372 HydrophobicContact CD2-CG2 3.88Å; L368-V372 HydrophobicContact CG-CG2 4.44Å; L368-V372 VanDerWaalsContact O-CG2 3.31Å; L368-V372 WeakPolarHBondContact O-CG2 3.34Å; L368-V372 PolarHBondContact O-N 3.43Å; R369-V372 PolarHBondContact O-N 3.05Å; V372-C375 WeakPolarHBondContact O-CB 3.48Å; V372-C375 PolarHBondContact O-N 3.23Å; V372-A376 WeakPolarHBondContact O-CB 3.4Å; V372-A376 PolarHBondContact O-N 3.44Å; V372-L386 HydrophobicContact CG2-CD2 3.64Å; V372-E419 HydrophobicContact CG1-CG 3.82Å; V372-E419 HydrophobicContact CG2-CB 3.87Å; V372-E419 HydrophobicContact CG2-CG 3.8Å; V372-F422 HydrophobicContact CB-CD1 3.93Å; V372-F422 HydrophobicContact CB-CE1 4.22Å; V372-F422 HydrophobicContact CG1-CD1 3.68Å; V372-F422 HydrophobicContact CG1-CE1 4.12Å; V372-L423 HydrophobicContact CG1-CD2 3.74Å; V372-L423 HydrophobicContact CG1-CG 4.01Å
373	R	87.8	Confident	89.2	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.015	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-48.5	176.5	178.9	-175.1	165.2	-145.3	-17	111.6	R369 R370 A371 C375 A376 E377 F422 L463 M467 E470	R369-R373 WeakPolarHBondContact O-CB 3.43Å; R369-R373 PolarHBondContact O-N 3.19Å; R370-R373 PolarHBondContact O-N 2.84Å; A371-R373 VanDerWaalsContact C-N 3.29Å; A371-R373 PolarHBondContact O-N 2.82Å; R373-C375 VanDerWaalsContact C-N 3.25Å; R373-C375 PolarHBondContact O-N 3.13Å; R373-A376 PolarHBondContact O-N 2.82Å; R373-A376 VanDerWaalsContact O-N 3.12Å; R373-E377 HydrophobicContact CG-CB 4.36Å; R373-E377 HydrophobicContact CG-CG 4.1Å; R373-E377 WeakPolarHBondContact CG-OE2 3.38Å; R373-E377 IonicContact CZ-OE2 3.34Å; R373-E377 IonicContact NE-OE2 2.9Å; R373-E377 PolarHBondContact NE-OE2 3.48Å; R373-E377 IonicContact NH2-OE2 3Å; R373-E377 PolarHBondContact O-N 3.2Å; R373-F422 HydrophobicContact CB-CE1 4.5Å; R373-L463 VanDerWaalsContact CD-CD1 3.46Å; R373-M467 VanDerWaalsContact CZ-CG 3.48Å; R373-E470 IonicContact CZ-OE1 3.05Å; R373-E470 IonicContact NH2-OE1 3.09Å; R373-E470 PolarHBondContact NH2-OE1 3.15Å; R373-E470 IonicContact NH2-OE2 3.22Å; R373-E470 PolarHBondContact NH2-OE2 2.9Å
374	F	91.2	Very high	89.8	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.009	16%	0.162	C	C	.	.	I	π-helix	trans	-60.3	-38.6	178.6	-83.9	-68.5	0	0	0	111.6	A334 V337 V338 R370 A371 V378 L379 L466	A334-F374 HydrophobicContact CB-CB 4.07Å; A334-F374 HydrophobicContact CB-CD1 3.47Å; A334-F374 VanDerWaalsContact CB-CD1 3.47Å; A334-F374 HydrophobicContact CB-CE1 4.27Å; A334-F374 HydrophobicContact CB-CG 4.1Å; V337-F374 HydrophobicContact CB-CD2 3.96Å; V337-F374 HydrophobicContact CB-CE2 4.15Å; V337-F374 HydrophobicContact CG1-CD2 3.51Å; V337-F374 HydrophobicContact CG1-CE2 3.78Å; V337-F374 HydrophobicContact CG1-CG 4.4Å; V337-F374 HydrophobicContact CG2-CD2 4.34Å; V337-F374 HydrophobicContact CG2-CE2 4.02Å; V337-F374 HydrophobicContact CG2-CZ 4.4Å; V338-F374 HydrophobicContact CG2-CB 3.83Å; R370-F374 HydrophobicContact CG-CD2 4.02Å; R370-F374 HydrophobicContact CG-CE2 3.89Å; R370-F374 VanDerWaalsContact O-CD2 3.29Å; R370-F374 WeakPolarHBondContact O-CD2 3.44Å; R370-F374 PolarHBondContact O-N 2.93Å; R370-F374 VanDerWaalsContact O-N 3.15Å; A371-F374 PolarHBondContact O-N 3.18Å; F374-V378 HydrophobicContact CD1-CB 4.2Å; F374-V378 HydrophobicContact CD1-CG2 3.76Å; F374-V378 HydrophobicContact CE1-CG2 4.2Å; F374-V378 PolarHBondContact O-N 3.07Å; F374-L379 PolarHBondContact O-N 3.39Å; F374-L466 HydrophobicContact CZ-CD2 4.45Å
375	C	93.9	Very high	90.3	Very high	4 Å²	4	30 Å²	30	3%	0.027	17%	0.165	C	C	.	.	I	π-helix	trans	-57.6	-51.6	170.4	-70.5	0	0	0	0	112.1	A371 V372 R373 L379 Q380 A381	A371-C375 PolarHBondContact O-N 3.35Å; A371-C375 PolarHBondContact O-SG 3.23Å; V372-C375 WeakPolarHBondContact O-CB 3.48Å; V372-C375 PolarHBondContact O-N 3.23Å; R373-C375 VanDerWaalsContact C-N 3.25Å; R373-C375 PolarHBondContact O-N 3.13Å; C375-L379 CarbonylContact O-C 3.56Å; C375-Q380 PolarHBondContact O-N 3.16Å; C375-Q380 VanDerWaalsContact O-N 3.09Å; C375-A381 HydrophobicContact CB-CB 4.34Å; C375-A381 PolarHBondContact O-N 3.1Å
376	A	89.8	Confident	91.1	Very high	41 Å²	41	27.5 Å²	27.5	34%	0.339	16%	0.156	S	C	.	.	I	π-helix	trans	-77.3	-46.1	-171.3	0	0	0	0	0	114.1	V372 R373 L423	V372-A376 WeakPolarHBondContact O-CB 3.4Å; V372-A376 PolarHBondContact O-N 3.44Å; R373-A376 PolarHBondContact O-N 2.82Å; R373-A376 VanDerWaalsContact O-N 3.12Å; A376-L423 HydrophobicContact CB-CD2 4.12Å
377	E	87.5	Confident	91.9	Very high	84 Å²	84	23.8 Å²	23.8	39%	0.393	14%	0.142	S	C	.	.	I	π-helix	trans	-92.6	-33.7	-169.9	-65.6	-174.9	169.7	0	0	113.1	R373	R373-E377 HydrophobicContact CG-CB 4.36Å; R373-E377 HydrophobicContact CG-CG 4.1Å; R373-E377 WeakPolarHBondContact CG-OE2 3.38Å; R373-E377 IonicContact CZ-OE2 3.34Å; R373-E377 IonicContact NE-OE2 2.9Å; R373-E377 PolarHBondContact NE-OE2 3.48Å; R373-E377 IonicContact NH2-OE2 3Å; R373-E377 PolarHBondContact O-N 3.2Å
378	V	90.3	Very high	92.2	Very high	21 Å²	21	25.9 Å²	25.9	13%	0.127	16%	0.157	C	C	.	.	I	π-helix	trans	-102.1	-54	-175.5	-174.7	0	0	0	0	111.5	Q330 V331 A334 F374 Q380	Q330-V378 HydrophobicContact CG-CG1 4.28Å; V331-V378 HydrophobicContact CG2-CG1 4.42Å; A334-V378 HydrophobicContact CB-CB 3.92Å; A334-V378 HydrophobicContact CB-CG1 3.66Å; F374-V378 HydrophobicContact CD1-CB 4.2Å; F374-V378 HydrophobicContact CD1-CG2 3.76Å; F374-V378 HydrophobicContact CE1-CG2 4.2Å; F374-V378 PolarHBondContact O-N 3.07Å; V378-Q380 VanDerWaalsContact C-N 3.26Å; V378-Q380 PolarHBondContact O-N 2.93Å
379	L	93.9	Very high	92.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	16%	0.157	C	C	.	.	S	Bend	trans	-78.7	-11.5	-179.5	-60.6	175.4	0	0	0	113.2	I310 R315 V316 V331 A334 Y335 V338 F374 C375 A381	I310-L379 HydrophobicContact CG2-CD1 3.6Å; R315-L379 PolarHBondContact N-O 3.28Å; V316-L379 HydrophobicContact CG2-CD2 3.77Å; V331-L379 HydrophobicContact CG1-CD2 4.33Å; A334-L379 HydrophobicContact CB-CD1 4.33Å; A334-L379 HydrophobicContact CB-CD2 3.83Å; A334-L379 HydrophobicContact CB-CG 3.83Å; Y335-L379 HydrophobicContact CD2-CD2 3.85Å; Y335-L379 HydrophobicContact CE2-CD2 3.82Å; Y335-L379 HydrophobicContact CG-CD2 4.35Å; V338-L379 HydrophobicContact CB-CD1 4.49Å; V338-L379 HydrophobicContact CG2-CD1 3.95Å; F374-L379 PolarHBondContact O-N 3.39Å; C375-L379 CarbonylContact O-C 3.56Å; L379-A381 PolarHBondContact O-N 3Å; L379-A381 VanDerWaalsContact O-N 3.15Å
380	Q	93.9	Very high	93.1	Very high	109 Å²	109	25.6 Å²	25.6	51%	0.509	16%	0.156	S	C	.	.			trans	52.7	33.3	-178.3	-57	179.3	20.5	0	0	113.1	R315 C375 V378	R315-Q380 HydrophobicContact CB-CB 4.07Å; R315-Q380 WeakPolarHBondContact CD-O 3.01Å; R315-Q380 WeakPolarHBondContact CG-O 3.48Å; C375-Q380 PolarHBondContact O-N 3.16Å; C375-Q380 VanDerWaalsContact O-N 3.09Å; V378-Q380 VanDerWaalsContact C-N 3.26Å; V378-Q380 PolarHBondContact O-N 2.93Å
381	A	94	Very high	93.6	Very high	12 Å²	12	28.2 Å²	28.2	10%	0.099	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-77.8	144.3	179.8	0	0	0	0	0	110.6	C375 L379	C375-A381 HydrophobicContact CB-CB 4.34Å; C375-A381 PolarHBondContact O-N 3.1Å; L379-A381 PolarHBondContact O-N 3Å; L379-A381 VanDerWaalsContact O-N 3.15Å
382	P	93.1	Very high	93.8	Very high	56 Å²	56	29.1 Å²	29.1	36%	0.364	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-67.1	156.1	178.1	28	-33.9	0	0	0	112	R313 G384 S385	R313-P382 VanDerWaalsContact O-CD 3.3Å; R313-P382 WeakPolarHBondContact O-CD 3.44Å; P382-G384 PolarHBondContact O-N 3.17Å; P382-S385 VanDerWaalsContact CD-OG 3.29Å; P382-S385 WeakPolarHBondContact CD-OG 3.41Å; P382-S385 WeakPolarHBondContact CG-OG 3.37Å; P382-S385 VanDerWaalsContact O-CB 3.28Å; P382-S385 WeakPolarHBondContact O-CB 3.43Å; P382-S385 PolarHBondContact O-N 2.89Å; P382-S385 PolarHBondContact O-OG 2.92Å
383	P	92.4	Very high	94	Very high	105 Å²	105	29.1 Å²	29.1	68%	0.682	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	140	173.8	-26.5	34.9	0	0	0	112.6	S385 E419 L423	P383-S385 VanDerWaalsContact C-N 3.32Å; P383-E419 WeakPolarHBondContact CA-OE1 3.4Å; P383-L423 HydrophobicContact CB-CD1 3.92Å; P383-L423 HydrophobicContact CG-CD1 4.05Å
384	G	94.3	Very high	94.4	Very high	22 Å²	22	29.1 Å²	29.1	23%	0.227	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-1.9	-176.4	0	0	0	0	0	114.2	P382 L386 A387 S388 N416 E419	P382-G384 PolarHBondContact O-N 3.17Å; G384-L386 VanDerWaalsContact C-N 3.29Å; G384-L386 PolarHBondContact O-N 2.87Å; G384-A387 PolarHBondContact O-N 2.61Å; G384-S388 PolarHBondContact O-N 2.86Å; G384-S388 VanDerWaalsContact O-N 3.15Å; G384-N416 WeakPolarHBondContact CA-OD1 3.46Å; G384-E419 WeakPolarHBondContact CA-OE2 3.35Å; G384-E419 VanDerWaalsContact N-CD 3.33Å; G384-E419 PolarHBondContact N-OE1 3.05Å; G384-E419 PolarHBondContact N-OE2 3.34Å
385	S	95.1	Very high	94.5	Very high	8 Å²	8	35.3 Å²	35.3	6%	0.056	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-36.8	176.5	-65.2	0	0	0	0	112.2	P382 P383 S388	P382-S385 VanDerWaalsContact CD-OG 3.29Å; P382-S385 WeakPolarHBondContact CD-OG 3.41Å; P382-S385 WeakPolarHBondContact CG-OG 3.37Å; P382-S385 VanDerWaalsContact O-CB 3.28Å; P382-S385 WeakPolarHBondContact O-CB 3.43Å; P382-S385 PolarHBondContact O-N 2.89Å; P382-S385 PolarHBondContact O-OG 2.92Å; P383-S385 VanDerWaalsContact C-N 3.32Å; S385-S388 PolarHBondContact O-N 3.36Å; S385-S388 PolarHBondContact O-OG 3.18Å
386	L	96.5	Very high	94.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-47.5	179.7	-177.3	62.8	0	0	0	111.7	V338 I342 L345 A371 V372 G384 S388 L389 I415	V338-L386 HydrophobicContact CG1-CD1 4.11Å; I342-L386 HydrophobicContact CB-CD1 4.03Å; I342-L386 HydrophobicContact CD1-CD1 3.92Å; I342-L386 HydrophobicContact CD1-CG 4.09Å; I342-L386 WeakPolarHBondContact CD1-O 3.45Å; I342-L386 HydrophobicContact CG1-CD1 4.36Å; L345-L386 HydrophobicContact CD1-CD2 4.11Å; A371-L386 HydrophobicContact CB-CD1 3.99Å; A371-L386 HydrophobicContact CB-CD2 3.82Å; V372-L386 HydrophobicContact CG2-CD2 3.64Å; G384-L386 VanDerWaalsContact C-N 3.29Å; G384-L386 PolarHBondContact O-N 2.87Å; L386-S388 PolarHBondContact O-N 3.46Å; L386-L389 HydrophobicContact CD1-CD1 4.4Å; L386-L389 WeakPolarHBondContact O-CB 3.47Å; L386-L389 PolarHBondContact O-N 2.83Å; L386-I415 HydrophobicContact CB-CG2 4.28Å; L386-I415 HydrophobicContact CD2-CG2 3.91Å; L386-I415 HydrophobicContact CG-CG2 3.93Å
387	A	96.7	Very high	94.5	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.033	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64.3	-30.2	177.2	0	0	0	0	0	112.5	G384 L389 V390 A412 I415 N416	G384-A387 PolarHBondContact O-N 2.61Å; A387-L389 PolarHBondContact O-N 3.08Å; A387-L389 VanDerWaalsContact O-N 3.14Å; A387-V390 WeakPolarHBondContact O-CB 3.36Å; A387-V390 VanDerWaalsContact O-CG2 3.26Å; A387-V390 WeakPolarHBondContact O-CG2 3.31Å; A387-V390 PolarHBondContact O-N 3.27Å; A387-V390 VanDerWaalsContact O-N 3.15Å; A387-A412 HydrophobicContact CB-CB 4.25Å; A387-I415 HydrophobicContact CB-CB 4.14Å; A387-I415 HydrophobicContact CB-CG2 3.93Å; A387-N416 HydrophobicContact CB-CB 4.46Å; A387-N416 VanDerWaalsContact CB-CG 3.42Å; A387-N416 WeakPolarHBondContact CB-ND2 3.18Å; A387-N416 WeakPolarHBondContact CB-OD1 3.48Å
388	S	96.5	Very high	94.6	Very high	43 Å²	43	30.9 Å²	30.9	30%	0.301	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-65.5	-13.5	178	82.5	0	0	0	0	114.4	G384 S385 L386 P391	G384-S388 PolarHBondContact O-N 2.86Å; G384-S388 VanDerWaalsContact O-N 3.15Å; S385-S388 PolarHBondContact O-N 3.36Å; S385-S388 PolarHBondContact O-OG 3.18Å; L386-S388 PolarHBondContact O-N 3.46Å; S388-P391 WeakPolarHBondContact O-CD 3.34Å
389	L	97.9	Very high	94.6	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.026	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-85.1	-13.1	177.3	-60.5	174	0	0	0	113.1	L306 A309 I310 V338 I342 L386 A387 P391 T392 V393	L306-L389 HydrophobicContact CD2-CB 4.49Å; A309-L389 HydrophobicContact CB-CD2 3.68Å; I310-L389 HydrophobicContact CD1-CD1 4.37Å; I310-L389 HydrophobicContact CG1-CD1 3.67Å; I310-L389 HydrophobicContact CG1-CD2 3.92Å; I310-L389 HydrophobicContact CG1-CG 4.47Å; V338-L389 HydrophobicContact CG1-CD1 3.72Å; I342-L389 HydrophobicContact CG1-CB 3.9Å; I342-L389 HydrophobicContact CG2-CB 4.43Å; I342-L389 HydrophobicContact CG2-CD1 4.32Å; L386-L389 HydrophobicContact CD1-CD1 4.4Å; L386-L389 WeakPolarHBondContact O-CB 3.47Å; L386-L389 PolarHBondContact O-N 2.83Å; A387-L389 PolarHBondContact O-N 3.08Å; A387-L389 VanDerWaalsContact O-N 3.14Å; L389-P391 VanDerWaalsContact C-CD 3.48Å; L389-T392 WeakPolarHBondContact O-CB 3.47Å; L389-T392 PolarHBondContact O-N 3.23Å; L389-T392 VanDerWaalsContact O-N 3.1Å; L389-V393 PolarHBondContact O-N 3.32Å; L389-V393 VanDerWaalsContact O-N 3.13Å
390	V	97.9	Very high	94.4	Very high	3 Å²	3	39 Å²	39	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-55.4	-42.8	-179	174.2	0	0	0	0	113	I342 A387 T392 V393 A394 A408 I411 A412 I415	I342-V390 HydrophobicContact CD1-CG2 4.07Å; A387-V390 WeakPolarHBondContact O-CB 3.36Å; A387-V390 VanDerWaalsContact O-CG2 3.26Å; A387-V390 WeakPolarHBondContact O-CG2 3.31Å; A387-V390 PolarHBondContact O-N 3.27Å; A387-V390 VanDerWaalsContact O-N 3.15Å; V390-T392 VanDerWaalsContact C-N 3.3Å; V390-T392 PolarHBondContact O-N 2.75Å; V390-V393 PolarHBondContact O-N 3.45Å; V390-A394 PolarHBondContact O-N 2.89Å; V390-A408 HydrophobicContact CG1-CB 4.25Å; V390-I411 HydrophobicContact CG1-CB 4.1Å; V390-I411 HydrophobicContact CG1-CG2 3.91Å; V390-I411 HydrophobicContact CG2-CG2 3.76Å; V390-A412 HydrophobicContact CG2-CB 4.37Å; V390-I415 HydrophobicContact CG2-CD1 3.88Å
391	P	96.9	Very high	94.3	Very high	68 Å²	68	34 Å²	34	44%	0.442	21%	0.206	S	C	.	.	H	α-helix	trans	-59.4	-38.7	176.2	-25.2	36.1	0	0	0	113.3	S388 L389 A394 Q395	S388-P391 WeakPolarHBondContact O-CD 3.34Å; L389-P391 VanDerWaalsContact C-CD 3.48Å; P391-A394 PolarHBondContact O-N 3.06Å; P391-Q395 VanDerWaalsContact O-CG 3.32Å; P391-Q395 WeakPolarHBondContact O-CG 3.14Å; P391-Q395 PolarHBondContact O-N 2.88Å
392	T	97.1	Very high	94.1	Very high	20 Å²	20	36.7 Å²	36.7	12%	0.123	22%	0.222	C	C	.	.	H	α-helix	trans	-66.4	-40.8	176.8	-50.4	0	0	0	0	111	P305 L306 A309 L389 V390 A394 Q395 T396	P305-T392 HydrophobicContact CB-CG2 3.98Å; L306-T392 HydrophobicContact CD2-CG2 3.7Å; L306-T392 HydrophobicContact CG-CG2 3.96Å; A309-T392 HydrophobicContact CB-CG2 4.42Å; L389-T392 WeakPolarHBondContact O-CB 3.47Å; L389-T392 PolarHBondContact O-N 3.23Å; L389-T392 VanDerWaalsContact O-N 3.1Å; V390-T392 VanDerWaalsContact C-N 3.3Å; V390-T392 PolarHBondContact O-N 2.75Å; T392-A394 VanDerWaalsContact C-N 3.33Å; T392-A394 PolarHBondContact O-N 2.82Å; T392-Q395 PolarHBondContact O-N 3.48Å; T392-T396 PolarHBondContact O-N 3.49Å; T392-T396 PolarHBondContact O-OG1 3.49Å
393	V	97.1	Very high	93.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.6	-44.5	173.3	178.6	0	0	0	0	111.1	L306 I342 R343 A346 L389 V390 Q395 T396 L397	L306-V393 HydrophobicContact CD1-CG2 4.29Å; L306-V393 HydrophobicContact CD2-CG2 3.72Å; I342-V393 HydrophobicContact CB-CG2 4.47Å; I342-V393 HydrophobicContact CG1-CG2 3.92Å; I342-V393 HydrophobicContact CG2-CG2 3.89Å; R343-V393 HydrophobicContact CG-CG1 4.32Å; R343-V393 HydrophobicContact CG-CG2 4.25Å; A346-V393 HydrophobicContact CB-CB 4.41Å; A346-V393 HydrophobicContact CB-CG1 3.8Å; L389-V393 PolarHBondContact O-N 3.32Å; L389-V393 VanDerWaalsContact O-N 3.13Å; V390-V393 PolarHBondContact O-N 3.45Å; V393-Q395 VanDerWaalsContact C-N 3.3Å; V393-Q395 PolarHBondContact O-N 3.12Å; V393-T396 PolarHBondContact O-N 3.38Å; V393-L397 HydrophobicContact CG1-CD1 3.87Å; V393-L397 WeakPolarHBondContact O-CB 3.16Å; V393-L397 PolarHBondContact O-N 3.03Å
394	A	95.7	Very high	93.7	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.033	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-37.2	177.6	0	0	0	0	0	111.7	V390 P391 T392 G398 L404 F405	V390-A394 PolarHBondContact O-N 2.89Å; P391-A394 PolarHBondContact O-N 3.06Å; T392-A394 VanDerWaalsContact C-N 3.33Å; T392-A394 PolarHBondContact O-N 2.82Å; A394-G398 WeakPolarHBondContact O-CA 3.32Å; A394-G398 PolarHBondContact O-N 3.45Å; A394-L404 HydrophobicContact CB-CB 4.43Å; A394-F405 HydrophobicContact CB-CD1 3.73Å; A394-F405 HydrophobicContact CB-CE1 3.82Å; A394-F405 HydrophobicContact CB-CG 4.47Å; A394-F405 WeakPolarHBondContact O-CE1 3.16Å; A394-F405 WeakPolarHBondContact O-CZ 3.38Å
395	Q	93.2	Very high	93.6	Very high	132 Å²	132	34.4 Å²	34.4	62%	0.617	19%	0.19	S	C	*	.	H	α-helix	trans	-65.6	-41.1	174.1	-72.3	168.4	5.9	0	0	112.8	P391 T392 V393	P391-Q395 VanDerWaalsContact O-CG 3.32Å; P391-Q395 WeakPolarHBondContact O-CG 3.14Å; P391-Q395 PolarHBondContact O-N 2.88Å; T392-Q395 PolarHBondContact O-N 3.48Å; V393-Q395 VanDerWaalsContact C-N 3.3Å; V393-Q395 PolarHBondContact O-N 3.12Å
396	T	91.3	Very high	93.1	Very high	34 Å²	34	42.6 Å²	42.6	21%	0.209	22%	0.22	C	C	.	.	H	α-helix	trans	-74.5	-36.6	-178.6	-55.5	0	0	0	0	112.9	T392 V393	T392-T396 PolarHBondContact O-N 3.49Å; T392-T396 PolarHBondContact O-OG1 3.49Å; V393-T396 PolarHBondContact O-N 3.38Å
397	L	92.9	Very high	92.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-112	-20.1	-170.6	-66.5	179.1	0	0	0	114.3	F137 R343 V347 V393 D399 T400 Y401 L404	F137-L397 HydrophobicContact CE1-CD1 3.75Å; F137-L397 HydrophobicContact CZ-CD1 4.31Å; R343-L397 HydrophobicContact CG-CD1 4.42Å; V347-L397 HydrophobicContact CG2-CD1 4.2Å; V393-L397 HydrophobicContact CG1-CD1 3.87Å; V393-L397 WeakPolarHBondContact O-CB 3.16Å; V393-L397 PolarHBondContact O-N 3.03Å; L397-D399 VanDerWaalsContact C-N 3.34Å; L397-D399 PolarHBondContact O-N 3.11Å; L397-T400 PolarHBondContact O-N 3.05Å; L397-Y401 HydrophobicContact CB-CD2 4.2Å; L397-Y401 WeakPolarHBondContact O-CD2 3.31Å; L397-Y401 PolarHBondContact O-N 3.18Å; L397-L404 HydrophobicContact CB-CD1 3.41Å; L397-L404 VanDerWaalsContact CB-CD1 3.41Å; L397-L404 HydrophobicContact CD1-CD1 4.13Å; L397-L404 HydrophobicContact CG-CD1 4.43Å
398	G	90.1	Very high	92.4	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.01	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.1	-165.9	0	0	0	0	0	115.1	A394 T400 Y401 P402 F405	A394-G398 WeakPolarHBondContact O-CA 3.32Å; A394-G398 PolarHBondContact O-N 3.45Å; G398-T400 PolarHBondContact O-N 2.91Å; G398-Y401 CarbonylContact O-C 3.35Å; G398-Y401 VanDerWaalsContact O-C 3.24Å; G398-Y401 PolarHBondContact O-N 2.95Å; G398-P402 VanDerWaalsContact O-CA 3.24Å; G398-P402 WeakPolarHBondContact O-CA 3.1Å; G398-P402 VanDerWaalsContact O-N 3.17Å; G398-F405 VanDerWaalsContact C-CE2 3.41Å; G398-F405 VanDerWaalsContact CA-CE2 3.45Å
399	D	89.4	Confident	91.9	Very high	144 Å²	144	50.3 Å²	50.3	77%	0.77	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-33.9	172	-73.5	-10.4	0	0	0	111.7	L397	L397-D399 VanDerWaalsContact C-N 3.34Å; L397-D399 PolarHBondContact O-N 3.11Å
400	T	89.6	Confident	91.3	Very high	49 Å²	49	52.9 Å²	52.9	30%	0.301	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-33.2	177.3	-52	0	0	0	0	111.1	R50 L397 G398	R50-T400 PolarHBondContact NH1-OG1 3.37Å; L397-T400 PolarHBondContact O-N 3.05Å; G398-T400 PolarHBondContact O-N 2.91Å
401	Y	92.6	Very high	91	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.02	27%	0.267	C	S	.	.			trans	-128.2	80.2	-177.7	-48.2	-67.7	0	0	0	111.4	S112 R114 E139 L397 G398 E403 L404	S112-Y401 PolarHBondContact O-OH 3.39Å; R114-Y401 HydrophobicContact CG-CD1 4.06Å; R114-Y401 HydrophobicContact CG-CD2 4.42Å; R114-Y401 HydrophobicContact CG-CE1 3.5Å; R114-Y401 VanDerWaalsContact CG-CE1 3.5Å; R114-Y401 HydrophobicContact CG-CE2 3.94Å; R114-Y401 HydrophobicContact CG-CG 4.48Å; R114-Y401 VanDerWaalsContact CG-CZ 3.43Å; R114-Y401 VanDerWaalsContact CZ-CD1 3.45Å; E139-Y401 HydrophobicContact CG-CE2 4.29Å; E139-Y401 PolarHBondContact OE2-OH 3.38Å; L397-Y401 HydrophobicContact CB-CD2 4.2Å; L397-Y401 WeakPolarHBondContact O-CD2 3.31Å; L397-Y401 PolarHBondContact O-N 3.18Å; G398-Y401 CarbonylContact O-C 3.35Å; G398-Y401 VanDerWaalsContact O-C 3.24Å; G398-Y401 PolarHBondContact O-N 2.95Å; Y401-E403 PolarHBondContact O-N 2.62Å; Y401-E403 VanDerWaalsContact O-N 3.08Å; Y401-L404 WeakPolarHBondContact O-CB 3.32Å; Y401-L404 PolarHBondContact O-N 2.93Å
402	P	89.6	Confident	90.9	Very high	68 Å²	68	50.4 Å²	50.4	44%	0.442	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.9	-170.3	-26	35.8	0	0	0	115.8	G398 L404 F405 R406	G398-P402 VanDerWaalsContact O-CA 3.24Å; G398-P402 WeakPolarHBondContact O-CA 3.1Å; G398-P402 VanDerWaalsContact O-N 3.17Å; P402-L404 PolarHBondContact O-N 3.11Å; P402-F405 PolarHBondContact O-N 3.08Å; P402-R406 PolarHBondContact O-N 3.06Å
403	E	85.3	Confident	90.3	Very high	33 Å²	33	53.5 Å²	53.5	15%	0.154	27%	0.269	C	S	.	.	H	α-helix	trans	-54.8	-30.8	169.8	51.6	-89	-150.1	0	0	113.3	R114 A350 Y401 F405 R406 E407	R114-E403 IonicContact CZ-OE1 3.74Å; R114-E403 IonicContact NH1-OE1 3.8Å; R114-E403 PolarHBondContact NH1-OE1 3.21Å; R114-E403 IonicContact NH2-OE1 3.54Å; R114-E403 PolarHBondContact NH2-OE1 2.81Å; A350-E403 HydrophobicContact CB-CB 4.49Å; A350-E403 HydrophobicContact CB-CG 4.2Å; Y401-E403 PolarHBondContact O-N 2.62Å; Y401-E403 VanDerWaalsContact O-N 3.08Å; E403-F405 VanDerWaalsContact C-N 3.31Å; E403-F405 PolarHBondContact O-N 3.19Å; E403-R406 PolarHBondContact O-N 3.29Å; E403-R406 IonicContact OE2-NH2 3.28Å; E403-E407 PolarHBondContact O-N 2.94Å
404	L	91.9	Very high	89.7	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-65.1	-35.7	177.6	-69.7	172.8	0	0	0	112	A346 V347 A350 A394 L397 Y401 P402 A408 I411	A346-L404 HydrophobicContact CB-CD2 4.07Å; V347-L404 HydrophobicContact CG2-CD1 4.39Å; V347-L404 HydrophobicContact CG2-CD2 4.3Å; A350-L404 HydrophobicContact CB-CD2 3.9Å; A394-L404 HydrophobicContact CB-CB 4.43Å; L397-L404 HydrophobicContact CB-CD1 3.41Å; L397-L404 VanDerWaalsContact CB-CD1 3.41Å; L397-L404 HydrophobicContact CD1-CD1 4.13Å; L397-L404 HydrophobicContact CG-CD1 4.43Å; Y401-L404 WeakPolarHBondContact O-CB 3.32Å; Y401-L404 PolarHBondContact O-N 2.93Å; P402-L404 PolarHBondContact O-N 3.11Å; L404-A408 WeakPolarHBondContact O-CB 3.33Å; L404-A408 PolarHBondContact O-N 3.4Å; L404-I411 HydrophobicContact CD2-CD1 4.3Å
405	F	91.3	Very high	89.6	Confident	99 Å²	99	54.4 Å²	54.4	43%	0.434	27%	0.273	S	S	.	.	H	α-helix	trans	-71.7	-42.7	172.1	-75.2	-58.6	0	0	0	111.7	A394 G398 P402 E403 E407	A394-F405 HydrophobicContact CB-CD1 3.73Å; A394-F405 HydrophobicContact CB-CE1 3.82Å; A394-F405 HydrophobicContact CB-CG 4.47Å; A394-F405 WeakPolarHBondContact O-CE1 3.16Å; A394-F405 WeakPolarHBondContact O-CZ 3.38Å; G398-F405 VanDerWaalsContact C-CE2 3.41Å; G398-F405 VanDerWaalsContact CA-CE2 3.45Å; P402-F405 PolarHBondContact O-N 3.08Å; E403-F405 VanDerWaalsContact C-N 3.31Å; E403-F405 PolarHBondContact O-N 3.19Å; F405-E407 PolarHBondContact O-N 3.41Å
406	R	86.3	Confident	89.5	Confident	180 Å²	180	51.1 Å²	51.1	68%	0.679	26%	0.26	S	S	*	.	H	α-helix	trans	-65.1	-36.8	-176.9	-70.3	-178.1	-73.9	152.9	-3.2	113.1	P402 E403	P402-R406 PolarHBondContact O-N 3.06Å; E403-R406 PolarHBondContact O-N 3.29Å; E403-R406 IonicContact OE2-NH2 3.28Å
407	E	86	Confident	89.1	Confident	55 Å²	55	53.5 Å²	53.5	26%	0.257	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	7.8	-175.1	-60.3	-70	126.9	0	0	113.4	E403 F405 D409 R410 I411	E403-E407 PolarHBondContact O-N 2.94Å; F405-E407 PolarHBondContact O-N 3.41Å; E407-D409 PolarHBondContact O-N 3.48Å; E407-R410 WeakPolarHBondContact O-CB 3.27Å; E407-R410 PolarHBondContact O-N 3.41Å; E407-R410 WeakPolarHBondContact OE2-CD 3.38Å; E407-R410 IonicContact OE2-CZ 3.37Å; E407-R410 IonicContact OE2-NE 2.87Å; E407-R410 IonicContact OE2-NH1 3.09Å; E407-R410 PolarHBondContact OE2-NH1 3.06Å; E407-I411 HydrophobicContact CB-CD1 4.09Å; E407-I411 HydrophobicContact CB-CG1 4.24Å; E407-I411 VanDerWaalsContact O-CG1 3.27Å; E407-I411 WeakPolarHBondContact O-CG1 3.41Å; E407-I411 PolarHBondContact O-N 2.91Å
408	A	90.8	Very high	88.6	Confident	19 Å²	19	54.6 Å²	54.6	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-50.5	-49.1	-173	0	0	0	0	0	113.7	V390 L404 R410 I411 A412	V390-A408 HydrophobicContact CG1-CB 4.25Å; L404-A408 WeakPolarHBondContact O-CB 3.33Å; L404-A408 PolarHBondContact O-N 3.4Å; A408-R410 PolarHBondContact O-N 2.86Å; A408-I411 PolarHBondContact O-N 3.21Å; A408-A412 PolarHBondContact O-N 3.15Å
409	D	87.9	Confident	88.5	Confident	136 Å²	136	54.8 Å²	54.8	73%	0.727	28%	0.275	S	S	*	.	H	α-helix	trans	-62.3	-43.6	179.4	-66.5	-26.8	0	0	0	111.6	E407 I411 A412 D413	E407-D409 PolarHBondContact O-N 3.48Å; D409-I411 PolarHBondContact O-N 2.9Å; D409-A412 PolarHBondContact O-N 2.99Å; D409-D413 PolarHBondContact O-N 3.2Å
410	R	84.3	Confident	88.1	Confident	58 Å²	58	50 Å²	50	22%	0.219	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-39.6	178.9	-173.5	-169.6	-178.7	175.2	0.1	111.7	E407 A408 A412 D413 I414	E407-R410 WeakPolarHBondContact O-CB 3.27Å; E407-R410 PolarHBondContact O-N 3.41Å; E407-R410 WeakPolarHBondContact OE2-CD 3.38Å; E407-R410 IonicContact OE2-CZ 3.37Å; E407-R410 IonicContact OE2-NE 2.87Å; E407-R410 IonicContact OE2-NH1 3.09Å; E407-R410 PolarHBondContact OE2-NH1 3.06Å; A408-R410 PolarHBondContact O-N 2.86Å; R410-A412 VanDerWaalsContact C-N 3.35Å; R410-D413 PolarHBondContact O-N 3.43Å; R410-I414 HydrophobicContact CG-CD1 3.97Å; R410-I414 VanDerWaalsContact O-CG1 3.28Å; R410-I414 WeakPolarHBondContact O-CG1 3.44Å; R410-I414 PolarHBondContact O-N 3.5Å
411	I	91.2	Very high	87.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-49.1	175.2	-66.1	162.4	0	0	0	109.2	A346 I349 A350 V390 L404 E407 A408 D409 D413 I414 I415	A346-I411 HydrophobicContact CB-CG2 4.11Å; I349-I411 HydrophobicContact CB-CG1 4.11Å; I349-I411 HydrophobicContact CB-CG2 4.47Å; I349-I411 HydrophobicContact CD1-CG2 4.34Å; I349-I411 HydrophobicContact CG2-CB 4.28Å; I349-I411 HydrophobicContact CG2-CG1 3.75Å; A350-I411 HydrophobicContact CB-CD1 4.1Å; V390-I411 HydrophobicContact CG1-CB 4.1Å; V390-I411 HydrophobicContact CG1-CG2 3.91Å; V390-I411 HydrophobicContact CG2-CG2 3.76Å; L404-I411 HydrophobicContact CD2-CD1 4.3Å; E407-I411 HydrophobicContact CB-CD1 4.09Å; E407-I411 HydrophobicContact CB-CG1 4.24Å; E407-I411 VanDerWaalsContact O-CG1 3.27Å; E407-I411 WeakPolarHBondContact O-CG1 3.41Å; E407-I411 PolarHBondContact O-N 2.91Å; A408-I411 PolarHBondContact O-N 3.21Å; D409-I411 PolarHBondContact O-N 2.9Å; I411-D413 PolarHBondContact O-N 2.83Å; I411-I414 PolarHBondContact O-N 2.85Å; I411-I415 HydrophobicContact CG2-CD1 3.86Å; I411-I415 VanDerWaalsContact O-CG1 3.31Å; I411-I415 WeakPolarHBondContact O-CG1 3.31Å; I411-I415 PolarHBondContact O-N 3.33Å
412	A	94.4	Very high	86.7	Confident	19 Å²	19	52.9 Å²	52.9	16%	0.157	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-44.3	179	0	0	0	0	0	112.4	A387 V390 A408 D409 R410 I414 I415 N416	A387-A412 HydrophobicContact CB-CB 4.25Å; V390-A412 HydrophobicContact CG2-CB 4.37Å; A408-A412 PolarHBondContact O-N 3.15Å; D409-A412 PolarHBondContact O-N 2.99Å; R410-A412 VanDerWaalsContact C-N 3.35Å; A412-I414 PolarHBondContact O-N 3.35Å; A412-I415 PolarHBondContact O-N 3.09Å; A412-N416 WeakPolarHBondContact O-CB 3.15Å; A412-N416 PolarHBondContact O-N 3.31Å; A412-N416 PolarHBondContact O-ND2 3.21Å
413	D	86.4	Confident	86.4	Confident	85 Å²	85	51.2 Å²	51.2	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-58.1	-49.3	176.4	-77.6	-15.2	0	0	0	111.8	D409 R410 I411 I415 N416 E417	D409-D413 PolarHBondContact O-N 3.2Å; R410-D413 PolarHBondContact O-N 3.43Å; I411-D413 PolarHBondContact O-N 2.83Å; D413-I415 VanDerWaalsContact C-N 3.31Å; D413-I415 PolarHBondContact O-N 3.2Å; D413-N416 PolarHBondContact O-N 3.23Å; D413-E417 WeakPolarHBondContact O-CB 3.25Å; D413-E417 VanDerWaalsContact O-CG 3.28Å; D413-E417 WeakPolarHBondContact O-CG 3.29Å; D413-E417 PolarHBondContact O-N 3.27Å
414	I	83.3	Confident	85.7	Confident	23 Å²	23	52.2 Å²	52.2	12%	0.118	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-40.5	-179.6	-70.7	167.9	0	0	0	110.9	I349 R410 I411 A412 N418	I349-I414 HydrophobicContact CD1-CB 4.41Å; I349-I414 HydrophobicContact CD1-CG2 3.9Å; I349-I414 HydrophobicContact CG1-CG2 4.44Å; I349-I414 HydrophobicContact CG2-CD1 3.66Å; R410-I414 HydrophobicContact CG-CD1 3.97Å; R410-I414 VanDerWaalsContact O-CG1 3.28Å; R410-I414 WeakPolarHBondContact O-CG1 3.44Å; R410-I414 PolarHBondContact O-N 3.5Å; I411-I414 PolarHBondContact O-N 2.85Å; A412-I414 PolarHBondContact O-N 3.35Å; I414-N418 WeakPolarHBondContact O-CB 3.49Å; I414-N418 PolarHBondContact O-N 3.05Å; I414-N418 PolarHBondContact O-ND2 2.91Å
415	I	93.2	Very high	84.6	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.5	-51.4	177.5	-68.3	171.4	0	0	0	110.4	I342 L345 I349 L386 A387 V390 I411 A412 D413 E417 N418 E419	I342-I415 HydrophobicContact CD1-CD1 3.63Å; L345-I415 HydrophobicContact CB-CD1 4.19Å; I349-I415 HydrophobicContact CD1-CD1 4.36Å; I349-I415 HydrophobicContact CD1-CG1 3.88Å; L386-I415 HydrophobicContact CB-CG2 4.28Å; L386-I415 HydrophobicContact CD2-CG2 3.91Å; L386-I415 HydrophobicContact CG-CG2 3.93Å; A387-I415 HydrophobicContact CB-CB 4.14Å; A387-I415 HydrophobicContact CB-CG2 3.93Å; V390-I415 HydrophobicContact CG2-CD1 3.88Å; I411-I415 HydrophobicContact CG2-CD1 3.86Å; I411-I415 VanDerWaalsContact O-CG1 3.31Å; I411-I415 WeakPolarHBondContact O-CG1 3.31Å; I411-I415 PolarHBondContact O-N 3.33Å; A412-I415 PolarHBondContact O-N 3.09Å; D413-I415 VanDerWaalsContact C-N 3.31Å; D413-I415 PolarHBondContact O-N 3.2Å; I415-E417 VanDerWaalsContact C-N 3.32Å; I415-E417 PolarHBondContact O-N 3.34Å; I415-N418 PolarHBondContact O-N 3.01Å; I415-E419 VanDerWaalsContact O-CB 3.3Å; I415-E419 WeakPolarHBondContact O-CB 3.19Å; I415-E419 PolarHBondContact O-N 3.29Å
416	N	91.8	Very high	83.8	Confident	64 Å²	64	48.7 Å²	48.7	34%	0.342	25%	0.254	S	S	.	.	H	α-helix	trans	-56.7	-44.8	-179.8	-84.6	-35.9	0	0	0	112.4	G384 A387 A412 D413 E419 G420	G384-N416 WeakPolarHBondContact CA-OD1 3.46Å; A387-N416 HydrophobicContact CB-CB 4.46Å; A387-N416 VanDerWaalsContact CB-CG 3.42Å; A387-N416 WeakPolarHBondContact CB-ND2 3.18Å; A387-N416 WeakPolarHBondContact CB-OD1 3.48Å; A412-N416 WeakPolarHBondContact O-CB 3.15Å; A412-N416 PolarHBondContact O-N 3.31Å; A412-N416 PolarHBondContact O-ND2 3.21Å; D413-N416 PolarHBondContact O-N 3.23Å; N416-E419 PolarHBondContact O-N 3.23Å; N416-G420 PolarHBondContact O-N 3.02Å
417	E	82.1	Confident	83.2	Confident	84 Å²	84	46.2 Å²	46.2	39%	0.393	25%	0.25	S	S	.	.	H	α-helix	trans	-61.8	-46.7	178.2	-78	-175.6	163.4	0	0	112.3	D413 I415 G420 H421 K775	D413-E417 WeakPolarHBondContact O-CB 3.25Å; D413-E417 VanDerWaalsContact O-CG 3.28Å; D413-E417 WeakPolarHBondContact O-CG 3.29Å; D413-E417 PolarHBondContact O-N 3.27Å; I415-E417 VanDerWaalsContact C-N 3.32Å; I415-E417 PolarHBondContact O-N 3.34Å; E417-G420 PolarHBondContact O-N 2.99Å; E417-H421 PolarHBondContact O-CD2 2.9Å; E417-H421 PolarHBondContact O-N 3.42Å; E417-H421 VanDerWaalsContact O-N 3.17Å; E417-K775 IonicContact OE1-NZ 2.84Å; E417-K775 WeakPolarHBondContact OE2-CE 3.4Å; E417-K775 IonicContact OE2-NZ 3.48Å; E417-K775 PolarHBondContact OE2-NZ 3.33Å
418	N	83.3	Confident	82.4	Confident	22 Å²	22	49.5 Å²	49.5	12%	0.118	26%	0.26	C	S	.	.	H	α-helix	trans	-69.5	-35.8	179.4	-83.1	-80.4	0	0	0	112.2	L368 I414 I415 F422	L368-N418 HydrophobicContact CD1-CB 3.54Å; L368-N418 HydrophobicContact CD2-CB 3.9Å; L368-N418 HydrophobicContact CG-CB 4.41Å; I414-N418 WeakPolarHBondContact O-CB 3.49Å; I414-N418 PolarHBondContact O-N 3.05Å; I414-N418 PolarHBondContact O-ND2 2.91Å; I415-N418 PolarHBondContact O-N 3.01Å; N418-F422 WeakPolarHBondContact O-CB 3.45Å; N418-F422 PolarHBondContact O-N 2.78Å
419	E	88.9	Confident	81.5	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-52.2	172.3	174.2	173.3	-176.2	0	0	110.7	V372 P383 G384 I415 N416 H421 F422 L423	V372-E419 HydrophobicContact CG1-CG 3.82Å; V372-E419 HydrophobicContact CG2-CB 3.87Å; V372-E419 HydrophobicContact CG2-CG 3.8Å; P383-E419 WeakPolarHBondContact CA-OE1 3.4Å; G384-E419 WeakPolarHBondContact CA-OE2 3.35Å; G384-E419 VanDerWaalsContact N-CD 3.33Å; G384-E419 PolarHBondContact N-OE1 3.05Å; G384-E419 PolarHBondContact N-OE2 3.34Å; I415-E419 VanDerWaalsContact O-CB 3.3Å; I415-E419 WeakPolarHBondContact O-CB 3.19Å; I415-E419 PolarHBondContact O-N 3.29Å; N416-E419 PolarHBondContact O-N 3.23Å; E419-H421 VanDerWaalsContact C-N 3.33Å; E419-H421 PolarHBondContact O-N 3.15Å; E419-F422 PolarHBondContact O-N 3.44Å; E419-L423 HydrophobicContact CG-CD1 3.77Å; E419-L423 HydrophobicContact CG-CG 4.18Å; E419-L423 WeakPolarHBondContact O-CG 3.27Å; E419-L423 PolarHBondContact O-N 3.28Å
420	G	79.8	Confident	81	Confident	42 Å²	42	43.2 Å²	43.2	43%	0.433	23%	0.226	S	C	.	.	H	α-helix	trans	-57.8	-43.7	179.2	0	0	0	0	0	112.7	N416 E417 S424	N416-G420 PolarHBondContact O-N 3.02Å; E417-G420 PolarHBondContact O-N 2.99Å; G420-S424 PolarHBondContact O-N 3.16Å
421	H	73	Confident	80.7	Confident	111 Å²	111	46.8 Å²	46.8	51%	0.514	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-44.4	173.7	-73.3	-56	0	0	0	112.2	E417 E419 S424 S425 K775	E417-H421 PolarHBondContact O-CD2 2.9Å; E417-H421 PolarHBondContact O-N 3.42Å; E417-H421 VanDerWaalsContact O-N 3.17Å; E419-H421 VanDerWaalsContact C-N 3.33Å; E419-H421 PolarHBondContact O-N 3.15Å; H421-S424 PolarHBondContact O-OG 2.74Å; H421-S425 PolarHBondContact O-N 3.34Å; H421-K775 PolarHBondContact NE2-NZ 3.29Å
422	F	80.8	Confident	80	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-68.5	-45	-178.1	175.9	-121.5	0	0	0	112.6	R369 V372 R373 N418 E419 S424 S425 L426 L463	R369-F422 HydrophobicContact CB-CD1 4.08Å; R369-F422 HydrophobicContact CB-CD2 4.14Å; R369-F422 HydrophobicContact CB-CE1 3.83Å; R369-F422 HydrophobicContact CB-CE2 3.9Å; R369-F422 HydrophobicContact CB-CG 4.23Å; R369-F422 HydrophobicContact CB-CZ 3.73Å; R369-F422 HydrophobicContact CG-CB 4.21Å; R369-F422 HydrophobicContact CG-CD1 3.93Å; R369-F422 HydrophobicContact CG-CD2 3.56Å; R369-F422 HydrophobicContact CG-CE1 4.16Å; R369-F422 HydrophobicContact CG-CE2 3.81Å; R369-F422 HydrophobicContact CG-CG 3.62Å; R369-F422 HydrophobicContact CG-CZ 4.1Å; R369-F422 VanDerWaalsContact O-CE1 3.22Å; R369-F422 WeakPolarHBondContact O-CE1 3.41Å; V372-F422 HydrophobicContact CB-CD1 3.93Å; V372-F422 HydrophobicContact CB-CE1 4.22Å; V372-F422 HydrophobicContact CG1-CD1 3.68Å; V372-F422 HydrophobicContact CG1-CE1 4.12Å; R373-F422 HydrophobicContact CB-CE1 4.5Å; N418-F422 WeakPolarHBondContact O-CB 3.45Å; N418-F422 PolarHBondContact O-N 2.78Å; E419-F422 PolarHBondContact O-N 3.44Å; F422-S424 PolarHBondContact O-N 2.93Å; F422-S425 CarbonylContact O-C 3.51Å; F422-S425 WeakPolarHBondContact O-CA 3.42Å; F422-S425 PolarHBondContact O-N 2.91Å; F422-L426 HydrophobicContact CE1-CB 4.37Å; F422-L426 HydrophobicContact CE1-CD1 4.49Å; F422-L426 HydrophobicContact CE1-CD2 4.02Å; F422-L426 HydrophobicContact CE2-CB 4.34Å; F422-L426 HydrophobicContact CE2-CD1 4.48Å; F422-L426 HydrophobicContact CZ-CB 4.18Å; F422-L426 HydrophobicContact CZ-CD1 3.91Å; F422-L426 HydrophobicContact CZ-CD2 4.26Å; F422-L426 HydrophobicContact CZ-CG 4.34Å; F422-L426 WeakPolarHBondContact O-CB 3.46Å; F422-L426 PolarHBondContact O-N 3.24Å; F422-L463 HydrophobicContact CE2-CD2 4.12Å; F422-L463 HydrophobicContact CZ-CD2 3.64Å
423	L	82.4	Confident	79.3	Confident	34 Å²	34	49 Å²	49	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-55.8	-39.6	179.6	-72.2	173	0	0	0	111.9	V372 A376 P383 E419 S425 L426 Q427	V372-L423 HydrophobicContact CG1-CD2 3.74Å; V372-L423 HydrophobicContact CG1-CG 4.01Å; A376-L423 HydrophobicContact CB-CD2 4.12Å; P383-L423 HydrophobicContact CB-CD1 3.92Å; P383-L423 HydrophobicContact CG-CD1 4.05Å; E419-L423 HydrophobicContact CG-CD1 3.77Å; E419-L423 HydrophobicContact CG-CG 4.18Å; E419-L423 WeakPolarHBondContact O-CG 3.27Å; E419-L423 PolarHBondContact O-N 3.28Å; L423-S425 VanDerWaalsContact C-N 3.28Å; L423-S425 PolarHBondContact O-N 3.5Å; L423-L426 HydrophobicContact CD2-CD2 4.43Å; L423-L426 PolarHBondContact O-N 3.45Å; L423-Q427 PolarHBondContact O-N 2.57Å
424	S	71.1	Confident	79	Confident	53 Å²	53	50.4 Å²	50.4	37%	0.371	25%	0.252	S	S	.	.	H	α-helix	trans	-63.4	-31.6	175.2	81.4	0	0	0	0	113.6	G420 H421 F422 R428	G420-S424 PolarHBondContact O-N 3.16Å; H421-S424 PolarHBondContact O-OG 2.74Å; F422-S424 PolarHBondContact O-N 2.93Å; S424-R428 PolarHBondContact O-NE 3.17Å
425	S	68.6	Low	78.9	Confident	19 Å²	19	57.2 Å²	57.2	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-86.8	-33.5	177.4	-67	0	0	0	0	112	H421 F422 L423 R428 G429	H421-S425 PolarHBondContact O-N 3.34Å; F422-S425 CarbonylContact O-C 3.51Å; F422-S425 WeakPolarHBondContact O-CA 3.42Å; F422-S425 PolarHBondContact O-N 2.91Å; L423-S425 VanDerWaalsContact C-N 3.28Å; L423-S425 PolarHBondContact O-N 3.5Å; S425-R428 PolarHBondContact O-N 2.81Å; S425-R428 VanDerWaalsContact O-N 3.15Å; S425-R428 PolarHBondContact OG-NH2 2.94Å; S425-G429 PolarHBondContact O-N 3.29Å
426	L	74.4	Confident	78.2	Confident	9 Å²	9	58 Å²	58	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-57	-51.7	176.3	-176.7	58.6	0	0	0	110.4	F422 L423 R428 G429 S430 F459	F422-L426 HydrophobicContact CE1-CB 4.37Å; F422-L426 HydrophobicContact CE1-CD1 4.49Å; F422-L426 HydrophobicContact CE1-CD2 4.02Å; F422-L426 HydrophobicContact CE2-CB 4.34Å; F422-L426 HydrophobicContact CE2-CD1 4.48Å; F422-L426 HydrophobicContact CZ-CB 4.18Å; F422-L426 HydrophobicContact CZ-CD1 3.91Å; F422-L426 HydrophobicContact CZ-CD2 4.26Å; F422-L426 HydrophobicContact CZ-CG 4.34Å; F422-L426 WeakPolarHBondContact O-CB 3.46Å; F422-L426 PolarHBondContact O-N 3.24Å; L423-L426 HydrophobicContact CD2-CD2 4.43Å; L423-L426 PolarHBondContact O-N 3.45Å; L426-R428 PolarHBondContact O-N 2.99Å; L426-G429 PolarHBondContact O-N 3.18Å; L426-G429 VanDerWaalsContact O-N 3.16Å; L426-S430 WeakPolarHBondContact O-CB 3.22Å; L426-S430 PolarHBondContact O-N 3.21Å; L426-S430 PolarHBondContact O-OG 2.83Å; L426-S430 VanDerWaalsContact O-OG 3.1Å; L426-F459 HydrophobicContact CD1-CE2 3.94Å; L426-F459 HydrophobicContact CD1-CZ 3.63Å
427	Q	73.5	Confident	77.8	Confident	127 Å²	127	55.9 Å²	55.9	59%	0.593	27%	0.271	S	S	*	.	H	α-helix	trans	-58.6	-32.5	177.8	-70.2	179.2	-10.1	0	0	113.7	L423 R431	L423-Q427 PolarHBondContact O-N 2.57Å; Q427-R431 WeakPolarHBondContact O-CG 3.42Å; Q427-R431 PolarHBondContact O-NE 3.32Å
428	R	69.2	Low	77.7	Confident	124 Å²	124	58.5 Å²	58.5	47%	0.468	29%	0.287	S	S	.	.	H	α-helix	trans	-77.7	-43.6	177.3	-71.6	-178.1	-75.3	176.3	1.7	111.1	S424 S425 L426 L432	S424-R428 PolarHBondContact O-NE 3.17Å; S425-R428 PolarHBondContact O-N 2.81Å; S425-R428 VanDerWaalsContact O-N 3.15Å; S425-R428 PolarHBondContact OG-NH2 2.94Å; L426-R428 PolarHBondContact O-N 2.99Å; R428-L432 PolarHBondContact O-N 3.08Å; R428-L432 VanDerWaalsContact O-N 3.12Å
429	G	72.6	Confident	77.4	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-49.8	177.6	0	0	0	0	0	112.7	S425 L426 R431 L432 I433	S425-G429 PolarHBondContact O-N 3.29Å; L426-G429 PolarHBondContact O-N 3.18Å; L426-G429 VanDerWaalsContact O-N 3.16Å; G429-R431 VanDerWaalsContact C-N 3.32Å; G429-R431 PolarHBondContact O-N 3.37Å; G429-L432 WeakPolarHBondContact O-CB 3.45Å; G429-L432 PolarHBondContact O-N 2.93Å; G429-I433 WeakPolarHBondContact O-CG1 3.46Å; G429-I433 PolarHBondContact O-N 2.8Å
430	S	76.6	Confident	76.6	Confident	24 Å²	24	70.2 Å²	70.2	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-40.6	178.3	-56.6	0	0	0	0	112.1	L426 L432 I433 Q434 M467	L426-S430 WeakPolarHBondContact O-CB 3.22Å; L426-S430 PolarHBondContact O-N 3.21Å; L426-S430 PolarHBondContact O-OG 2.83Å; L426-S430 VanDerWaalsContact O-OG 3.1Å; S430-L432 PolarHBondContact O-N 2.91Å; S430-I433 PolarHBondContact O-N 2.93Å; S430-Q434 VanDerWaalsContact O-CB 3.3Å; S430-Q434 WeakPolarHBondContact O-CB 3.45Å; S430-Q434 PolarHBondContact O-N 2.89Å; S430-M467 WeakPolarHBondContact OG-CE 3.5Å
431	R	77.6	Confident	76.1	Confident	132 Å²	132	70.7 Å²	70.7	50%	0.498	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-39.5	173.6	-80.3	-175.5	-77.7	173.7	-9.5	112.6	Q427 G429 R435	Q427-R431 WeakPolarHBondContact O-CG 3.42Å; Q427-R431 PolarHBondContact O-NE 3.32Å; G429-R431 VanDerWaalsContact C-N 3.32Å; G429-R431 PolarHBondContact O-N 3.37Å; R431-R435 WeakPolarHBondContact O-CB 3.26Å; R431-R435 VanDerWaalsContact O-CG 3.27Å; R431-R435 WeakPolarHBondContact O-CG 3.5Å; R431-R435 PolarHBondContact O-N 3.27Å
432	L	76.4	Confident	75.9	Confident	66 Å²	66	72 Å²	72	35%	0.346	36%	0.361	S	S	.	.	H	α-helix	trans	-69.7	-45.1	177.9	-174.3	62.6	0	0	0	111.3	R428 G429 S430 Q434 R435 T436 L453	R428-L432 PolarHBondContact O-N 3.08Å; R428-L432 VanDerWaalsContact O-N 3.12Å; G429-L432 WeakPolarHBondContact O-CB 3.45Å; G429-L432 PolarHBondContact O-N 2.93Å; S430-L432 PolarHBondContact O-N 2.91Å; L432-Q434 PolarHBondContact O-N 2.71Å; L432-R435 PolarHBondContact O-N 2.79Å; L432-T436 WeakPolarHBondContact O-CB 3.41Å; L432-T436 PolarHBondContact O-N 3.22Å; L432-T436 PolarHBondContact O-OG1 3.05Å; L432-L453 HydrophobicContact CB-CD2 4.44Å; L432-L453 HydrophobicContact CD2-CD2 3.83Å; L432-L453 HydrophobicContact CD2-CG 4.13Å
433	I	79.9	Confident	75.5	Confident	1 Å²	1	73 Å²	73	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-57.2	-50.7	175.2	-68	169.3	0	0	0	109.6	G429 S430 R435 T436 C437 F445 L453 F459 M467 L468	G429-I433 WeakPolarHBondContact O-CG1 3.46Å; G429-I433 PolarHBondContact O-N 2.8Å; S430-I433 PolarHBondContact O-N 2.93Å; I433-R435 PolarHBondContact O-N 2.71Å; I433-T436 PolarHBondContact O-N 2.92Å; I433-T436 VanDerWaalsContact O-N 3.15Å; I433-C437 PolarHBondContact O-N 3.02Å; I433-C437 PolarHBondContact O-SG 3.45Å; I433-F445 HydrophobicContact CB-CE2 4.43Å; I433-F445 HydrophobicContact CG1-CE2 4.49Å; I433-F445 HydrophobicContact CG1-CZ 4.17Å; I433-F445 HydrophobicContact CG2-CE2 4.08Å; I433-L453 HydrophobicContact CD1-CD1 4.13Å; I433-L453 HydrophobicContact CG1-CD1 3.63Å; I433-F459 HydrophobicContact CD1-CE1 4.09Å; I433-F459 HydrophobicContact CD1-CZ 4.4Å; I433-M467 HydrophobicContact CD1-CE 3.81Å; I433-M467 HydrophobicContact CD1-SD 3.81Å; I433-L468 HydrophobicContact CG2-CD2 4.14Å
434	Q	80.9	Confident	75.4	Confident	113 Å²	113	75.4 Å²	75.4	53%	0.528	39%	0.391	S	S	.	.	H	α-helix	trans	-59	-46	179.3	-171	179.2	11.5	0	0	112.3	S430 L432 T436 C437 L438	S430-Q434 VanDerWaalsContact O-CB 3.3Å; S430-Q434 WeakPolarHBondContact O-CB 3.45Å; S430-Q434 PolarHBondContact O-N 2.89Å; L432-Q434 PolarHBondContact O-N 2.71Å; Q434-T436 VanDerWaalsContact C-N 3.34Å; Q434-T436 PolarHBondContact O-N 3.43Å; Q434-C437 PolarHBondContact O-N 3.34Å; Q434-L438 HydrophobicContact CG-CD1 4.36Å; Q434-L438 WeakPolarHBondContact O-CB 3.47Å; Q434-L438 VanDerWaalsContact O-CG 3.26Å; Q434-L438 WeakPolarHBondContact O-CG 3.34Å; Q434-L438 PolarHBondContact O-N 2.84Å
435	R	80.7	Confident	76.1	Confident	167 Å²	167	72.9 Å²	72.9	63%	0.63	37%	0.373	S	S	*	.	H	α-helix	trans	-62.3	-39.8	175.9	-77.1	175.7	-178.2	179.3	-0.8	112.5	R431 L432 I433 R439	R431-R435 WeakPolarHBondContact O-CB 3.26Å; R431-R435 VanDerWaalsContact O-CG 3.27Å; R431-R435 WeakPolarHBondContact O-CG 3.5Å; R431-R435 PolarHBondContact O-N 3.27Å; L432-R435 PolarHBondContact O-N 2.79Å; I433-R435 PolarHBondContact O-N 2.71Å; R435-R439 WeakPolarHBondContact O-CG 3.19Å; R435-R439 PolarHBondContact O-N 3.39Å; R435-R439 VanDerWaalsContact O-N 3.11Å
436	T	79.3	Confident	76.8	Confident	16 Å²	16	74.3 Å²	74.3	10%	0.098	38%	0.382	C	S	.	.	H	α-helix	trans	-68.2	-46.8	178.3	-58.6	0	0	0	0	110.3	L432 I433 Q434 L438 R439 T440 F445 P446 V449	L432-T436 WeakPolarHBondContact O-CB 3.41Å; L432-T436 PolarHBondContact O-N 3.22Å; L432-T436 PolarHBondContact O-OG1 3.05Å; I433-T436 PolarHBondContact O-N 2.92Å; I433-T436 VanDerWaalsContact O-N 3.15Å; Q434-T436 VanDerWaalsContact C-N 3.34Å; Q434-T436 PolarHBondContact O-N 3.43Å; T436-L438 VanDerWaalsContact C-N 3.3Å; T436-L438 PolarHBondContact O-N 2.72Å; T436-R439 CarbonylContact O-C 3.56Å; T436-R439 PolarHBondContact O-N 2.66Å; T436-T440 PolarHBondContact O-N 3.12Å; T436-T440 PolarHBondContact O-OG1 3.17Å; T436-F445 HydrophobicContact CG2-CD2 4.08Å; T436-F445 HydrophobicContact CG2-CE2 3.64Å; T436-F445 HydrophobicContact CG2-CZ 4Å; T436-P446 HydrophobicContact CG2-CG 4.19Å; T436-V449 HydrophobicContact CG2-CG1 4.32Å; T436-V449 HydrophobicContact CG2-CG2 4.46Å
437	C	81.9	Confident	77.2	Confident	20 Å²	20	74 Å²	74	14%	0.135	38%	0.381	C	S	.	.	H	α-helix	trans	-55.3	-45	174.3	-66.1	0	0	0	0	111.7	I433 Q434 R439 T440 G441 I473	I433-C437 PolarHBondContact O-N 3.02Å; I433-C437 PolarHBondContact O-SG 3.45Å; Q434-C437 PolarHBondContact O-N 3.34Å; C437-R439 VanDerWaalsContact C-N 3.27Å; C437-R439 PolarHBondContact O-N 3.06Å; C437-T440 PolarHBondContact O-N 3.02Å; C437-G441 PolarHBondContact O-N 3.01Å; C437-G441 VanDerWaalsContact O-N 3.13Å; C437-I473 HydrophobicContact CB-CD1 4.07Å
438	L	80.2	Confident	77.4	Confident	138 Å²	138	71.1 Å²	71.1	72%	0.723	38%	0.379	S	S	*	.	H	α-helix	trans	-61.4	-32	175.6	-71.4	169.2	0	0	0	113.5	Q434 T436	Q434-L438 HydrophobicContact CG-CD1 4.36Å; Q434-L438 WeakPolarHBondContact O-CB 3.47Å; Q434-L438 VanDerWaalsContact O-CG 3.26Å; Q434-L438 WeakPolarHBondContact O-CG 3.34Å; Q434-L438 PolarHBondContact O-N 2.84Å; T436-L438 VanDerWaalsContact C-N 3.3Å; T436-L438 PolarHBondContact O-N 2.72Å
439	R	78.8	Confident	77.8	Confident	226 Å²	226	67.1 Å²	67.1	85%	0.853	37%	0.368	S	S	*	.	H	α-helix	trans	-82.5	-29.1	178.1	-73.5	177.4	70.5	-178.9	3.3	113.7	R435 T436 C437	R435-R439 WeakPolarHBondContact O-CG 3.19Å; R435-R439 PolarHBondContact O-N 3.39Å; R435-R439 VanDerWaalsContact O-N 3.11Å; T436-R439 CarbonylContact O-C 3.56Å; T436-R439 PolarHBondContact O-N 2.66Å; C437-R439 VanDerWaalsContact C-N 3.27Å; C437-R439 PolarHBondContact O-N 3.06Å
440	T	70.7	Confident	78.1	Confident	48 Å²	48	67.1 Å²	67.1	29%	0.294	37%	0.368	S	S	.	.	H	α-helix	trans	-91	-13.7	-174.1	-27.2	0	0	0	0	112	T436 C437 S442 G443 P446	T436-T440 PolarHBondContact O-N 3.12Å; T436-T440 PolarHBondContact O-OG1 3.17Å; C437-T440 PolarHBondContact O-N 3.02Å; T440-S442 PolarHBondContact O-N 3.36Å; T440-G443 PolarHBondContact O-N 2.94Å; T440-G443 VanDerWaalsContact O-N 3.16Å; T440-P446 HydrophobicContact CG2-CG 4.35Å
441	G	69.1	Low	78.1	Confident	52 Å²	52	67.5 Å²	67.5	54%	0.536	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	-126.9	178.2	0	0	0	0	0	111.5	C437	C437-G441 PolarHBondContact O-N 3.01Å; C437-G441 VanDerWaalsContact O-N 3.13Å
442	S	69.1	Low	77.8	Confident	138 Å²	138	63.9 Å²	63.9	97%	0.965	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	3.2	176.4	44.2	0	0	0	0	114.5	T440	T440-S442 PolarHBondContact O-N 3.36Å
443	G	72.9	Confident	77.4	Confident	26 Å²	26	60.8 Å²	60.8	27%	0.268	35%	0.345	S	S	.	.	S	Bend	trans	-77.2	164.1	177.6	0	0	0	0	0	114	T440	T440-G443 PolarHBondContact O-N 2.94Å; T440-G443 VanDerWaalsContact O-N 3.16Å
444	P	80.3	Confident	76.8	Confident	84 Å²	84	62.9 Å²	62.9	55%	0.545	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-63.5	148.3	176.1	27.7	-34	0	0	0	111.4	Q474	P444-Q474 CarbonylContact C-O 3.57Å; P444-Q474 WeakPolarHBondContact CA-O 3.43Å
445	F	84.7	Confident	76.1	Confident	1 Å²	1	65.8 Å²	65.8	0%	0.004	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-66.9	130.7	178.6	-169.3	-89.4	0	0	0	110.3	I433 T436 A447 V449 A450 L453 V464 L468 I473 Q474 V475 D476	I433-F445 HydrophobicContact CB-CE2 4.43Å; I433-F445 HydrophobicContact CG1-CE2 4.49Å; I433-F445 HydrophobicContact CG1-CZ 4.17Å; I433-F445 HydrophobicContact CG2-CE2 4.08Å; T436-F445 HydrophobicContact CG2-CD2 4.08Å; T436-F445 HydrophobicContact CG2-CE2 3.64Å; T436-F445 HydrophobicContact CG2-CZ 4Å; F445-A447 PolarHBondContact O-N 3.43Å; F445-V449 HydrophobicContact CE1-CB 3.98Å; F445-V449 HydrophobicContact CE1-CG1 3.91Å; F445-V449 HydrophobicContact CZ-CB 4.31Å; F445-V449 HydrophobicContact CZ-CG1 3.79Å; F445-A450 HydrophobicContact CD1-CB 4.21Å; F445-A450 HydrophobicContact CE1-CB 4.05Å; F445-L453 HydrophobicContact CE1-CD1 4.46Å; F445-L453 HydrophobicContact CZ-CD1 4.24Å; F445-V464 HydrophobicContact CE1-CG1 4.38Å; F445-L468 HydrophobicContact CB-CD1 3.58Å; F445-L468 HydrophobicContact CB-CD2 4.04Å; F445-L468 HydrophobicContact CB-CG 4.47Å; F445-L468 HydrophobicContact CD1-CD1 3.93Å; F445-L468 HydrophobicContact CD2-CD1 4.17Å; F445-L468 HydrophobicContact CD2-CD2 3.49Å; F445-L468 VanDerWaalsContact CD2-CD2 3.49Å; F445-L468 HydrophobicContact CD2-CG 4.47Å; F445-L468 HydrophobicContact CE2-CD2 4.04Å; F445-L468 HydrophobicContact CG-CD1 3.64Å; F445-L468 HydrophobicContact CG-CD2 3.84Å; F445-L468 HydrophobicContact CG-CG 4.41Å; F445-I473 HydrophobicContact CB-CG2 4.08Å; F445-Q474 PolarHBondContact N-O 3.46Å; F445-V475 HydrophobicContact CB-CG2 4.35Å; F445-V475 HydrophobicContact CD1-CG2 4.11Å; F445-V475 WeakPolarHBondContact O-CG2 3.26Å; F445-D476 PolarHBondContact O-N 3.4Å
446	P	83.3	Confident	75	Confident	48 Å²	48	61.3 Å²	61.3	31%	0.312	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-63	122.4	-175.4	-23.6	33.4	0	0	0	113.2	T436 T440 A448 V449 A450	T436-P446 HydrophobicContact CG2-CG 4.19Å; T440-P446 HydrophobicContact CG2-CG 4.35Å; P446-A448 VanDerWaalsContact C-N 3.27Å; P446-A448 PolarHBondContact O-N 2.95Å; P446-V449 HydrophobicContact CB-CB 4.31Å; P446-V449 HydrophobicContact CB-CG2 3.94Å; P446-V449 HydrophobicContact CG-CG2 4.39Å; P446-V449 WeakPolarHBondContact O-CB 3.36Å; P446-V449 PolarHBondContact O-N 2.98Å; P446-A450 PolarHBondContact O-N 2.92Å; P446-A450 VanDerWaalsContact O-N 3.16Å
447	A	83.6	Confident	73.9	Confident	4 Å²	4	62.8 Å²	62.8	3%	0.033	37%	0.366	C	S	.	.	H	α-helix	trans	-56.4	-38.3	178.8	0	0	0	0	0	113	F445 V449 A450 W451 D476 E479 L480	F445-A447 PolarHBondContact O-N 3.43Å; A447-V449 VanDerWaalsContact C-N 3.27Å; A447-V449 PolarHBondContact O-N 3.48Å; A447-A450 PolarHBondContact O-N 3.36Å; A447-W451 VanDerWaalsContact O-CB 3.3Å; A447-W451 WeakPolarHBondContact O-CB 3.31Å; A447-W451 PolarHBondContact O-N 3.48Å; A447-D476 HydrophobicContact CB-CB 4.33Å; A447-E479 HydrophobicContact CB-CB 3.77Å; A447-E479 HydrophobicContact CB-CG 3.79Å; A447-L480 HydrophobicContact CB-CB 4Å
448	A	77.1	Confident	72.6	Confident	66 Å²	66	62.5 Å²	62.5	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-62	-32.5	176.5	0	0	0	0	0	113.2	P446 S452	P446-A448 VanDerWaalsContact C-N 3.27Å; P446-A448 PolarHBondContact O-N 2.95Å; A448-S452 VanDerWaalsContact O-CB 3.22Å; A448-S452 WeakPolarHBondContact O-CB 3.48Å; A448-S452 PolarHBondContact O-N 2.95Å
449	V	78.9	Confident	71.9	Confident	39 Å²	39	56 Å²	56	24%	0.236	33%	0.333	C	S	.	.	H	α-helix	trans	-75.8	-41.7	176.6	179	0	0	0	0	110.2	T436 F445 P446 A447 W451 S452 L453	T436-V449 HydrophobicContact CG2-CG1 4.32Å; T436-V449 HydrophobicContact CG2-CG2 4.46Å; F445-V449 HydrophobicContact CE1-CB 3.98Å; F445-V449 HydrophobicContact CE1-CG1 3.91Å; F445-V449 HydrophobicContact CZ-CB 4.31Å; F445-V449 HydrophobicContact CZ-CG1 3.79Å; P446-V449 HydrophobicContact CB-CB 4.31Å; P446-V449 HydrophobicContact CB-CG2 3.94Å; P446-V449 HydrophobicContact CG-CG2 4.39Å; P446-V449 WeakPolarHBondContact O-CB 3.36Å; P446-V449 PolarHBondContact O-N 2.98Å; A447-V449 VanDerWaalsContact C-N 3.27Å; A447-V449 PolarHBondContact O-N 3.48Å; V449-W451 VanDerWaalsContact C-N 3.34Å; V449-S452 PolarHBondContact O-N 3.28Å; V449-L453 HydrophobicContact CG1-CD1 4.29Å; V449-L453 WeakPolarHBondContact O-CB 3.43Å; V449-L453 WeakPolarHBondContact O-CG 3.48Å; V449-L453 PolarHBondContact O-N 3.43Å
450	A	78.6	Confident	71.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-44.1	173.4	0	0	0	0	0	111.3	F445 P446 A447 L453 H454 L461 V464 V475	F445-A450 HydrophobicContact CD1-CB 4.21Å; F445-A450 HydrophobicContact CE1-CB 4.05Å; P446-A450 PolarHBondContact O-N 2.92Å; P446-A450 VanDerWaalsContact O-N 3.16Å; A447-A450 PolarHBondContact O-N 3.36Å; A450-L453 WeakPolarHBondContact O-CB 3.26Å; A450-L453 PolarHBondContact O-N 2.88Å; A450-H454 WeakPolarHBondContact O-CB 3.4Å; A450-H454 PolarHBondContact O-N 3.09Å; A450-L461 HydrophobicContact CB-CD2 4.13Å; A450-L461 WeakPolarHBondContact O-CD2 3.37Å; A450-V464 HydrophobicContact CB-CG1 4.14Å; A450-V475 HydrophobicContact CB-CG2 3.88Å
451	W	76.9	Confident	70.9	Confident	32 Å²	32	44.3 Å²	44.3	12%	0.121	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-39.5	175.2	-173.1	-120.3	0	0	0	112.8	A447 V449 H454 R455 L461 L480 L483 V484 E487	A447-W451 VanDerWaalsContact O-CB 3.3Å; A447-W451 WeakPolarHBondContact O-CB 3.31Å; A447-W451 PolarHBondContact O-N 3.48Å; V449-W451 VanDerWaalsContact C-N 3.34Å; W451-H454 HydrophobicContact CE3-CB 4.49Å; W451-H454 AromaticContact CZ3-CD2 3.68Å; W451-H454 WeakPolarHBondContact O-CB 3.32Å; W451-H454 PolarHBondContact O-N 3.3Å; W451-R455 WeakPolarHBondContact O-CB 3.28Å; W451-R455 PolarHBondContact O-N 3.3Å; W451-L461 HydrophobicContact CE3-CD1 4.21Å; W451-L461 HydrophobicContact CZ3-CD1 4.24Å; W451-L480 HydrophobicContact CB-CD1 4.29Å; W451-L480 HydrophobicContact CE3-CD1 4.35Å; W451-L483 HydrophobicContact CB-CD1 3.83Å; W451-L483 HydrophobicContact CD2-CB 4.13Å; W451-L483 HydrophobicContact CG-CB 4.12Å; W451-L483 HydrophobicContact CG-CD1 3.97Å; W451-V484 HydrophobicContact CE3-CG2 4.12Å; W451-V484 HydrophobicContact CH2-CG2 4.22Å; W451-V484 HydrophobicContact CZ3-CB 4.46Å; W451-V484 HydrophobicContact CZ3-CG2 3.58Å; W451-E487 HydrophobicContact CH2-CB 4.35Å; W451-E487 HydrophobicContact CH2-CG 4.48Å; W451-E487 HydrophobicContact CZ2-CB 4.04Å; W451-E487 HydrophobicContact CZ2-CG 4.24Å
452	S	70.2	Confident	70.5	Confident	57 Å²	57	43.6 Å²	43.6	40%	0.399	27%	0.269	S	S	.	.	H	α-helix	trans	-66.7	-42.8	175.2	-176	0	0	0	0	112.1	A448 V449 H454 R455 A456	A448-S452 VanDerWaalsContact O-CB 3.22Å; A448-S452 WeakPolarHBondContact O-CB 3.48Å; A448-S452 PolarHBondContact O-N 2.95Å; V449-S452 PolarHBondContact O-N 3.28Å; S452-H454 PolarHBondContact O-N 3.02Å; S452-R455 PolarHBondContact O-N 3.5Å; S452-A456 VanDerWaalsContact O-CB 3.25Å; S452-A456 WeakPolarHBondContact O-CB 3.15Å; S452-A456 PolarHBondContact O-N 2.91Å
453	L	69.3	Low	70.4	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-54.8	-44.4	170.9	-80.5	164.8	0	0	0	110.3	L432 I433 F445 V449 A450 L457 G458 F459 V464	L432-L453 HydrophobicContact CB-CD2 4.44Å; L432-L453 HydrophobicContact CD2-CD2 3.83Å; L432-L453 HydrophobicContact CD2-CG 4.13Å; I433-L453 HydrophobicContact CD1-CD1 4.13Å; I433-L453 HydrophobicContact CG1-CD1 3.63Å; F445-L453 HydrophobicContact CE1-CD1 4.46Å; F445-L453 HydrophobicContact CZ-CD1 4.24Å; V449-L453 HydrophobicContact CG1-CD1 4.29Å; V449-L453 WeakPolarHBondContact O-CB 3.43Å; V449-L453 WeakPolarHBondContact O-CG 3.48Å; V449-L453 PolarHBondContact O-N 3.43Å; A450-L453 WeakPolarHBondContact O-CB 3.26Å; A450-L453 PolarHBondContact O-N 2.88Å; L453-L457 HydrophobicContact CD2-CD1 3.94Å; L453-L457 CarbonylContact O-C 3.5Å; L453-L457 WeakPolarHBondContact O-CA 3.12Å; L453-L457 WeakPolarHBondContact O-CB 3.38Å; L453-L457 PolarHBondContact O-N 2.93Å; L453-G458 PolarHBondContact O-N 3.04Å; L453-F459 HydrophobicContact CB-CB 3.94Å; L453-F459 VanDerWaalsContact O-CB 3.31Å; L453-F459 WeakPolarHBondContact O-CB 3.36Å; L453-F459 PolarHBondContact O-N 3.3Å; L453-V464 HydrophobicContact CD1-CG2 4.34Å
454	H	67.1	Low	70.5	Confident	44 Å²	44	36.1 Å²	36.1	20%	0.204	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-52.5	176.6	-173.4	67.1	0	0	0	113.7	A450 W451 S452 G458 F459 L461	A450-H454 WeakPolarHBondContact O-CB 3.4Å; A450-H454 PolarHBondContact O-N 3.09Å; W451-H454 HydrophobicContact CE3-CB 4.49Å; W451-H454 AromaticContact CZ3-CD2 3.68Å; W451-H454 WeakPolarHBondContact O-CB 3.32Å; W451-H454 PolarHBondContact O-N 3.3Å; S452-H454 PolarHBondContact O-N 3.02Å; H454-G458 CarbonylContact O-C 3.58Å; H454-G458 WeakPolarHBondContact O-CA 2.98Å; H454-G458 PolarHBondContact O-N 2.91Å; H454-G458 VanDerWaalsContact O-N 3.15Å; H454-F459 WeakPolarHBondContact CA-O 3.49Å; H454-F459 PolarHBondContact ND1-O 3.31Å; H454-L461 HydrophobicContact CB-CD2 3.77Å; H454-L461 HydrophobicContact CB-CG 3.93Å
455	R	64.6	Low	70.1	Confident	174 Å²	174	34.1 Å²	34.1	66%	0.657	20%	0.197	S	C	*	.	H	α-helix	trans	-76	-45.1	-173.5	-165	-177.2	71.4	-177.9	0.7	113.2	W451 S452	W451-R455 WeakPolarHBondContact O-CB 3.28Å; W451-R455 PolarHBondContact O-N 3.3Å; S452-R455 PolarHBondContact O-N 3.5Å
456	A	58.2	Low	69.3	Low	74 Å²	74	34.8 Å²	34.8	61%	0.612	20%	0.201	S	C	*	.	H	α-helix	trans	-89	-38.1	-171	0	0	0	0	0	113.1	S452	S452-A456 VanDerWaalsContact O-CB 3.25Å; S452-A456 WeakPolarHBondContact O-CB 3.15Å; S452-A456 PolarHBondContact O-N 2.91Å
457	L	56.8	Low	69	Low	47 Å²	47	32.6 Å²	32.6	25%	0.246	19%	0.186	C	C	.	.	H	α-helix	trans	-104.5	-2	-178.8	-65.6	172.9	0	0	0	112.4	L453 F459	L453-L457 HydrophobicContact CD2-CD1 3.94Å; L453-L457 CarbonylContact O-C 3.5Å; L453-L457 WeakPolarHBondContact O-CA 3.12Å; L453-L457 WeakPolarHBondContact O-CB 3.38Å; L453-L457 PolarHBondContact O-N 2.93Å; L457-F459 PolarHBondContact O-N 3.34Å
458	G	54.6	Low	68.8	Low	14 Å²	14	32.5 Å²	32.5	14%	0.144	19%	0.185	C	C	.	.			trans	65.9	21.6	-177.6	0	0	0	0	0	112.2	R369 L453 H454	R369-G458 PolarHBondContact NH1-O 2.83Å; R369-G458 PolarHBondContact NH2-O 3.47Å; L453-G458 PolarHBondContact O-N 3.04Å; H454-G458 CarbonylContact O-C 3.58Å; H454-G458 WeakPolarHBondContact O-CA 2.98Å; H454-G458 PolarHBondContact O-N 2.91Å; H454-G458 VanDerWaalsContact O-N 3.15Å
459	F	64.3	Low	68.7	Low	1 Å²	1	33 Å²	33	0%	0.004	18%	0.176	C	C	.	.			trans	-74	122.2	-174.5	-141.5	-91.4	0	0	0	110.1	L426 I433 L453 H454 L457 L461 L463 V464 M467	L426-F459 HydrophobicContact CD1-CE2 3.94Å; L426-F459 HydrophobicContact CD1-CZ 3.63Å; I433-F459 HydrophobicContact CD1-CE1 4.09Å; I433-F459 HydrophobicContact CD1-CZ 4.4Å; L453-F459 HydrophobicContact CB-CB 3.94Å; L453-F459 VanDerWaalsContact O-CB 3.31Å; L453-F459 WeakPolarHBondContact O-CB 3.36Å; L453-F459 PolarHBondContact O-N 3.3Å; H454-F459 WeakPolarHBondContact CA-O 3.49Å; H454-F459 PolarHBondContact ND1-O 3.31Å; L457-F459 PolarHBondContact O-N 3.34Å; F459-L461 PolarHBondContact O-N 2.99Å; F459-L463 HydrophobicContact CD1-CB 4.46Å; F459-L463 HydrophobicContact CD1-CD2 4.13Å; F459-L463 HydrophobicContact CD1-CG 4.49Å; F459-L463 HydrophobicContact CE1-CB 4.34Å; F459-L463 HydrophobicContact CE1-CD2 3.61Å; F459-L463 HydrophobicContact CE1-CG 3.92Å; F459-L463 HydrophobicContact CZ-CD2 3.98Å; F459-V464 HydrophobicContact CD1-CG2 3.64Å; F459-V464 HydrophobicContact CE1-CG2 4.26Å; F459-M467 HydrophobicContact CE1-SD 3.62Å; F459-M467 HydrophobicContact CZ-SD 3.78Å
460	P	61.9	Low	68.3	Low	3 Å²	3	35 Å²	35	2%	0.019	18%	0.183	C	C	.	.			trans	-60.2	134.7	-179.1	-19.7	31.2	0	0	0	111.4	R366 R369 D462 L463 V464	R366-P460 HydrophobicContact CG-CB 4.2Å; R366-P460 HydrophobicContact CG-CG 4.47Å; R369-P460 HydrophobicContact CB-CG 4.36Å; P460-D462 VanDerWaalsContact C-N 3.32Å; P460-D462 WeakPolarHBondContact CB-OD1 3.35Å; P460-L463 HydrophobicContact CB-CB 3.89Å; P460-L463 HydrophobicContact CG-CB 4.22Å; P460-L463 VanDerWaalsContact O-CB 3.31Å; P460-L463 WeakPolarHBondContact O-CB 3.36Å; P460-L463 PolarHBondContact O-N 3.32Å; P460-L463 VanDerWaalsContact O-N 3.09Å; P460-V464 PolarHBondContact O-N 2.93Å
461	L	66.9	Low	68.2	Low	25 Å²	25	41 Å²	41	13%	0.131	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-39.4	-178.9	-72.2	173.4	0	0	0	111.2	A450 W451 H454 F459 L463 V464 D465 L480 V484	A450-L461 HydrophobicContact CB-CD2 4.13Å; A450-L461 WeakPolarHBondContact O-CD2 3.37Å; W451-L461 HydrophobicContact CE3-CD1 4.21Å; W451-L461 HydrophobicContact CZ3-CD1 4.24Å; H454-L461 HydrophobicContact CB-CD2 3.77Å; H454-L461 HydrophobicContact CB-CG 3.93Å; F459-L461 PolarHBondContact O-N 2.99Å; L461-L463 PolarHBondContact O-N 2.98Å; L461-V464 CarbonylContact O-C 3.41Å; L461-V464 WeakPolarHBondContact O-CA 3.11Å; L461-V464 WeakPolarHBondContact O-CB 3.46Å; L461-V464 PolarHBondContact O-N 3.47Å; L461-D465 PolarHBondContact O-N 3.32Å; L461-L480 HydrophobicContact CD1-CD1 4.09Å; L461-L480 HydrophobicContact CD1-CD2 4.31Å; L461-L480 HydrophobicContact CD1-CG 4.42Å; L461-L480 HydrophobicContact CD2-CD1 3.99Å; L461-L480 HydrophobicContact CD2-CD2 4.31Å; L461-V484 HydrophobicContact CD1-CG2 4.26Å
462	D	61.9	Low	68.1	Low	38 Å²	38	42.8 Å²	42.8	20%	0.203	23%	0.234	C	C	.	.	H	α-helix	trans	-55	-35.9	170.7	54.9	-53.2	0	0	0	112.4	P460 L466	P460-D462 VanDerWaalsContact C-N 3.32Å; P460-D462 WeakPolarHBondContact CB-OD1 3.35Å; D462-L466 WeakPolarHBondContact O-CB 3.48Å; D462-L466 PolarHBondContact O-N 3.24Å
463	L	67.2	Low	68.7	Low	6 Å²	6	41.8 Å²	41.8	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-73.6	-38.1	175.6	-169.7	68.1	0	0	0	112	R373 F422 F459 P460 L461 M467	R373-L463 VanDerWaalsContact CD-CD1 3.46Å; F422-L463 HydrophobicContact CE2-CD2 4.12Å; F422-L463 HydrophobicContact CZ-CD2 3.64Å; F459-L463 HydrophobicContact CD1-CB 4.46Å; F459-L463 HydrophobicContact CD1-CD2 4.13Å; F459-L463 HydrophobicContact CD1-CG 4.49Å; F459-L463 HydrophobicContact CE1-CB 4.34Å; F459-L463 HydrophobicContact CE1-CD2 3.61Å; F459-L463 HydrophobicContact CE1-CG 3.92Å; F459-L463 HydrophobicContact CZ-CD2 3.98Å; P460-L463 HydrophobicContact CB-CB 3.89Å; P460-L463 HydrophobicContact CG-CB 4.22Å; P460-L463 VanDerWaalsContact O-CB 3.31Å; P460-L463 WeakPolarHBondContact O-CB 3.36Å; P460-L463 PolarHBondContact O-N 3.32Å; P460-L463 VanDerWaalsContact O-N 3.09Å; L461-L463 PolarHBondContact O-N 2.98Å; L463-M467 HydrophobicContact CG-SD 4.35Å; L463-M467 WeakPolarHBondContact O-CB 3.32Å; L463-M467 WeakPolarHBondContact O-CG 3.34Å; L463-M467 PolarHBondContact O-N 3.49Å
464	V	73.5	Confident	69.4	Low	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-49.5	172.2	179.2	0	0	0	0	109.1	F445 A450 L453 F459 P460 L461 L466 M467 L468	F445-V464 HydrophobicContact CE1-CG1 4.38Å; A450-V464 HydrophobicContact CB-CG1 4.14Å; L453-V464 HydrophobicContact CD1-CG2 4.34Å; F459-V464 HydrophobicContact CD1-CG2 3.64Å; F459-V464 HydrophobicContact CE1-CG2 4.26Å; P460-V464 PolarHBondContact O-N 2.93Å; L461-V464 CarbonylContact O-C 3.41Å; L461-V464 WeakPolarHBondContact O-CA 3.11Å; L461-V464 WeakPolarHBondContact O-CB 3.46Å; L461-V464 PolarHBondContact O-N 3.47Å; V464-L466 PolarHBondContact O-N 2.93Å; V464-M467 PolarHBondContact O-N 3.19Å; V464-M467 VanDerWaalsContact O-N 3.17Å; V464-L468 HydrophobicContact CG1-CD1 3.72Å; V464-L468 HydrophobicContact CG1-CG 4.22Å; V464-L468 VanDerWaalsContact O-CG 3.24Å; V464-L468 WeakPolarHBondContact O-CG 3.49Å; V464-L468 PolarHBondContact O-N 3.42Å
465	D	72.2	Confident	70.1	Confident	43 Å²	43	44.4 Å²	44.4	23%	0.23	24%	0.237	C	C	.	.	H	α-helix	trans	-58.4	-47.5	179.2	-67.1	-29.5	0	0	0	111.4	L461 M467 L468 E469	L461-D465 PolarHBondContact O-N 3.32Å; D465-M467 VanDerWaalsContact C-N 3.32Å; D465-M467 PolarHBondContact O-N 2.98Å; D465-L468 PolarHBondContact O-N 2.73Å; D465-L468 VanDerWaalsContact O-N 3.1Å; D465-E469 WeakPolarHBondContact O-CB 3.23Å; D465-E469 PolarHBondContact O-N 3.37Å
466	L	68.4	Low	70.9	Confident	15 Å²	15	39.4 Å²	39.4	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-36.6	178.5	-162.6	141.3	0	0	0	112.5	F374 D462 V464 L468 E470	F374-L466 HydrophobicContact CZ-CD2 4.45Å; D462-L466 WeakPolarHBondContact O-CB 3.48Å; D462-L466 PolarHBondContact O-N 3.24Å; V464-L466 PolarHBondContact O-N 2.93Å; L466-L468 VanDerWaalsContact C-N 3.34Å; L466-E470 VanDerWaalsContact CD2-OE1 3.28Å; L466-E470 WeakPolarHBondContact CD2-OE1 3.29Å; L466-E470 WeakPolarHBondContact O-CG 3.48Å; L466-E470 PolarHBondContact O-N 2.98Å
467	M	75.9	Confident	71.8	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-70.3	-29.5	175.1	-72.5	175.8	75.7	0	0	113.1	R373 S430 I433 F459 L463 V464 D465 R471	R373-M467 VanDerWaalsContact CZ-CG 3.48Å; S430-M467 WeakPolarHBondContact OG-CE 3.5Å; I433-M467 HydrophobicContact CD1-CE 3.81Å; I433-M467 HydrophobicContact CD1-SD 3.81Å; F459-M467 HydrophobicContact CE1-SD 3.62Å; F459-M467 HydrophobicContact CZ-SD 3.78Å; L463-M467 HydrophobicContact CG-SD 4.35Å; L463-M467 WeakPolarHBondContact O-CB 3.32Å; L463-M467 WeakPolarHBondContact O-CG 3.34Å; L463-M467 PolarHBondContact O-N 3.49Å; V464-M467 PolarHBondContact O-N 3.19Å; V464-M467 VanDerWaalsContact O-N 3.17Å; D465-M467 VanDerWaalsContact C-N 3.32Å; D465-M467 PolarHBondContact O-N 2.98Å; M467-R471 PolarHBondContact O-NH1 3.21Å
468	L	79.6	Confident	72.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-80.5	-41.4	177	-66.4	174.1	0	0	0	110.9	I433 F445 V464 D465 L466 E470 R471 G472 I473 V475	I433-L468 HydrophobicContact CG2-CD2 4.14Å; F445-L468 HydrophobicContact CB-CD1 3.58Å; F445-L468 HydrophobicContact CB-CD2 4.04Å; F445-L468 HydrophobicContact CB-CG 4.47Å; F445-L468 HydrophobicContact CD1-CD1 3.93Å; F445-L468 HydrophobicContact CD2-CD1 4.17Å; F445-L468 HydrophobicContact CD2-CD2 3.49Å; F445-L468 VanDerWaalsContact CD2-CD2 3.49Å; F445-L468 HydrophobicContact CD2-CG 4.47Å; F445-L468 HydrophobicContact CE2-CD2 4.04Å; F445-L468 HydrophobicContact CG-CD1 3.64Å; F445-L468 HydrophobicContact CG-CD2 3.84Å; F445-L468 HydrophobicContact CG-CG 4.41Å; V464-L468 HydrophobicContact CG1-CD1 3.72Å; V464-L468 HydrophobicContact CG1-CG 4.22Å; V464-L468 VanDerWaalsContact O-CG 3.24Å; V464-L468 WeakPolarHBondContact O-CG 3.49Å; V464-L468 PolarHBondContact O-N 3.42Å; D465-L468 PolarHBondContact O-N 2.73Å; D465-L468 VanDerWaalsContact O-N 3.1Å; L466-L468 VanDerWaalsContact C-N 3.34Å; L468-E470 VanDerWaalsContact C-N 3.34Å; L468-E470 PolarHBondContact O-N 3.15Å; L468-R471 CarbonylContact O-C 3.58Å; L468-R471 WeakPolarHBondContact O-CA 3.42Å; L468-R471 WeakPolarHBondContact O-CB 3.3Å; L468-R471 PolarHBondContact O-N 2.9Å; L468-G472 PolarHBondContact O-N 2.88Å; L468-G472 VanDerWaalsContact O-N 3.13Å; L468-I473 CarbonylContact C-O 3.55Å; L468-I473 HydrophobicContact CB-CB 4.34Å; L468-I473 VanDerWaalsContact CB-O 3.28Å; L468-I473 WeakPolarHBondContact CB-O 3.17Å; L468-I473 HydrophobicContact CD2-CB 4.28Å; L468-I473 HydrophobicContact CD2-CG2 4.11Å; L468-I473 PolarHBondContact O-N 3.37Å; L468-I473 VanDerWaalsContact O-O 3.1Å; L468-V475 HydrophobicContact CD1-CB 4.24Å
469	E	76.3	Confident	74.1	Confident	77 Å²	77	51.4 Å²	51.4	36%	0.36	26%	0.255	S	S	.	.	H	α-helix	trans	-55.4	-45.7	174.6	-85.8	-172.7	168.5	0	0	112	R130 D465 R471 G472	R130-E469 IonicContact NH2-OE2 2.95Å; R130-E469 PolarHBondContact NH2-OE2 2.85Å; R130-E469 VanDerWaalsContact NH2-OE2 3.1Å; D465-E469 WeakPolarHBondContact O-CB 3.23Å; D465-E469 PolarHBondContact O-N 3.37Å; E469-R471 PolarHBondContact O-N 3.36Å; E469-R471 VanDerWaalsContact O-N 3.09Å; E469-G472 PolarHBondContact O-N 3.06Å
470	E	70.6	Confident	74.8	Confident	82 Å²	82	51.9 Å²	51.9	38%	0.383	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21	176.1	-75.8	171.7	-175.4	0	0	113.5	R373 L466 L468	R373-E470 IonicContact CZ-OE1 3.05Å; R373-E470 IonicContact NH2-OE1 3.09Å; R373-E470 PolarHBondContact NH2-OE1 3.15Å; R373-E470 IonicContact NH2-OE2 3.22Å; R373-E470 PolarHBondContact NH2-OE2 2.9Å; L466-E470 VanDerWaalsContact CD2-OE1 3.28Å; L466-E470 WeakPolarHBondContact CD2-OE1 3.29Å; L466-E470 WeakPolarHBondContact O-CG 3.48Å; L466-E470 PolarHBondContact O-N 2.98Å; L468-E470 VanDerWaalsContact C-N 3.34Å; L468-E470 PolarHBondContact O-N 3.15Å
471	R	74.9	Confident	75.4	Confident	125 Å²	125	56.2 Å²	56.2	47%	0.472	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	2.9	177.3	-64.8	178.8	174.8	83.9	3.5	112.6	M467 L468 E469 I473	M467-R471 PolarHBondContact O-NH1 3.21Å; L468-R471 CarbonylContact O-C 3.58Å; L468-R471 WeakPolarHBondContact O-CA 3.42Å; L468-R471 WeakPolarHBondContact O-CB 3.3Å; L468-R471 PolarHBondContact O-N 2.9Å; E469-R471 PolarHBondContact O-N 3.36Å; E469-R471 VanDerWaalsContact O-N 3.09Å; R471-I473 HydrophobicContact CB-CD1 4.18Å; R471-I473 HydrophobicContact CB-CG1 4.29Å; R471-I473 PolarHBondContact O-N 3.16Å
472	G	75.9	Confident	76.1	Confident	70 Å²	70	63.7 Å²	63.7	72%	0.722	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	20.4	-175.2	0	0	0	0	0	114.2	L468 E469	L468-G472 PolarHBondContact O-N 2.88Å; L468-G472 VanDerWaalsContact O-N 3.13Å; E469-G472 PolarHBondContact O-N 3.06Å
473	I	83.4	Confident	76.7	Confident	36 Å²	36	64.1 Å²	64.1	19%	0.185	31%	0.309	C	S	.	.			trans	-105.1	143.8	179.8	-58.6	171.8	0	0	0	108.4	C437 F445 L468 R471	C437-I473 HydrophobicContact CB-CD1 4.07Å; F445-I473 HydrophobicContact CB-CG2 4.08Å; L468-I473 CarbonylContact C-O 3.55Å; L468-I473 HydrophobicContact CB-CB 4.34Å; L468-I473 VanDerWaalsContact CB-O 3.28Å; L468-I473 WeakPolarHBondContact CB-O 3.17Å; L468-I473 HydrophobicContact CD2-CB 4.28Å; L468-I473 HydrophobicContact CD2-CG2 4.11Å; L468-I473 PolarHBondContact O-N 3.37Å; L468-I473 VanDerWaalsContact O-O 3.1Å; R471-I473 HydrophobicContact CB-CD1 4.18Å; R471-I473 HydrophobicContact CB-CG1 4.29Å; R471-I473 PolarHBondContact O-N 3.16Å
474	Q	82.1	Confident	76.9	Confident	93 Å²	93	65.4 Å²	65.4	44%	0.435	32%	0.317	S	S	.	.			trans	-116.4	148.1	175.8	-68.2	-69.2	-37.1	0	0	110.2	P444 F445	P444-Q474 CarbonylContact C-O 3.57Å; P444-Q474 WeakPolarHBondContact CA-O 3.43Å; F445-Q474 PolarHBondContact N-O 3.46Å
475	V	83.6	Confident	76.7	Confident	7 Å²	7	68.5 Å²	68.5	4%	0.042	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-79.5	150.9	169.9	88.4	0	0	0	0	109.7	F445 A450 L468 R477 L480	F445-V475 HydrophobicContact CB-CG2 4.35Å; F445-V475 HydrophobicContact CD1-CG2 4.11Å; F445-V475 WeakPolarHBondContact O-CG2 3.26Å; A450-V475 HydrophobicContact CB-CG2 3.88Å; L468-V475 HydrophobicContact CD1-CB 4.24Å; V475-R477 VanDerWaalsContact C-N 3.34Å; V475-R477 HydrophobicContact CG1-CG 4.06Å; V475-R477 PolarHBondContact O-N 3.49Å; V475-L480 HydrophobicContact CG1-CD2 3.87Å
476	D	81.3	Confident	76.8	Confident	69 Å²	69	72.6 Å²	72.6	37%	0.369	36%	0.356	S	S	.	.			trans	-67.4	94.4	166.3	-173.7	-19.3	0	0	0	109.7	F445 A447 Q478 E479 L480	F445-D476 PolarHBondContact O-N 3.4Å; A447-D476 HydrophobicContact CB-CB 4.33Å; D476-Q478 VanDerWaalsContact C-N 3.32Å; D476-Q478 PolarHBondContact O-N 3.27Å; D476-Q478 PolarHBondContact OD1-N 3.09Å; D476-E479 HydrophobicContact CB-CB 4.44Å; D476-E479 PolarHBondContact OD1-N 2.84Å; D476-L480 WeakPolarHBondContact O-CB 3.04Å; D476-L480 PolarHBondContact O-N 3.37Å; D476-L480 VanDerWaalsContact O-N 3.12Å
477	R	77.3	Confident	76.6	Confident	144 Å²	144	74.9 Å²	74.9	54%	0.543	37%	0.367	S	S	.	.	H	α-helix	trans	-64	-36.9	-176.8	-72	-172.5	179	-169.6	-1.5	112.3	V475 E479 L480 D481	V475-R477 VanDerWaalsContact C-N 3.34Å; V475-R477 HydrophobicContact CG1-CG 4.06Å; V475-R477 PolarHBondContact O-N 3.49Å; R477-E479 PolarHBondContact O-N 2.71Å; R477-L480 PolarHBondContact O-N 3.4Å; R477-D481 WeakPolarHBondContact O-CB 3.22Å; R477-D481 PolarHBondContact O-N 3.27Å
478	Q	78.8	Confident	75.6	Confident	162 Å²	162	80.6 Å²	80.6	76%	0.757	39%	0.393	S	S	*	.	H	α-helix	trans	-68.6	-39.5	-173.7	-150.1	175.9	32.7	0	0	111.4	D476 R482	D476-Q478 VanDerWaalsContact C-N 3.32Å; D476-Q478 PolarHBondContact O-N 3.27Å; D476-Q478 PolarHBondContact OD1-N 3.09Å; Q478-R482 PolarHBondContact O-N 2.81Å
479	E	80.6	Confident	74.7	Confident	81 Å²	81	87 Å²	87	38%	0.379	42%	0.421	S	S	.	.	H	α-helix	trans	-74.3	-35.3	174.4	-175.2	62.4	-173.2	0	0	112.3	A447 D476 R477 R482 L483	A447-E479 HydrophobicContact CB-CB 3.77Å; A447-E479 HydrophobicContact CB-CG 3.79Å; D476-E479 HydrophobicContact CB-CB 4.44Å; D476-E479 PolarHBondContact OD1-N 2.84Å; R477-E479 PolarHBondContact O-N 2.71Å; E479-R482 WeakPolarHBondContact O-CB 3.39Å; E479-R482 PolarHBondContact O-N 3.12Å; E479-L483 WeakPolarHBondContact O-CG 3.25Å; E479-L483 PolarHBondContact O-N 3.1Å
480	L	77.7	Confident	73.8	Confident	10 Å²	10	87.9 Å²	87.9	5%	0.052	43%	0.426	C	S	.	.	H	α-helix	trans	-64.5	-45	175.9	-174.7	61.9	0	0	0	111.9	A447 W451 L461 V475 D476 R477 R482 L483 V484	A447-L480 HydrophobicContact CB-CB 4Å; W451-L480 HydrophobicContact CB-CD1 4.29Å; W451-L480 HydrophobicContact CE3-CD1 4.35Å; L461-L480 HydrophobicContact CD1-CD1 4.09Å; L461-L480 HydrophobicContact CD1-CD2 4.31Å; L461-L480 HydrophobicContact CD1-CG 4.42Å; L461-L480 HydrophobicContact CD2-CD1 3.99Å; L461-L480 HydrophobicContact CD2-CD2 4.31Å; V475-L480 HydrophobicContact CG1-CD2 3.87Å; D476-L480 WeakPolarHBondContact O-CB 3.04Å; D476-L480 PolarHBondContact O-N 3.37Å; D476-L480 VanDerWaalsContact O-N 3.12Å; R477-L480 PolarHBondContact O-N 3.4Å; L480-R482 VanDerWaalsContact C-N 3.28Å; L480-R482 PolarHBondContact O-N 2.94Å; L480-L483 PolarHBondContact O-N 2.92Å; L480-L483 VanDerWaalsContact O-N 3.16Å; L480-V484 WeakPolarHBondContact O-CG2 3.4Å; L480-V484 PolarHBondContact O-N 2.81Å
481	D	75.9	Confident	72.9	Confident	95 Å²	95	90.9 Å²	90.9	51%	0.508	43%	0.434	S	S	.	.	H	α-helix	trans	-62.9	-35.7	178.3	-71.4	-21.3	0	0	0	111.7	R477 V484 S485	R477-D481 WeakPolarHBondContact O-CB 3.22Å; R477-D481 PolarHBondContact O-N 3.27Å; D481-V484 PolarHBondContact O-N 3.16Å; D481-S485 VanDerWaalsContact O-CB 3.24Å; D481-S485 WeakPolarHBondContact O-CB 3.39Å; D481-S485 PolarHBondContact O-N 3.12Å; D481-S485 PolarHBondContact O-OG 3.44Å
482	R	80	Confident	71.5	Confident	181 Å²	181	87.7 Å²	87.7	68%	0.683	43%	0.434	S	S	*	.	H	α-helix	trans	-60.9	-47.3	172	-99.1	-174.1	166.5	146.9	0.2	112.4	Q478 E479 L480 S485 H486	Q478-R482 PolarHBondContact O-N 2.81Å; E479-R482 WeakPolarHBondContact O-CB 3.39Å; E479-R482 PolarHBondContact O-N 3.12Å; L480-R482 VanDerWaalsContact C-N 3.28Å; L480-R482 PolarHBondContact O-N 2.94Å; R482-S485 PolarHBondContact O-N 2.87Å; R482-H486 WeakPolarHBondContact O-CB 3.34Å; R482-H486 PolarHBondContact O-N 3.46Å
483	L	76.4	Confident	70	Confident	47 Å²	47	89.9 Å²	89.9	25%	0.246	43%	0.426	C	S	.	.	H	α-helix	trans	-63.9	-41.3	179	-69.6	169.4	0	0	0	111.8	W451 E479 L480 E487	W451-L483 HydrophobicContact CB-CD1 3.83Å; W451-L483 HydrophobicContact CD2-CB 4.13Å; W451-L483 HydrophobicContact CG-CB 4.12Å; W451-L483 HydrophobicContact CG-CD1 3.97Å; E479-L483 WeakPolarHBondContact O-CG 3.25Å; E479-L483 PolarHBondContact O-N 3.1Å; L480-L483 PolarHBondContact O-N 2.92Å; L480-L483 VanDerWaalsContact O-N 3.16Å; L483-E487 PolarHBondContact O-N 2.97Å
484	V	70	Confident	68	Low	34 Å²	34	96 Å²	96	21%	0.206	45%	0.454	C	S	.	.	H	α-helix	trans	-63.8	-48.5	176	173.1	0	0	0	0	111	W451 L461 L480 D481 H486 E487 Q488	W451-V484 HydrophobicContact CE3-CG2 4.12Å; W451-V484 HydrophobicContact CH2-CG2 4.22Å; W451-V484 HydrophobicContact CZ3-CB 4.46Å; W451-V484 HydrophobicContact CZ3-CG2 3.58Å; L461-V484 HydrophobicContact CD1-CG2 4.26Å; L480-V484 WeakPolarHBondContact O-CG2 3.4Å; L480-V484 PolarHBondContact O-N 2.81Å; D481-V484 PolarHBondContact O-N 3.16Å; V484-H486 PolarHBondContact O-N 3.17Å; V484-E487 PolarHBondContact O-N 3.48Å; V484-Q488 WeakPolarHBondContact O-CG 3.32Å; V484-Q488 PolarHBondContact O-N 2.86Å; V484-Q488 VanDerWaalsContact O-N 3.08Å
485	S	70.3	Confident	65.9	Low	64 Å²	64	99.3 Å²	99.3	45%	0.448	47%	0.469	S	S	.	.	H	α-helix	trans	-64.9	-39.2	-177.4	-59.7	0	0	0	0	112.3	D481 R482 E487 Q488 K489	D481-S485 VanDerWaalsContact O-CB 3.24Å; D481-S485 WeakPolarHBondContact O-CB 3.39Å; D481-S485 PolarHBondContact O-N 3.12Å; D481-S485 PolarHBondContact O-OG 3.44Å; R482-S485 PolarHBondContact O-N 2.87Å; S485-E487 PolarHBondContact O-N 2.95Å; S485-Q488 PolarHBondContact O-N 3.34Å; S485-K489 WeakPolarHBondContact O-CB 3.32Å; S485-K489 PolarHBondContact O-N 2.74Å
486	H	73.4	Confident	63.4	Low	129 Å²	129	102.9 Å²	102.9	60%	0.597	50%	0.5	S	S	*	.	H	α-helix	trans	-61.6	-43.5	177.7	-172.5	74.5	0	0	0	112	R482 V484 K489 M490	R482-H486 WeakPolarHBondContact O-CB 3.34Å; R482-H486 PolarHBondContact O-N 3.46Å; V484-H486 PolarHBondContact O-N 3.17Å; H486-K489 PolarHBondContact O-N 3.43Å; H486-M490 WeakPolarHBondContact O-CG 3.33Å; H486-M490 PolarHBondContact O-N 3.3Å
487	E	63.8	Low	61	Low	64 Å²	64	107.4 Å²	107.4	30%	0.299	52%	0.524	S	S	.	.	H	α-helix	trans	-67	-40.7	176.7	-178.5	90.9	-162.6	0	0	112.1	W451 L483 V484 S485 K489 M490 R491	W451-E487 HydrophobicContact CH2-CB 4.35Å; W451-E487 HydrophobicContact CH2-CG 4.48Å; W451-E487 HydrophobicContact CZ2-CB 4.04Å; W451-E487 HydrophobicContact CZ2-CG 4.24Å; L483-E487 PolarHBondContact O-N 2.97Å; V484-E487 PolarHBondContact O-N 3.48Å; S485-E487 PolarHBondContact O-N 2.95Å; E487-K489 VanDerWaalsContact C-N 3.33Å; E487-K489 PolarHBondContact O-N 3.47Å; E487-M490 PolarHBondContact O-N 3.14Å; E487-R491 WeakPolarHBondContact O-CG 3.44Å; E487-R491 PolarHBondContact O-N 3.06Å; E487-R491 VanDerWaalsContact O-N 3.15Å; E487-R491 IonicContact OE1-CZ 3.54Å; E487-R491 IonicContact OE1-NE 3.51Å; E487-R491 IonicContact OE1-NH2 2.79Å; E487-R491 PolarHBondContact OE1-NH2 3.08Å
488	Q	56.5	Low	59.3	Low	122 Å²	122	105.7 Å²	105.7	57%	0.57	53%	0.534	S	S	*	.	H	α-helix	trans	-62.2	-41.4	176.5	-74.8	176.2	-13.4	0	0	111.8	V484 S485 R491 A492	V484-Q488 WeakPolarHBondContact O-CG 3.32Å; V484-Q488 PolarHBondContact O-N 2.86Å; V484-Q488 VanDerWaalsContact O-N 3.08Å; S485-Q488 PolarHBondContact O-N 3.34Å; Q488-R491 PolarHBondContact O-N 3.14Å; Q488-A492 PolarHBondContact O-N 3.3Å
489	K	60.8	Low	57.8	Low	134 Å²	134	105.2 Å²	105.2	58%	0.583	53%	0.532	S	S	*	.	H	α-helix	trans	-62.2	-45.2	177	-167.4	177.4	178.1	-178.3	0	112	S485 H486 E487 R491 A492 E493	S485-K489 WeakPolarHBondContact O-CB 3.32Å; S485-K489 PolarHBondContact O-N 2.74Å; H486-K489 PolarHBondContact O-N 3.43Å; E487-K489 VanDerWaalsContact C-N 3.33Å; E487-K489 PolarHBondContact O-N 3.47Å; K489-R491 PolarHBondContact O-N 3.14Å; K489-A492 PolarHBondContact O-N 3.2Å; K489-E493 WeakPolarHBondContact CE-OE1 3.44Å; K489-E493 WeakPolarHBondContact O-CG 3.44Å; K489-E493 PolarHBondContact O-N 3.19Å
490	M	56.4	Low	56.6	Low	96 Å²	96	106.4 Å²	106.4	47%	0.473	55%	0.546	S	S	.	.	H	α-helix	trans	-61	-31.2	175.6	-67.2	-63.3	-65.3	0	0	113.1	H486 E487	H486-M490 WeakPolarHBondContact O-CG 3.33Å; H486-M490 PolarHBondContact O-N 3.3Å; E487-M490 PolarHBondContact O-N 3.14Å
491	R	51.7	Low	55.8	Low	145 Å²	145	112.1 Å²	112.1	55%	0.547	57%	0.567	S	S	.	*	H	α-helix	trans	-77.9	-37.6	175.3	-71	-178.5	-174	-171.8	3.4	112.9	E487 Q488 K489 E493 Q494	E487-R491 WeakPolarHBondContact O-CG 3.44Å; E487-R491 PolarHBondContact O-N 3.06Å; E487-R491 VanDerWaalsContact O-N 3.15Å; E487-R491 IonicContact OE1-CZ 3.54Å; E487-R491 IonicContact OE1-NE 3.51Å; E487-R491 IonicContact OE1-NH2 2.79Å; E487-R491 PolarHBondContact OE1-NH2 3.08Å; Q488-R491 PolarHBondContact O-N 3.14Å; K489-R491 PolarHBondContact O-N 3.14Å; R491-E493 VanDerWaalsContact C-N 3.32Å; R491-Q494 PolarHBondContact O-N 2.97Å
492	A	45.1	Very low	55.8	Low	58 Å²	58	108.8 Å²	108.8	48%	0.479	55%	0.549	S	S	.	.	H	α-helix	trans	-64.4	-39.2	175.8	0	0	0	0	0	111.3	Q488 K489 Q494 Q495 A496	Q488-A492 PolarHBondContact O-N 3.3Å; K489-A492 PolarHBondContact O-N 3.2Å; A492-Q494 PolarHBondContact O-N 3.38Å; A492-Q495 PolarHBondContact O-N 2.72Å; A492-A496 PolarHBondContact O-N 2.56Å
493	E	45	Very low	55.7	Low	117 Å²	117	104.5 Å²	104.5	55%	0.547	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.7	174.6	-72	170.9	-173.8	0	0	112.9	K489 R491	K489-E493 WeakPolarHBondContact CE-OE1 3.44Å; K489-E493 WeakPolarHBondContact O-CG 3.44Å; K489-E493 PolarHBondContact O-N 3.19Å; R491-E493 VanDerWaalsContact C-N 3.32Å
494	Q	41.8	Very low	55.9	Low	165 Å²	165	102.6 Å²	102.6	77%	0.771	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.6	174.4	-71.8	177.7	-8.4	0	0	114.3	R491 A492	R491-Q494 PolarHBondContact O-N 2.97Å; A492-Q494 PolarHBondContact O-N 3.38Å
495	Q	38.1	Very low	56.4	Low	162 Å²	162	102.5 Å²	102.5	76%	0.757	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-1.7	-178.5	-78	-178.8	-25.5	0	0	113.8	A492 D497	A492-Q495 PolarHBondContact O-N 2.72Å; Q495-D497 PolarHBondContact O-N 2.68Å; Q495-D497 VanDerWaalsContact O-N 3.1Å
496	A	30.2	Very low	56.9	Low	82 Å²	82	100.1 Å²	100.1	68%	0.678	51%	0.51	S	S	*	.			trans	-85.7	71.2	-175	0	0	0	0	0	112.5	A492	A492-A496 PolarHBondContact O-N 2.56Å
497	D	30.6	Very low	57.3	Low	164 Å²	164	97.3 Å²	97.3	88%	0.877	50%	0.499	S	S	*	.			trans	-148.8	32.7	165.5	-151.5	20.5	0	0	0	114.6	Q495	Q495-D497 PolarHBondContact O-N 2.68Å; Q495-D497 VanDerWaalsContact O-N 3.1Å
498	S	42.1	Very low	58.5	Low	107 Å²	107	94.4 Å²	94.4	75%	0.748	49%	0.486	S	S	*	.			trans	-118.6	113.2	173.5	62.1	0	0	0	0	111
499	Q	47.7	Very low	59.9	Low	153 Å²	153	88.7 Å²	88.7	72%	0.715	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-64.6	144.9	168.6	-68.4	-172.5	1	0	0	109.8	R501	Q499-R501 PolarHBondContact O-N 2.88Å
500	P	54.5	Low	61	Low	105 Å²	105	82.7 Å²	82.7	68%	0.682	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-60.9	132.4	-179	22.5	-31.1	0	0	0	110.9	R562	P500-R562 PolarHBondContact O-NH1 3.03Å; P500-R562 PolarHBondContact O-NH2 3.41Å
501	R	62.7	Low	62.4	Low	130 Å²	130	79.5 Å²	79.5	49%	0.491	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-71.2	140	175.7	-67	-176.8	178.9	-168.8	-1.2	109.6	Q499 L503 E575	Q499-R501 PolarHBondContact O-N 2.88Å; R501-L503 HydrophobicContact CB-CD1 4.45Å; R501-L503 HydrophobicContact CB-CG 4.1Å; R501-L503 PolarHBondContact O-N 2.96Å; R501-E575 IonicContact CZ-OE1 3.91Å; R501-E575 IonicContact CZ-OE2 3.97Å; R501-E575 IonicContact NH1-OE1 3.58Å; R501-E575 PolarHBondContact NH1-OE1 2.84Å; R501-E575 VanDerWaalsContact NH1-OE1 3.09Å; R501-E575 IonicContact NH1-OE2 3.7Å; R501-E575 PolarHBondContact NH1-OE2 3.48Å; R501-E575 VanDerWaalsContact NH2-CD 3.34Å; R501-E575 IonicContact NH2-OE1 2.66Å; R501-E575 PolarHBondContact NH2-OE1 3.4Å; R501-E575 IonicContact NH2-OE2 2.99Å; R501-E575 PolarHBondContact NH2-OE2 3.05Å
502	L	74.3	Confident	64.3	Low	25 Å²	25	72.6 Å²	72.6	13%	0.131	40%	0.398	C	S	.	.			trans	-77.8	89.4	169.6	-72	-176	0	0	0	109	R562 C563 Q611	L502-R562 HydrophobicContact CD1-CG 3.88Å; L502-C563 VanDerWaalsContact CD1-C 3.5Å; L502-Q611 HydrophobicContact CD1-CG 4.17Å
503	L	77.6	Confident	66.3	Low	91 Å²	91	74.7 Å²	74.7	48%	0.476	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-100.5	139.2	173.8	-66.1	171.6	0	0	0	109.2	R501 D505 Y548 N602	R501-L503 HydrophobicContact CB-CD1 4.45Å; R501-L503 HydrophobicContact CB-CG 4.1Å; R501-L503 PolarHBondContact O-N 2.96Å; L503-D505 PolarHBondContact O-N 2.95Å; L503-Y548 WeakPolarHBondContact O-CE1 3.25Å; L503-N602 HydrophobicContact CD2-CB 3.86Å
504	L	81.7	Confident	68.3	Low	8 Å²	8	79 Å²	79	4%	0.042	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-66.4	125.5	174.9	-69.8	167.7	0	0	0	109.5	L509 L512 Y548 I566 A604 V609	L504-L509 HydrophobicContact CB-CD2 3.97Å; L504-L509 HydrophobicContact CB-CG 3.92Å; L504-L509 HydrophobicContact CD1-CD2 3.8Å; L504-L512 HydrophobicContact CD1-CD1 3.81Å; L504-L512 HydrophobicContact CD2-CD1 4.48Å; L504-Y548 HydrophobicContact CD2-CD1 3.93Å; L504-Y548 HydrophobicContact CD2-CD2 4.04Å; L504-Y548 HydrophobicContact CD2-CE1 4.39Å; L504-Y548 HydrophobicContact CD2-CG 3.73Å; L504-I566 HydrophobicContact CD1-CD1 3.92Å; L504-I566 HydrophobicContact CD2-CD1 4.27Å; L504-A604 HydrophobicContact CB-CB 4.27Å; L504-V609 HydrophobicContact CD1-CG2 3.56Å; L504-V609 HydrophobicContact CG-CG2 3.8Å
505	D	80.1	Confident	70.5	Confident	31 Å²	31	74.7 Å²	74.7	17%	0.166	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-75.9	168.8	170.7	69.8	16.4	0	0	0	111.6	R271 L503 L507 S508 L509	R271-D505 IonicContact NH1-OD2 2.77Å; R271-D505 PolarHBondContact NH1-OD2 2.87Å; L503-D505 PolarHBondContact O-N 2.95Å; D505-L507 PolarHBondContact O-N 3.43Å; D505-L507 PolarHBondContact OD1-N 3.35Å; D505-S508 PolarHBondContact O-N 2.61Å; D505-S508 WeakPolarHBondContact OD1-CB 3.48Å; D505-S508 PolarHBondContact OD1-N 3.07Å; D505-S508 PolarHBondContact OD1-OG 3.32Å; D505-L509 WeakPolarHBondContact O-CG 3.44Å; D505-L509 PolarHBondContact O-N 3.37Å
506	V	80.6	Confident	73	Confident	15 Å²	15	69.9 Å²	69.9	9%	0.091	40%	0.395	C	S	.	.	H	α-helix	trans	-57.1	-39.8	-177.3	-173.8	0	0	0	0	111.9	L94 L273 P274 A510	L94-V506 HydrophobicContact CB-CG2 3.8Å; L94-V506 HydrophobicContact CD2-CG2 3.34Å; L94-V506 HydrophobicContact CG-CG2 4.16Å; L94-V506 WeakPolarHBondContact O-CG1 3.08Å; L94-V506 WeakPolarHBondContact O-CG2 3.45Å; L273-V506 HydrophobicContact CD2-CB 4.46Å; L273-V506 HydrophobicContact CD2-CG1 3.79Å; L273-V506 HydrophobicContact CD2-CG2 4.49Å; P274-V506 HydrophobicContact CG-CG1 3.99Å; V506-A510 WeakPolarHBondContact O-CB 3.44Å; V506-A510 PolarHBondContact O-N 3.22Å
507	L	82.6	Confident	76.1	Confident	69 Å²	69	67.1 Å²	67.1	36%	0.361	37%	0.37	S	S	.	.	H	α-helix	trans	-69.4	-39.9	-178.4	-68.1	-174.1	0	0	0	111.9	R271 L272 D505 A510 A511	R271-L507 HydrophobicContact CB-CD1 4.27Å; R271-L507 HydrophobicContact CG-CD1 4.45Å; L272-L507 WeakPolarHBondContact O-CD2 3.41Å; D505-L507 PolarHBondContact O-N 3.43Å; D505-L507 PolarHBondContact OD1-N 3.35Å; L507-A510 PolarHBondContact O-N 3.04Å; L507-A511 WeakPolarHBondContact O-CB 3.4Å; L507-A511 PolarHBondContact O-N 2.76Å
508	S	87.8	Confident	79.1	Confident	4 Å²	4	63 Å²	63	3%	0.028	35%	0.352	C	S	.	.	H	α-helix	trans	-67.1	-41.6	177.3	-57.3	0	0	0	0	110.8	D505 A510 A511 L512 Y548	D505-S508 PolarHBondContact O-N 2.61Å; D505-S508 WeakPolarHBondContact OD1-CB 3.48Å; D505-S508 PolarHBondContact OD1-N 3.07Å; D505-S508 PolarHBondContact OD1-OG 3.32Å; S508-A510 PolarHBondContact O-N 2.95Å; S508-A511 PolarHBondContact O-N 3.16Å; S508-L512 WeakPolarHBondContact O-CG 3.35Å; S508-L512 PolarHBondContact O-N 2.82Å; S508-Y548 WeakPolarHBondContact OG-CE2 3.31Å
509	L	87.1	Confident	81.6	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-59.5	-45.7	173.2	-71.9	169	0	0	0	111.9	T96 L504 D505 A511 L512 Q513 A604 Y607	T96-L509 HydrophobicContact CG2-CD1 3.66Å; L504-L509 HydrophobicContact CB-CD2 3.97Å; L504-L509 HydrophobicContact CB-CG 3.92Å; L504-L509 HydrophobicContact CD1-CD2 3.8Å; D505-L509 WeakPolarHBondContact O-CG 3.44Å; D505-L509 PolarHBondContact O-N 3.37Å; L509-A511 VanDerWaalsContact C-N 3.34Å; L509-A511 PolarHBondContact O-N 3.2Å; L509-L512 PolarHBondContact O-N 2.85Å; L509-Q513 WeakPolarHBondContact O-CG 3.39Å; L509-Q513 PolarHBondContact O-N 3.47Å; L509-Q513 VanDerWaalsContact O-N 3.08Å; L509-A604 HydrophobicContact CD2-CB 4.39Å; L509-Y607 HydrophobicContact CD2-CD2 3.84Å; L509-Y607 HydrophobicContact CD2-CE2 4.24Å
510	A	82.6	Confident	83.9	Confident	9 Å²	9	54.9 Å²	54.9	7%	0.074	30%	0.303	C	S	.	.	H	α-helix	trans	-68.4	-32	176.3	0	0	0	0	0	113.2	P274 V506 L507 S508 R514	P274-A510 HydrophobicContact CB-CB 3.66Å; P274-A510 HydrophobicContact CG-CB 3.28Å; V506-A510 WeakPolarHBondContact O-CB 3.44Å; V506-A510 PolarHBondContact O-N 3.22Å; L507-A510 PolarHBondContact O-N 3.04Å; S508-A510 PolarHBondContact O-N 2.95Å; A510-R514 WeakPolarHBondContact O-CB 3.17Å; A510-R514 VanDerWaalsContact O-CG 3.31Å; A510-R514 WeakPolarHBondContact O-CG 3.47Å; A510-R514 PolarHBondContact O-N 3.18Å; A510-R514 PolarHBondContact O-NE 3.37Å
511	A	87	Confident	85.8	Confident	28 Å²	28	53.9 Å²	53.9	23%	0.231	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-43.2	173.2	0	0	0	0	0	111.3	L507 S508 L509 R514 A515 L553	L507-A511 WeakPolarHBondContact O-CB 3.4Å; L507-A511 PolarHBondContact O-N 2.76Å; S508-A511 PolarHBondContact O-N 3.16Å; L509-A511 VanDerWaalsContact C-N 3.34Å; L509-A511 PolarHBondContact O-N 3.2Å; A511-R514 PolarHBondContact O-N 2.95Å; A511-A515 VanDerWaalsContact O-CB 3.29Å; A511-A515 WeakPolarHBondContact O-CB 3.42Å; A511-A515 PolarHBondContact O-N 3.08Å; A511-L553 HydrophobicContact CB-CD1 3.7Å
512	L	91.2	Very high	87.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-48.4	174.2	-68.2	167.3	0	0	0	111.6	L504 S508 L509 R514 A515 G516 V517 A546 L553 I566 Y607	L504-L512 HydrophobicContact CD1-CD1 3.81Å; L504-L512 HydrophobicContact CD2-CD1 4.48Å; S508-L512 WeakPolarHBondContact O-CG 3.35Å; S508-L512 PolarHBondContact O-N 2.82Å; L509-L512 PolarHBondContact O-N 2.85Å; L512-R514 PolarHBondContact O-N 2.55Å; L512-A515 PolarHBondContact O-N 3.37Å; L512-G516 PolarHBondContact O-N 3.5Å; L512-V517 HydrophobicContact CB-CB 4.34Å; L512-V517 HydrophobicContact CD2-CB 4.16Å; L512-V517 HydrophobicContact CD2-CG1 4.19Å; L512-V517 HydrophobicContact CD2-CG2 4.03Å; L512-V517 PolarHBondContact O-N 2.92Å; L512-A546 HydrophobicContact CD2-CB 3.6Å; L512-L553 HydrophobicContact CD2-CD1 3.68Å; L512-L553 HydrophobicContact CD2-CD2 4.04Å; L512-L553 HydrophobicContact CG-CD1 3.82Å; L512-L553 HydrophobicContact CG-CD2 4.33Å; L512-I566 HydrophobicContact CD1-CD1 3.51Å; L512-I566 HydrophobicContact CD2-CD1 3.82Å; L512-I566 HydrophobicContact CG-CD1 4.29Å; L512-Y607 HydrophobicContact CB-CE1 4.26Å; L512-Y607 HydrophobicContact CB-CE2 3.98Å; L512-Y607 HydrophobicContact CD1-CD1 4.24Å; L512-Y607 HydrophobicContact CD1-CD2 3.79Å; L512-Y607 HydrophobicContact CD1-CE1 4.24Å; L512-Y607 HydrophobicContact CD1-CE2 3.79Å; L512-Y607 HydrophobicContact CD1-CG 4.01Å
513	Q	86.7	Confident	88.2	Confident	103 Å²	103	48.1 Å²	48.1	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-61.5	-45	178.9	-71.3	173.7	-13.1	0	0	112.1	L509 A515 G516	L509-Q513 WeakPolarHBondContact O-CG 3.39Å; L509-Q513 PolarHBondContact O-N 3.47Å; L509-Q513 VanDerWaalsContact O-N 3.08Å; Q513-A515 VanDerWaalsContact C-N 3.31Å; Q513-A515 PolarHBondContact O-N 2.9Å; Q513-G516 PolarHBondContact O-N 3.45Å
514	R	87.6	Confident	89.1	Confident	207 Å²	207	45.2 Å²	45.2	78%	0.781	26%	0.262	S	S	*	.	H	α-helix	trans	-64.7	-35	176.8	-76.8	-174.6	-63.6	164.8	-0	112.9	A510 A511 L512 G516	A510-R514 WeakPolarHBondContact O-CB 3.17Å; A510-R514 VanDerWaalsContact O-CG 3.31Å; A510-R514 WeakPolarHBondContact O-CG 3.47Å; A510-R514 PolarHBondContact O-N 3.18Å; A510-R514 PolarHBondContact O-NE 3.37Å; A511-R514 PolarHBondContact O-N 2.95Å; L512-R514 PolarHBondContact O-N 2.55Å; R514-G516 PolarHBondContact O-N 3.47Å
515	A	88.9	Confident	89.7	Confident	75 Å²	75	45 Å²	45	62%	0.62	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-4	175.1	0	0	0	0	0	113	A511 L512 Q513 V517	A511-A515 VanDerWaalsContact O-CB 3.29Å; A511-A515 WeakPolarHBondContact O-CB 3.42Å; A511-A515 PolarHBondContact O-N 3.08Å; L512-A515 PolarHBondContact O-N 3.37Å; Q513-A515 VanDerWaalsContact C-N 3.31Å; Q513-A515 PolarHBondContact O-N 2.9Å; A515-V517 HydrophobicContact CB-CG2 4.04Å; A515-V517 PolarHBondContact O-N 2.72Å
516	G	90.8	Very high	90.4	Very high	60 Å²	60	46.1 Å²	46.1	62%	0.619	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	23.1	-179.2	0	0	0	0	0	113.3	L512 Q513 R514 P518	L512-G516 PolarHBondContact O-N 3.5Å; Q513-G516 PolarHBondContact O-N 3.45Å; R514-G516 PolarHBondContact O-N 3.47Å; G516-P518 WeakPolarHBondContact O-CD 3.48Å
517	V	93.8	Very high	91	Very high	24 Å²	24	53.7 Å²	53.7	15%	0.145	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-66.7	121.2	177	-179.6	0	0	0	0	108.3	L512 A515 L545 Y607	L512-V517 HydrophobicContact CB-CB 4.34Å; L512-V517 HydrophobicContact CD2-CB 4.16Å; L512-V517 HydrophobicContact CD2-CG1 4.19Å; L512-V517 HydrophobicContact CD2-CG2 4.03Å; L512-V517 PolarHBondContact O-N 2.92Å; A515-V517 HydrophobicContact CB-CG2 4.04Å; A515-V517 PolarHBondContact O-N 2.72Å; V517-L545 HydrophobicContact CG1-CB 3.87Å; V517-L545 HydrophobicContact CG1-CD1 4.01Å; V517-Y607 HydrophobicContact CB-CE1 4.39Å; V517-Y607 HydrophobicContact CG1-CE1 4.02Å; V517-Y607 PolarHBondContact O-OH 2.79Å
518	P	94.1	Very high	91.6	Very high	79 Å²	79	51.3 Å²	51.3	51%	0.513	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-67.1	150.2	178.2	28	-35	0	0	0	111	G516 L545 Y607	G516-P518 WeakPolarHBondContact O-CD 3.48Å; P518-L545 HydrophobicContact CG-CD1 3.75Å; P518-Y607 WeakPolarHBondContact O-CE1 3.03Å
519	H	94.4	Very high	92	Very high	79 Å²	79	55.9 Å²	55.9	37%	0.366	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-61.4	144.2	170.3	-64.1	-54.2	0	0	0	110.7	D521 G605 Y607	H519-D521 PolarHBondContact O-N 3.44Å; H519-G605 PolarHBondContact CE1-O 3.48Å; H519-G605 PolarHBondContact ND1-O 3.18Å; H519-Y607 AromaticContact CE1-CE2 3.85Å; H519-Y607 AromaticContact CE1-CZ 3.92Å; H519-Y607 AromaticContact ND1-CD2 3.99Å; H519-Y607 AromaticContact ND1-CE1 3.8Å; H519-Y607 AromaticContact ND1-CE2 3.65Å; H519-Y607 AromaticContact ND1-CZ 3.55Å
520	T	95.8	Very high	92.3	Very high	9 Å²	9	58.5 Å²	58.5	6%	0.055	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-64.6	127.7	-179.7	-52.7	0	0	0	0	111.3	D522 L567 T570 V608	T520-D522 PolarHBondContact O-N 3.46Å; T520-L567 WeakPolarHBondContact CB-O 3.34Å; T520-L567 VanDerWaalsContact CG2-O 3.28Å; T520-L567 WeakPolarHBondContact CG2-O 3.37Å; T520-L567 PolarHBondContact OG1-O 3.17Å; T520-T570 HydrophobicContact CG2-CG2 3.77Å; T520-V608 HydrophobicContact CG2-CB 4.01Å; T520-V608 HydrophobicContact CG2-CG2 4.11Å; T520-V608 PolarHBondContact OG1-N 3.48Å
521	D	95.4	Very high	92.8	Very high	84 Å²	84	63.1 Å²	63.1	45%	0.449	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-76.2	103	167.8	178.8	9.1	0	0	0	110.2	H519 G523 D568 R569 T570	H519-D521 PolarHBondContact O-N 3.44Å; D521-G523 PolarHBondContact OD1-N 2.84Å; D521-D568 PolarHBondContact N-O 3.4Å; D521-R569 HydrophobicContact CB-CB 4.07Å; D521-R569 CarbonylContact O-C 3.55Å; D521-R569 WeakPolarHBondContact O-CA 3.48Å; D521-R569 WeakPolarHBondContact O-CB 3.29Å; D521-T570 PolarHBondContact O-N 2.75Å
522	D	94.2	Very high	93	Very high	11 Å²	11	69.2 Å²	69.2	6%	0.059	36%	0.359	C	S	.	.			trans	-100.9	15.7	177.8	68.8	-4.4	0	0	0	113.4	T520 L524 K525 T570 R603 V608	T520-D522 PolarHBondContact O-N 3.46Å; D522-L524 VanDerWaalsContact C-N 3.26Å; D522-L524 PolarHBondContact O-N 3.41Å; D522-K525 HydrophobicContact CB-CD 4.23Å; D522-K525 WeakPolarHBondContact O-CD 3.44Å; D522-K525 WeakPolarHBondContact O-CE 3.44Å; D522-K525 WeakPolarHBondContact O-CG 3.07Å; D522-K525 PolarHBondContact O-N 3.11Å; D522-K525 IonicContact OD1-NZ 3.1Å; D522-K525 IonicContact OD2-NZ 3.67Å; D522-K525 PolarHBondContact OD2-NZ 3.2Å; D522-T570 HydrophobicContact CB-CG2 3.9Å; D522-R603 IonicContact OD1-NH1 3.82Å; D522-R603 IonicContact OD2-NH1 3.65Å; D522-R603 PolarHBondContact OD2-NH1 3.2Å; D522-V608 HydrophobicContact CB-CG2 4.07Å
523	G	93.4	Very high	92.7	Very high	24 Å²	24	72.4 Å²	72.4	25%	0.247	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-65.6	-25.5	-177.9	0	0	0	0	0	114.2	D521 K525 Y526	D521-G523 PolarHBondContact OD1-N 2.84Å; G523-K525 PolarHBondContact O-N 3.31Å; G523-Y526 PolarHBondContact O-N 3.15Å
524	L	94.9	Very high	92.9	Very high	30 Å²	30	76.9 Å²	76.9	16%	0.157	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-60.8	-26.9	179.4	-78.3	168.3	0	0	0	113	D522 Y526 R527 P538 C540 C571	D522-L524 VanDerWaalsContact C-N 3.26Å; D522-L524 PolarHBondContact O-N 3.41Å; L524-Y526 PolarHBondContact O-N 3.49Å; L524-Y526 VanDerWaalsContact O-N 3.08Å; L524-R527 PolarHBondContact O-N 3.22Å; L524-P538 HydrophobicContact CD2-CB 4.48Å; L524-P538 HydrophobicContact CD2-CG 4.2Å; L524-C540 HydrophobicContact CD1-CB 4.3Å; L524-C571 HydrophobicContact CB-CB 4.18Å
525	K	94.9	Very high	93.1	Very high	3 Å²	3	68.2 Å²	68.2	1%	0.013	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-61.7	-18.5	178.7	77.7	-160.6	170	-179.5	0	113.7	D522 G523 Y528 C571 Y573	D522-K525 HydrophobicContact CB-CD 4.23Å; D522-K525 WeakPolarHBondContact O-CD 3.44Å; D522-K525 WeakPolarHBondContact O-CE 3.44Å; D522-K525 WeakPolarHBondContact O-CG 3.07Å; D522-K525 PolarHBondContact O-N 3.11Å; D522-K525 IonicContact OD1-NZ 3.1Å; D522-K525 IonicContact OD2-NZ 3.67Å; D522-K525 PolarHBondContact OD2-NZ 3.2Å; G523-K525 PolarHBondContact O-N 3.31Å; K525-Y528 WeakPolarHBondContact O-CD1 3.42Å; K525-Y528 VanDerWaalsContact O-CE1 3.23Å; K525-Y528 WeakPolarHBondContact O-CE1 3.27Å; K525-C571 WeakPolarHBondContact CB-O 3.44Å; K525-Y573 HydrophobicContact CD-CD2 4.06Å
526	Y	94.9	Very high	93.3	Very high	55 Å²	55	66.9 Å²	66.9	22%	0.216	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-100.2	-2.6	176.7	-56.6	-56.6	0	0	0	114.2	G523 L524 Y528 C752 T754	G523-Y526 PolarHBondContact O-N 3.15Å; L524-Y526 PolarHBondContact O-N 3.49Å; L524-Y526 VanDerWaalsContact O-N 3.08Å; Y526-Y528 PolarHBondContact O-N 3.24Å; Y526-C752 WeakPolarHBondContact CE1-O 3.49Å; Y526-C752 PolarHBondContact OH-O 2.82Å; Y526-T754 HydrophobicContact CD1-CG2 4.48Å; Y526-T754 HydrophobicContact CE1-CG2 4.47Å
527	R	93.9	Very high	93.3	Very high	173 Å²	173	65 Å²	65	65%	0.653	33%	0.331	S	S	*	.			trans	-97.1	50.5	-172.4	-64.5	-167	-176.9	178.5	1.4	113.4	L524 P538	L524-R527 PolarHBondContact O-N 3.22Å; R527-P538 HydrophobicContact CB-CG 4.25Å; R527-P538 VanDerWaalsContact O-CD 3.22Å; R527-P538 WeakPolarHBondContact O-CD 3.48Å; R527-P538 WeakPolarHBondContact O-CG 3.06Å
528	Y	95.2	Very high	93.1	Very high	19 Å²	19	65.9 Å²	65.9	8%	0.075	34%	0.337	C	S	.	.			trans	-101.1	155	172.6	45.4	-95.3	0	0	0	111.3	K525 Y526 Y535 V536 F537 M637 T754 H755 L757	K525-Y528 WeakPolarHBondContact O-CD1 3.42Å; K525-Y528 VanDerWaalsContact O-CE1 3.23Å; K525-Y528 WeakPolarHBondContact O-CE1 3.27Å; Y526-Y528 PolarHBondContact O-N 3.24Å; Y528-Y535 AromaticContact CD2-CD1 3.92Å; Y528-Y535 HydrophobicContact CD2-CD1 3.92Å; Y528-Y535 HydrophobicContact CD2-CE1 4.08Å; Y528-Y535 HydrophobicContact CE2-CE1 4.35Å; Y528-V536 WeakPolarHBondContact CA-O 3.32Å; Y528-V536 WeakPolarHBondContact CB-O 3.49Å; Y528-F537 HydrophobicContact CD1-CD1 4.07Å; Y528-F537 AromaticContact CD1-CE1 3.89Å; Y528-F537 HydrophobicContact CD1-CE1 3.89Å; Y528-F537 HydrophobicContact CG-CD1 4.19Å; Y528-F537 AromaticContact CG-CE1 3.98Å; Y528-F537 HydrophobicContact CG-CE1 3.98Å; Y528-M637 HydrophobicContact CD1-CE 4.34Å; Y528-M637 HydrophobicContact CD2-CE 3.78Å; Y528-M637 HydrophobicContact CE1-CE 4.03Å; Y528-M637 HydrophobicContact CE2-CE 3.43Å; Y528-M637 VanDerWaalsContact CE2-CE 3.43Å; Y528-M637 HydrophobicContact CG-CE 4.23Å; Y528-T754 HydrophobicContact CE1-CG2 4.44Å; Y528-H755 WeakPolarHBondContact CE2-O 3.4Å; Y528-H755 VanDerWaalsContact CZ-O 3.32Å; Y528-H755 PolarHBondContact OH-N 3.24Å; Y528-H755 PolarHBondContact OH-O 2.83Å; Y528-L757 HydrophobicContact CD2-CD1 4.28Å; Y528-L757 HydrophobicContact CD2-CD2 4.42Å; Y528-L757 HydrophobicContact CD2-CG 4.24Å; Y528-L757 HydrophobicContact CE2-CD2 4.1Å; Y528-L757 HydrophobicContact CE2-CG 4.15Å
529	H	95.1	Very high	92.8	Very high	100 Å²	100	66.2 Å²	66.2	46%	0.463	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	168.8	177.7	63	-80.6	0	0	0	110.9	Y535 V536	H529-Y535 WeakPolarHBondContact O-CA 3.21Å; H529-V536 PolarHBondContact N-O 3.46Å; H529-V536 PolarHBondContact O-N 3.12Å
530	L	93.7	Very high	92.7	Very high	56 Å²	56	62.6 Å²	62.6	29%	0.293	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.8	171.5	-76	168.2	0	0	0	109.7	R534 Y535 L757 Q758	L530-R534 WeakPolarHBondContact CA-O 3.4Å; L530-Y535 HydrophobicContact CD2-CD2 3.71Å; L530-Y535 HydrophobicContact CD2-CE1 4.47Å; L530-Y535 HydrophobicContact CD2-CE2 3.59Å; L530-Y535 HydrophobicContact CD2-CG 4.18Å; L530-L757 HydrophobicContact CD1-CB 4.28Å; L530-L757 HydrophobicContact CD1-CD1 4.47Å; L530-L757 HydrophobicContact CG-CD1 4.07Å; L530-Q758 HydrophobicContact CD1-CG 4.35Å
531	E	93.5	Very high	92.7	Very high	106 Å²	106	68.6 Å²	68.6	50%	0.495	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.8	168.3	-171	179.7	-169.4	0	0	108.1	G533 R534 V536	E531-G533 PolarHBondContact O-N 2.82Å; E531-G533 VanDerWaalsContact O-N 3.12Å; E531-R534 PolarHBondContact N-O 2.82Å; E531-R534 PolarHBondContact O-N 3.18Å; E531-V536 HydrophobicContact CB-CG2 3.7Å
532	N	90.9	Very high	92.8	Very high	157 Å²	157	64.7 Å²	64.7	84%	0.84	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	38	-176.4	-59.3	-46.1	0	0	0	113.8	R534	N532-R534 VanDerWaalsContact C-N 3.28Å; N532-R534 PolarHBondContact O-N 2.86Å
533	G	85.6	Confident	93	Very high	67 Å²	67	65.7 Å²	65.7	69%	0.691	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	7.6	-179.5	0	0	0	0	0	115.3	E531	E531-G533 PolarHBondContact O-N 2.82Å; E531-G533 VanDerWaalsContact O-N 3.12Å
534	R	89.6	Confident	93.2	Very high	197 Å²	197	64.6 Å²	64.6	74%	0.743	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.5	175.9	-63.7	-177.3	179.4	-179.6	-0	110.7	L530 E531 N532 V536	L530-R534 WeakPolarHBondContact CA-O 3.4Å; E531-R534 PolarHBondContact N-O 2.82Å; E531-R534 PolarHBondContact O-N 3.18Å; N532-R534 VanDerWaalsContact C-N 3.28Å; N532-R534 PolarHBondContact O-N 2.86Å; R534-V536 PolarHBondContact O-N 2.71Å
535	Y	92.9	Very high	93.3	Very high	24 Å²	24	65.1 Å²	65.1	9%	0.094	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.9	173.4	-77.3	-100.1	0	0	0	109.4	Y528 H529 L530 L634 M637 L756 L757	Y528-Y535 AromaticContact CD2-CD1 3.92Å; Y528-Y535 HydrophobicContact CD2-CD1 3.92Å; Y528-Y535 HydrophobicContact CD2-CE1 4.08Å; Y528-Y535 HydrophobicContact CE2-CE1 4.35Å; H529-Y535 WeakPolarHBondContact O-CA 3.21Å; L530-Y535 HydrophobicContact CD2-CD2 3.71Å; L530-Y535 HydrophobicContact CD2-CE1 4.47Å; L530-Y535 HydrophobicContact CD2-CE2 3.59Å; L530-Y535 HydrophobicContact CD2-CG 4.18Å; Y535-L634 HydrophobicContact CD2-CD1 3.7Å; Y535-L634 HydrophobicContact CE2-CD1 4.05Å; Y535-L634 HydrophobicContact CG-CD1 4.01Å; Y535-M637 HydrophobicContact CD1-CE 3.76Å; Y535-M637 HydrophobicContact CE1-CE 3.73Å; Y535-L756 HydrophobicContact CE1-CD2 4.35Å; Y535-L756 HydrophobicContact CE2-CD2 3.85Å; Y535-L756 WeakPolarHBondContact OH-CA 3.22Å; Y535-L756 WeakPolarHBondContact OH-CB 3.44Å; Y535-L756 WeakPolarHBondContact OH-CD2 3.48Å; Y535-L757 HydrophobicContact CE1-CB 4.31Å; Y535-L757 HydrophobicContact CE1-CD1 4.1Å; Y535-L757 HydrophobicContact CE1-CG 3.93Å; Y535-L757 PolarHBondContact OH-N 3.06Å
536	V	92.8	Very high	93.4	Very high	48 Å²	48	65.3 Å²	65.3	29%	0.291	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.1	173.4	-179.1	0	0	0	0	108	Y528 H529 E531 R534	Y528-V536 WeakPolarHBondContact CA-O 3.32Å; Y528-V536 WeakPolarHBondContact CB-O 3.49Å; H529-V536 PolarHBondContact N-O 3.46Å; H529-V536 PolarHBondContact O-N 3.12Å; E531-V536 HydrophobicContact CB-CG2 3.7Å; R534-V536 PolarHBondContact O-N 2.71Å
537	F	90.7	Very high	93.5	Very high	21 Å²	21	62.7 Å²	62.7	9%	0.092	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-97.2	139.1	175.6	-59.4	-83.5	0	0	0	109.4	Y528 L628 Q630 R633 M637	Y528-F537 HydrophobicContact CD1-CD1 4.07Å; Y528-F537 AromaticContact CD1-CE1 3.89Å; Y528-F537 HydrophobicContact CD1-CE1 3.89Å; Y528-F537 HydrophobicContact CG-CD1 4.19Å; Y528-F537 AromaticContact CG-CE1 3.98Å; Y528-F537 HydrophobicContact CG-CE1 3.98Å; F537-L628 HydrophobicContact CB-CD1 4.49Å; F537-Q630 HydrophobicContact CD2-CB 4.13Å; F537-Q630 HydrophobicContact CD2-CG 3.81Å; F537-Q630 HydrophobicContact CE2-CB 4.09Å; F537-Q630 HydrophobicContact CE2-CG 4.29Å; F537-R633 HydrophobicContact CD1-CG 4.42Å; F537-R633 HydrophobicContact CE1-CG 3.62Å; F537-R633 HydrophobicContact CE2-CG 4.5Å; F537-R633 HydrophobicContact CZ-CG 3.66Å; F537-M637 HydrophobicContact CE1-CE 4.32Å; F537-M637 HydrophobicContact CE1-SD 3.77Å; F537-M637 HydrophobicContact CZ-CE 4.4Å; F537-M637 HydrophobicContact CZ-SD 3.78Å
538	P	88.8	Confident	93.5	Very high	41 Å²	41	54.8 Å²	54.8	27%	0.266	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-70.3	141	-177.2	28.9	-32.9	0	0	0	110.5	L524 R527	L524-P538 HydrophobicContact CD2-CB 4.48Å; L524-P538 HydrophobicContact CD2-CG 4.2Å; R527-P538 HydrophobicContact CB-CG 4.25Å; R527-P538 VanDerWaalsContact O-CD 3.22Å; R527-P538 WeakPolarHBondContact O-CD 3.48Å; R527-P538 WeakPolarHBondContact O-CG 3.06Å
539	A	87.6	Confident	93.1	Very high	87 Å²	87	55.5 Å²	55.5	72%	0.719	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-60.6	147.5	167.7	0	0	0	0	0	110.1
540	C	93.6	Very high	92.5	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.014	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	118.9	-177.7	-177.7	0	0	0	0	109.9	L524 C571 L626	L524-C540 HydrophobicContact CD1-CB 4.3Å; C540-C571 HydrophobicContact CB-CB 3.78Å; C540-L626 HydrophobicContact CB-CB 4.02Å; C540-L626 PolarHBondContact O-N 3.04Å
541	Q	95.1	Very high	91.9	Very high	136 Å²	136	58.3 Å²	58.3	64%	0.636	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	140.9	166.5	-69.3	179.4	-15.7	0	0	108.4	R569 V624 E625	Q541-R569 WeakPolarHBondContact O-CD 3.36Å; Q541-V624 CarbonylContact C-O 3.54Å; Q541-V624 WeakPolarHBondContact CA-O 3.25Å; Q541-E625 HydrophobicContact CG-CG 4.41Å
542	A	97.3	Very high	91.6	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	160.9	-176.2	0	0	0	0	0	111.4	L567 D568 R569 V624 L626	A542-L567 HydrophobicContact CB-CB 4.13Å; A542-L567 HydrophobicContact CB-CD1 4.12Å; A542-L567 HydrophobicContact CB-CD2 4.49Å; A542-L567 HydrophobicContact CB-CG 4.48Å; A542-D568 VanDerWaalsContact CA-OD1 3.27Å; A542-D568 WeakPolarHBondContact CA-OD1 3.45Å; A542-D568 WeakPolarHBondContact CB-OD1 3.3Å; A542-R569 HydrophobicContact CB-CG 3.96Å; A542-R569 VanDerWaalsContact CB-O 3.27Å; A542-R569 WeakPolarHBondContact CB-O 3.44Å; A542-V624 HydrophobicContact CB-CG2 4.27Å; A542-V624 PolarHBondContact N-O 3.38Å; A542-V624 WeakPolarHBondContact O-CG2 3.29Å; A542-V624 PolarHBondContact O-N 3.3Å; A542-L626 HydrophobicContact CB-CD1 3.81Å
543	T	98.1	Very high	91.7	Very high	33 Å²	33	52.3 Å²	52.3	20%	0.202	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.2	173.2	-55.1	0	0	0	0	110.2	L545 L567 D568 D622 Q623	T543-L545 HydrophobicContact CG2-CD2 4.35Å; T543-L545 PolarHBondContact O-N 2.81Å; T543-L567 WeakPolarHBondContact O-CA 3.47Å; T543-D568 PolarHBondContact N-OD1 2.92Å; T543-D568 PolarHBondContact O-N 2.82Å; T543-D622 WeakPolarHBondContact CA-O 3.4Å; T543-Q623 PolarHBondContact OG1-NE2 3.34Å; T543-Q623 PolarHBondContact OG1-OE1 2.86Å
544	V	97.9	Very high	92.1	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	109.9	169.4	-179.3	0	0	0	0	109.5	L547 V565 L567 L618 G621 D622 V624	V544-L547 HydrophobicContact CG1-CD2 3.75Å; V544-L547 HydrophobicContact CG1-CG 3.96Å; V544-V565 HydrophobicContact CG1-CG1 4.03Å; V544-V565 HydrophobicContact CG2-CG1 4.04Å; V544-L567 HydrophobicContact CB-CD2 4.42Å; V544-L567 HydrophobicContact CG2-CD2 3.91Å; V544-L618 HydrophobicContact CG2-CD1 4.27Å; V544-G621 PolarHBondContact O-N 3.33Å; V544-D622 HydrophobicContact CB-CB 4.49Å; V544-D622 HydrophobicContact CG2-CB 4.14Å; V544-D622 PolarHBondContact N-O 2.77Å; V544-V624 HydrophobicContact CG2-CG1 4.11Å; V544-V624 HydrophobicContact CG2-CG2 4.38Å
545	L	97.5	Very high	92.4	Very high	41 Å²	41	45.9 Å²	45.9	22%	0.215	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-30.9	-179.7	-63.7	-174.2	0	0	0	113.2	V517 P518 T543 I566 D568 T620	V517-L545 HydrophobicContact CG1-CB 3.87Å; V517-L545 HydrophobicContact CG1-CD1 4.01Å; P518-L545 HydrophobicContact CG-CD1 3.75Å; T543-L545 HydrophobicContact CG2-CD2 4.35Å; T543-L545 PolarHBondContact O-N 2.81Å; L545-I566 PolarHBondContact N-O 3.39Å; L545-D568 VanDerWaalsContact CD1-CA 3.44Å; L545-D568 HydrophobicContact CD1-CB 3.77Å; L545-D568 HydrophobicContact CD2-CB 4.19Å; L545-D568 HydrophobicContact CG-CB 4.03Å; L545-T620 VanDerWaalsContact O-CG2 3.28Å; L545-T620 WeakPolarHBondContact O-CG2 3.24Å
546	A	97	Very high	92.5	Very high	6 Å²	6	49 Å²	49	5%	0.05	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	153.6	176.3	0	0	0	0	0	111.6	L512 L553 I566	L512-A546 HydrophobicContact CD2-CB 3.6Å; A546-L553 HydrophobicContact CB-CD2 4.42Å; A546-I566 HydrophobicContact CB-CB 4.28Å; A546-I566 HydrophobicContact CB-CD1 4.19Å; A546-I566 PolarHBondContact N-O 2.89Å; A546-I566 PolarHBondContact O-N 3.4Å
547	L	96.1	Very high	92.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.6	174.2	-61.7	168.9	0	0	0	109.7	V544 L553 V554 V557 G564 V565 L618	V544-L547 HydrophobicContact CG1-CD2 3.75Å; V544-L547 HydrophobicContact CG1-CG 3.96Å; L547-L553 CarbonylContact O-C 3.52Å; L547-L553 VanDerWaalsContact O-CA 3.26Å; L547-L553 WeakPolarHBondContact O-CA 3.3Å; L547-V554 HydrophobicContact CB-CG2 4.04Å; L547-V554 PolarHBondContact O-N 2.91Å; L547-V557 HydrophobicContact CB-CG2 4.14Å; L547-V557 HydrophobicContact CD1-CG2 4.19Å; L547-G564 CarbonylContact C-O 3.59Å; L547-G564 WeakPolarHBondContact CA-O 3.38Å; L547-V565 HydrophobicContact CD2-CB 4.3Å; L547-V565 HydrophobicContact CD2-CG1 4.07Å; L547-V565 HydrophobicContact CD2-CG2 3.91Å; L547-L618 HydrophobicContact CD1-CB 4.45Å; L547-L618 HydrophobicContact CD1-CG 4.41Å; L547-L618 WeakPolarHBondContact CD1-O 3.45Å; L547-L618 HydrophobicContact CD2-CD2 3.62Å; L547-L618 HydrophobicContact CD2-CG 4.04Å
548	Y	93.6	Very high	92.6	Very high	8 Å²	8	46.7 Å²	46.7	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.8	179.2	177.8	-120	0	0	0	110.1	L503 L504 S508 G550 R551 V552 L553 C563 G564	L503-Y548 WeakPolarHBondContact O-CE1 3.25Å; L504-Y548 HydrophobicContact CD2-CD1 3.93Å; L504-Y548 HydrophobicContact CD2-CD2 4.04Å; L504-Y548 HydrophobicContact CD2-CE1 4.39Å; L504-Y548 HydrophobicContact CD2-CG 3.73Å; S508-Y548 WeakPolarHBondContact OG-CE2 3.31Å; Y548-G550 VanDerWaalsContact C-N 3.26Å; Y548-G550 VanDerWaalsContact CE1-CA 3.45Å; Y548-G550 PolarHBondContact O-N 3.39Å; Y548-G550 VanDerWaalsContact OH-C 3.3Å; Y548-G550 PolarHBondContact OH-O 2.67Å; Y548-R551 VanDerWaalsContact CE2-C 3.47Å; Y548-V552 WeakPolarHBondContact CD2-O 3.49Å; Y548-L553 HydrophobicContact CD2-CD2 4.32Å; Y548-C563 CarbonylContact O-C 3.42Å; Y548-C563 VanDerWaalsContact O-CA 3.22Å; Y548-C563 WeakPolarHBondContact O-CA 3.29Å; Y548-C563 VanDerWaalsContact O-CB 3.3Å; Y548-C563 WeakPolarHBondContact O-CB 3.2Å; Y548-G564 PolarHBondContact N-O 3.25Å; Y548-G564 PolarHBondContact O-N 3.34Å
549	D	88.1	Confident	92.6	Very high	33 Å²	33	48 Å²	48	18%	0.176	27%	0.272	C	S	.	.			trans	-88.3	8.7	-175	82.3	-20	0	0	0	114.3	R551 V552 V554 R561	D549-R551 PolarHBondContact OD1-N 3.26Å; D549-V552 PolarHBondContact N-O 2.7Å; D549-V552 VanDerWaalsContact N-O 3.1Å; D549-V552 PolarHBondContact OD1-N 2.96Å; D549-V554 HydrophobicContact CB-CG1 4.27Å; D549-V554 HydrophobicContact CB-CG2 4.19Å; D549-R561 IonicContact OD2-NH2 2.91Å; D549-R561 PolarHBondContact OD2-NH2 3.22Å
550	G	81.9	Confident	92.4	Very high	25 Å²	25	47 Å²	47	26%	0.258	27%	0.271	S	S	.	.	S	Bend	trans	92.2	-3.3	-172.8	0	0	0	0	0	114.3	Y548	Y548-G550 VanDerWaalsContact C-N 3.26Å; Y548-G550 VanDerWaalsContact CE1-CA 3.45Å; Y548-G550 PolarHBondContact O-N 3.39Å; Y548-G550 VanDerWaalsContact OH-C 3.3Å; Y548-G550 PolarHBondContact OH-O 2.67Å
551	R	81.8	Confident	92.2	Very high	190 Å²	190	52.6 Å²	52.6	72%	0.717	29%	0.291	S	S	*	.	S	Bend	trans	-132.2	-46.6	173.8	-62.8	-178.2	179.5	-172	-1	112.3	Y548 D549	Y548-R551 VanDerWaalsContact CE2-C 3.47Å; D549-R551 PolarHBondContact OD1-N 3.26Å
552	V	87.3	Confident	92	Very high	82 Å²	82	48.9 Å²	48.9	50%	0.497	27%	0.271	S	S	.	.	S	Bend	trans	-141.8	165.5	-176.7	-64.4	0	0	0	0	111.3	Y548 D549 V554	Y548-V552 WeakPolarHBondContact CD2-O 3.49Å; D549-V552 PolarHBondContact N-O 2.7Å; D549-V552 VanDerWaalsContact N-O 3.1Å; D549-V552 PolarHBondContact OD1-N 2.96Å; V552-V554 HydrophobicContact CG2-CG1 3.98Å
553	L	92.8	Very high	91.8	Very high	55 Å²	55	48.9 Å²	48.9	29%	0.288	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	134	167.8	-58.4	176.5	0	0	0	109.6	A511 L512 A546 L547 Y548	A511-L553 HydrophobicContact CB-CD1 3.7Å; L512-L553 HydrophobicContact CD2-CD1 3.68Å; L512-L553 HydrophobicContact CD2-CD2 4.04Å; L512-L553 HydrophobicContact CG-CD1 3.82Å; L512-L553 HydrophobicContact CG-CD2 4.33Å; A546-L553 HydrophobicContact CB-CD2 4.42Å; L547-L553 CarbonylContact O-C 3.52Å; L547-L553 VanDerWaalsContact O-CA 3.26Å; L547-L553 WeakPolarHBondContact O-CA 3.3Å; Y548-L553 HydrophobicContact CD2-CD2 4.32Å
554	V	94.4	Very high	91.7	Very high	27 Å²	27	47.3 Å²	47.3	16%	0.164	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.7	-177.8	-64.2	0	0	0	0	110.7	L547 D549 V552 E556 V557	L547-V554 HydrophobicContact CB-CG2 4.04Å; L547-V554 PolarHBondContact O-N 2.91Å; D549-V554 HydrophobicContact CB-CG1 4.27Å; D549-V554 HydrophobicContact CB-CG2 4.19Å; V552-V554 HydrophobicContact CG2-CG1 3.98Å; V554-E556 WeakPolarHBondContact CG2-O 3.43Å; V554-V557 HydrophobicContact CG2-CG2 3.59Å
555	P	94.4	Very high	91.6	Very high	102 Å²	102	47.2 Å²	47.2	66%	0.662	26%	0.261	S	S	*	.	S	Bend	trans	-73	-29.7	179.5	28.7	-34.5	0	0	0	112.6	T620	P555-T620 PolarHBondContact O-N 3.41Å; P555-T620 PolarHBondContact O-OG1 3Å
556	E	95.6	Very high	91.6	Very high	90 Å²	90	45.3 Å²	45.3	42%	0.421	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.6	-179.8	69.6	176.5	-170.2	0	0	112.6	V554 L618 R619	V554-E556 WeakPolarHBondContact CG2-O 3.43Å; E556-L618 CarbonylContact C-O 3.47Å; E556-L618 VanDerWaalsContact CA-O 3.27Å; E556-L618 WeakPolarHBondContact CA-O 3.46Å; E556-R619 HydrophobicContact CB-CG 3.81Å; E556-R619 IonicContact OE2-CZ 2.84Å; E556-R619 IonicContact OE2-NE 3.43Å; E556-R619 PolarHBondContact OE2-NE 3.05Å; E556-R619 IonicContact OE2-NH2 3.53Å; E556-R619 PolarHBondContact OE2-NH2 3.32Å
557	V	94	Very high	91.7	Very high	1 Å²	1	45 Å²	45	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.9	173.8	-179.7	0	0	0	0	108.8	L547 V554 R561 C563 V614 H617 L618	L547-V557 HydrophobicContact CB-CG2 4.14Å; L547-V557 HydrophobicContact CD1-CG2 4.19Å; V554-V557 HydrophobicContact CG2-CG2 3.59Å; V557-R561 HydrophobicContact CG1-CB 3.65Å; V557-C563 HydrophobicContact CB-CB 4.42Å; V557-C563 HydrophobicContact CG1-CB 4.12Å; V557-C563 HydrophobicContact CG2-CB 3.83Å; V557-V614 HydrophobicContact CB-CG2 4.3Å; V557-V614 HydrophobicContact CG1-CB 4.22Å; V557-V614 HydrophobicContact CG1-CG1 4.4Å; V557-V614 HydrophobicContact CG1-CG2 3.79Å; V557-H617 WeakPolarHBondContact O-CA 3.4Å; V557-L618 PolarHBondContact N-O 3.26Å; V557-L618 PolarHBondContact O-N 3.45Å
558	G	91.3	Very high	91.7	Very high	19 Å²	19	46.7 Å²	46.7	20%	0.196	26%	0.257	C	S	.	.			trans	-88.3	175	179.2	0	0	0	0	0	114.6
559	P	88.9	Confident	91.9	Very high	70 Å²	70	51.5 Å²	51.5	46%	0.455	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	146.1	-177.5	-22.2	29.6	0	0	0	114.2	R561 V614	P559-R561 PolarHBondContact O-N 3.36Å; P559-V614 CarbonylContact C-O 3.56Å; P559-V614 WeakPolarHBondContact CA-O 3.44Å
560	G	84.3	Confident	92.4	Very high	66 Å²	66	50 Å²	50	68%	0.68	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	-4	176.3	0	0	0	0	0	115	V614	G560-V614 PolarHBondContact N-O 3.15Å
561	R	88.5	Confident	93	Very high	119 Å²	119	48.9 Å²	48.9	45%	0.449	26%	0.256	S	S	.	.			trans	-91.4	142.7	177	-65	-169.5	68.2	-170.4	-4.7	110.8	D549 V557 P559 V614	D549-R561 IonicContact OD2-NH2 2.91Å; D549-R561 PolarHBondContact OD2-NH2 3.22Å; V557-R561 HydrophobicContact CG1-CB 3.65Å; P559-R561 PolarHBondContact O-N 3.36Å; R561-V614 VanDerWaalsContact O-CB 3.3Å; R561-V614 WeakPolarHBondContact O-CB 3.5Å; R561-V614 WeakPolarHBondContact O-CG2 3.28Å; R561-V614 PolarHBondContact O-N 3.16Å
562	R	90.3	Very high	93.7	Very high	58 Å²	58	39.9 Å²	39.9	22%	0.219	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.2	171.7	-165.4	174.6	149.7	-150.5	-7.7	109.5	P500 L502 E599 Q611 V612	P500-R562 PolarHBondContact O-NH1 3.03Å; P500-R562 PolarHBondContact O-NH2 3.41Å; L502-R562 HydrophobicContact CD1-CG 3.88Å; R562-E599 IonicContact NE-OE2 2.7Å; R562-Q611 HydrophobicContact CG-CG 4.22Å; R562-Q611 VanDerWaalsContact CZ-CD 3.43Å; R562-V612 CarbonylContact C-O 3.51Å; R562-V612 WeakPolarHBondContact CA-O 3.32Å
563	C	93.9	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	160.6	176.5	71.9	0	0	0	0	111.9	L502 Y548 V557 Q611 V612 V614	L502-C563 VanDerWaalsContact CD1-C 3.5Å; Y548-C563 CarbonylContact O-C 3.42Å; Y548-C563 VanDerWaalsContact O-CA 3.22Å; Y548-C563 WeakPolarHBondContact O-CA 3.29Å; Y548-C563 VanDerWaalsContact O-CB 3.3Å; Y548-C563 WeakPolarHBondContact O-CB 3.2Å; V557-C563 HydrophobicContact CB-CB 4.42Å; V557-C563 HydrophobicContact CG1-CB 4.12Å; V557-C563 HydrophobicContact CG2-CB 3.83Å; C563-Q611 WeakPolarHBondContact O-CA 3.34Å; C563-V612 PolarHBondContact N-O 3.43Å; C563-V612 PolarHBondContact O-N 3.42Å; C563-V614 WeakPolarHBondContact SG-CG2 3.4Å
564	G	95.3	Very high	94.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127	165.1	0	0	0	0	0	110.1	L547 Y548 H610	L547-G564 CarbonylContact C-O 3.59Å; L547-G564 WeakPolarHBondContact CA-O 3.38Å; Y548-G564 PolarHBondContact N-O 3.25Å; Y548-G564 PolarHBondContact O-N 3.34Å; G564-H610 CarbonylContact C-O 3.43Å; G564-H610 WeakPolarHBondContact CA-O 3.46Å
565	V	96.9	Very high	94	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.5	178.9	-171.9	0	0	0	0	109.1	V544 L547 L567 L586 H610 V612 L618	V544-V565 HydrophobicContact CG1-CG1 4.03Å; V544-V565 HydrophobicContact CG2-CG1 4.04Å; L547-V565 HydrophobicContact CD2-CB 4.3Å; L547-V565 HydrophobicContact CD2-CG1 4.07Å; L547-V565 HydrophobicContact CD2-CG2 3.91Å; V565-L567 HydrophobicContact CG1-CD2 3.77Å; V565-L567 HydrophobicContact CG1-CG 4.37Å; V565-L586 HydrophobicContact CG1-CD1 4.39Å; V565-H610 HydrophobicContact CB-CB 4.3Å; V565-H610 PolarHBondContact N-O 3.44Å; V565-H610 PolarHBondContact O-N 2.99Å; V565-H610 PolarHBondContact O-ND1 2.97Å; V565-V612 HydrophobicContact CG2-CB 4.26Å; V565-V612 HydrophobicContact CG2-CG2 4.07Å; V565-L618 HydrophobicContact CG1-CD2 4.15Å; V565-L618 HydrophobicContact CG2-CD2 3.6Å
566	I	97.6	Very high	93.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.9	177.3	-57.8	171.4	0	0	0	108	L504 L512 L545 A546 Y607	L504-I566 HydrophobicContact CD1-CD1 3.92Å; L504-I566 HydrophobicContact CD2-CD1 4.27Å; L512-I566 HydrophobicContact CD1-CD1 3.51Å; L512-I566 HydrophobicContact CD2-CD1 3.82Å; L512-I566 HydrophobicContact CG-CD1 4.29Å; L545-I566 PolarHBondContact N-O 3.39Å; A546-I566 HydrophobicContact CB-CB 4.28Å; A546-I566 HydrophobicContact CB-CD1 4.19Å; A546-I566 PolarHBondContact N-O 2.89Å; A546-I566 PolarHBondContact O-N 3.4Å; I566-Y607 HydrophobicContact CG2-CD1 3.92Å
567	L	97.9	Very high	93.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	158.9	-174.7	-57	177.7	0	0	0	110.9	T520 A542 T543 V544 V565 R569 V624 L626	T520-L567 WeakPolarHBondContact CB-O 3.34Å; T520-L567 VanDerWaalsContact CG2-O 3.28Å; T520-L567 WeakPolarHBondContact CG2-O 3.37Å; T520-L567 PolarHBondContact OG1-O 3.17Å; A542-L567 HydrophobicContact CB-CB 4.13Å; A542-L567 HydrophobicContact CB-CD1 4.12Å; A542-L567 HydrophobicContact CB-CD2 4.49Å; A542-L567 HydrophobicContact CB-CG 4.48Å; T543-L567 WeakPolarHBondContact O-CA 3.47Å; V544-L567 HydrophobicContact CB-CD2 4.42Å; V544-L567 HydrophobicContact CG2-CD2 3.91Å; V565-L567 HydrophobicContact CG1-CD2 3.77Å; V565-L567 HydrophobicContact CG1-CG 4.37Å; L567-R569 VanDerWaalsContact C-N 3.33Å; L567-R569 WeakPolarHBondContact CB-O 3.34Å; L567-V624 HydrophobicContact CD1-CG2 4.42Å; L567-V624 HydrophobicContact CD2-CG2 3.82Å; L567-L626 HydrophobicContact CD1-CD1 3.99Å; L567-L626 HydrophobicContact CD1-CD2 3.76Å; L567-L626 HydrophobicContact CD1-CG 4.26Å
568	D	97.6	Very high	92.7	Very high	35 Å²	35	30.6 Å²	30.6	19%	0.187	18%	0.176	C	C	.	.	S	Bend	trans	-67	-36.4	172.3	73.1	-50.1	0	0	0	111.7	D521 A542 T543 L545	D521-D568 PolarHBondContact N-O 3.4Å; A542-D568 VanDerWaalsContact CA-OD1 3.27Å; A542-D568 WeakPolarHBondContact CA-OD1 3.45Å; A542-D568 WeakPolarHBondContact CB-OD1 3.3Å; T543-D568 PolarHBondContact N-OD1 2.92Å; T543-D568 PolarHBondContact O-N 2.82Å; L545-D568 VanDerWaalsContact CD1-CA 3.44Å; L545-D568 HydrophobicContact CD1-CB 3.77Å; L545-D568 HydrophobicContact CD2-CB 4.19Å; L545-D568 HydrophobicContact CG-CB 4.03Å
569	R	97.4	Very high	92.8	Very high	110 Å²	110	29.7 Å²	29.7	42%	0.415	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-145.8	160	175.8	69.5	-171.3	73.3	-168.6	-3.3	111.9	D521 Q541 A542 L567	D521-R569 HydrophobicContact CB-CB 4.07Å; D521-R569 CarbonylContact O-C 3.55Å; D521-R569 WeakPolarHBondContact O-CA 3.48Å; D521-R569 WeakPolarHBondContact O-CB 3.29Å; Q541-R569 WeakPolarHBondContact O-CD 3.36Å; A542-R569 HydrophobicContact CB-CG 3.96Å; A542-R569 VanDerWaalsContact CB-O 3.27Å; A542-R569 WeakPolarHBondContact CB-O 3.44Å; L567-R569 VanDerWaalsContact C-N 3.33Å; L567-R569 WeakPolarHBondContact CB-O 3.34Å
570	T	97.4	Very high	93	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.			trans	-152.8	146.4	175.6	-173.6	0	0	0	0	112.8	T520 D521 D522 F572 V608 H610 L626	T520-T570 HydrophobicContact CG2-CG2 3.77Å; D521-T570 PolarHBondContact O-N 2.75Å; D522-T570 HydrophobicContact CB-CG2 3.9Å; T570-F572 PolarHBondContact OG1-N 3.36Å; T570-V608 HydrophobicContact CG2-CB 4.17Å; T570-V608 HydrophobicContact CG2-CG1 4.07Å; T570-V608 HydrophobicContact CG2-CG2 4.21Å; T570-H610 WeakPolarHBondContact CB-NE2 3.5Å; T570-H610 PolarHBondContact OG1-NE2 3.14Å; T570-L626 WeakPolarHBondContact OG1-CD2 3.46Å
571	C	95.2	Very high	93.4	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.02	13%	0.125	C	C	.	.	S	Bend	trans	-91.6	-6.3	168.2	64	0	0	0	0	112.9	L524 K525 C540 L628 R633	L524-C571 HydrophobicContact CB-CB 4.18Å; K525-C571 WeakPolarHBondContact CB-O 3.44Å; C540-C571 HydrophobicContact CB-CB 3.78Å; C571-L628 HydrophobicContact CB-CD1 4.25Å; C571-R633 PolarHBondContact O-NH2 3.41Å
572	F	95.9	Very high	93.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-77.7	140.7	-180	-75.5	-118	0	0	0	111.4	T570 D582 V598 V601 L626 H627 L628	T570-F572 PolarHBondContact OG1-N 3.36Å; F572-D582 HydrophobicContact CB-CB 4.46Å; F572-D582 HydrophobicContact CD1-CB 3.79Å; F572-D582 HydrophobicContact CE1-CB 4.49Å; F572-D582 HydrophobicContact CG-CB 4.39Å; F572-V598 HydrophobicContact CD1-CG1 4.21Å; F572-V598 HydrophobicContact CE1-CB 3.92Å; F572-V598 HydrophobicContact CE1-CG1 3.99Å; F572-V598 HydrophobicContact CE1-CG2 3.98Å; F572-V598 HydrophobicContact CZ-CB 4.49Å; F572-V598 HydrophobicContact CZ-CG2 4.11Å; F572-V601 HydrophobicContact CB-CG1 4.39Å; F572-V601 HydrophobicContact CB-CG2 4.2Å; F572-V601 HydrophobicContact CD1-CG2 3.85Å; F572-V601 HydrophobicContact CG-CG2 4.42Å; F572-L626 HydrophobicContact CD2-CB 4.4Å; F572-L626 HydrophobicContact CD2-CD2 3.92Å; F572-L626 HydrophobicContact CD2-CG 4.44Å; F572-L626 HydrophobicContact CE2-CB 3.9Å; F572-L626 HydrophobicContact CE2-CD2 4.14Å; F572-L626 HydrophobicContact CE2-CG 4.15Å; F572-H627 WeakPolarHBondContact CZ-O 3.19Å; F572-L628 HydrophobicContact CB-CD2 4.3Å; F572-L628 HydrophobicContact CD1-CD2 3.86Å; F572-L628 HydrophobicContact CD2-CD2 3.5Å; F572-L628 HydrophobicContact CD2-CG 4.44Å; F572-L628 HydrophobicContact CE1-CD2 4.05Å; F572-L628 HydrophobicContact CE2-CD2 3.69Å; F572-L628 HydrophobicContact CE2-CG 4.35Å; F572-L628 HydrophobicContact CG-CD2 3.6Å; F572-L628 HydrophobicContact CZ-CD2 3.97Å
573	Y	96.2	Very high	93.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-87.4	124	170.7	-175.6	-95	0	0	0	109.2	K525 Q576 Q579 H581 D582 C752 T754	K525-Y573 HydrophobicContact CD-CD2 4.06Å; Y573-Q576 HydrophobicContact CE1-CG 4.01Å; Y573-Q576 HydrophobicContact CE2-CG 4.04Å; Y573-Q576 VanDerWaalsContact CZ-CG 3.47Å; Y573-Q576 WeakPolarHBondContact OH-CG 3.36Å; Y573-Q576 PolarHBondContact OH-O 2.91Å; Y573-Q579 HydrophobicContact CD1-CG 4.25Å; Y573-Q579 HydrophobicContact CE1-CB 3.7Å; Y573-Q579 HydrophobicContact CE1-CG 3.74Å; Y573-H581 VanDerWaalsContact O-CA 3.3Å; Y573-H581 WeakPolarHBondContact O-CA 3.41Å; Y573-D582 WeakPolarHBondContact CA-OD2 3.4Å; Y573-D582 WeakPolarHBondContact CB-OD2 3.33Å; Y573-D582 PolarHBondContact N-OD2 2.62Å; Y573-D582 PolarHBondContact O-N 3.35Å; Y573-C752 WeakPolarHBondContact CE2-O 3.47Å; Y573-T754 HydrophobicContact CD2-CG2 3.87Å; Y573-T754 HydrophobicContact CE2-CG2 4.46Å; Y573-T754 HydrophobicContact CG-CG2 4.43Å
574	S	94.4	Very high	92.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-76.2	147.1	169.4	49.9	0	0	0	0	111.2	Q576 V601	S574-Q576 WeakPolarHBondContact O-CG 3.44Å; S574-Q576 PolarHBondContact O-N 3.24Å; S574-Q576 VanDerWaalsContact O-N 3.07Å; S574-Q576 PolarHBondContact OG-OE1 2.98Å; S574-V601 WeakPolarHBondContact CA-O 3.38Å
575	E	90.3	Very high	92.5	Very high	63 Å²	63	28 Å²	28	29%	0.294	14%	0.14	S	C	.	.	S	Bend	trans	-59.5	114.2	176.5	-175.6	179	143	0	0	110.7	R501 Q579 H581 V601	R501-E575 IonicContact CZ-OE1 3.91Å; R501-E575 IonicContact CZ-OE2 3.97Å; R501-E575 IonicContact NH1-OE1 3.58Å; R501-E575 PolarHBondContact NH1-OE1 2.84Å; R501-E575 VanDerWaalsContact NH1-OE1 3.09Å; R501-E575 IonicContact NH1-OE2 3.7Å; R501-E575 PolarHBondContact NH1-OE2 3.48Å; R501-E575 VanDerWaalsContact NH2-CD 3.34Å; R501-E575 IonicContact NH2-OE1 2.66Å; R501-E575 PolarHBondContact NH2-OE1 3.4Å; R501-E575 IonicContact NH2-OE2 2.99Å; R501-E575 PolarHBondContact NH2-OE2 3.05Å; E575-Q579 WeakPolarHBondContact CA-O 3.3Å; E575-H581 HydrophobicContact CB-CB 3.97Å; E575-H581 IonicContact OE2-CD2 3.96Å; E575-V601 PolarHBondContact N-O 2.6Å
576	Q	88.6	Confident	92	Very high	42 Å²	42	28 Å²	28	20%	0.196	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-165.5	159.8	-178.6	66	-170	38.6	0	0	110.6	Y573 S574 G578 Q579 C752	Y573-Q576 HydrophobicContact CE1-CG 4.01Å; Y573-Q576 HydrophobicContact CE2-CG 4.04Å; Y573-Q576 VanDerWaalsContact CZ-CG 3.47Å; Y573-Q576 WeakPolarHBondContact OH-CG 3.36Å; Y573-Q576 PolarHBondContact OH-O 2.91Å; S574-Q576 WeakPolarHBondContact O-CG 3.44Å; S574-Q576 PolarHBondContact O-N 3.24Å; S574-Q576 VanDerWaalsContact O-N 3.07Å; S574-Q576 PolarHBondContact OG-OE1 2.98Å; Q576-G578 PolarHBondContact O-N 3.25Å; Q576-G578 VanDerWaalsContact O-N 3.16Å; Q576-Q579 PolarHBondContact N-O 2.97Å; Q576-Q579 PolarHBondContact O-N 3.31Å; Q576-C752 PolarHBondContact NE2-SG 3.1Å; Q576-C752 VanDerWaalsContact NE2-SG 3.35Å
577	G	83.3	Confident	91.3	Very high	29 Å²	29	29.4 Å²	29.4	30%	0.299	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	25.6	175.8	0	0	0	0	0	114.4	Q579	G577-Q579 VanDerWaalsContact C-N 3.27Å; G577-Q579 PolarHBondContact O-N 2.97Å
578	G	86	Confident	90.7	Very high	28 Å²	28	31.4 Å²	31.4	29%	0.289	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-7.2	-175.5	0	0	0	0	0	115.4	Q576 H664 I665	Q576-G578 PolarHBondContact O-N 3.25Å; Q576-G578 VanDerWaalsContact O-N 3.16Å; G578-H664 CarbonylContact O-C 3.6Å; G578-H664 WeakPolarHBondContact O-CA 3.25Å; G578-I665 PolarHBondContact O-N 3.38Å
579	Q	93.2	Very high	89.8	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-90	132.1	175.1	-177.3	-172.4	-41.6	0	0	111.2	Y573 E575 Q576 G577 C636 H640 I665 T754	Y573-Q579 HydrophobicContact CD1-CG 4.25Å; Y573-Q579 HydrophobicContact CE1-CB 3.7Å; Y573-Q579 HydrophobicContact CE1-CG 3.74Å; E575-Q579 WeakPolarHBondContact CA-O 3.3Å; Q576-Q579 PolarHBondContact N-O 2.97Å; Q576-Q579 PolarHBondContact O-N 3.31Å; G577-Q579 VanDerWaalsContact C-N 3.27Å; G577-Q579 PolarHBondContact O-N 2.97Å; Q579-C636 HydrophobicContact CG-CB 4.19Å; Q579-H640 PolarHBondContact OE1-ND1 2.74Å; Q579-I665 WeakPolarHBondContact CA-O 3.39Å; Q579-I665 HydrophobicContact CB-CB 4.49Å; Q579-I665 HydrophobicContact CG-CG2 4.44Å; Q579-T754 PolarHBondContact NE2-OG1 3.05Å; Q579-T754 PolarHBondContact OE1-OG1 2.79Å
580	S	92	Very high	88.4	Confident	19 Å²	19	33.2 Å²	33.2	13%	0.133	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-59.1	148.3	171.3	-66.7	0	0	0	0	111.9	I665 S666	S580-I665 PolarHBondContact N-O 3.33Å; S580-I665 PolarHBondContact OG-O 2.87Å; S580-S666 WeakPolarHBondContact OG-CB 3.27Å
581	H	93.8	Very high	87.1	Confident	27 Å²	27	35.7 Å²	35.7	13%	0.125	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-59.4	162.2	172.2	62.1	83.1	0	0	0	112.1	Y573 E575 E599 V601 H632	Y573-H581 VanDerWaalsContact O-CA 3.3Å; Y573-H581 WeakPolarHBondContact O-CA 3.41Å; E575-H581 HydrophobicContact CB-CB 3.97Å; E575-H581 IonicContact OE2-CD2 3.96Å; H581-E599 PolarHBondContact CE1-O 3.44Å; H581-V601 HydrophobicContact CB-CB 3.96Å; H581-V601 VanDerWaalsContact CB-O 3.32Å; H581-V601 WeakPolarHBondContact CB-O 3.43Å; H581-H632 PolarHBondContact O-NE2 2.99Å
582	D	90.8	Very high	85.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-74.4	162.2	170	-70.8	-49.6	0	0	0	113.5	F572 Y573 L628 R633	F572-D582 HydrophobicContact CB-CB 4.46Å; F572-D582 HydrophobicContact CD1-CB 3.79Å; F572-D582 HydrophobicContact CE1-CB 4.49Å; F572-D582 HydrophobicContact CG-CB 4.39Å; Y573-D582 WeakPolarHBondContact CA-OD2 3.4Å; Y573-D582 WeakPolarHBondContact CB-OD2 3.33Å; Y573-D582 PolarHBondContact N-OD2 2.62Å; Y573-D582 PolarHBondContact O-N 3.35Å; D582-L628 HydrophobicContact CB-CD2 4.09Å; D582-R633 IonicContact OD1-CZ 2.73Å; D582-R633 IonicContact OD1-NE 3.84Å; D582-R633 PolarHBondContact OD1-NE 2.92Å; D582-R633 IonicContact OD1-NH2 3.79Å; D582-R633 IonicContact OD2-CZ 3.23Å; D582-R633 IonicContact OD2-NE 2.91Å; D582-R633 PolarHBondContact OD2-NE 3.26Å; D582-R633 IonicContact OD2-NH2 2.79Å; D582-R633 PolarHBondContact OD2-NH2 3.06Å
583	R	85.4	Confident	84	Confident	138 Å²	138	51.7 Å²	51.7	52%	0.521	28%	0.276	S	S	.	.			trans	-117.6	161	171	-63.7	179	177	-178.6	-0.5	108.9	D629	R583-D629 HydrophobicContact CB-CB 4.17Å; R583-D629 WeakPolarHBondContact O-CB 3.5Å; R583-D629 PolarHBondContact O-N 3.49Å
584	G	85.3	Confident	82.7	Confident	15 Å²	15	53.3 Å²	53.3	16%	0.155	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.5	-155.7	-178.8	0	0	0	0	0	110.7	V598 H627	G584-V598 PolarHBondContact O-N 3.34Å; G584-H627 CarbonylContact C-O 3.52Å; G584-H627 WeakPolarHBondContact CA-O 3.25Å
585	Y	86.5	Confident	81.8	Confident	78 Å²	78	57.3 Å²	57.3	31%	0.306	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.2	179	56.8	-89.6	0	0	0	111	M587 L595 F596 H627	Y585-M587 HydrophobicContact CD2-CG 3.72Å; Y585-M587 HydrophobicContact CE2-CG 3.62Å; Y585-M587 HydrophobicContact CE2-SD 3.86Å; Y585-L595 HydrophobicContact CD2-CB 4.43Å; Y585-L595 HydrophobicContact CD2-CD2 3.72Å; Y585-L595 HydrophobicContact CD2-CG 4.47Å; Y585-L595 HydrophobicContact CE2-CD2 3.75Å; Y585-L595 HydrophobicContact CG-CD2 4.49Å; Y585-F596 CarbonylContact C-O 3.44Å; Y585-F596 VanDerWaalsContact CA-O 3.26Å; Y585-F596 WeakPolarHBondContact CA-O 3.34Å; Y585-H627 HydrophobicContact CD1-CB 4.11Å; Y585-H627 HydrophobicContact CD2-CB 3.88Å; Y585-H627 AromaticContact CD2-CD2 3.93Å; Y585-H627 HydrophobicContact CE1-CB 3.68Å; Y585-H627 HydrophobicContact CE2-CB 3.43Å; Y585-H627 VanDerWaalsContact CE2-CB 3.43Å; Y585-H627 AromaticContact CE2-CD2 3.38Å; Y585-H627 WeakPolarHBondContact CE2-CD2 3.28Å; Y585-H627 AromaticContact CE2-CG 3.39Å; Y585-H627 HydrophobicContact CG-CB 4.21Å; Y585-H627 AromaticContact CZ-CG 3.56Å; Y585-H627 PolarHBondContact N-O 3.46Å; Y585-H627 PolarHBondContact O-N 2.91Å
586	L	87.8	Confident	81.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	144.5	167.7	-38.1	173.5	0	0	0	108.3	V565 F596 V598 V612 V624 E625 L626	V565-L586 HydrophobicContact CG1-CD1 4.39Å; L586-F596 HydrophobicContact CB-CB 3.95Å; L586-F596 HydrophobicContact CG-CB 4.43Å; L586-F596 PolarHBondContact N-O 3.05Å; L586-F596 WeakPolarHBondContact O-CB 3.38Å; L586-F596 PolarHBondContact O-N 2.67Å; L586-V598 HydrophobicContact CD2-CG2 3.9Å; L586-V598 HydrophobicContact CG-CG2 3.88Å; L586-V612 HydrophobicContact CD1-CG2 4.14Å; L586-V624 HydrophobicContact CB-CB 4.42Å; L586-E625 CarbonylContact C-O 3.53Å; L586-E625 WeakPolarHBondContact CA-O 3.17Å; L586-L626 HydrophobicContact CD2-CD1 4.17Å; L586-L626 HydrophobicContact CD2-CD2 4.41Å; L586-L626 HydrophobicContact CD2-CG 3.67Å
587	M	81.3	Confident	81.2	Confident	30 Å²	30	55.7 Å²	55.7	15%	0.148	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.8	168.1	-62.8	-158	-61.3	0	0	108.7	Y585 L595 V624 E625 H627	Y585-M587 HydrophobicContact CD2-CG 3.72Å; Y585-M587 HydrophobicContact CE2-CG 3.62Å; Y585-M587 HydrophobicContact CE2-SD 3.86Å; M587-L595 HydrophobicContact CG-CD2 3.76Å; M587-L595 HydrophobicContact SD-CD2 3.7Å; M587-V624 CarbonylContact O-C 3.6Å; M587-V624 WeakPolarHBondContact O-CA 3.26Å; M587-E625 PolarHBondContact N-O 3.18Å; M587-E625 PolarHBondContact O-N 3.26Å; M587-H627 WeakPolarHBondContact CE-NE2 3.44Å
588	R	86.5	Confident	81.4	Confident	41 Å²	41	54.7 Å²	54.7	16%	0.155	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	137.8	175.8	-173.2	175.7	68.8	-173.4	-4	110.4	G590 L591 F596 H617 D622 Q623 V624	R588-G590 PolarHBondContact O-N 3.33Å; R588-L591 CarbonylContact O-C 3.51Å; R588-L591 PolarHBondContact O-N 2.93Å; R588-F596 HydrophobicContact CB-CE2 4.12Å; R588-H617 PolarHBondContact NH1-O 2.99Å; R588-D622 VanDerWaalsContact CD-CG 3.46Å; R588-D622 WeakPolarHBondContact CD-OD2 2.99Å; R588-D622 HydrophobicContact CG-CB 4.27Å; R588-D622 IonicContact CZ-OD2 3.03Å; R588-D622 IonicContact NE-OD2 3.24Å; R588-D622 IonicContact NH1-OD2 3.95Å; R588-D622 PolarHBondContact NH1-OD2 2.84Å; R588-Q623 WeakPolarHBondContact CA-O 3.41Å; R588-Q623 WeakPolarHBondContact CG-O 3.37Å; R588-V624 HydrophobicContact CB-CG1 4.45Å
589	D	78.6	Confident	81.2	Confident	115 Å²	115	57 Å²	57	62%	0.615	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	131.4	176	-145.3	9.4	0	0	0	110.6	L591 Q623	D589-L591 VanDerWaalsContact C-N 3.33Å; D589-L591 PolarHBondContact O-N 3.36Å; D589-Q623 HydrophobicContact CB-CB 3.9Å; D589-Q623 PolarHBondContact N-O 3.47Å
590	G	68.8	Low	81	Confident	68 Å²	68	57.4 Å²	57.4	70%	0.701	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-3.4	-172.9	0	0	0	0	0	116.8	R588	R588-G590 PolarHBondContact O-N 3.33Å
591	L	68.3	Low	81.1	Confident	53 Å²	53	56.5 Å²	56.5	28%	0.277	30%	0.296	S	S	.	.			trans	-130.2	63.3	170.6	-76.7	-168.2	0	0	0	111.6	R588 D589 E593 V594 D616	R588-L591 CarbonylContact O-C 3.51Å; R588-L591 PolarHBondContact O-N 2.93Å; D589-L591 VanDerWaalsContact C-N 3.33Å; D589-L591 PolarHBondContact O-N 3.36Å; L591-E593 PolarHBondContact O-N 3.2Å; L591-E593 VanDerWaalsContact O-N 3.17Å; L591-V594 HydrophobicContact CD1-CG2 4.45Å; L591-V594 PolarHBondContact O-N 3.19Å; L591-D616 WeakPolarHBondContact CD1-OD2 3.3Å
592	Q	60.5	Low	81	Confident	144 Å²	144	55.6 Å²	55.6	67%	0.673	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.7	-174.8	-66.2	-174.9	-12.2	0	0	114.6
593	E	65.8	Low	80.9	Confident	194 Å²	194	58.2 Å²	58.2	91%	0.907	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.7	178.2	-61.3	-170.7	168.8	0	0	113.7	L591	L591-E593 PolarHBondContact O-N 3.2Å; L591-E593 VanDerWaalsContact O-N 3.17Å
594	V	69.9	Low	80.9	Confident	34 Å²	34	52.1 Å²	52.1	21%	0.206	28%	0.281	C	S	.	.			trans	-110.2	116.5	-175.3	-177.6	0	0	0	0	110.8	L591 F596 P615 D616	L591-V594 HydrophobicContact CD1-CG2 4.45Å; L591-V594 PolarHBondContact O-N 3.19Å; V594-F596 HydrophobicContact CB-CE2 4.43Å; V594-F596 HydrophobicContact CG1-CD2 4.42Å; V594-F596 HydrophobicContact CG1-CE2 3.88Å; V594-F596 HydrophobicContact CG1-CZ 4.25Å; V594-P615 HydrophobicContact CG1-CB 4.02Å; V594-P615 HydrophobicContact CG1-CG 3.42Å; V594-P615 VanDerWaalsContact CG1-CG 3.42Å; V594-D616 HydrophobicContact CG1-CB 4.06Å
595	L	76.2	Confident	80.9	Confident	84 Å²	84	51.6 Å²	51.6	44%	0.44	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.1	-178.3	-53.7	-175.9	0	0	0	111.6	Y585 M587 S597	Y585-L595 HydrophobicContact CD2-CB 4.43Å; Y585-L595 HydrophobicContact CD2-CD2 3.72Å; Y585-L595 HydrophobicContact CD2-CG 4.47Å; Y585-L595 HydrophobicContact CE2-CD2 3.75Å; Y585-L595 HydrophobicContact CG-CD2 4.49Å; M587-L595 HydrophobicContact CG-CD2 3.76Å; M587-L595 HydrophobicContact SD-CD2 3.7Å; L595-S597 PolarHBondContact O-N 3.43Å
596	F	83.9	Confident	81	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	88.1	176	-66	-103	0	0	0	109.2	Y585 L586 R588 V594 V598 V612 V614 P615 D616 L618	Y585-F596 CarbonylContact C-O 3.44Å; Y585-F596 VanDerWaalsContact CA-O 3.26Å; Y585-F596 WeakPolarHBondContact CA-O 3.34Å; L586-F596 HydrophobicContact CB-CB 3.95Å; L586-F596 HydrophobicContact CG-CB 4.43Å; L586-F596 PolarHBondContact N-O 3.05Å; L586-F596 WeakPolarHBondContact O-CB 3.38Å; L586-F596 PolarHBondContact O-N 2.67Å; R588-F596 HydrophobicContact CB-CE2 4.12Å; V594-F596 HydrophobicContact CB-CE2 4.43Å; V594-F596 HydrophobicContact CG1-CD2 4.42Å; V594-F596 HydrophobicContact CG1-CE2 3.88Å; V594-F596 HydrophobicContact CG1-CZ 4.25Å; F596-V598 PolarHBondContact O-N 3.02Å; F596-V612 HydrophobicContact CB-CG1 3.83Å; F596-V612 HydrophobicContact CD1-CG1 4.14Å; F596-V614 HydrophobicContact CE1-CG1 4.19Å; F596-P615 HydrophobicContact CD1-CG 4.12Å; F596-P615 HydrophobicContact CE1-CG 4.2Å; F596-P615 HydrophobicContact CG-CG 4.27Å; F596-P615 HydrophobicContact CZ-CG 4.44Å; F596-D616 VanDerWaalsContact CE1-O 3.29Å; F596-D616 WeakPolarHBondContact CE1-O 3.45Å; F596-L618 HydrophobicContact CE1-CB 4.1Å; F596-L618 HydrophobicContact CE1-CD1 4.09Å; F596-L618 HydrophobicContact CE1-CG 4.49Å; F596-L618 HydrophobicContact CZ-CD1 4.35Å
597	S	81.1	Confident	81.2	Confident	72 Å²	72	48.1 Å²	48.1	50%	0.503	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	126.3	-178.5	-64.4	0	0	0	0	112.1	L595	L595-S597 PolarHBondContact O-N 3.43Å
598	V	87.4	Confident	81.9	Confident	8 Å²	8	46.7 Å²	46.7	5%	0.048	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	109.5	176	-179.4	0	0	0	0	108.8	F572 G584 L586 F596 V601 H610 V612	F572-V598 HydrophobicContact CD1-CG1 4.21Å; F572-V598 HydrophobicContact CE1-CB 3.92Å; F572-V598 HydrophobicContact CE1-CG1 3.99Å; F572-V598 HydrophobicContact CE1-CG2 3.98Å; F572-V598 HydrophobicContact CZ-CB 4.49Å; F572-V598 HydrophobicContact CZ-CG2 4.11Å; G584-V598 PolarHBondContact O-N 3.34Å; L586-V598 HydrophobicContact CD2-CG2 3.9Å; L586-V598 HydrophobicContact CG-CG2 3.88Å; F596-V598 PolarHBondContact O-N 3.02Å; V598-V601 HydrophobicContact CG1-CG2 3.49Å; V598-V601 VanDerWaalsContact CG1-CG2 3.49Å; V598-H610 HydrophobicContact CG1-CB 4.36Å; V598-V612 HydrophobicContact CG2-CG2 4.18Å
599	E	82.8	Confident	82.4	Confident	76 Å²	76	44.8 Å²	44.8	36%	0.355	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-36	-175.7	-62.5	172.9	176	0	0	112.4	R562 H581 Q611 T613	R562-E599 IonicContact NE-OE2 2.7Å; H581-E599 PolarHBondContact CE1-O 3.44Å; E599-Q611 HydrophobicContact CB-CG 4.37Å; E599-Q611 PolarHBondContact N-O 2.93Å; E599-Q611 PolarHBondContact OE2-NE2 2.88Å; E599-T613 VanDerWaalsContact OE1-CB 3.24Å; E599-T613 WeakPolarHBondContact OE1-CB 3.3Å; E599-T613 PolarHBondContact OE1-OG1 2.94Å
600	A	88.3	Confident	83.2	Confident	10 Å²	10	39.3 Å²	39.3	8%	0.083	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	151.4	179.7	0	0	0	0	0	111	Q611	A600-Q611 HydrophobicContact CB-CB 4.02Å; A600-Q611 WeakPolarHBondContact O-CB 3Å; A600-Q611 PolarHBondContact O-N 2.94Å
601	V	93.9	Very high	84.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	119.8	172.7	-169.8	0	0	0	0	109.1	F572 S574 E575 H581 V598 V608 V609	F572-V601 HydrophobicContact CB-CG1 4.39Å; F572-V601 HydrophobicContact CB-CG2 4.2Å; F572-V601 HydrophobicContact CD1-CG2 3.85Å; F572-V601 HydrophobicContact CG-CG2 4.42Å; S574-V601 WeakPolarHBondContact CA-O 3.38Å; E575-V601 PolarHBondContact N-O 2.6Å; H581-V601 HydrophobicContact CB-CB 3.96Å; H581-V601 VanDerWaalsContact CB-O 3.32Å; H581-V601 WeakPolarHBondContact CB-O 3.43Å; V598-V601 HydrophobicContact CG1-CG2 3.49Å; V598-V601 VanDerWaalsContact CG1-CG2 3.49Å; V601-V608 HydrophobicContact CG1-CG1 3.31Å; V601-V609 WeakPolarHBondContact CA-O 3.13Å
602	N	91.4	Very high	85.4	Confident	8 Å²	8	34.1 Å²	34.1	4%	0.043	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	164.1	-179.5	-61.2	-78.9	0	0	0	110.3	L503 V609	L503-N602 HydrophobicContact CD2-CB 3.86Å; N602-V609 PolarHBondContact N-O 3.46Å; N602-V609 PolarHBondContact O-N 3.39Å
603	R	88.4	Confident	86.6	Confident	54 Å²	54	30 Å²	30	20%	0.204	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.7	176.9	-173.7	176.4	169.6	122.9	3.3	109.9	D98 D522 Y607	D98-R603 IonicContact OD1-NH2 2.98Å; D98-R603 IonicContact OD2-CZ 3.29Å; D98-R603 IonicContact OD2-NE 3.27Å; D98-R603 PolarHBondContact OD2-NE 3.15Å; D98-R603 IonicContact OD2-NH2 2.71Å; D98-R603 PolarHBondContact OD2-NH2 3.2Å; D522-R603 IonicContact OD1-NH1 3.82Å; D522-R603 IonicContact OD2-NH1 3.65Å; D522-R603 PolarHBondContact OD2-NH1 3.2Å; R603-Y607 VanDerWaalsContact CA-O 3.31Å; R603-Y607 WeakPolarHBondContact CA-O 3.42Å
604	A	87.2	Confident	87.6	Confident	10 Å²	10	20.8 Å²	20.8	8%	0.083	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	125.8	177.4	0	0	0	0	0	110.2	L504 L509 G606 Y607	L504-A604 HydrophobicContact CB-CB 4.27Å; L509-A604 HydrophobicContact CD2-CB 4.39Å; A604-G606 PolarHBondContact O-N 3.46Å; A604-G606 VanDerWaalsContact O-N 3.13Å; A604-Y607 PolarHBondContact N-O 3.17Å; A604-Y607 PolarHBondContact O-N 2.8Å
605	G	84.4	Confident	88	Confident	4 Å²	4	22 Å²	22	4%	0.041	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	33.2	176.9	0	0	0	0	0	114.1	G95 T96 H519 Y607	G95-G605 WeakPolarHBondContact O-CA 3.13Å; T96-G605 PolarHBondContact O-N 2.82Å; H519-G605 PolarHBondContact CE1-O 3.48Å; H519-G605 PolarHBondContact ND1-O 3.18Å; G605-Y607 VanDerWaalsContact C-N 3.32Å; G605-Y607 WeakPolarHBondContact O-CD2 3.33Å; G605-Y607 PolarHBondContact O-N 3.05Å
606	G	87.7	Confident	88.5	Confident	2 Å²	2	20.4 Å²	20.4	2%	0.021	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-8.6	-176.7	0	0	0	0	0	116.1	A604	A604-G606 PolarHBondContact O-N 3.46Å; A604-G606 VanDerWaalsContact O-N 3.13Å
607	Y	94.1	Very high	88.8	Confident	3 Å²	3	24 Å²	24	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	145.4	175.2	-57.9	-82.4	0	0	0	111.5	L509 L512 V517 P518 H519 I566 R603 A604 G605	L509-Y607 HydrophobicContact CD2-CD2 3.84Å; L509-Y607 HydrophobicContact CD2-CE2 4.24Å; L512-Y607 HydrophobicContact CB-CE1 4.26Å; L512-Y607 HydrophobicContact CB-CE2 3.98Å; L512-Y607 HydrophobicContact CD1-CD1 4.24Å; L512-Y607 HydrophobicContact CD1-CD2 3.79Å; L512-Y607 HydrophobicContact CD1-CE1 4.24Å; L512-Y607 HydrophobicContact CD1-CE2 3.79Å; L512-Y607 HydrophobicContact CD1-CG 4.01Å; V517-Y607 HydrophobicContact CB-CE1 4.39Å; V517-Y607 HydrophobicContact CG1-CE1 4.02Å; V517-Y607 PolarHBondContact O-OH 2.79Å; P518-Y607 WeakPolarHBondContact O-CE1 3.03Å; H519-Y607 AromaticContact CE1-CE2 3.85Å; H519-Y607 AromaticContact CE1-CZ 3.92Å; H519-Y607 AromaticContact ND1-CD2 3.99Å; H519-Y607 AromaticContact ND1-CE1 3.8Å; H519-Y607 AromaticContact ND1-CE2 3.65Å; H519-Y607 AromaticContact ND1-CZ 3.55Å; I566-Y607 HydrophobicContact CG2-CD1 3.92Å; R603-Y607 VanDerWaalsContact CA-O 3.31Å; R603-Y607 WeakPolarHBondContact CA-O 3.42Å; A604-Y607 PolarHBondContact N-O 3.17Å; A604-Y607 PolarHBondContact O-N 2.8Å; G605-Y607 VanDerWaalsContact C-N 3.32Å; G605-Y607 WeakPolarHBondContact O-CD2 3.33Å; G605-Y607 PolarHBondContact O-N 3.05Å
608	V	95.4	Very high	89.4	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.4	170	-177	0	0	0	0	109.1	T520 D522 T570 V601	T520-V608 HydrophobicContact CG2-CB 4.01Å; T520-V608 HydrophobicContact CG2-CG2 4.11Å; T520-V608 PolarHBondContact OG1-N 3.48Å; D522-V608 HydrophobicContact CB-CG2 4.07Å; T570-V608 HydrophobicContact CG2-CB 4.17Å; T570-V608 HydrophobicContact CG2-CG1 4.07Å; T570-V608 HydrophobicContact CG2-CG2 4.21Å; V601-V608 HydrophobicContact CG1-CG1 3.31Å
609	V	95.8	Very high	89.8	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.6	-176.5	-173.5	0	0	0	0	108.8	L504 V601 N602	L504-V609 HydrophobicContact CD1-CG2 3.56Å; L504-V609 HydrophobicContact CG-CG2 3.8Å; V601-V609 WeakPolarHBondContact CA-O 3.13Å; N602-V609 PolarHBondContact N-O 3.46Å; N602-V609 PolarHBondContact O-N 3.39Å
610	H	96.1	Very high	90.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111.3	175.5	-48.7	77.8	0	0	0	108.2	G564 V565 T570 V598	G564-H610 CarbonylContact C-O 3.43Å; G564-H610 WeakPolarHBondContact CA-O 3.46Å; V565-H610 HydrophobicContact CB-CB 4.3Å; V565-H610 PolarHBondContact N-O 3.44Å; V565-H610 PolarHBondContact O-N 2.99Å; V565-H610 PolarHBondContact O-ND1 2.97Å; T570-H610 WeakPolarHBondContact CB-NE2 3.5Å; T570-H610 PolarHBondContact OG1-NE2 3.14Å; V598-H610 HydrophobicContact CG1-CB 4.36Å
611	Q	94.2	Very high	90.8	Very high	12 Å²	12	27.2 Å²	27.2	6%	0.056	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.8	178	-178.9	-175.2	-61.2	0	0	109.9	L502 R562 C563 E599 A600	L502-Q611 HydrophobicContact CD1-CG 4.17Å; R562-Q611 HydrophobicContact CG-CG 4.22Å; R562-Q611 VanDerWaalsContact CZ-CD 3.43Å; C563-Q611 WeakPolarHBondContact O-CA 3.34Å; E599-Q611 HydrophobicContact CB-CG 4.37Å; E599-Q611 PolarHBondContact N-O 2.93Å; E599-Q611 PolarHBondContact OE2-NE2 2.88Å; A600-Q611 HydrophobicContact CB-CB 4.02Å; A600-Q611 WeakPolarHBondContact O-CB 3Å; A600-Q611 PolarHBondContact O-N 2.94Å
612	V	89.7	Confident	90.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136.7	-175.6	175.7	0	0	0	0	109.4	R562 C563 V565 L586 F596 V598 V614	R562-V612 CarbonylContact C-O 3.51Å; R562-V612 WeakPolarHBondContact CA-O 3.32Å; C563-V612 PolarHBondContact N-O 3.43Å; C563-V612 PolarHBondContact O-N 3.42Å; V565-V612 HydrophobicContact CG2-CB 4.26Å; V565-V612 HydrophobicContact CG2-CG2 4.07Å; L586-V612 HydrophobicContact CD1-CG2 4.14Å; F596-V612 HydrophobicContact CB-CG1 3.83Å; F596-V612 HydrophobicContact CD1-CG1 4.14Å; V598-V612 HydrophobicContact CG2-CG2 4.18Å; V612-V614 HydrophobicContact CG1-CG2 4.44Å
613	T	84.6	Confident	91.2	Very high	57 Å²	57	32.4 Å²	32.4	35%	0.35	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	116.8	159.3	-67	0	0	0	0	108.4	E599 P615	E599-T613 VanDerWaalsContact OE1-CB 3.24Å; E599-T613 WeakPolarHBondContact OE1-CB 3.3Å; E599-T613 PolarHBondContact OE1-OG1 2.94Å; T613-P615 WeakPolarHBondContact O-CD 3.44Å
614	V	87.9	Confident	91.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.			trans	-78.5	111.3	-166.2	176.6	0	0	0	0	109.4	V557 P559 G560 R561 C563 F596 V612 D616 L618	V557-V614 HydrophobicContact CB-CG2 4.3Å; V557-V614 HydrophobicContact CG1-CB 4.22Å; V557-V614 HydrophobicContact CG1-CG1 4.4Å; V557-V614 HydrophobicContact CG1-CG2 3.79Å; P559-V614 CarbonylContact C-O 3.56Å; P559-V614 WeakPolarHBondContact CA-O 3.44Å; G560-V614 PolarHBondContact N-O 3.15Å; R561-V614 VanDerWaalsContact O-CB 3.3Å; R561-V614 WeakPolarHBondContact O-CB 3.5Å; R561-V614 WeakPolarHBondContact O-CG2 3.28Å; R561-V614 PolarHBondContact O-N 3.16Å; C563-V614 WeakPolarHBondContact SG-CG2 3.4Å; F596-V614 HydrophobicContact CE1-CG1 4.19Å; V612-V614 HydrophobicContact CG1-CG2 4.44Å; V614-D616 WeakPolarHBondContact CG1-O 3.36Å; V614-L618 HydrophobicContact CG1-CB 4.33Å
615	P	78.1	Confident	91.6	Very high	61 Å²	61	32.6 Å²	32.6	40%	0.396	18%	0.177	S	C	.	.	S	Bend	trans	-76.4	-27.7	177.8	32.3	-38	0	0	0	112.8	V594 F596 T613	V594-P615 HydrophobicContact CG1-CB 4.02Å; V594-P615 HydrophobicContact CG1-CG 3.42Å; V594-P615 VanDerWaalsContact CG1-CG 3.42Å; F596-P615 HydrophobicContact CD1-CG 4.12Å; F596-P615 HydrophobicContact CE1-CG 4.2Å; F596-P615 HydrophobicContact CG-CG 4.27Å; F596-P615 HydrophobicContact CZ-CG 4.44Å; T613-P615 WeakPolarHBondContact O-CD 3.44Å
616	D	87.2	Confident	92	Very high	49 Å²	49	32.7 Å²	32.7	26%	0.262	18%	0.177	S	C	.	.	S	Bend	trans	-147.2	163.6	177.3	-165.3	-2.1	0	0	0	109.4	L591 V594 F596 V614 L618	L591-D616 WeakPolarHBondContact CD1-OD2 3.3Å; V594-D616 HydrophobicContact CG1-CB 4.06Å; F596-D616 VanDerWaalsContact CE1-O 3.29Å; F596-D616 WeakPolarHBondContact CE1-O 3.45Å; V614-D616 WeakPolarHBondContact CG1-O 3.36Å; D616-L618 PolarHBondContact O-N 2.9Å
617	H	89.7	Confident	91.8	Very high	75 Å²	75	34.5 Å²	34.5	35%	0.347	18%	0.184	S	C	.	.			trans	-48.9	129.3	-175.2	-62.7	78.4	0	0	0	112.9	V557 R588	V557-H617 WeakPolarHBondContact O-CA 3.4Å; R588-H617 PolarHBondContact NH1-O 2.99Å
618	L	92.8	Very high	91.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.2	171.8	-167.7	65.2	0	0	0	109.1	V544 L547 E556 V557 V565 F596 V614 D616 D622	V544-L618 HydrophobicContact CG2-CD1 4.27Å; L547-L618 HydrophobicContact CD1-CB 4.45Å; L547-L618 HydrophobicContact CD1-CG 4.41Å; L547-L618 WeakPolarHBondContact CD1-O 3.45Å; L547-L618 HydrophobicContact CD2-CD2 3.62Å; L547-L618 HydrophobicContact CD2-CG 4.04Å; E556-L618 CarbonylContact C-O 3.47Å; E556-L618 VanDerWaalsContact CA-O 3.27Å; E556-L618 WeakPolarHBondContact CA-O 3.46Å; V557-L618 PolarHBondContact N-O 3.26Å; V557-L618 PolarHBondContact O-N 3.45Å; V565-L618 HydrophobicContact CG1-CD2 4.15Å; V565-L618 HydrophobicContact CG2-CD2 3.6Å; F596-L618 HydrophobicContact CE1-CB 4.1Å; F596-L618 HydrophobicContact CE1-CD1 4.09Å; F596-L618 HydrophobicContact CE1-CG 4.49Å; F596-L618 HydrophobicContact CZ-CD1 4.35Å; V614-L618 HydrophobicContact CG1-CB 4.33Å; D616-L618 PolarHBondContact O-N 2.9Å; L618-D622 HydrophobicContact CD1-CB 4.39Å
619	R	95.9	Very high	91	Very high	126 Å²	126	38.6 Å²	38.6	48%	0.475	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	151.9	-178.2	-62.3	-172.7	167.4	143.6	0.6	112	E556 G621 D622	E556-R619 HydrophobicContact CB-CG 3.81Å; E556-R619 IonicContact OE2-CZ 2.84Å; E556-R619 IonicContact OE2-NE 3.43Å; E556-R619 PolarHBondContact OE2-NE 3.05Å; E556-R619 IonicContact OE2-NH2 3.53Å; E556-R619 PolarHBondContact OE2-NH2 3.32Å; R619-G621 PolarHBondContact O-N 2.97Å; R619-D622 PolarHBondContact N-OD2 3.03Å; R619-D622 WeakPolarHBondContact O-CB 3.22Å; R619-D622 PolarHBondContact O-N 3.05Å
620	T	96.4	Very high	90.6	Very high	64 Å²	64	43.4 Å²	43.4	39%	0.393	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	132.2	165.7	-58.5	0	0	0	0	109.4	L545 P555	L545-T620 VanDerWaalsContact O-CG2 3.28Å; L545-T620 WeakPolarHBondContact O-CG2 3.24Å; P555-T620 PolarHBondContact O-N 3.41Å; P555-T620 PolarHBondContact O-OG1 3Å
621	G	96.1	Very high	90	Very high	45 Å²	45	46.7 Å²	46.7	46%	0.464	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	-12.6	-174.5	0	0	0	0	0	114.8	V544 R619	V544-G621 PolarHBondContact O-N 3.33Å; R619-G621 PolarHBondContact O-N 2.97Å
622	D	96.3	Very high	89.6	Confident	31 Å²	31	46.8 Å²	46.8	17%	0.166	26%	0.256	C	S	.	.			trans	-60.6	138.7	177.2	-76.6	-9	0	0	0	110.8	T543 V544 R588 L618 R619	T543-D622 WeakPolarHBondContact CA-O 3.4Å; V544-D622 HydrophobicContact CB-CB 4.49Å; V544-D622 HydrophobicContact CG2-CB 4.14Å; V544-D622 PolarHBondContact N-O 2.77Å; R588-D622 VanDerWaalsContact CD-CG 3.46Å; R588-D622 WeakPolarHBondContact CD-OD2 2.99Å; R588-D622 HydrophobicContact CG-CB 4.27Å; R588-D622 IonicContact CZ-OD2 3.03Å; R588-D622 IonicContact NE-OD2 3.24Å; R588-D622 IonicContact NH1-OD2 3.95Å; R588-D622 PolarHBondContact NH1-OD2 2.84Å; L618-D622 HydrophobicContact CD1-CB 4.39Å; R619-D622 PolarHBondContact N-OD2 3.03Å; R619-D622 WeakPolarHBondContact O-CB 3.22Å; R619-D622 PolarHBondContact O-N 3.05Å
623	Q	97.1	Very high	89.7	Confident	86 Å²	86	46.8 Å²	46.8	40%	0.402	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.7	170.4	-63.5	-56.7	-50.1	0	0	109.7	T543 R588 D589	T543-Q623 PolarHBondContact OG1-NE2 3.34Å; T543-Q623 PolarHBondContact OG1-OE1 2.86Å; R588-Q623 WeakPolarHBondContact CA-O 3.41Å; R588-Q623 WeakPolarHBondContact CG-O 3.37Å; D589-Q623 HydrophobicContact CB-CB 3.9Å; D589-Q623 PolarHBondContact N-O 3.47Å
624	V	94.2	Very high	90.1	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.7	-178.8	-66.4	0	0	0	0	112	Q541 A542 V544 L567 L586 M587 R588 L626	Q541-V624 CarbonylContact C-O 3.54Å; Q541-V624 WeakPolarHBondContact CA-O 3.25Å; A542-V624 HydrophobicContact CB-CG2 4.27Å; A542-V624 PolarHBondContact N-O 3.38Å; A542-V624 WeakPolarHBondContact O-CG2 3.29Å; A542-V624 PolarHBondContact O-N 3.3Å; V544-V624 HydrophobicContact CG2-CG1 4.11Å; V544-V624 HydrophobicContact CG2-CG2 4.38Å; L567-V624 HydrophobicContact CD1-CG2 4.42Å; L567-V624 HydrophobicContact CD2-CG2 3.82Å; L586-V624 HydrophobicContact CB-CB 4.42Å; M587-V624 CarbonylContact O-C 3.6Å; M587-V624 WeakPolarHBondContact O-CA 3.26Å; R588-V624 HydrophobicContact CB-CG1 4.45Å; V624-L626 HydrophobicContact CB-CD1 4.43Å; V624-L626 HydrophobicContact CG2-CD1 3.78Å
625	E	90.7	Very high	90.3	Very high	64 Å²	64	49 Å²	49	30%	0.299	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	136.2	165.9	-164.3	-179.8	170.4	0	0	109.8	Q541 L586 M587 H627	Q541-E625 HydrophobicContact CG-CG 4.41Å; L586-E625 CarbonylContact C-O 3.53Å; L586-E625 WeakPolarHBondContact CA-O 3.17Å; M587-E625 PolarHBondContact N-O 3.18Å; M587-E625 PolarHBondContact O-N 3.26Å; E625-H627 VanDerWaalsContact CD-CE1 3.43Å; E625-H627 VanDerWaalsContact CG-NE2 3.34Å; E625-H627 WeakPolarHBondContact CG-NE2 3.2Å; E625-H627 IonicContact OE1-CE1 3.89Å; E625-H627 PolarHBondContact OE1-CE1 2.91Å; E625-H627 IonicContact OE1-NE2 3.3Å; E625-H627 IonicContact OE2-NE2 2.65Å
626	L	91.9	Very high	91.1	Very high	7 Å²	7	46 Å²	46	4%	0.037	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.1	-173.1	-83.1	71.7	0	0	0	110	C540 A542 L567 T570 F572 L586 V624	C540-L626 HydrophobicContact CB-CB 4.02Å; C540-L626 PolarHBondContact O-N 3.04Å; A542-L626 HydrophobicContact CB-CD1 3.81Å; L567-L626 HydrophobicContact CD1-CD1 3.99Å; L567-L626 HydrophobicContact CD1-CD2 3.76Å; L567-L626 HydrophobicContact CD1-CG 4.26Å; T570-L626 WeakPolarHBondContact OG1-CD2 3.46Å; F572-L626 HydrophobicContact CD2-CB 4.4Å; F572-L626 HydrophobicContact CD2-CD2 3.92Å; F572-L626 HydrophobicContact CD2-CG 4.44Å; F572-L626 HydrophobicContact CE2-CB 3.9Å; F572-L626 HydrophobicContact CE2-CD2 4.14Å; F572-L626 HydrophobicContact CE2-CG 4.15Å; L586-L626 HydrophobicContact CD2-CD1 4.17Å; L586-L626 HydrophobicContact CD2-CD2 4.41Å; L586-L626 HydrophobicContact CD2-CG 3.67Å; V624-L626 HydrophobicContact CB-CD1 4.43Å; V624-L626 HydrophobicContact CG2-CD1 3.78Å
627	H	83.6	Confident	91.6	Very high	39 Å²	39	43.7 Å²	43.7	18%	0.181	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.7	179.7	-62.3	-88.5	0	0	0	110.9	F572 G584 Y585 M587 E625	F572-H627 WeakPolarHBondContact CZ-O 3.19Å; G584-H627 CarbonylContact C-O 3.52Å; G584-H627 WeakPolarHBondContact CA-O 3.25Å; Y585-H627 HydrophobicContact CD1-CB 4.11Å; Y585-H627 HydrophobicContact CD2-CB 3.88Å; Y585-H627 AromaticContact CD2-CD2 3.93Å; Y585-H627 HydrophobicContact CE1-CB 3.68Å; Y585-H627 HydrophobicContact CE2-CB 3.43Å; Y585-H627 VanDerWaalsContact CE2-CB 3.43Å; Y585-H627 AromaticContact CE2-CD2 3.38Å; Y585-H627 WeakPolarHBondContact CE2-CD2 3.28Å; Y585-H627 AromaticContact CE2-CG 3.39Å; Y585-H627 HydrophobicContact CG-CB 4.21Å; Y585-H627 AromaticContact CZ-CG 3.56Å; Y585-H627 PolarHBondContact N-O 3.46Å; Y585-H627 PolarHBondContact O-N 2.91Å; M587-H627 WeakPolarHBondContact CE-NE2 3.44Å; E625-H627 VanDerWaalsContact CD-CE1 3.43Å; E625-H627 VanDerWaalsContact CG-NE2 3.34Å; E625-H627 WeakPolarHBondContact CG-NE2 3.2Å; E625-H627 IonicContact OE1-CE1 3.89Å; E625-H627 PolarHBondContact OE1-CE1 2.91Å; E625-H627 IonicContact OE1-NE2 3.3Å; E625-H627 IonicContact OE2-NE2 2.65Å
628	L	87.3	Confident	91.9	Very high	23 Å²	23	41.1 Å²	41.1	12%	0.12	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	142.1	175.3	-65	170.1	0	0	0	110.9	F537 C571 F572 D582 Q630	F537-L628 HydrophobicContact CB-CD1 4.49Å; C571-L628 HydrophobicContact CB-CD1 4.25Å; F572-L628 HydrophobicContact CB-CD2 4.3Å; F572-L628 HydrophobicContact CD1-CD2 3.86Å; F572-L628 HydrophobicContact CD2-CD2 3.5Å; F572-L628 HydrophobicContact CD2-CG 4.44Å; F572-L628 HydrophobicContact CE1-CD2 4.05Å; F572-L628 HydrophobicContact CE2-CD2 3.69Å; F572-L628 HydrophobicContact CE2-CG 4.35Å; F572-L628 HydrophobicContact CG-CD2 3.6Å; F572-L628 HydrophobicContact CZ-CD2 3.97Å; D582-L628 HydrophobicContact CB-CD2 4.09Å; L628-Q630 VanDerWaalsContact C-N 3.28Å; L628-Q630 PolarHBondContact O-N 3.02Å
629	D	85.1	Confident	92.1	Very high	67 Å²	67	41.8 Å²	41.8	36%	0.358	23%	0.23	S	C	.	.			trans	-69.4	92.2	154.6	-177.4	-17.3	0	0	0	108.4	R583 A631 H632 R633	R583-D629 HydrophobicContact CB-CB 4.17Å; R583-D629 WeakPolarHBondContact O-CB 3.5Å; R583-D629 PolarHBondContact O-N 3.49Å; D629-A631 PolarHBondContact O-N 3.4Å; D629-A631 PolarHBondContact OD1-N 3.33Å; D629-A631 VanDerWaalsContact OD1-N 3.15Å; D629-H632 HydrophobicContact CB-CB 3.91Å; D629-H632 VanDerWaalsContact CG-CB 3.42Å; D629-H632 PolarHBondContact O-N 3.19Å; D629-H632 PolarHBondContact OD1-N 2.87Å; D629-H632 WeakPolarHBondContact OD2-CB 3.33Å; D629-R633 PolarHBondContact O-N 2.93Å
630	Q	86.8	Confident	92.2	Very high	103 Å²	103	36.1 Å²	36.1	48%	0.481	21%	0.208	S	C	.	.	H	α-helix	trans	-63.8	-30.6	-176.5	-60.8	-174.4	20.8	0	0	112.2	F537 L628 L634	F537-Q630 HydrophobicContact CD2-CB 4.13Å; F537-Q630 HydrophobicContact CD2-CG 3.81Å; F537-Q630 HydrophobicContact CE2-CB 4.09Å; F537-Q630 HydrophobicContact CE2-CG 4.29Å; L628-Q630 VanDerWaalsContact C-N 3.28Å; L628-Q630 PolarHBondContact O-N 3.02Å; Q630-L634 VanDerWaalsContact O-CB 3.24Å; Q630-L634 WeakPolarHBondContact O-CB 3.34Å; Q630-L634 PolarHBondContact O-N 2.89Å
631	A	84.2	Confident	92.2	Very high	68 Å²	68	33 Å²	33	56%	0.562	19%	0.19	S	C	*	.	H	α-helix	trans	-70.4	-43.5	178.5	0	0	0	0	0	111	D629 S635	D629-A631 PolarHBondContact O-N 3.4Å; D629-A631 PolarHBondContact OD1-N 3.33Å; D629-A631 VanDerWaalsContact OD1-N 3.15Å; A631-S635 WeakPolarHBondContact O-CB 3.26Å; A631-S635 PolarHBondContact O-N 3.48Å; A631-S635 PolarHBondContact O-OG 2.8Å
632	H	86.1	Confident	92.3	Very high	14 Å²	14	30.9 Å²	30.9	7%	0.065	17%	0.167	C	C	.	.	H	α-helix	trans	-60.1	-50.8	171.8	175.7	86.9	0	0	0	111.2	H581 D629 L634 S635 C636 A667	H581-H632 PolarHBondContact O-NE2 2.99Å; D629-H632 HydrophobicContact CB-CB 3.91Å; D629-H632 VanDerWaalsContact CG-CB 3.42Å; D629-H632 PolarHBondContact O-N 3.19Å; D629-H632 PolarHBondContact OD1-N 2.87Å; D629-H632 WeakPolarHBondContact OD2-CB 3.33Å; H632-L634 PolarHBondContact O-N 2.86Å; H632-S635 WeakPolarHBondContact O-CB 3.25Å; H632-S635 PolarHBondContact O-N 2.82Å; H632-C636 PolarHBondContact O-N 2.99Å; H632-C636 PolarHBondContact O-SG 3.17Å; H632-A667 WeakPolarHBondContact ND1-CB 3.48Å
633	R	92.2	Very high	92.2	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-55.1	-50.6	178	168.2	63	76	70	6.6	111.7	F537 C571 D582 D629 S635 C636 M637	F537-R633 HydrophobicContact CD1-CG 4.42Å; F537-R633 HydrophobicContact CE1-CG 3.62Å; F537-R633 HydrophobicContact CE2-CG 4.5Å; F537-R633 HydrophobicContact CZ-CG 3.66Å; C571-R633 PolarHBondContact O-NH2 3.41Å; D582-R633 IonicContact OD1-CZ 2.73Å; D582-R633 IonicContact OD1-NE 3.84Å; D582-R633 PolarHBondContact OD1-NE 2.92Å; D582-R633 IonicContact OD1-NH2 3.79Å; D582-R633 IonicContact OD2-CZ 3.23Å; D582-R633 IonicContact OD2-NE 2.91Å; D582-R633 PolarHBondContact OD2-NE 3.26Å; D582-R633 IonicContact OD2-NH2 2.79Å; D582-R633 PolarHBondContact OD2-NH2 3.06Å; D629-R633 PolarHBondContact O-N 2.93Å; R633-S635 VanDerWaalsContact C-N 3.32Å; R633-S635 PolarHBondContact O-N 2.88Å; R633-C636 WeakPolarHBondContact O-CB 3.5Å; R633-C636 PolarHBondContact O-N 2.97Å; R633-M637 HydrophobicContact CG-CG 4.47Å; R633-M637 HydrophobicContact CG-SD 3.68Å; R633-M637 WeakPolarHBondContact O-CG 3.41Å; R633-M637 PolarHBondContact O-N 3.26Å
634	L	93.6	Very high	92.1	Very high	59 Å²	59	26 Å²	26	31%	0.309	14%	0.144	S	C	.	.	H	α-helix	trans	-63.4	-40.4	-178.9	-176.3	62	0	0	0	111.1	Y535 Q630 H632 C636 M637 V638 L756	Y535-L634 HydrophobicContact CD2-CD1 3.7Å; Y535-L634 HydrophobicContact CE2-CD1 4.05Å; Y535-L634 HydrophobicContact CG-CD1 4.01Å; Q630-L634 VanDerWaalsContact O-CB 3.24Å; Q630-L634 WeakPolarHBondContact O-CB 3.34Å; Q630-L634 PolarHBondContact O-N 2.89Å; H632-L634 PolarHBondContact O-N 2.86Å; L634-C636 VanDerWaalsContact C-N 3.32Å; L634-C636 PolarHBondContact O-N 3.09Å; L634-M637 WeakPolarHBondContact O-CB 3.39Å; L634-M637 PolarHBondContact O-N 2.75Å; L634-M637 VanDerWaalsContact O-N 3.17Å; L634-V638 VanDerWaalsContact O-CG2 3.27Å; L634-V638 WeakPolarHBondContact O-CG2 3.48Å; L634-V638 PolarHBondContact O-N 3.34Å; L634-L756 HydrophobicContact CD1-CD2 3.76Å
635	S	91.9	Very high	92.2	Very high	43 Å²	43	25.8 Å²	25.8	30%	0.301	14%	0.143	S	C	.	.	H	α-helix	trans	-61.2	-40.4	176.3	-61.8	0	0	0	0	112.3	A631 H632 R633 K639	A631-S635 WeakPolarHBondContact O-CB 3.26Å; A631-S635 PolarHBondContact O-N 3.48Å; A631-S635 PolarHBondContact O-OG 2.8Å; H632-S635 WeakPolarHBondContact O-CB 3.25Å; H632-S635 PolarHBondContact O-N 2.82Å; R633-S635 VanDerWaalsContact C-N 3.32Å; R633-S635 PolarHBondContact O-N 2.88Å; S635-K639 PolarHBondContact O-N 3.43Å
636	C	94.3	Very high	92.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.9	-46.4	171.8	-71.9	0	0	0	0	111.6	Q579 H632 R633 L634 V638 K639 H640	Q579-C636 HydrophobicContact CG-CB 4.19Å; H632-C636 PolarHBondContact O-N 2.99Å; H632-C636 PolarHBondContact O-SG 3.17Å; R633-C636 WeakPolarHBondContact O-CB 3.5Å; R633-C636 PolarHBondContact O-N 2.97Å; L634-C636 VanDerWaalsContact C-N 3.32Å; L634-C636 PolarHBondContact O-N 3.09Å; C636-V638 PolarHBondContact O-N 3.09Å; C636-K639 PolarHBondContact O-N 2.97Å; C636-H640 WeakPolarHBondContact O-CB 3.19Å; C636-H640 PolarHBondContact O-N 2.97Å
637	M	97.2	Very high	92.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.4	-42.7	177.8	-70.6	163.4	66.7	0	0	112.8	Y528 Y535 F537 R633 L634 H640 T641 T754 H755 L756	Y528-M637 HydrophobicContact CD1-CE 4.34Å; Y528-M637 HydrophobicContact CD2-CE 3.78Å; Y528-M637 HydrophobicContact CE1-CE 4.03Å; Y528-M637 HydrophobicContact CE2-CE 3.43Å; Y528-M637 VanDerWaalsContact CE2-CE 3.43Å; Y528-M637 HydrophobicContact CG-CE 4.23Å; Y535-M637 HydrophobicContact CD1-CE 3.76Å; Y535-M637 HydrophobicContact CE1-CE 3.73Å; F537-M637 HydrophobicContact CE1-CE 4.32Å; F537-M637 HydrophobicContact CE1-SD 3.77Å; F537-M637 HydrophobicContact CZ-CE 4.4Å; F537-M637 HydrophobicContact CZ-SD 3.78Å; R633-M637 HydrophobicContact CG-CG 4.47Å; R633-M637 HydrophobicContact CG-SD 3.68Å; R633-M637 WeakPolarHBondContact O-CG 3.41Å; R633-M637 PolarHBondContact O-N 3.26Å; L634-M637 WeakPolarHBondContact O-CB 3.39Å; L634-M637 PolarHBondContact O-N 2.75Å; L634-M637 VanDerWaalsContact O-N 3.17Å; M637-H640 PolarHBondContact O-N 3.13Å; M637-T641 WeakPolarHBondContact O-CB 3.16Å; M637-T641 PolarHBondContact O-N 3.05Å; M637-T641 PolarHBondContact O-OG1 3.4Å; M637-T754 VanDerWaalsContact CG-OG1 3.29Å; M637-T754 WeakPolarHBondContact CG-OG1 3.38Å; M637-H755 WeakPolarHBondContact CE-O 3.36Å; M637-L756 HydrophobicContact CB-CD2 4.33Å; M637-L756 HydrophobicContact CB-CG 4.49Å
638	V	97.2	Very high	93	Very high	20 Å²	20	22.5 Å²	22.5	12%	0.121	13%	0.127	C	C	.	.	H	α-helix	trans	-57.2	-54.7	175.3	169	0	0	0	0	110	L634 C636 H640 T641 A642 L756 I762 T784	L634-V638 VanDerWaalsContact O-CG2 3.27Å; L634-V638 WeakPolarHBondContact O-CG2 3.48Å; L634-V638 PolarHBondContact O-N 3.34Å; C636-V638 PolarHBondContact O-N 3.09Å; V638-H640 VanDerWaalsContact C-N 3.33Å; V638-H640 PolarHBondContact O-N 3.01Å; V638-T641 PolarHBondContact O-N 3.31Å; V638-A642 VanDerWaalsContact O-CB 3.26Å; V638-A642 WeakPolarHBondContact O-CB 3.47Å; V638-A642 PolarHBondContact O-N 3.09Å; V638-L756 HydrophobicContact CB-CD1 4.3Å; V638-L756 HydrophobicContact CG2-CD1 3.97Å; V638-L756 HydrophobicContact CG2-CD2 3.97Å; V638-L756 HydrophobicContact CG2-CG 4.34Å; V638-I762 HydrophobicContact CG1-CG2 4.36Å; V638-T784 HydrophobicContact CG1-CG2 4.1Å
639	K	96.9	Very high	93.4	Very high	15 Å²	15	21.4 Å²	21.4	7%	0.065	12%	0.121	C	C	.	.	H	α-helix	trans	-69.1	-31.3	-177	-72.9	171.6	172.3	76.6	0	112.7	S635 C636 T643 I665 S666 A667 L670 T784	S635-K639 PolarHBondContact O-N 3.43Å; C636-K639 PolarHBondContact O-N 2.97Å; K639-T643 PolarHBondContact O-N 3.41Å; K639-T643 PolarHBondContact O-OG1 2.74Å; K639-I665 HydrophobicContact CB-CG2 3.72Å; K639-S666 WeakPolarHBondContact CD-O 3.17Å; K639-A667 VanDerWaalsContact CE-O 3.29Å; K639-A667 WeakPolarHBondContact CE-O 3.48Å; K639-A667 PolarHBondContact NZ-O 2.95Å; K639-L670 HydrophobicContact CB-CB 4.34Å; K639-L670 HydrophobicContact CB-CD1 4.18Å; K639-L670 HydrophobicContact CB-CG 4.46Å; K639-L670 HydrophobicContact CD-CB 4.39Å; K639-L670 HydrophobicContact CG-CB 4.27Å; K639-L670 HydrophobicContact CG-CD1 4.44Å; K639-L670 WeakPolarHBondContact O-CD1 3.31Å; K639-T784 HydrophobicContact CG-CG2 4.18Å
640	H	96.8	Very high	93.8	Very high	6 Å²	6	18.2 Å²	18.2	3%	0.028	10%	0.104	C	C	.	.	H	α-helix	trans	-66.3	-51.9	174.7	-155.2	143.1	0	0	0	110.7	Q579 C636 M637 V638 A642 T643 H644 I665 C751 G753 H755	Q579-H640 PolarHBondContact OE1-ND1 2.74Å; C636-H640 WeakPolarHBondContact O-CB 3.19Å; C636-H640 PolarHBondContact O-N 2.97Å; M637-H640 PolarHBondContact O-N 3.13Å; V638-H640 VanDerWaalsContact C-N 3.33Å; V638-H640 PolarHBondContact O-N 3.01Å; H640-A642 VanDerWaalsContact C-N 3.28Å; H640-A642 PolarHBondContact O-N 2.87Å; H640-T643 WeakPolarHBondContact O-CA 3.34Å; H640-T643 VanDerWaalsContact O-CB 3.27Å; H640-T643 WeakPolarHBondContact O-CB 3.2Å; H640-T643 PolarHBondContact O-N 3.37Å; H640-H644 AromaticContact CD2-CD2 3.75Å; H640-H644 AromaticContact CD2-NE2 3.53Å; H640-H644 AromaticContact NE2-NE2 3.71Å; H640-H644 PolarHBondContact O-CD2 3.38Å; H640-H644 VanDerWaalsContact O-CD2 3.28Å; H640-H644 PolarHBondContact O-N 3.31Å; H640-I665 HydrophobicContact CB-CD1 4.15Å; H640-I665 HydrophobicContact CB-CG2 4.41Å; H640-C751 PolarHBondContact NE2-SG 3.13Å; H640-G753 WeakPolarHBondContact CE1-CA 3.46Å; H640-H755 AromaticContact CD2-CE1 3.43Å; H640-H755 PolarHBondContact CD2-CE1 3.05Å; H640-H755 VanDerWaalsContact CD2-CE1 3.43Å; H640-H755 AromaticContact CG-CE1 3.76Å; H640-H755 AromaticContact NE2-CE1 3.81Å
641	T	97.2	Very high	94	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.8	-41.1	176.7	-45.7	0	0	0	0	111.2	M637 V638 T643 H644 I645 V702 H755 L756 I762	M637-T641 WeakPolarHBondContact O-CB 3.16Å; M637-T641 PolarHBondContact O-N 3.05Å; M637-T641 PolarHBondContact O-OG1 3.4Å; V638-T641 PolarHBondContact O-N 3.31Å; T641-T643 VanDerWaalsContact C-N 3.27Å; T641-T643 PolarHBondContact O-N 3.21Å; T641-H644 WeakPolarHBondContact O-CB 3.23Å; T641-H644 PolarHBondContact O-N 2.86Å; T641-H644 VanDerWaalsContact O-N 3.17Å; T641-I645 PolarHBondContact O-N 2.98Å; T641-V702 HydrophobicContact CG2-CG2 4.27Å; T641-H755 WeakPolarHBondContact OG1-CA 3.33Å; T641-L756 HydrophobicContact CG2-CB 4.32Å; T641-L756 PolarHBondContact OG1-N 3.12Å; T641-I762 HydrophobicContact CG2-CD1 4.05Å
642	A	97.1	Very high	94.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.3	-33.8	173.4	0	0	0	0	0	113.1	V638 H640 I645 L646 L670 I762 L765 T784	V638-A642 VanDerWaalsContact O-CB 3.26Å; V638-A642 WeakPolarHBondContact O-CB 3.47Å; V638-A642 PolarHBondContact O-N 3.09Å; H640-A642 VanDerWaalsContact C-N 3.28Å; H640-A642 PolarHBondContact O-N 2.87Å; A642-I645 PolarHBondContact O-N 3.4Å; A642-L646 WeakPolarHBondContact O-CB 3.38Å; A642-L646 PolarHBondContact O-N 2.82Å; A642-L670 HydrophobicContact CB-CD1 3.88Å; A642-I762 HydrophobicContact CB-CD1 4.2Å; A642-I762 HydrophobicContact CB-CG2 4.36Å; A642-L765 HydrophobicContact CB-CD1 4.14Å; A642-L765 HydrophobicContact CB-CD2 3.93Å; A642-T784 HydrophobicContact CB-CG2 3.78Å
643	T	96	Very high	94.6	Very high	6 Å²	6	17.6 Å²	17.6	4%	0.037	10%	0.097	C	C	.	.	H	α-helix	trans	-65	-40.1	175.6	-59.5	0	0	0	0	111.5	K639 H640 T641 L646 N647 I665 F672	K639-T643 PolarHBondContact O-N 3.41Å; K639-T643 PolarHBondContact O-OG1 2.74Å; H640-T643 WeakPolarHBondContact O-CA 3.34Å; H640-T643 VanDerWaalsContact O-CB 3.27Å; H640-T643 WeakPolarHBondContact O-CB 3.2Å; H640-T643 PolarHBondContact O-N 3.37Å; T641-T643 VanDerWaalsContact C-N 3.27Å; T641-T643 PolarHBondContact O-N 3.21Å; T643-L646 PolarHBondContact O-N 2.85Å; T643-N647 WeakPolarHBondContact O-CB 3.41Å; T643-N647 PolarHBondContact O-N 3.43Å; T643-I665 HydrophobicContact CG2-CD1 4.46Å; T643-F672 HydrophobicContact CG2-CD2 3.63Å; T643-F672 HydrophobicContact CG2-CE2 3.95Å
644	H	95	Very high	94.6	Very high	7 Å²	7	19.2 Å²	19.2	3%	0.032	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-44.1	173.8	-74.4	-80.7	0	0	0	112	H640 T641 N647 F648 E749 H755	H640-H644 AromaticContact CD2-CD2 3.75Å; H640-H644 AromaticContact CD2-NE2 3.53Å; H640-H644 AromaticContact NE2-NE2 3.71Å; H640-H644 PolarHBondContact O-CD2 3.38Å; H640-H644 VanDerWaalsContact O-CD2 3.28Å; H640-H644 PolarHBondContact O-N 3.31Å; T641-H644 WeakPolarHBondContact O-CB 3.23Å; T641-H644 PolarHBondContact O-N 2.86Å; T641-H644 VanDerWaalsContact O-N 3.17Å; H644-N647 PolarHBondContact O-N 2.79Å; H644-F648 WeakPolarHBondContact O-CB 3.38Å; H644-F648 PolarHBondContact O-N 3.31Å; H644-E749 VanDerWaalsContact CE1-CD 3.45Å; H644-E749 IonicContact CE1-OE2 2.72Å; H644-E749 PolarHBondContact CE1-OE2 2.98Å; H644-E749 VanDerWaalsContact CE1-OE2 3.28Å; H644-E749 IonicContact CG-OE1 3.73Å; H644-E749 VanDerWaalsContact ND1-CG 3.32Å; H644-E749 WeakPolarHBondContact ND1-CG 3.34Å; H644-E749 IonicContact ND1-OE1 2.93Å; H644-E749 PolarHBondContact ND1-OE1 2.92Å; H644-E749 IonicContact ND1-OE2 3.53Å; H644-E749 PolarHBondContact ND1-OE2 3.31Å; H644-H755 AromaticContact CD2-CE1 3.38Å; H644-H755 PolarHBondContact CD2-CE1 2.87Å; H644-H755 AromaticContact CD2-ND1 3.75Å; H644-H755 AromaticContact NE2-CE1 3.11Å; H644-H755 PolarHBondContact NE2-CE1 3.19Å; H644-H755 AromaticContact NE2-ND1 3.94Å; H644-H755 AromaticContact NE2-NE2 3.9Å
645	I	95.7	Very high	94.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.3	-43.4	177.1	-61.5	176.4	0	0	0	110.6	T641 A642 F648 A649 I692 V695 I696 L734 T759 I762	T641-I645 PolarHBondContact O-N 2.98Å; A642-I645 PolarHBondContact O-N 3.4Å; I645-F648 PolarHBondContact O-N 3.17Å; I645-A649 VanDerWaalsContact O-CB 3.32Å; I645-A649 WeakPolarHBondContact O-CB 3.44Å; I645-A649 PolarHBondContact O-N 2.85Å; I645-I692 HydrophobicContact CG2-CB 4.39Å; I645-I692 HydrophobicContact CG2-CG1 4.18Å; I645-I692 HydrophobicContact CG2-CG2 4.39Å; I645-V695 HydrophobicContact CD1-CG1 3.88Å; I645-V695 HydrophobicContact CG1-CG1 3.92Å; I645-V695 HydrophobicContact CG2-CB 4.02Å; I645-V695 HydrophobicContact CG2-CG1 4.05Å; I645-I696 HydrophobicContact CD1-CG1 4.01Å; I645-L734 HydrophobicContact CG1-CD1 3.66Å; I645-T759 HydrophobicContact CD1-CG2 4.11Å; I645-I762 HydrophobicContact CD1-CD1 3.4Å; I645-I762 VanDerWaalsContact CD1-CD1 3.4Å
646	L	95.8	Very high	93.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-46	177	177.8	61.9	0	0	0	111.6	A642 T643 A649 L650 L670 F672 V688 I692 L765 I767 I780	A642-L646 WeakPolarHBondContact O-CB 3.38Å; A642-L646 PolarHBondContact O-N 2.82Å; T643-L646 PolarHBondContact O-N 2.85Å; L646-A649 PolarHBondContact O-N 3.4Å; L646-L650 HydrophobicContact CD1-CD1 4Å; L646-L650 HydrophobicContact CD1-CG 4.15Å; L646-L650 HydrophobicContact CG-CD1 3.95Å; L646-L650 WeakPolarHBondContact O-CB 3.32Å; L646-L650 VanDerWaalsContact O-CG 3.27Å; L646-L650 WeakPolarHBondContact O-CG 3.22Å; L646-L650 PolarHBondContact O-N 2.96Å; L646-L670 HydrophobicContact CD2-CD2 4.22Å; L646-F672 HydrophobicContact CD2-CB 3.8Å; L646-F672 HydrophobicContact CD2-CD1 4.12Å; L646-F672 HydrophobicContact CD2-CG 4.06Å; L646-F672 HydrophobicContact CG-CD1 4.41Å; L646-V688 HydrophobicContact CD1-CG1 4.34Å; L646-I692 HydrophobicContact CD1-CD1 3.9Å; L646-L765 HydrophobicContact CB-CD2 4.41Å; L646-I767 HydrophobicContact CD1-CD1 3.9Å; L646-I767 HydrophobicContact CD1-CG1 4.17Å; L646-I780 HydrophobicContact CD1-CD1 4.42Å; L646-I780 HydrophobicContact CD2-CG2 3.84Å
647	N	93.9	Very high	92.5	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-61.1	-46	177.6	-171.6	18.7	0	0	0	111.3	T643 H644 R651 F672 E749	T643-N647 WeakPolarHBondContact O-CB 3.41Å; T643-N647 PolarHBondContact O-N 3.43Å; H644-N647 PolarHBondContact O-N 2.79Å; N647-R651 WeakPolarHBondContact O-CG 3.35Å; N647-R651 PolarHBondContact O-N 2.97Å; N647-R651 VanDerWaalsContact O-N 3.11Å; N647-F672 HydrophobicContact CB-CE2 4.2Å; N647-F672 HydrophobicContact CB-CZ 3.78Å; N647-E749 PolarHBondContact ND2-OE1 2.96Å; N647-E749 PolarHBondContact ND2-OE2 2.77Å
648	F	93.1	Very high	91.9	Very high	37 Å²	37	29.5 Å²	29.5	16%	0.162	15%	0.153	C	C	.	.	H	α-helix	trans	-58.8	-51.6	174.1	174.4	-102.5	0	0	0	111.7	H644 I645 L650 R651 S652 V695	H644-F648 WeakPolarHBondContact O-CB 3.38Å; H644-F648 PolarHBondContact O-N 3.31Å; I645-F648 PolarHBondContact O-N 3.17Å; F648-L650 PolarHBondContact O-N 2.83Å; F648-R651 PolarHBondContact O-N 3.29Å; F648-S652 WeakPolarHBondContact O-CB 3.42Å; F648-S652 PolarHBondContact O-N 3.21Å; F648-S652 PolarHBondContact O-OG 3.12Å; F648-V695 HydrophobicContact CD1-CG2 4.3Å; F648-V695 HydrophobicContact CE1-CG2 4.17Å
649	A	94.8	Very high	91.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-42.6	-178.4	0	0	0	0	0	112.6	I645 L646 R651 S652 V653 V688 C691 I692	I645-A649 VanDerWaalsContact O-CB 3.32Å; I645-A649 WeakPolarHBondContact O-CB 3.44Å; I645-A649 PolarHBondContact O-N 2.85Å; L646-A649 PolarHBondContact O-N 3.4Å; A649-R651 PolarHBondContact O-N 3.16Å; A649-S652 PolarHBondContact O-N 3.02Å; A649-V653 WeakPolarHBondContact O-CB 3.41Å; A649-V653 WeakPolarHBondContact O-CG2 3.27Å; A649-V653 PolarHBondContact O-N 3.38Å; A649-V688 HydrophobicContact CB-CG1 4.06Å; A649-C691 HydrophobicContact CB-CB 4Å; A649-I692 HydrophobicContact CB-CD1 4.47Å; A649-I692 HydrophobicContact CB-CG1 3.75Å
650	L	94.6	Very high	90.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-44.5	175.7	-74.1	167	0	0	0	111.6	L646 F648 V653 L654 V658 F672 F674 L680 V688 I780	L646-L650 HydrophobicContact CD1-CD1 4Å; L646-L650 HydrophobicContact CD1-CG 4.15Å; L646-L650 HydrophobicContact CG-CD1 3.95Å; L646-L650 WeakPolarHBondContact O-CB 3.32Å; L646-L650 VanDerWaalsContact O-CG 3.27Å; L646-L650 WeakPolarHBondContact O-CG 3.22Å; L646-L650 PolarHBondContact O-N 2.96Å; F648-L650 PolarHBondContact O-N 2.83Å; L650-V653 PolarHBondContact O-N 2.73Å; L650-L654 HydrophobicContact CD2-CD1 3.96Å; L650-L654 WeakPolarHBondContact O-CB 3.43Å; L650-L654 VanDerWaalsContact O-CG 3.31Å; L650-L654 WeakPolarHBondContact O-CG 3.41Å; L650-L654 PolarHBondContact O-N 3.49Å; L650-V658 HydrophobicContact CB-CG1 4.39Å; L650-F672 HydrophobicContact CD1-CD1 3.79Å; L650-F672 HydrophobicContact CD1-CE1 3.59Å; L650-F674 HydrophobicContact CD1-CD1 4.03Å; L650-F674 HydrophobicContact CD1-CD2 4.35Å; L650-F674 HydrophobicContact CD1-CE1 4.11Å; L650-F674 HydrophobicContact CD1-CE2 4.37Å; L650-F674 HydrophobicContact CD1-CG 4.17Å; L650-F674 HydrophobicContact CD1-CZ 4.26Å; L650-F674 HydrophobicContact CD2-CE2 4.07Å; L650-F674 HydrophobicContact CD2-CZ 3.97Å; L650-L680 HydrophobicContact CD2-CD2 4.11Å; L650-V688 HydrophobicContact CD2-CG1 4.2Å; L650-V688 HydrophobicContact CD2-CG2 4.07Å; L650-V688 HydrophobicContact CG-CG1 4.41Å; L650-I780 HydrophobicContact CD1-CD1 3.99Å; L650-I780 HydrophobicContact CD2-CD1 3.98Å
651	R	90.8	Very high	90	Very high	62 Å²	62	35.6 Å²	35.6	23%	0.234	18%	0.179	C	C	.	.	H	α-helix	trans	-69.4	-37.9	178.5	-74.7	179.5	64.4	150.2	-1.2	112.9	N647 F648 A649 V653 G655 V658	N647-R651 WeakPolarHBondContact O-CG 3.35Å; N647-R651 PolarHBondContact O-N 2.97Å; N647-R651 VanDerWaalsContact O-N 3.11Å; F648-R651 PolarHBondContact O-N 3.29Å; A649-R651 PolarHBondContact O-N 3.16Å; R651-V653 VanDerWaalsContact C-N 3.3Å; R651-V653 PolarHBondContact O-N 3.23Å; R651-G655 CarbonylContact O-C 3.32Å; R651-G655 WeakPolarHBondContact O-CA 3.37Å; R651-G655 PolarHBondContact O-N 3.06Å; R651-V658 HydrophobicContact CG-CB 3.98Å; R651-V658 HydrophobicContact CG-CG1 4.17Å; R651-V658 WeakPolarHBondContact CG-O 3.29Å
652	S	90.3	Very high	89.2	Confident	69 Å²	69	36.5 Å²	36.5	48%	0.483	19%	0.188	S	C	.	.	H	α-helix	trans	-64.4	-36.4	177.3	-65.5	0	0	0	0	111.9	F648 A649	F648-S652 WeakPolarHBondContact O-CB 3.42Å; F648-S652 PolarHBondContact O-N 3.21Å; F648-S652 PolarHBondContact O-OG 3.12Å; A649-S652 PolarHBondContact O-N 3.02Å
653	V	93.1	Very high	88.8	Confident	40 Å²	40	37.3 Å²	37.3	24%	0.242	19%	0.194	C	C	.	.	H	α-helix	trans	-87.5	-40.8	-179.4	175.8	0	0	0	0	113	A649 L650 R651 Q684 Q687 V688	A649-V653 WeakPolarHBondContact O-CB 3.41Å; A649-V653 WeakPolarHBondContact O-CG2 3.27Å; A649-V653 PolarHBondContact O-N 3.38Å; L650-V653 PolarHBondContact O-N 2.73Å; R651-V653 VanDerWaalsContact C-N 3.3Å; R651-V653 PolarHBondContact O-N 3.23Å; V653-Q684 HydrophobicContact CG1-CB 4.5Å; V653-Q687 HydrophobicContact CG1-CB 3.87Å; V653-Q687 HydrophobicContact CG2-CB 3.97Å; V653-V688 HydrophobicContact CB-CG2 3.85Å; V653-V688 HydrophobicContact CG1-CG2 4.02Å; V653-V688 HydrophobicContact CG2-CG2 3.88Å
654	L	90.8	Very high	88.5	Confident	35 Å²	35	39.9 Å²	39.9	18%	0.183	21%	0.205	C	C	.	.	H	α-helix	trans	-100.4	-10.9	-171.5	-54.3	176.6	0	0	0	113.6	L650 V658 F674 V676 L680 Q684	L650-L654 HydrophobicContact CD2-CD1 3.96Å; L650-L654 WeakPolarHBondContact O-CB 3.43Å; L650-L654 VanDerWaalsContact O-CG 3.31Å; L650-L654 WeakPolarHBondContact O-CG 3.41Å; L650-L654 PolarHBondContact O-N 3.49Å; L654-V658 HydrophobicContact CB-CG2 3.65Å; L654-V658 HydrophobicContact CD1-CG2 4.12Å; L654-F674 HydrophobicContact CD1-CE2 4.04Å; L654-V676 HydrophobicContact CD1-CG2 4.19Å; L654-L680 HydrophobicContact CD1-CD1 4.47Å; L654-L680 HydrophobicContact CD1-CD2 4.17Å; L654-L680 HydrophobicContact CD1-CG 4.25Å; L654-Q684 HydrophobicContact CD2-CB 4.24Å; L654-Q684 HydrophobicContact CD2-CG 4.07Å
655	G	86.2	Confident	88.4	Confident	29 Å²	29	39.5 Å²	39.5	30%	0.299	20%	0.204	S	C	.	.			trans	99	171.6	179.3	0	0	0	0	0	114.8	R651 S657 V658	R651-G655 CarbonylContact O-C 3.32Å; R651-G655 WeakPolarHBondContact O-CA 3.37Å; R651-G655 PolarHBondContact O-N 3.06Å; G655-S657 PolarHBondContact O-N 3.33Å; G655-V658 PolarHBondContact O-N 3.04Å
656	R	76.9	Confident	88.2	Confident	219 Å²	219	40 Å²	40	83%	0.826	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.8	-172.8	-66.2	-177.8	174.4	-178.8	-2.5	114.7	V658	R656-V658 PolarHBondContact O-N 2.88Å
657	S	74.4	Confident	87.5	Confident	67 Å²	67	41.1 Å²	41.1	47%	0.469	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-11.2	176.6	57.2	0	0	0	0	113.5	G655 Q659 S675	G655-S657 PolarHBondContact O-N 3.33Å; S657-Q659 PolarHBondContact O-N 2.94Å; S657-S675 PolarHBondContact O-OG 2.9Å
658	V	83.8	Confident	87	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.018	25%	0.25	C	C	.	.			trans	-75.2	120.1	173.6	174.3	0	0	0	0	109.8	L650 R651 L654 G655 R656 F674	L650-V658 HydrophobicContact CB-CG1 4.39Å; R651-V658 HydrophobicContact CG-CB 3.98Å; R651-V658 HydrophobicContact CG-CG1 4.17Å; R651-V658 WeakPolarHBondContact CG-O 3.29Å; L654-V658 HydrophobicContact CB-CG2 3.65Å; L654-V658 HydrophobicContact CD1-CG2 4.12Å; G655-V658 PolarHBondContact O-N 3.04Å; R656-V658 PolarHBondContact O-N 2.88Å; V658-F674 HydrophobicContact CG1-CB 4.11Å; V658-F674 HydrophobicContact CG1-CD2 3.69Å; V658-F674 HydrophobicContact CG1-CG 4.28Å
659	Q	82.3	Confident	86.8	Confident	82 Å²	82	50.7 Å²	50.7	38%	0.383	26%	0.261	S	S	.	.			trans	-123.5	142.9	177	-65.5	-177.1	-7.6	0	0	110.1	S657 R661 F674 S675	S657-Q659 PolarHBondContact O-N 2.94Å; Q659-R661 PolarHBondContact O-N 3.28Å; Q659-F674 CarbonylContact O-C 3.56Å; Q659-F674 VanDerWaalsContact O-CA 3.26Å; Q659-F674 WeakPolarHBondContact O-CA 3.16Å; Q659-S675 PolarHBondContact N-OG 3.4Å; Q659-S675 PolarHBondContact O-N 3.07Å
660	Q	85.8	Confident	86.8	Confident	44 Å²	44	50.7 Å²	50.7	21%	0.206	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	130.6	169.5	177.1	174.7	-31.1	0	0	109.5	F672	Q660-F672 HydrophobicContact CB-CE2 4.13Å; Q660-F672 HydrophobicContact CB-CZ 4.03Å; Q660-F672 HydrophobicContact CG-CE2 3.78Å; Q660-F672 HydrophobicContact CG-CZ 4.16Å
661	R	81.7	Confident	86.8	Confident	43 Å²	43	53.5 Å²	53.5	16%	0.162	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-21.6	174.6	-65.4	-55.8	-162.7	-163.8	3.9	112.6	G352 Q659 D673 I777	G352-R661 VanDerWaalsContact CA-NH2 3.29Å; Q659-R661 PolarHBondContact O-N 3.28Å; R661-D673 HydrophobicContact CB-CB 4.45Å; R661-D673 PolarHBondContact N-O 3.32Å; R661-I777 HydrophobicContact CG-CD1 4.4Å; R661-I777 HydrophobicContact CG-CG1 4.48Å
662	G	81.1	Confident	87	Confident	19 Å²	19	50.5 Å²	50.5	20%	0.196	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	155.5	173.5	0	0	0	0	0	112.1	D673	G662-D673 PolarHBondContact N-O 2.98Å; G662-D673 PolarHBondContact O-N 3.08Å
663	S	87.9	Confident	87	Confident	17 Å²	17	47.9 Å²	47.9	12%	0.119	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	145.6	173.1	-175.9	0	0	0	0	109	R671	S663-R671 WeakPolarHBondContact CA-O 3.38Å
664	H	89.7	Confident	86.9	Confident	60 Å²	60	46 Å²	46	28%	0.278	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	117.6	169.1	-178.6	75	0	0	0	109	G578 R671	G578-H664 CarbonylContact O-C 3.6Å; G578-H664 WeakPolarHBondContact O-CA 3.25Å; H664-R671 HydrophobicContact CB-CB 4.23Å; H664-R671 PolarHBondContact N-O 2.99Å; H664-R671 PolarHBondContact O-N 2.85Å
665	I	93.2	Very high	86.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	114.3	-173.8	-61.9	151.4	0	0	0	107.6	G578 Q579 S580 K639 H640 T643 R669	G578-I665 PolarHBondContact O-N 3.38Å; Q579-I665 WeakPolarHBondContact CA-O 3.39Å; Q579-I665 HydrophobicContact CB-CB 4.49Å; Q579-I665 HydrophobicContact CG-CG2 4.44Å; S580-I665 PolarHBondContact N-O 3.33Å; S580-I665 PolarHBondContact OG-O 2.87Å; K639-I665 HydrophobicContact CB-CG2 3.72Å; H640-I665 HydrophobicContact CB-CD1 4.15Å; H640-I665 HydrophobicContact CB-CG2 4.41Å; T643-I665 HydrophobicContact CG2-CD1 4.46Å; I665-R669 WeakPolarHBondContact CA-O 2.9Å
666	S	91.2	Very high	86.5	Confident	10 Å²	10	44 Å²	44	7%	0.07	21%	0.213	C	C	.	.			trans	-125.5	172.7	169	64.2	0	0	0	0	109.2	S580 K639 D668 R669	S580-S666 WeakPolarHBondContact OG-CB 3.27Å; K639-S666 WeakPolarHBondContact CD-O 3.17Å; S666-D668 VanDerWaalsContact CB-OD1 3.29Å; S666-D668 WeakPolarHBondContact CB-OD1 3.42Å; S666-D668 PolarHBondContact O-N 3.2Å; S666-D668 VanDerWaalsContact O-N 3.17Å; S666-D668 PolarHBondContact OG-OD1 2.84Å; S666-R669 PolarHBondContact N-O 2.87Å; S666-R669 PolarHBondContact O-N 3.43Å; S666-R669 VanDerWaalsContact OG-CB 3.32Å; S666-R669 WeakPolarHBondContact OG-CB 3.4Å; S666-R669 PolarHBondContact OG-N 3.07Å; S666-R669 VanDerWaalsContact OG-N 3.08Å
667	A	81.4	Confident	86.5	Confident	24 Å²	24	41.8 Å²	41.8	20%	0.198	21%	0.21	C	C	.	.	S	Bend	trans	-58.5	-29.6	177.9	0	0	0	0	0	112.9	H632 K639	H632-A667 WeakPolarHBondContact ND1-CB 3.48Å; K639-A667 VanDerWaalsContact CE-O 3.29Å; K639-A667 WeakPolarHBondContact CE-O 3.48Å; K639-A667 PolarHBondContact NZ-O 2.95Å
668	D	84.1	Confident	86.7	Confident	134 Å²	134	39.7 Å²	39.7	72%	0.717	20%	0.199	S	C	*	.	S	Bend	trans	-98.2	-19.9	-178.5	63.3	-54.5	0	0	0	114	S666	S666-D668 VanDerWaalsContact CB-OD1 3.29Å; S666-D668 WeakPolarHBondContact CB-OD1 3.42Å; S666-D668 PolarHBondContact O-N 3.2Å; S666-D668 VanDerWaalsContact O-N 3.17Å; S666-D668 PolarHBondContact OG-OD1 2.84Å
669	R	88.9	Confident	86.7	Confident	107 Å²	107	43.4 Å²	43.4	40%	0.404	22%	0.223	S	C	.	.			trans	-138.3	135.8	-167.3	-167.2	177.5	179.2	-179.2	3.6	113.8	I665 S666	I665-R669 WeakPolarHBondContact CA-O 2.9Å; S666-R669 PolarHBondContact N-O 2.87Å; S666-R669 PolarHBondContact O-N 3.43Å; S666-R669 VanDerWaalsContact OG-CB 3.32Å; S666-R669 WeakPolarHBondContact OG-CB 3.4Å; S666-R669 PolarHBondContact OG-N 3.07Å; S666-R669 VanDerWaalsContact OG-N 3.08Å
670	L	95.5	Very high	87.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.7	165.2	-169.2	171.5	0	0	0	108.9	K639 A642 L646 F672 L765 V781 A782 T784	K639-L670 HydrophobicContact CB-CB 4.34Å; K639-L670 HydrophobicContact CB-CD1 4.18Å; K639-L670 HydrophobicContact CB-CG 4.46Å; K639-L670 HydrophobicContact CD-CB 4.39Å; K639-L670 HydrophobicContact CG-CB 4.27Å; K639-L670 HydrophobicContact CG-CD1 4.44Å; K639-L670 WeakPolarHBondContact O-CD1 3.31Å; A642-L670 HydrophobicContact CB-CD1 3.88Å; L646-L670 HydrophobicContact CD2-CD2 4.22Å; L670-F672 HydrophobicContact CD2-CB 4.34Å; L670-L765 HydrophobicContact CD1-CD1 4.32Å; L670-V781 WeakPolarHBondContact O-CA 3.46Å; L670-A782 HydrophobicContact CD2-CB 4.23Å; L670-A782 PolarHBondContact O-N 3.2Å; L670-T784 HydrophobicContact CD1-CG2 4.48Å
671	R	94.6	Very high	87.5	Confident	59 Å²	59	40.1 Å²	40.1	22%	0.223	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.8	173.9	-175.1	-164.4	91.4	-160.8	-1.3	109.7	S663 H664 D673 R779 I780	S663-R671 WeakPolarHBondContact CA-O 3.38Å; H664-R671 HydrophobicContact CB-CB 4.23Å; H664-R671 PolarHBondContact N-O 2.99Å; H664-R671 PolarHBondContact O-N 2.85Å; R671-D673 IonicContact CZ-OD2 2.72Å; R671-D673 IonicContact NE-OD1 3.86Å; R671-D673 IonicContact NE-OD2 3.71Å; R671-D673 PolarHBondContact NE-OD2 2.88Å; R671-D673 IonicContact NH2-OD2 3.5Å; R671-D673 PolarHBondContact NH2-OD2 2.82Å; R671-R779 HydrophobicContact CG-CG 4Å; R671-I780 WeakPolarHBondContact CA-O 3.49Å
672	F	94.6	Very high	88.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	123.9	179.2	-171.7	-105.4	0	0	0	111	T643 L646 N647 L650 Q660 L670 F674 R779 I780	T643-F672 HydrophobicContact CG2-CD2 3.63Å; T643-F672 HydrophobicContact CG2-CE2 3.95Å; L646-F672 HydrophobicContact CD2-CB 3.8Å; L646-F672 HydrophobicContact CD2-CD1 4.12Å; L646-F672 HydrophobicContact CD2-CG 4.06Å; L646-F672 HydrophobicContact CG-CD1 4.41Å; N647-F672 HydrophobicContact CB-CE2 4.2Å; N647-F672 HydrophobicContact CB-CZ 3.78Å; L650-F672 HydrophobicContact CD1-CD1 3.79Å; L650-F672 HydrophobicContact CD1-CE1 3.59Å; Q660-F672 HydrophobicContact CB-CE2 4.13Å; Q660-F672 HydrophobicContact CB-CZ 4.03Å; Q660-F672 HydrophobicContact CG-CE2 3.78Å; Q660-F672 HydrophobicContact CG-CZ 4.16Å; L670-F672 HydrophobicContact CD2-CB 4.34Å; F672-F674 HydrophobicContact CD1-CB 4.19Å; F672-F674 AromaticContact CD1-CD1 3.84Å; F672-F674 HydrophobicContact CD1-CD1 3.84Å; F672-F674 HydrophobicContact CD1-CG 4.34Å; F672-F674 HydrophobicContact CE1-CB 3.66Å; F672-F674 HydrophobicContact CE1-CD1 4.07Å; F672-F674 HydrophobicContact CE1-CG 4.1Å; F672-F674 HydrophobicContact CZ-CB 4.43Å; F672-R779 WeakPolarHBondContact O-CA 3.47Å; F672-I780 PolarHBondContact N-O 2.83Å; F672-I780 PolarHBondContact O-N 2.93Å
673	D	90.4	Very high	88.9	Confident	13 Å²	13	41.2 Å²	41.2	7%	0.07	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128	179.9	-59.4	-29.8	0	0	0	108.9	R661 G662 R671 S778 R779	R661-D673 HydrophobicContact CB-CB 4.45Å; R661-D673 PolarHBondContact N-O 3.32Å; G662-D673 PolarHBondContact N-O 2.98Å; G662-D673 PolarHBondContact O-N 3.08Å; R671-D673 IonicContact CZ-OD2 2.72Å; R671-D673 IonicContact NE-OD1 3.86Å; R671-D673 IonicContact NE-OD2 3.71Å; R671-D673 PolarHBondContact NE-OD2 2.88Å; R671-D673 IonicContact NH2-OD2 3.5Å; R671-D673 PolarHBondContact NH2-OD2 2.82Å; D673-S778 WeakPolarHBondContact CA-O 3.41Å; D673-R779 VanDerWaalsContact OD1-CB 3.24Å; D673-R779 WeakPolarHBondContact OD1-CB 3.35Å; D673-R779 WeakPolarHBondContact OD1-CG 3.44Å; D673-R779 IonicContact OD1-CZ 2.87Å; D673-R779 IonicContact OD1-NE 2.81Å; D673-R779 PolarHBondContact OD1-NE 3.18Å; D673-R779 IonicContact OD1-NH2 3.58Å; D673-R779 IonicContact OD2-CZ 3.37Å; D673-R779 IonicContact OD2-NE 3.76Å; D673-R779 IonicContact OD2-NH2 3.74Å; D673-R779 PolarHBondContact OD2-NH2 2.85Å
674	F	90	Very high	89.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	155.5	-175	66.1	-75.9	0	0	0	112.6	L650 L654 V658 Q659 F672 V676 L680 I777 S778 I780	L650-F674 HydrophobicContact CD1-CD1 4.03Å; L650-F674 HydrophobicContact CD1-CD2 4.35Å; L650-F674 HydrophobicContact CD1-CE1 4.11Å; L650-F674 HydrophobicContact CD1-CE2 4.37Å; L650-F674 HydrophobicContact CD1-CG 4.17Å; L650-F674 HydrophobicContact CD1-CZ 4.26Å; L650-F674 HydrophobicContact CD2-CE2 4.07Å; L650-F674 HydrophobicContact CD2-CZ 3.97Å; L654-F674 HydrophobicContact CD1-CE2 4.04Å; V658-F674 HydrophobicContact CG1-CB 4.11Å; V658-F674 HydrophobicContact CG1-CD2 3.69Å; V658-F674 HydrophobicContact CG1-CG 4.28Å; Q659-F674 CarbonylContact O-C 3.56Å; Q659-F674 VanDerWaalsContact O-CA 3.26Å; Q659-F674 WeakPolarHBondContact O-CA 3.16Å; F672-F674 HydrophobicContact CD1-CB 4.19Å; F672-F674 AromaticContact CD1-CD1 3.84Å; F672-F674 HydrophobicContact CD1-CD1 3.84Å; F672-F674 HydrophobicContact CD1-CG 4.34Å; F672-F674 HydrophobicContact CE1-CB 3.66Å; F672-F674 HydrophobicContact CE1-CD1 4.07Å; F672-F674 HydrophobicContact CE1-CG 4.1Å; F672-F674 HydrophobicContact CZ-CB 4.43Å; F674-V676 HydrophobicContact CD2-CB 4.09Å; F674-V676 HydrophobicContact CD2-CG1 4.46Å; F674-V676 HydrophobicContact CE2-CB 3.76Å; F674-V676 HydrophobicContact CE2-CG1 3.95Å; F674-V676 HydrophobicContact CE2-CG2 4.29Å; F674-V676 HydrophobicContact CZ-CG1 4.46Å; F674-L680 HydrophobicContact CE2-CD1 4.15Å; F674-L680 HydrophobicContact CZ-CD1 3.85Å; F674-L680 HydrophobicContact CZ-CD2 4.31Å; F674-I777 WeakPolarHBondContact O-CA 3.42Å; F674-S778 WeakPolarHBondContact CD1-O 3.3Å; F674-S778 PolarHBondContact N-O 3.44Å; F674-S778 PolarHBondContact O-N 3.09Å; F674-I780 HydrophobicContact CD1-CD1 4.32Å; F674-I780 HydrophobicContact CE1-CB 4.48Å; F674-I780 HydrophobicContact CE1-CD1 3.39Å; F674-I780 HydrophobicContact CE1-CG1 3.78Å; F674-I780 HydrophobicContact CZ-CD1 3.81Å; F674-I780 HydrophobicContact CZ-CG1 4.44Å
675	S	83.3	Confident	89.6	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.1	177.1	64.4	0	0	0	0	111.8	S657 Q659 G776	S657-S675 PolarHBondContact O-OG 2.9Å; Q659-S675 PolarHBondContact N-OG 3.4Å; Q659-S675 PolarHBondContact O-N 3.07Å; S675-G776 CarbonylContact C-O 3.46Å; S675-G776 WeakPolarHBondContact CA-O 3.31Å
676	V	86.4	Confident	89.7	Confident	21 Å²	21	43.8 Å²	43.8	13%	0.127	24%	0.238	C	C	.	.			trans	-150.9	144.5	177.8	66.5	0	0	0	0	111.1	L654 F674 G678 L680 G776 S778	L654-V676 HydrophobicContact CD1-CG2 4.19Å; F674-V676 HydrophobicContact CD2-CB 4.09Å; F674-V676 HydrophobicContact CD2-CG1 4.46Å; F674-V676 HydrophobicContact CE2-CB 3.76Å; F674-V676 HydrophobicContact CE2-CG1 3.95Å; F674-V676 HydrophobicContact CE2-CG2 4.29Å; F674-V676 HydrophobicContact CZ-CG1 4.46Å; V676-G678 VanDerWaalsContact C-N 3.28Å; V676-G678 WeakPolarHBondContact CG1-O 3.41Å; V676-G678 WeakPolarHBondContact CG2-O 3.33Å; V676-G678 PolarHBondContact O-N 3.37Å; V676-L680 HydrophobicContact CG1-CD1 4.22Å; V676-L680 HydrophobicContact CG2-CD1 4.06Å; V676-G776 PolarHBondContact N-O 3.34Å; V676-G776 CarbonylContact O-C 3.57Å; V676-G776 VanDerWaalsContact O-C 3.29Å; V676-G776 WeakPolarHBondContact O-CA 3.36Å; V676-S778 WeakPolarHBondContact CG1-OG 3.36Å
677	K	76.2	Confident	90.1	Very high	174 Å²	174	47.3 Å²	47.3	76%	0.757	25%	0.253	S	S	*	.	S	Bend	trans	-62.1	-33	-176.4	-66	-171.4	176.7	-168.3	0	113.3
678	G	79.1	Confident	90.8	Very high	23 Å²	23	46.2 Å²	46.2	24%	0.237	24%	0.244	C	C	.	.	S	Bend	trans	-163.6	179.7	179.8	0	0	0	0	0	112.5	V676 L680	V676-G678 VanDerWaalsContact C-N 3.28Å; V676-G678 WeakPolarHBondContact CG1-O 3.41Å; V676-G678 WeakPolarHBondContact CG2-O 3.33Å; V676-G678 PolarHBondContact O-N 3.37Å; G678-L680 PolarHBondContact O-N 3.46Å
679	P	84.1	Confident	91.4	Very high	81 Å²	81	40 Å²	40	53%	0.526	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-55.7	138.9	175.6	-22.3	32.7	0	0	0	110.9
680	L	91.5	Very high	91.8	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-67.4	145.2	179.9	-76.5	63.3	0	0	0	109.2	L650 L654 F674 V676 G678 L685 E770 R845	L650-L680 HydrophobicContact CD2-CD2 4.11Å; L654-L680 HydrophobicContact CD1-CD1 4.47Å; L654-L680 HydrophobicContact CD1-CD2 4.17Å; L654-L680 HydrophobicContact CD1-CG 4.25Å; F674-L680 HydrophobicContact CE2-CD1 4.15Å; F674-L680 HydrophobicContact CZ-CD1 3.85Å; F674-L680 HydrophobicContact CZ-CD2 4.31Å; V676-L680 HydrophobicContact CG1-CD1 4.22Å; V676-L680 HydrophobicContact CG2-CD1 4.06Å; G678-L680 PolarHBondContact O-N 3.46Å; L680-L685 HydrophobicContact CB-CD2 4.12Å; L680-L685 HydrophobicContact CB-CG 3.91Å; L680-L685 HydrophobicContact CD2-CD2 3.66Å; L680-L685 HydrophobicContact CD2-CG 4.24Å; L680-E770 HydrophobicContact CD1-CG 4.38Å; L680-R845 PolarHBondContact O-NH1 2.7Å
681	S	93.4	Very high	91.8	Very high	53 Å²	53	41.5 Å²	41.5	37%	0.371	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-77	160.9	169	62.7	0	0	0	0	111.3	A683 Q684 L685	S681-A683 PolarHBondContact O-N 2.87Å; S681-Q684 PolarHBondContact O-N 3.36Å; S681-Q684 WeakPolarHBondContact OG-CB 3.36Å; S681-Q684 VanDerWaalsContact OG-CG 3.27Å; S681-Q684 WeakPolarHBondContact OG-CG 3.42Å; S681-Q684 PolarHBondContact OG-N 3.27Å; S681-Q684 VanDerWaalsContact OG-N 3.16Å; S681-Q684 PolarHBondContact OG-OE1 3.36Å; S681-L685 PolarHBondContact O-N 3.29Å
682	S	94.7	Very high	91.9	Very high	31 Å²	31	38.8 Å²	38.8	22%	0.217	21%	0.21	C	C	.	.	H	α-helix	trans	-57.8	-39	173.3	-58.4	0	0	0	0	111.7	L685 Q686 R845	S682-L685 PolarHBondContact O-N 2.92Å; S682-Q686 WeakPolarHBondContact O-CB 3.42Å; S682-Q686 PolarHBondContact O-N 2.58Å; S682-R845 WeakPolarHBondContact OG-CB 3.43Å
683	A	95.8	Very high	92	Very high	53 Å²	53	43.6 Å²	43.6	44%	0.438	23%	0.228	S	C	.	.	H	α-helix	trans	-63.2	-43.4	176.7	0	0	0	0	0	112.6	S681 Q686 Q687	S681-A683 PolarHBondContact O-N 2.87Å; A683-Q686 PolarHBondContact O-N 3.18Å; A683-Q687 WeakPolarHBondContact O-CG 3.22Å; A683-Q687 PolarHBondContact O-N 3.34Å
684	Q	95.9	Very high	92.2	Very high	66 Å²	66	47.9 Å²	47.9	31%	0.308	25%	0.251	S	S	.	.	H	α-helix	trans	-64.3	-44.7	175.1	-76.8	165.4	-42.9	0	0	111.6	V653 L654 S681 Q686 Q687 V688	V653-Q684 HydrophobicContact CG1-CB 4.5Å; L654-Q684 HydrophobicContact CD2-CB 4.24Å; L654-Q684 HydrophobicContact CD2-CG 4.07Å; S681-Q684 PolarHBondContact O-N 3.36Å; S681-Q684 WeakPolarHBondContact OG-CB 3.36Å; S681-Q684 VanDerWaalsContact OG-CG 3.27Å; S681-Q684 WeakPolarHBondContact OG-CG 3.42Å; S681-Q684 PolarHBondContact OG-N 3.27Å; S681-Q684 VanDerWaalsContact OG-N 3.16Å; S681-Q684 PolarHBondContact OG-OE1 3.36Å; Q684-Q686 VanDerWaalsContact C-N 3.27Å; Q684-Q686 PolarHBondContact O-N 3.01Å; Q684-Q687 WeakPolarHBondContact O-CB 3.42Å; Q684-Q687 PolarHBondContact O-N 2.92Å; Q684-V688 WeakPolarHBondContact O-CG2 3.37Å; Q684-V688 PolarHBondContact O-N 3.05Å
685	L	96.8	Very high	92.4	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-37.9	176.1	-73.7	168.4	0	0	0	111.9	L680 S681 S682 V688 D689 I767 Q841 W842	L680-L685 HydrophobicContact CB-CD2 4.12Å; L680-L685 HydrophobicContact CB-CG 3.91Å; L680-L685 HydrophobicContact CD2-CD2 3.66Å; L680-L685 HydrophobicContact CD2-CG 4.24Å; S681-L685 PolarHBondContact O-N 3.29Å; S682-L685 PolarHBondContact O-N 2.92Å; L685-V688 PolarHBondContact O-N 3.21Å; L685-D689 WeakPolarHBondContact O-CB 3.31Å; L685-D689 PolarHBondContact O-N 3.08Å; L685-I767 HydrophobicContact CD2-CD1 4.42Å; L685-Q841 HydrophobicContact CD1-CB 4.49Å; L685-Q841 HydrophobicContact CD1-CG 3.9Å; L685-W842 HydrophobicContact CB-CB 3.68Å; L685-W842 HydrophobicContact CD1-CB 4.47Å
686	Q	96.8	Very high	93	Very high	64 Å²	64	49.1 Å²	49.1	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	-70.7	-35.7	176.4	-165.7	-175.6	34	0	0	112.4	S682 A683 Q684 R690 W842	S682-Q686 WeakPolarHBondContact O-CB 3.42Å; S682-Q686 PolarHBondContact O-N 2.58Å; A683-Q686 PolarHBondContact O-N 3.18Å; Q684-Q686 VanDerWaalsContact C-N 3.27Å; Q684-Q686 PolarHBondContact O-N 3.01Å; Q686-R690 WeakPolarHBondContact O-CG 3.28Å; Q686-R690 PolarHBondContact O-N 3.26Å; Q686-W842 HydrophobicContact CB-CB 4.47Å; Q686-W842 HydrophobicContact CB-CD2 4.36Å; Q686-W842 HydrophobicContact CB-CG 4.28Å; Q686-W842 HydrophobicContact CG-CD2 4.26Å; Q686-W842 HydrophobicContact CG-CE3 4.41Å
687	Q	97.6	Very high	93.4	Very high	84 Å²	84	52.6 Å²	52.6	39%	0.393	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-42.9	171.6	-75.6	170.8	-13.8	0	0	111.6	V653 A683 Q684 R690 C691	V653-Q687 HydrophobicContact CG1-CB 3.87Å; V653-Q687 HydrophobicContact CG2-CB 3.97Å; A683-Q687 WeakPolarHBondContact O-CG 3.22Å; A683-Q687 PolarHBondContact O-N 3.34Å; Q684-Q687 WeakPolarHBondContact O-CB 3.42Å; Q684-Q687 PolarHBondContact O-N 2.92Å; Q687-R690 PolarHBondContact O-N 3.31Å; Q687-C691 WeakPolarHBondContact O-CB 3.18Å; Q687-C691 PolarHBondContact O-N 2.97Å
688	V	97.5	Very high	94.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.1	-47.4	174.9	172.6	0	0	0	0	110.5	L646 A649 L650 V653 Q684 L685 R690 C691 I692 I767	L646-V688 HydrophobicContact CD1-CG1 4.34Å; A649-V688 HydrophobicContact CB-CG1 4.06Å; L650-V688 HydrophobicContact CD2-CG1 4.2Å; L650-V688 HydrophobicContact CD2-CG2 4.07Å; L650-V688 HydrophobicContact CG-CG1 4.41Å; V653-V688 HydrophobicContact CB-CG2 3.85Å; V653-V688 HydrophobicContact CG1-CG2 4.02Å; V653-V688 HydrophobicContact CG2-CG2 3.88Å; Q684-V688 WeakPolarHBondContact O-CG2 3.37Å; Q684-V688 PolarHBondContact O-N 3.05Å; L685-V688 PolarHBondContact O-N 3.21Å; V688-R690 VanDerWaalsContact C-N 3.32Å; V688-R690 PolarHBondContact O-N 3.38Å; V688-C691 PolarHBondContact O-N 3.38Å; V688-I692 HydrophobicContact CG1-CD1 3.83Å; V688-I692 HydrophobicContact CG1-CG1 4.48Å; V688-I692 VanDerWaalsContact O-CG1 3.3Å; V688-I692 WeakPolarHBondContact O-CG1 3.42Å; V688-I692 PolarHBondContact O-N 2.82Å; V688-I767 HydrophobicContact CG1-CD1 3.81Å
689	D	96.9	Very high	95.1	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.027	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-39.9	176	178.2	87.7	0	0	0	112.7	L685 R693 R792	L685-D689 WeakPolarHBondContact O-CB 3.31Å; L685-D689 PolarHBondContact O-N 3.08Å; D689-R693 WeakPolarHBondContact O-CG 3.36Å; D689-R693 PolarHBondContact O-N 3.06Å; D689-R693 VanDerWaalsContact O-N 3.12Å; D689-R693 IonicContact OD2-CZ 3.42Å; D689-R693 IonicContact OD2-NE 2.97Å; D689-R693 PolarHBondContact OD2-NE 3.26Å; D689-R693 IonicContact OD2-NH2 3.02Å; D689-R693 PolarHBondContact OD2-NH2 2.95Å; D689-R792 IonicContact OD1-CZ 3.19Å; D689-R792 IonicContact OD1-NH1 3.89Å; D689-R792 PolarHBondContact OD1-NH1 3.42Å; D689-R792 IonicContact OD1-NH2 3.61Å; D689-R792 PolarHBondContact OD1-NH2 3.28Å; D689-R792 IonicContact OD2-CZ 3.39Å; D689-R792 IonicContact OD2-NH1 3.61Å; D689-R792 PolarHBondContact OD2-NH1 3.4Å; D689-R792 VanDerWaalsContact OD2-NH1 3.08Å; D689-R792 IonicContact OD2-NH2 2.91Å
690	R	97.1	Very high	95.5	Very high	115 Å²	115	48.9 Å²	48.9	43%	0.434	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-51	174.4	-79	-174.1	-68.7	-174.4	-1.5	111.8	Q686 Q687 V688 I692 R693 D694	Q686-R690 WeakPolarHBondContact O-CG 3.28Å; Q686-R690 PolarHBondContact O-N 3.26Å; Q687-R690 PolarHBondContact O-N 3.31Å; V688-R690 VanDerWaalsContact C-N 3.32Å; V688-R690 PolarHBondContact O-N 3.38Å; R690-I692 VanDerWaalsContact C-N 3.27Å; R690-I692 PolarHBondContact O-N 3.4Å; R690-R693 PolarHBondContact O-N 2.83Å; R690-D694 PolarHBondContact O-N 3.36Å
691	C	96	Very high	95.6	Very high	23 Å²	23	52.5 Å²	52.5	16%	0.155	29%	0.287	C	S	.	.	H	α-helix	trans	-57.3	-41.6	178.9	-179.9	0	0	0	0	112	A649 Q687 V688 R693 D694 V695	A649-C691 HydrophobicContact CB-CB 4Å; Q687-C691 WeakPolarHBondContact O-CB 3.18Å; Q687-C691 PolarHBondContact O-N 2.97Å; V688-C691 PolarHBondContact O-N 3.38Å; C691-R693 PolarHBondContact O-N 3.35Å; C691-D694 PolarHBondContact O-N 3.15Å; C691-V695 WeakPolarHBondContact O-CG2 3.24Å; C691-V695 PolarHBondContact O-N 3.11Å; C691-V695 VanDerWaalsContact O-N 3.13Å
692	I	96.3	Very high	95.8	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-56.9	-49.7	173.5	-73.9	166.5	0	0	0	111.1	I645 L646 A649 V688 R690 D694 V695 I696 L765 I767	I645-I692 HydrophobicContact CG2-CB 4.39Å; I645-I692 HydrophobicContact CG2-CG1 4.18Å; I645-I692 HydrophobicContact CG2-CG2 4.39Å; L646-I692 HydrophobicContact CD1-CD1 3.9Å; A649-I692 HydrophobicContact CB-CD1 4.47Å; A649-I692 HydrophobicContact CB-CG1 3.75Å; V688-I692 HydrophobicContact CG1-CD1 3.83Å; V688-I692 HydrophobicContact CG1-CG1 4.48Å; V688-I692 VanDerWaalsContact O-CG1 3.3Å; V688-I692 WeakPolarHBondContact O-CG1 3.42Å; V688-I692 PolarHBondContact O-N 2.82Å; R690-I692 VanDerWaalsContact C-N 3.27Å; R690-I692 PolarHBondContact O-N 3.4Å; I692-D694 VanDerWaalsContact C-N 3.35Å; I692-D694 PolarHBondContact O-N 3.4Å; I692-V695 PolarHBondContact O-N 2.81Å; I692-I696 HydrophobicContact CG2-CD1 3.77Å; I692-I696 WeakPolarHBondContact O-CG1 3.4Å; I692-I696 PolarHBondContact O-N 3.42Å; I692-L765 HydrophobicContact CD1-CD2 4.05Å; I692-L765 HydrophobicContact CD1-CG 4.4Å; I692-L765 HydrophobicContact CG1-CD2 4.26Å; I692-L765 HydrophobicContact CG2-CB 3.66Å; I692-L765 HydrophobicContact CG2-CD2 3.66Å; I692-L765 HydrophobicContact CG2-CG 3.85Å; I692-I767 HydrophobicContact CD1-CD1 4.49Å
693	R	95.5	Very high	95.7	Very high	102 Å²	102	51.7 Å²	51.7	39%	0.385	28%	0.275	S	S	.	.	H	α-helix	trans	-65.6	-37.4	-179.7	-76.2	-172	-74.7	138.5	-5.4	112.6	D689 R690 C691 V695 I696 S697	D689-R693 WeakPolarHBondContact O-CG 3.36Å; D689-R693 PolarHBondContact O-N 3.06Å; D689-R693 VanDerWaalsContact O-N 3.12Å; D689-R693 IonicContact OD2-CZ 3.42Å; D689-R693 IonicContact OD2-NE 2.97Å; D689-R693 PolarHBondContact OD2-NE 3.26Å; D689-R693 IonicContact OD2-NH2 3.02Å; D689-R693 PolarHBondContact OD2-NH2 2.95Å; R690-R693 PolarHBondContact O-N 2.83Å; C691-R693 PolarHBondContact O-N 3.35Å; R693-V695 VanDerWaalsContact C-N 3.33Å; R693-V695 PolarHBondContact O-N 3.27Å; R693-I696 PolarHBondContact O-N 3.11Å; R693-S697 VanDerWaalsContact O-CB 3.24Å; R693-S697 WeakPolarHBondContact O-CB 3.25Å; R693-S697 PolarHBondContact O-N 2.82Å; R693-S697 PolarHBondContact O-OG 3.42Å
694	D	95.3	Very high	95.6	Very high	102 Å²	102	52.3 Å²	52.3	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-43.9	177.4	-61.9	-23.3	0	0	0	110.2	R690 C691 I692 S697 A698	R690-D694 PolarHBondContact O-N 3.36Å; C691-D694 PolarHBondContact O-N 3.15Å; I692-D694 VanDerWaalsContact C-N 3.35Å; I692-D694 PolarHBondContact O-N 3.4Å; D694-S697 PolarHBondContact O-OG 3.23Å; D694-S697 VanDerWaalsContact O-OG 3.1Å; D694-A698 VanDerWaalsContact O-CB 3.31Å; D694-A698 WeakPolarHBondContact O-CB 3.49Å; D694-A698 PolarHBondContact O-N 3.09Å
695	V	93.6	Very high	95.4	Very high	17 Å²	17	53 Å²	53	10%	0.103	28%	0.279	C	S	.	.	H	α-helix	trans	-67.9	-40	177.3	177.7	0	0	0	0	112.5	I645 F648 C691 I692 R693 T759	I645-V695 HydrophobicContact CD1-CG1 3.88Å; I645-V695 HydrophobicContact CG1-CG1 3.92Å; I645-V695 HydrophobicContact CG2-CB 4.02Å; I645-V695 HydrophobicContact CG2-CG1 4.05Å; F648-V695 HydrophobicContact CD1-CG2 4.3Å; F648-V695 HydrophobicContact CE1-CG2 4.17Å; C691-V695 WeakPolarHBondContact O-CG2 3.24Å; C691-V695 PolarHBondContact O-N 3.11Å; C691-V695 VanDerWaalsContact O-N 3.13Å; I692-V695 PolarHBondContact O-N 2.81Å; R693-V695 VanDerWaalsContact C-N 3.33Å; R693-V695 PolarHBondContact O-N 3.27Å; V695-T759 HydrophobicContact CG1-CG2 4.29Å; V695-T759 PolarHBondContact O-OG1 3.21Å
696	I	95.6	Very high	95.1	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.051	30%	0.304	C	S	.	.	H	α-helix	trans	-68.6	-44.3	178	-67.9	171.7	0	0	0	110.6	I645 I692 R693 A698 N699 G760 I762 L765	I645-I696 HydrophobicContact CD1-CG1 4.01Å; I692-I696 HydrophobicContact CG2-CD1 3.77Å; I692-I696 WeakPolarHBondContact O-CG1 3.4Å; I692-I696 PolarHBondContact O-N 3.42Å; R693-I696 PolarHBondContact O-N 3.11Å; I696-A698 VanDerWaalsContact C-N 3.34Å; I696-A698 PolarHBondContact O-N 2.97Å; I696-N699 PolarHBondContact O-N 2.98Å; I696-N699 VanDerWaalsContact O-N 3.08Å; I696-G760 WeakPolarHBondContact O-CA 3.5Å; I696-I762 HydrophobicContact CD1-CB 4.3Å; I696-I762 HydrophobicContact CD1-CG2 3.86Å; I696-I762 HydrophobicContact CG1-CB 4.46Å; I696-I762 HydrophobicContact CG1-CD1 4.48Å; I696-L765 HydrophobicContact CD1-CB 3.76Å
697	S	95.8	Very high	94.7	Very high	95 Å²	95	56.2 Å²	56.2	66%	0.664	30%	0.295	S	S	*	.	H	α-helix	trans	-69.8	-29.2	-179.1	62.6	0	0	0	0	113.4	R693 D694 N699	R693-S697 VanDerWaalsContact O-CB 3.24Å; R693-S697 WeakPolarHBondContact O-CB 3.25Å; R693-S697 PolarHBondContact O-N 2.82Å; R693-S697 PolarHBondContact O-OG 3.42Å; D694-S697 PolarHBondContact O-OG 3.23Å; D694-S697 VanDerWaalsContact O-OG 3.1Å; S697-N699 PolarHBondContact O-N 3.38Å
698	A	94.9	Very high	94.3	Very high	60 Å²	60	54.6 Å²	54.6	50%	0.496	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.5	171.1	0	0	0	0	0	113.2	D694 I696 Q700	D694-A698 VanDerWaalsContact O-CB 3.31Å; D694-A698 WeakPolarHBondContact O-CB 3.49Å; D694-A698 PolarHBondContact O-N 3.09Å; I696-A698 VanDerWaalsContact C-N 3.34Å; I696-A698 PolarHBondContact O-N 2.97Å; A698-Q700 VanDerWaalsContact C-N 3.27Å; A698-Q700 HydrophobicContact CB-CG 3.94Å; A698-Q700 PolarHBondContact O-N 3.05Å
699	N	95.3	Very high	93.7	Very high	69 Å²	69	57.2 Å²	57.2	37%	0.369	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.8	50	178.9	-169.8	41.8	0	0	0	113.4	I696 S697 Q758 T759 G760	I696-N699 PolarHBondContact O-N 2.98Å; I696-N699 VanDerWaalsContact O-N 3.08Å; S697-N699 PolarHBondContact O-N 3.38Å; N699-Q758 WeakPolarHBondContact OD1-CB 3.47Å; N699-T759 WeakPolarHBondContact CA-OG1 3.23Å; N699-G760 WeakPolarHBondContact OD1-CA 3.11Å; N699-G760 PolarHBondContact OD1-N 2.87Å
700	Q	92.8	Very high	93	Very high	71 Å²	71	66.8 Å²	66.8	33%	0.332	34%	0.341	S	S	.	.			trans	-71	148.6	-177.1	-66.6	-179.3	-36.7	0	0	111.1	A698 Q758 T759	A698-Q700 VanDerWaalsContact C-N 3.27Å; A698-Q700 HydrophobicContact CB-CG 3.94Å; A698-Q700 PolarHBondContact O-N 3.05Å; Q700-Q758 WeakPolarHBondContact O-CA 3.18Å; Q700-T759 HydrophobicContact CB-CG2 4.35Å; Q700-T759 PolarHBondContact N-OG1 3.31Å; Q700-T759 PolarHBondContact O-N 2.92Å
701	D	94.9	Very high	92.3	Very high	79 Å²	79	65.9 Å²	65.9	42%	0.422	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-68.8	148.6	172.9	-67.8	-30.9	0	0	0	111.2	G735 Q758	D701-G735 PolarHBondContact O-N 2.99Å; D701-Q758 PolarHBondContact OD1-NE2 3.29Å; D701-Q758 VanDerWaalsContact OD1-NE2 3.08Å
702	V	95.8	Very high	91.8	Very high	14 Å²	14	64.8 Å²	64.8	9%	0.085	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.9	176.2	-177.3	0	0	0	0	108.7	T641 V732 L734 H755 L756 L757 T759	T641-V702 HydrophobicContact CG2-CG2 4.27Å; V702-V732 HydrophobicContact CG1-CG1 3.96Å; V702-L734 HydrophobicContact CB-CD2 4.24Å; V702-L734 HydrophobicContact CG1-CD2 3.9Å; V702-L734 HydrophobicContact CG2-CD2 3.68Å; V702-H755 HydrophobicContact CG1-CB 4.09Å; V702-L756 WeakPolarHBondContact CB-O 3.41Å; V702-L756 WeakPolarHBondContact CG1-O 3.24Å; V702-L756 WeakPolarHBondContact CG2-O 3.44Å; V702-L757 PolarHBondContact N-O 3.46Å; V702-T759 HydrophobicContact CG2-CG2 4.33Å
703	H	94	Very high	90.9	Very high	53 Å²	53	68 Å²	68	25%	0.245	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.2	-178.1	-57.9	-75.4	0	0	0	110.8	V732 S733 V736 V738	H703-V732 WeakPolarHBondContact O-CA 3.43Å; H703-S733 PolarHBondContact N-O 3.2Å; H703-S733 PolarHBondContact O-N 3.32Å; H703-V736 VanDerWaalsContact CD2-C 3.44Å; H703-V736 PolarHBondContact CD2-O 3.01Å; H703-V738 HydrophobicContact CB-CG2 4.46Å
704	T	93.1	Very high	90.3	Very high	67 Å²	67	66.5 Å²	66.5	41%	0.411	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.3	176.1	72.9	0	0	0	0	110.7	V731 V732	T704-V731 VanDerWaalsContact CA-O 3.24Å; T704-V731 WeakPolarHBondContact CA-O 3.41Å; T704-V732 HydrophobicContact CG2-CB 4.4Å; T704-V732 HydrophobicContact CG2-CG1 4.2Å; T704-V732 HydrophobicContact CG2-CG2 3.93Å
705	L	91.3	Very high	89.8	Confident	81 Å²	81	62.6 Å²	62.6	42%	0.424	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	140.8	179.1	-172.6	64.8	0	0	0	110.1	V707 V731 V738	L705-V707 HydrophobicContact CB-CG2 4.24Å; L705-V707 HydrophobicContact CD2-CG2 3.96Å; L705-V707 HydrophobicContact CG-CG2 3.98Å; L705-V731 PolarHBondContact N-O 2.96Å; L705-V731 PolarHBondContact O-N 3.27Å; L705-V738 HydrophobicContact CB-CB 3.64Å; L705-V738 HydrophobicContact CB-CG1 3.84Å; L705-V738 HydrophobicContact CB-CG2 3.91Å; L705-V738 HydrophobicContact CD2-CB 3.99Å; L705-V738 HydrophobicContact CD2-CG1 3.98Å; L705-V738 HydrophobicContact CG-CB 4.48Å; L705-V738 HydrophobicContact CG-CG1 4.49Å
706	E	91.1	Very high	89	Confident	114 Å²	114	66.9 Å²	66.9	53%	0.533	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123	166.8	-68.6	-168.8	162.9	0	0	109.3	P728 V729	E706-P728 HydrophobicContact CB-CB 4.2Å; E706-P728 HydrophobicContact CB-CG 4.33Å; E706-V729 WeakPolarHBondContact CA-O 3.39Å
707	V	88.6	Confident	88.2	Confident	18 Å²	18	68.7 Å²	68.7	11%	0.109	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.2	-174.2	-177.7	0	0	0	0	108.2	L705 L709 L711 A712 V729 V731 V738	L705-V707 HydrophobicContact CB-CG2 4.24Å; L705-V707 HydrophobicContact CD2-CG2 3.96Å; L705-V707 HydrophobicContact CG-CG2 3.98Å; V707-L709 PolarHBondContact O-N 3.38Å; V707-L711 HydrophobicContact CG1-CB 3.85Å; V707-A712 HydrophobicContact CG1-CB 4.34Å; V707-V729 PolarHBondContact N-O 2.92Å; V707-V729 WeakPolarHBondContact O-CG1 3.35Å; V707-V729 PolarHBondContact O-N 3.12Å; V707-V731 HydrophobicContact CB-CG2 4.08Å; V707-V731 HydrophobicContact CG2-CG2 3.88Å; V707-V738 HydrophobicContact CG2-CG1 3.92Å
708	P	89.1	Confident	87.5	Confident	51 Å²	51	65.6 Å²	65.6	33%	0.331	38%	0.375	S	S	.	.			trans	-52.6	133	171.1	-27.4	34.9	0	0	0	111.2	R710 L711 A712 D727	P708-R710 HydrophobicContact CB-CG 4.28Å; P708-R710 PolarHBondContact O-N 3.02Å; P708-R710 VanDerWaalsContact O-N 3.09Å; P708-L711 HydrophobicContact CB-CD1 4.27Å; P708-L711 HydrophobicContact CB-CG 4.25Å; P708-L711 HydrophobicContact CG-CD1 4.03Å; P708-L711 WeakPolarHBondContact O-CA 3.5Å; P708-L711 WeakPolarHBondContact O-CB 3.32Å; P708-L711 PolarHBondContact O-N 3.35Å; P708-A712 PolarHBondContact O-N 2.88Å; P708-A712 VanDerWaalsContact O-N 3.08Å; P708-D727 VanDerWaalsContact CA-OD1 3.26Å; P708-D727 WeakPolarHBondContact CA-OD1 3.26Å
709	L	84.8	Confident	86.9	Confident	54 Å²	54	63.4 Å²	63.4	28%	0.283	35%	0.353	S	S	.	.	H	α-helix	trans	-55.5	-37.2	-172.2	-177.8	61.5	0	0	0	112.1	V707 L711 A712 G713 D727 V729 L750	V707-L709 PolarHBondContact O-N 3.38Å; L709-L711 VanDerWaalsContact C-N 3.29Å; L709-L711 PolarHBondContact O-N 3.17Å; L709-A712 PolarHBondContact O-N 2.94Å; L709-G713 PolarHBondContact O-N 2.9Å; L709-D727 HydrophobicContact CB-CB 4.08Å; L709-D727 PolarHBondContact N-OD1 2.88Å; L709-V729 HydrophobicContact CB-CG1 4.5Å; L709-V729 HydrophobicContact CD1-CB 4.1Å; L709-V729 HydrophobicContact CD1-CG1 3.88Å; L709-L750 HydrophobicContact CD1-CD1 4.41Å
710	R	82.9	Confident	86.1	Confident	207 Å²	207	64.2 Å²	64.2	78%	0.781	36%	0.361	S	S	*	.	H	α-helix	trans	-59.4	-34.8	175	74	-177.6	-175.2	178.9	-0.6	113.9	P708	P708-R710 HydrophobicContact CB-CG 4.28Å; P708-R710 PolarHBondContact O-N 3.02Å; P708-R710 VanDerWaalsContact O-N 3.09Å
711	L	82.8	Confident	85.1	Confident	95 Å²	95	62.9 Å²	62.9	50%	0.497	36%	0.358	S	S	.	.	H	α-helix	trans	-84.6	-34	-178.5	-64.6	-178.4	0	0	0	110.8	V707 P708 L709 G713 A714	V707-L711 HydrophobicContact CG1-CB 3.85Å; P708-L711 HydrophobicContact CB-CD1 4.27Å; P708-L711 HydrophobicContact CB-CG 4.25Å; P708-L711 HydrophobicContact CG-CD1 4.03Å; P708-L711 WeakPolarHBondContact O-CA 3.5Å; P708-L711 WeakPolarHBondContact O-CB 3.32Å; P708-L711 PolarHBondContact O-N 3.35Å; L709-L711 VanDerWaalsContact C-N 3.29Å; L709-L711 PolarHBondContact O-N 3.17Å; L711-G713 PolarHBondContact O-N 3.26Å; L711-A714 WeakPolarHBondContact O-CB 3.18Å; L711-A714 PolarHBondContact O-N 2.74Å
712	A	84.6	Confident	83.9	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-58.1	-37.8	177.1	0	0	0	0	0	111.9	V707 P708 L709 A714 I715 L718 V729 V731 L750	V707-A712 HydrophobicContact CG1-CB 4.34Å; P708-A712 PolarHBondContact O-N 2.88Å; P708-A712 VanDerWaalsContact O-N 3.08Å; L709-A712 PolarHBondContact O-N 2.94Å; A712-A714 PolarHBondContact O-N 3.43Å; A712-A714 VanDerWaalsContact O-N 3.07Å; A712-I715 WeakPolarHBondContact O-CB 3.39Å; A712-I715 WeakPolarHBondContact O-CG1 3.36Å; A712-I715 PolarHBondContact O-N 3.39Å; A712-L718 HydrophobicContact CB-CD2 4.23Å; A712-L718 WeakPolarHBondContact O-CD2 3.27Å; A712-V729 HydrophobicContact CB-CG1 3.7Å; A712-V731 HydrophobicContact CB-CG2 4.33Å; A712-L750 HydrophobicContact CB-CD2 4.13Å
713	G	78.3	Confident	82.9	Confident	67 Å²	67	66.6 Å²	66.6	69%	0.691	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-17.3	176.8	0	0	0	0	0	115.5	L709 L711	L709-G713 PolarHBondContact O-N 2.9Å; L711-G713 PolarHBondContact O-N 3.26Å
714	A	82.9	Confident	81.8	Confident	72 Å²	72	67.8 Å²	67.8	60%	0.595	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-11.7	175.7	0	0	0	0	0	113.4	L711 A712 Q716	L711-A714 WeakPolarHBondContact O-CB 3.18Å; L711-A714 PolarHBondContact O-N 2.74Å; A712-A714 PolarHBondContact O-N 3.43Å; A712-A714 VanDerWaalsContact O-N 3.07Å; A714-Q716 PolarHBondContact O-N 2.75Å
715	I	83.6	Confident	81.3	Confident	19 Å²	19	66.5 Å²	66.5	10%	0.097	37%	0.372	C	S	.	.	S	Bend	trans	-70.4	117.2	-178.7	-62.3	170.6	0	0	0	109.6	A712 G717 L718 V731 V738 L741 V748	A712-I715 WeakPolarHBondContact O-CB 3.39Å; A712-I715 WeakPolarHBondContact O-CG1 3.36Å; A712-I715 PolarHBondContact O-N 3.39Å; I715-G717 PolarHBondContact O-N 3.02Å; I715-L718 HydrophobicContact CB-CB 4.04Å; I715-L718 HydrophobicContact CG2-CB 4.11Å; I715-L718 VanDerWaalsContact O-CB 3.27Å; I715-L718 WeakPolarHBondContact O-CB 3.38Å; I715-L718 PolarHBondContact O-N 3.05Å; I715-V731 HydrophobicContact CD1-CG1 4.14Å; I715-V731 HydrophobicContact CD1-CG2 4.14Å; I715-V738 HydrophobicContact CD1-CG1 4.49Å; I715-L741 HydrophobicContact CG2-CB 3.94Å; I715-L741 HydrophobicContact CG2-CD1 4.33Å; I715-V748 HydrophobicContact CG2-CG1 4.25Å; I715-V748 HydrophobicContact CG2-CG2 4.01Å
716	Q	77.8	Confident	80.9	Confident	108 Å²	108	64 Å²	64	51%	0.505	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	135.7	177	-69.9	-168.5	25.2	0	0	111.5	A714 L718 D743	A714-Q716 PolarHBondContact O-N 2.75Å; Q716-L718 PolarHBondContact O-N 3.1Å; Q716-D743 PolarHBondContact NE2-OD1 2.87Å
717	G	77.2	Confident	80.5	Confident	48 Å²	48	61.9 Å²	61.9	50%	0.495	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	1.8	178.9	0	0	0	0	0	114.7	I715 R719	I715-G717 PolarHBondContact O-N 3.02Å; G717-R719 WeakPolarHBondContact O-CG 3.27Å; G717-R719 PolarHBondContact O-N 3.22Å
718	L	82.3	Confident	80.5	Confident	30 Å²	30	63.7 Å²	63.7	16%	0.157	37%	0.366	C	S	.	.			trans	-52.8	125.2	173.9	-179.6	65.3	0	0	0	110.2	A712 I715 Q716 T720 V731 V748 L750	A712-L718 HydrophobicContact CB-CD2 4.23Å; A712-L718 WeakPolarHBondContact O-CD2 3.27Å; I715-L718 HydrophobicContact CB-CB 4.04Å; I715-L718 HydrophobicContact CG2-CB 4.11Å; I715-L718 VanDerWaalsContact O-CB 3.27Å; I715-L718 WeakPolarHBondContact O-CB 3.38Å; I715-L718 PolarHBondContact O-N 3.05Å; Q716-L718 PolarHBondContact O-N 3.1Å; L718-T720 HydrophobicContact CD2-CG2 4.21Å; L718-T720 HydrophobicContact CG-CG2 4.16Å; L718-V731 HydrophobicContact CD1-CG1 4.45Å; L718-V748 HydrophobicContact CD1-CG2 3.85Å; L718-L750 HydrophobicContact CD1-CD2 3.86Å; L718-L750 HydrophobicContact CD1-CG 3.98Å; L718-L750 HydrophobicContact CD2-CD1 4.32Å; L718-L750 HydrophobicContact CD2-CD2 3.9Å; L718-L750 HydrophobicContact CD2-CG 3.98Å; L718-L750 HydrophobicContact CG-CD2 4.41Å; L718-L750 HydrophobicContact CG-CG 4.26Å
719	R	82.8	Confident	80.5	Confident	13 Å²	13	61.4 Å²	61.4	5%	0.049	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-100.3	130.7	176	-50.6	-173.5	-77.5	-80.7	2.7	109.3	G717 T746 S747 V748 E749 L750	G717-R719 WeakPolarHBondContact O-CG 3.27Å; G717-R719 PolarHBondContact O-N 3.22Å; R719-T746 PolarHBondContact NH1-O 2.91Å; R719-S747 PolarHBondContact NH2-OG 2.88Å; R719-V748 PolarHBondContact N-O 2.85Å; R719-E749 HydrophobicContact CB-CB 4.34Å; R719-E749 HydrophobicContact CB-CG 3.89Å; R719-E749 HydrophobicContact CG-CG 4.4Å; R719-E749 IonicContact CZ-OE1 3.55Å; R719-E749 VanDerWaalsContact CZ-OE1 3.23Å; R719-E749 VanDerWaalsContact NE-CD 3.32Å; R719-E749 IonicContact NE-OE1 3.01Å; R719-E749 PolarHBondContact NE-OE1 2.89Å; R719-E749 VanDerWaalsContact NH2-CG 3.35Å; R719-E749 IonicContact NH2-OE1 3.46Å; R719-E749 PolarHBondContact NH2-OE1 3.1Å; R719-E749 VanDerWaalsContact O-CA 3.3Å; R719-E749 WeakPolarHBondContact O-CA 3.4Å; R719-L750 PolarHBondContact O-N 3.29Å
720	T	77.1	Confident	80.9	Confident	87 Å²	87	59.9 Å²	59.9	53%	0.534	34%	0.341	S	S	.	.			trans	-123.6	154.4	177.2	64.1	0	0	0	0	108.9	L718 L750	L718-T720 HydrophobicContact CD2-CG2 4.21Å; L718-T720 HydrophobicContact CG-CG2 4.16Å; T720-L750 HydrophobicContact CG2-CD1 3.56Å; T720-L750 HydrophobicContact CG2-CG 3.93Å
721	V	73.1	Confident	81.4	Confident	43 Å²	43	50 Å²	50	26%	0.261	30%	0.304	S	S	.	.			trans	-101.7	157.9	165.5	-171.2	0	0	0	0	106.8	E723 Y725	V721-E723 HydrophobicContact CB-CG 4.44Å; V721-E723 HydrophobicContact CG1-CG 4.16Å; V721-E723 PolarHBondContact O-N 2.83Å; V721-Y725 PolarHBondContact N-OH 3.44Å; V721-Y725 WeakPolarHBondContact O-CE2 3.42Å; V721-Y725 PolarHBondContact O-OH 3.15Å
722	D	69	Low	81.9	Confident	69 Å²	69	45.6 Å²	45.6	37%	0.369	28%	0.281	S	S	.	.	S	Bend	trans	-75.5	71.7	176.6	-179.9	28.5	0	0	0	111.2	P70 R74	P70-D722 WeakPolarHBondContact CG-OD2 3.35Å; R74-D722 IonicContact CZ-OD1 3.34Å; R74-D722 VanDerWaalsContact CZ-OD1 3.29Å; R74-D722 IonicContact NE-OD1 3.96Å; R74-D722 PolarHBondContact NE-OD1 2.76Å; R74-D722 IonicContact NH2-OD1 3.7Å; R74-D722 PolarHBondContact NH2-OD1 3.25Å
723	E	73.8	Confident	82.3	Confident	101 Å²	101	45.6 Å²	45.6	47%	0.472	28%	0.281	S	S	.	.	S	Bend	trans	-133.4	162.6	-179	-67.8	-175.6	-178.6	0	0	111.4	V721 Y725	V721-E723 HydrophobicContact CB-CG 4.44Å; V721-E723 HydrophobicContact CG1-CG 4.16Å; V721-E723 PolarHBondContact O-N 2.83Å; E723-Y725 WeakPolarHBondContact O-CD2 3.35Å
724	V	72.5	Confident	82.9	Confident	79 Å²	79	42.5 Å²	42.5	48%	0.479	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-84.1	118.4	172.5	-179.9	0	0	0	0	108.5
725	Y	81.4	Confident	83.1	Confident	39 Å²	39	40.4 Å²	40.4	15%	0.153	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-95	146	-179.6	-69.3	-81.2	0	0	0	112	V721 E723 V729 L750	V721-Y725 PolarHBondContact N-OH 3.44Å; V721-Y725 WeakPolarHBondContact O-CE2 3.42Å; V721-Y725 PolarHBondContact O-OH 3.15Å; E723-Y725 WeakPolarHBondContact O-CD2 3.35Å; Y725-V729 HydrophobicContact CD1-CG2 3.74Å; Y725-V729 HydrophobicContact CG-CG2 4.11Å; Y725-L750 HydrophobicContact CD1-CB 4.06Å; Y725-L750 HydrophobicContact CD1-CD1 4.14Å; Y725-L750 HydrophobicContact CD2-CD1 4Å; Y725-L750 HydrophobicContact CE1-CB 3.49Å; Y725-L750 VanDerWaalsContact CE1-CB 3.49Å; Y725-L750 HydrophobicContact CE1-CD1 4.08Å; Y725-L750 HydrophobicContact CE1-CG 4.44Å; Y725-L750 HydrophobicContact CE2-CD1 3.93Å; Y725-L750 HydrophobicContact CG-CD1 4.09Å
726	P	83.6	Confident	83.3	Confident	30 Å²	30	41.6 Å²	41.6	20%	0.195	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-68.5	160.2	167.4	31.1	-34.7	0	0	0	111.1	R100 P728 V729	R100-P726 HydrophobicContact CB-CB 3.89Å; P726-P728 CarbonylContact C-O 3.47Å; P726-P728 CarbonylContact O-C 3.57Å; P726-V729 WeakPolarHBondContact O-CB 3.26Å; P726-V729 PolarHBondContact O-N 3.46Å
727	D	82.9	Confident	83.8	Confident	69 Å²	69	38.2 Å²	38.2	37%	0.369	23%	0.229	S	C	.	.	S	Bend	trans	-124.8	115.1	170.5	-166.9	7.7	0	0	0	109.3	R100 P708 L709	R100-D727 PolarHBondContact O-N 3.13Å; R100-D727 VanDerWaalsContact O-O 3.14Å; P708-D727 VanDerWaalsContact CA-OD1 3.26Å; P708-D727 WeakPolarHBondContact CA-OD1 3.26Å; L709-D727 HydrophobicContact CB-CB 4.08Å; L709-D727 PolarHBondContact N-OD1 2.88Å
728	P	88.3	Confident	84.1	Confident	55 Å²	55	36.5 Å²	36.5	36%	0.357	21%	0.21	S	C	.	.	S	Bend	cis	-69.4	153.7	4.9	31.3	-36.3	0	0	0	113.3	E706 P726	E706-P728 HydrophobicContact CB-CB 4.2Å; E706-P728 HydrophobicContact CB-CG 4.33Å; P726-P728 CarbonylContact C-O 3.47Å; P726-P728 CarbonylContact O-C 3.57Å
729	V	89.8	Confident	84	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	144.2	176.8	70	0	0	0	0	110.9	E706 V707 L709 A712 Y725 P726 L750	E706-V729 WeakPolarHBondContact CA-O 3.39Å; V707-V729 PolarHBondContact N-O 2.92Å; V707-V729 WeakPolarHBondContact O-CG1 3.35Å; V707-V729 PolarHBondContact O-N 3.12Å; L709-V729 HydrophobicContact CB-CG1 4.5Å; L709-V729 HydrophobicContact CD1-CB 4.1Å; L709-V729 HydrophobicContact CD1-CG1 3.88Å; A712-V729 HydrophobicContact CB-CG1 3.7Å; Y725-V729 HydrophobicContact CD1-CG2 3.74Å; Y725-V729 HydrophobicContact CG-CG2 4.11Å; P726-V729 WeakPolarHBondContact O-CB 3.26Å; P726-V729 PolarHBondContact O-N 3.46Å; V729-L750 HydrophobicContact CB-CD2 4.43Å; V729-L750 HydrophobicContact CG1-CD2 3.7Å; V729-L750 HydrophobicContact CG2-CB 4.23Å; V729-L750 HydrophobicContact CG2-CD1 4.12Å; V729-L750 HydrophobicContact CG2-CD2 3.84Å; V729-L750 HydrophobicContact CG2-CG 4.28Å
730	R	92.1	Very high	83.9	Confident	23 Å²	23	45 Å²	45	9%	0.087	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.9	176.1	-171.9	170.3	178.3	-97.7	11.6	111.3	C751 G753	R730-C751 PolarHBondContact NH1-O 2.61Å; R730-C751 VanDerWaalsContact NH1-O 3.1Å; R730-C751 PolarHBondContact O-N 3.43Å; R730-G753 PolarHBondContact NH1-O 2.87Å
731	V	92.7	Very high	83.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136.8	174.1	-175.9	0	0	0	0	109	T704 L705 V707 A712 I715 L718 V738 V748 L750	T704-V731 VanDerWaalsContact CA-O 3.24Å; T704-V731 WeakPolarHBondContact CA-O 3.41Å; L705-V731 PolarHBondContact N-O 2.96Å; L705-V731 PolarHBondContact O-N 3.27Å; V707-V731 HydrophobicContact CB-CG2 4.08Å; V707-V731 HydrophobicContact CG2-CG2 3.88Å; A712-V731 HydrophobicContact CB-CG2 4.33Å; I715-V731 HydrophobicContact CD1-CG1 4.14Å; I715-V731 HydrophobicContact CD1-CG2 4.14Å; L718-V731 HydrophobicContact CD1-CG1 4.45Å; V731-V738 HydrophobicContact CB-CG1 3.88Å; V731-V738 HydrophobicContact CB-CG2 4.32Å; V731-V738 HydrophobicContact CG1-CG1 3.83Å; V731-V738 HydrophobicContact CG1-CG2 4.12Å; V731-V738 HydrophobicContact CG2-CG1 4.38Å; V731-V748 HydrophobicContact CG1-CG2 3.66Å; V731-L750 HydrophobicContact CG2-CD2 3.83Å
732	V	93.8	Very high	83.4	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.9	174.3	-179.5	0	0	0	0	108.6	V702 H703 T704 V748 E749 C751	V702-V732 HydrophobicContact CG1-CG1 3.96Å; H703-V732 WeakPolarHBondContact O-CA 3.43Å; T704-V732 HydrophobicContact CG2-CB 4.4Å; T704-V732 HydrophobicContact CG2-CG1 4.2Å; T704-V732 HydrophobicContact CG2-CG2 3.93Å; V732-V748 CarbonylContact O-C 3.58Å; V732-V748 VanDerWaalsContact O-CA 3.28Å; V732-V748 WeakPolarHBondContact O-CA 3.4Å; V732-E749 PolarHBondContact N-O 2.98Å; V732-E749 PolarHBondContact O-N 3.31Å; V732-C751 HydrophobicContact CB-CB 4.46Å; V732-C751 HydrophobicContact CG2-CB 3.92Å
733	S	93.5	Very high	82.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.5	-179.1	-178.7	0	0	0	0	111.1	H703 V736 S747	H703-S733 PolarHBondContact N-O 3.2Å; H703-S733 PolarHBondContact O-N 3.32Å; S733-V736 WeakPolarHBondContact CB-O 3.31Å; S733-V736 PolarHBondContact OG-O 3.31Å; S733-S747 CarbonylContact C-O 3.6Å; S733-S747 VanDerWaalsContact CA-O 3.32Å; S733-S747 WeakPolarHBondContact CA-O 3.28Å
734	L	91.4	Very high	81.5	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128	173.8	-50.2	-175.4	0	0	0	109.9	I645 V702 V736 T746 S747 T759	I645-L734 HydrophobicContact CG1-CD1 3.66Å; V702-L734 HydrophobicContact CB-CD2 4.24Å; V702-L734 HydrophobicContact CG1-CD2 3.9Å; V702-L734 HydrophobicContact CG2-CD2 3.68Å; L734-V736 PolarHBondContact O-N 3.11Å; L734-T746 PolarHBondContact O-OG1 3.4Å; L734-S747 VanDerWaalsContact CD1-CB 3.5Å; L734-S747 WeakPolarHBondContact CD1-OG 3.42Å; L734-S747 PolarHBondContact N-O 3.32Å; L734-T759 HydrophobicContact CD1-CG2 4.24Å; L734-T759 HydrophobicContact CD2-CG2 4.3Å
735	G	87.3	Confident	81.1	Confident	29 Å²	29	45.2 Å²	45.2	30%	0.299	28%	0.282	S	S	.	.	S	Bend	trans	70.7	-13.6	172.4	0	0	0	0	0	117.1	D701	D701-G735 PolarHBondContact O-N 2.99Å
736	V	87.3	Confident	80.9	Confident	43 Å²	43	44.3 Å²	44.3	26%	0.261	28%	0.281	S	S	.	.	S	Bend	trans	-125.5	126	178.4	-174	0	0	0	0	109.5	H703 S733 L734 E740 L741 T746	H703-V736 VanDerWaalsContact CD2-C 3.44Å; H703-V736 PolarHBondContact CD2-O 3.01Å; S733-V736 WeakPolarHBondContact CB-O 3.31Å; S733-V736 PolarHBondContact OG-O 3.31Å; L734-V736 PolarHBondContact O-N 3.11Å; V736-E740 HydrophobicContact CG1-CB 4.4Å; V736-L741 HydrophobicContact CB-CD2 3.87Å; V736-L741 HydrophobicContact CG1-CD2 3.64Å; V736-L741 HydrophobicContact CG1-CG 4.21Å; V736-T746 HydrophobicContact CB-CG2 4.07Å; V736-T746 HydrophobicContact CG2-CG2 3.91Å
737	P	87.7	Confident	81	Confident	37 Å²	37	43.1 Å²	43.1	24%	0.24	27%	0.273	C	S	.	.			trans	-56.9	139	174.9	-25.5	34.7	0	0	0	112.1	S739 E740	P737-S739 PolarHBondContact O-N 2.78Å; P737-S739 VanDerWaalsContact O-N 3.17Å; P737-E740 HydrophobicContact CB-CG 4.4Å; P737-E740 PolarHBondContact O-N 2.78Å
738	V	82.8	Confident	81.4	Confident	13 Å²	13	39.8 Å²	39.8	8%	0.079	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-60	-32.1	-177	-178.8	0	0	0	0	112.4	H703 L705 V707 I715 V731 E740 L741	H703-V738 HydrophobicContact CB-CG2 4.46Å; L705-V738 HydrophobicContact CB-CB 3.64Å; L705-V738 HydrophobicContact CB-CG1 3.84Å; L705-V738 HydrophobicContact CB-CG2 3.91Å; L705-V738 HydrophobicContact CD2-CB 3.99Å; L705-V738 HydrophobicContact CD2-CG1 3.98Å; L705-V738 HydrophobicContact CG-CB 4.48Å; L705-V738 HydrophobicContact CG-CG1 4.49Å; V707-V738 HydrophobicContact CG2-CG1 3.92Å; I715-V738 HydrophobicContact CD1-CG1 4.49Å; V731-V738 HydrophobicContact CB-CG1 3.88Å; V731-V738 HydrophobicContact CB-CG2 4.32Å; V731-V738 HydrophobicContact CG1-CG1 3.83Å; V731-V738 HydrophobicContact CG1-CG2 4.12Å; V731-V738 HydrophobicContact CG2-CG1 4.38Å; V738-E740 PolarHBondContact O-N 2.86Å; V738-L741 HydrophobicContact CB-CD1 4.34Å; V738-L741 HydrophobicContact CG1-CD1 4.35Å; V738-L741 HydrophobicContact CG2-CD1 4.39Å; V738-L741 PolarHBondContact O-N 2.83Å
739	S	80.4	Confident	81.5	Confident	92 Å²	92	37.8 Å²	37.8	64%	0.643	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-64.2	-19.7	176.7	48.1	0	0	0	0	114.4	P737	P737-S739 PolarHBondContact O-N 2.78Å; P737-S739 VanDerWaalsContact O-N 3.17Å
740	E	81.8	Confident	81.6	Confident	129 Å²	129	38.3 Å²	38.3	60%	0.603	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-105.3	0.3	-175.8	-64.2	175.2	-158.4	0	0	112.3	V736 P737 V738 L742	V736-E740 HydrophobicContact CG1-CB 4.4Å; P737-E740 HydrophobicContact CB-CG 4.4Å; P737-E740 PolarHBondContact O-N 2.78Å; V738-E740 PolarHBondContact O-N 2.86Å; E740-L742 VanDerWaalsContact C-N 3.26Å; E740-L742 PolarHBondContact O-N 2.83Å
741	L	77.4	Confident	81.6	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.037	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	69.7	-178.8	-68.4	172.1	0	0	0	112	I715 V736 V738 T746 V748	I715-L741 HydrophobicContact CG2-CB 3.94Å; I715-L741 HydrophobicContact CG2-CD1 4.33Å; V736-L741 HydrophobicContact CB-CD2 3.87Å; V736-L741 HydrophobicContact CG1-CD2 3.64Å; V736-L741 HydrophobicContact CG1-CG 4.21Å; V738-L741 HydrophobicContact CB-CD1 4.34Å; V738-L741 HydrophobicContact CG1-CD1 4.35Å; V738-L741 HydrophobicContact CG2-CD1 4.39Å; V738-L741 PolarHBondContact O-N 2.83Å; L741-T746 HydrophobicContact CD2-CG2 3.88Å; L741-V748 HydrophobicContact CD1-CB 4.21Å; L741-V748 HydrophobicContact CD1-CG2 3.73Å
742	L	61.8	Low	81.5	Confident	129 Å²	129	39.9 Å²	39.9	68%	0.675	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-26.5	168.8	-64.8	175.2	0	0	0	112.3	E740	E740-L742 VanDerWaalsContact C-N 3.26Å; E740-L742 PolarHBondContact O-N 2.83Å
743	D	50	Low	81.5	Confident	135 Å²	135	39.8 Å²	39.8	72%	0.722	26%	0.257	S	S	*	.	S	Bend	trans	-146.1	110.9	171.7	-95.6	-29.8	0	0	0	109.6	Q716	Q716-D743 PolarHBondContact NE2-OD1 2.87Å
744	G	53.8	Low	81.6	Confident	34 Å²	34	39.8 Å²	39.8	35%	0.351	26%	0.257	S	S	.	.			trans	176.4	138.4	176.7	0	0	0	0	0	116.4	T746	G744-T746 PolarHBondContact O-N 3.21Å
745	G	64.3	Low	81.9	Confident	78 Å²	78	39.8 Å²	39.8	80%	0.804	26%	0.257	S	S	*	.			trans	-92	55.2	-179.7	0	0	0	0	0	114.5
746	T	76.5	Confident	82.4	Confident	21 Å²	21	38.4 Å²	38.4	13%	0.129	24%	0.243	C	C	.	.	S	Bend	trans	-106.6	175.7	178.5	-162.7	0	0	0	0	113.9	R719 L734 V736 L741 G744 V748	R719-T746 PolarHBondContact NH1-O 2.91Å; L734-T746 PolarHBondContact O-OG1 3.4Å; V736-T746 HydrophobicContact CB-CG2 4.07Å; V736-T746 HydrophobicContact CG2-CG2 3.91Å; L741-T746 HydrophobicContact CD2-CG2 3.88Å; G744-T746 PolarHBondContact O-N 3.21Å; T746-V748 PolarHBondContact O-N 3.33Å
747	S	85.9	Confident	82.8	Confident	4 Å²	4	38.9 Å²	38.9	3%	0.028	24%	0.243	C	C	.	.			trans	-73.8	102.9	169.5	177.9	0	0	0	0	110.5	R719 S733 L734	R719-S747 PolarHBondContact NH2-OG 2.88Å; S733-S747 CarbonylContact C-O 3.6Å; S733-S747 VanDerWaalsContact CA-O 3.32Å; S733-S747 WeakPolarHBondContact CA-O 3.28Å; L734-S747 VanDerWaalsContact CD1-CB 3.5Å; L734-S747 WeakPolarHBondContact CD1-OG 3.42Å; L734-S747 PolarHBondContact N-O 3.32Å
748	V	89.9	Confident	83.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.9	176.9	54	0	0	0	0	112	I715 L718 R719 V731 V732 L741 T746	I715-V748 HydrophobicContact CG2-CG1 4.25Å; I715-V748 HydrophobicContact CG2-CG2 4.01Å; L718-V748 HydrophobicContact CD1-CG2 3.85Å; R719-V748 PolarHBondContact N-O 2.85Å; V731-V748 HydrophobicContact CG1-CG2 3.66Å; V732-V748 CarbonylContact O-C 3.58Å; V732-V748 VanDerWaalsContact O-CA 3.28Å; V732-V748 WeakPolarHBondContact O-CA 3.4Å; L741-V748 HydrophobicContact CD1-CB 4.21Å; L741-V748 HydrophobicContact CD1-CG2 3.73Å; T746-V748 PolarHBondContact O-N 3.33Å
749	E	91.3	Very high	83.8	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.056	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153.4	-175.8	-43.5	-161.3	-170.6	0	0	113.1	H644 N647 R719 V732 C751	H644-E749 VanDerWaalsContact CE1-CD 3.45Å; H644-E749 IonicContact CE1-OE2 2.72Å; H644-E749 PolarHBondContact CE1-OE2 2.98Å; H644-E749 VanDerWaalsContact CE1-OE2 3.28Å; H644-E749 IonicContact CG-OE1 3.73Å; H644-E749 VanDerWaalsContact ND1-CG 3.32Å; H644-E749 WeakPolarHBondContact ND1-CG 3.34Å; H644-E749 IonicContact ND1-OE1 2.93Å; H644-E749 PolarHBondContact ND1-OE1 2.92Å; H644-E749 IonicContact ND1-OE2 3.53Å; H644-E749 PolarHBondContact ND1-OE2 3.31Å; N647-E749 PolarHBondContact ND2-OE1 2.96Å; N647-E749 PolarHBondContact ND2-OE2 2.77Å; R719-E749 HydrophobicContact CB-CB 4.34Å; R719-E749 HydrophobicContact CB-CG 3.89Å; R719-E749 HydrophobicContact CG-CG 4.4Å; R719-E749 IonicContact CZ-OE1 3.55Å; R719-E749 VanDerWaalsContact CZ-OE1 3.23Å; R719-E749 VanDerWaalsContact NE-CD 3.32Å; R719-E749 IonicContact NE-OE1 3.01Å; R719-E749 PolarHBondContact NE-OE1 2.89Å; R719-E749 VanDerWaalsContact NH2-CG 3.35Å; R719-E749 IonicContact NH2-OE1 3.46Å; R719-E749 PolarHBondContact NH2-OE1 3.1Å; R719-E749 VanDerWaalsContact O-CA 3.3Å; R719-E749 WeakPolarHBondContact O-CA 3.4Å; V732-E749 PolarHBondContact N-O 2.98Å; V732-E749 PolarHBondContact O-N 3.31Å; E749-C751 PolarHBondContact O-N 2.96Å
750	L	91.4	Very high	84.5	Confident	14 Å²	14	36 Å²	36	7%	0.073	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	110.8	163.3	-59.5	-175.8	0	0	0	108.8	L709 A712 L718 R719 T720 Y725 V729 V731	L709-L750 HydrophobicContact CD1-CD1 4.41Å; A712-L750 HydrophobicContact CB-CD2 4.13Å; L718-L750 HydrophobicContact CD1-CD2 3.86Å; L718-L750 HydrophobicContact CD1-CG 3.98Å; L718-L750 HydrophobicContact CD2-CD1 4.32Å; L718-L750 HydrophobicContact CD2-CD2 3.9Å; L718-L750 HydrophobicContact CD2-CG 3.98Å; L718-L750 HydrophobicContact CG-CD2 4.41Å; L718-L750 HydrophobicContact CG-CG 4.26Å; R719-L750 PolarHBondContact O-N 3.29Å; T720-L750 HydrophobicContact CG2-CD1 3.56Å; T720-L750 HydrophobicContact CG2-CG 3.93Å; Y725-L750 HydrophobicContact CD1-CB 4.06Å; Y725-L750 HydrophobicContact CD1-CD1 4.14Å; Y725-L750 HydrophobicContact CD2-CD1 4Å; Y725-L750 HydrophobicContact CE1-CB 3.49Å; Y725-L750 VanDerWaalsContact CE1-CB 3.49Å; Y725-L750 HydrophobicContact CE1-CD1 4.08Å; Y725-L750 HydrophobicContact CE1-CG 4.44Å; Y725-L750 HydrophobicContact CE2-CD1 3.93Å; Y725-L750 HydrophobicContact CG-CD1 4.09Å; V729-L750 HydrophobicContact CB-CD2 4.43Å; V729-L750 HydrophobicContact CG1-CD2 3.7Å; V729-L750 HydrophobicContact CG2-CB 4.23Å; V729-L750 HydrophobicContact CG2-CD1 4.12Å; V729-L750 HydrophobicContact CG2-CD2 3.84Å; V729-L750 HydrophobicContact CG2-CG 4.28Å; V731-L750 HydrophobicContact CG2-CD2 3.83Å
751	C	92.5	Very high	85.2	Confident	13 Å²	13	31.7 Å²	31.7	9%	0.088	21%	0.206	C	C	.	.			trans	-146.7	127.1	-174.8	-170.9	0	0	0	0	112.9	H640 R730 V732 E749 G753 H755	H640-C751 PolarHBondContact NE2-SG 3.13Å; R730-C751 PolarHBondContact NH1-O 2.61Å; R730-C751 VanDerWaalsContact NH1-O 3.1Å; R730-C751 PolarHBondContact O-N 3.43Å; V732-C751 HydrophobicContact CB-CB 4.46Å; V732-C751 HydrophobicContact CG2-CB 3.92Å; E749-C751 PolarHBondContact O-N 2.96Å; C751-G753 PolarHBondContact SG-N 3Å; C751-H755 PolarHBondContact SG-NE2 3.23Å
752	C	90.8	Very high	86.1	Confident	43 Å²	43	31.4 Å²	31.4	29%	0.291	21%	0.205	S	C	.	.			trans	-91.3	2.1	175.1	64.1	0	0	0	0	113.1	Y526 Y573 Q576	Y526-C752 WeakPolarHBondContact CE1-O 3.49Å; Y526-C752 PolarHBondContact OH-O 2.82Å; Y573-C752 WeakPolarHBondContact CE2-O 3.47Å; Q576-C752 PolarHBondContact NE2-SG 3.1Å; Q576-C752 VanDerWaalsContact NE2-SG 3.35Å
753	G	93.4	Very high	87.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-68.1	164.7	180	0	0	0	0	0	115.6	H640 R730 C751 H755	H640-G753 WeakPolarHBondContact CE1-CA 3.46Å; R730-G753 PolarHBondContact NH1-O 2.87Å; C751-G753 PolarHBondContact SG-N 3Å; G753-H755 PolarHBondContact O-CD2 3.24Å; G753-H755 VanDerWaalsContact O-CD2 3.27Å; G753-H755 PolarHBondContact O-NE2 2.93Å
754	T	96.5	Very high	89.8	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.171	C	C	.	.			trans	-86.9	135.3	166.8	54.6	0	0	0	0	109.6	Y526 Y528 Y573 Q579 M637	Y526-T754 HydrophobicContact CD1-CG2 4.48Å; Y526-T754 HydrophobicContact CE1-CG2 4.47Å; Y528-T754 HydrophobicContact CE1-CG2 4.44Å; Y573-T754 HydrophobicContact CD2-CG2 3.87Å; Y573-T754 HydrophobicContact CE2-CG2 4.46Å; Y573-T754 HydrophobicContact CG-CG2 4.43Å; Q579-T754 PolarHBondContact NE2-OG1 3.05Å; Q579-T754 PolarHBondContact OE1-OG1 2.79Å; M637-T754 VanDerWaalsContact CG-OG1 3.29Å; M637-T754 WeakPolarHBondContact CG-OG1 3.38Å
755	H	96.8	Very high	91.9	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	15%	0.154	C	C	.	.			trans	-125.8	156.5	-174.3	-62.6	-71.4	0	0	0	111.5	Y528 M637 H640 T641 H644 V702 C751 G753	Y528-H755 WeakPolarHBondContact CE2-O 3.4Å; Y528-H755 VanDerWaalsContact CZ-O 3.32Å; Y528-H755 PolarHBondContact OH-N 3.24Å; Y528-H755 PolarHBondContact OH-O 2.83Å; M637-H755 WeakPolarHBondContact CE-O 3.36Å; H640-H755 AromaticContact CD2-CE1 3.43Å; H640-H755 PolarHBondContact CD2-CE1 3.05Å; H640-H755 VanDerWaalsContact CD2-CE1 3.43Å; H640-H755 AromaticContact CG-CE1 3.76Å; H640-H755 AromaticContact NE2-CE1 3.81Å; T641-H755 WeakPolarHBondContact OG1-CA 3.33Å; H644-H755 AromaticContact CD2-CE1 3.38Å; H644-H755 PolarHBondContact CD2-CE1 2.87Å; H644-H755 AromaticContact CD2-ND1 3.75Å; H644-H755 AromaticContact NE2-CE1 3.11Å; H644-H755 PolarHBondContact NE2-CE1 3.19Å; H644-H755 AromaticContact NE2-ND1 3.94Å; H644-H755 AromaticContact NE2-NE2 3.9Å; V702-H755 HydrophobicContact CG1-CB 4.09Å; C751-H755 PolarHBondContact SG-NE2 3.23Å; G753-H755 PolarHBondContact O-CD2 3.24Å; G753-H755 VanDerWaalsContact O-CD2 3.27Å; G753-H755 PolarHBondContact O-NE2 2.93Å
756	L	97.3	Very high	93.5	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	12%	0.116	C	C	.	.			trans	-62.8	152.9	162.3	-64.2	170.1	0	0	0	109.3	Y535 L634 M637 V638 T641 V702 I762	Y535-L756 HydrophobicContact CE1-CD2 4.35Å; Y535-L756 HydrophobicContact CE2-CD2 3.85Å; Y535-L756 WeakPolarHBondContact OH-CA 3.22Å; Y535-L756 WeakPolarHBondContact OH-CB 3.44Å; Y535-L756 WeakPolarHBondContact OH-CD2 3.48Å; L634-L756 HydrophobicContact CD1-CD2 3.76Å; M637-L756 HydrophobicContact CB-CD2 4.33Å; M637-L756 HydrophobicContact CB-CG 4.49Å; V638-L756 HydrophobicContact CB-CD1 4.3Å; V638-L756 HydrophobicContact CG2-CD1 3.97Å; V638-L756 HydrophobicContact CG2-CD2 3.97Å; V638-L756 HydrophobicContact CG2-CG 4.34Å; T641-L756 HydrophobicContact CG2-CB 4.32Å; T641-L756 PolarHBondContact OG1-N 3.12Å; V702-L756 WeakPolarHBondContact CB-O 3.41Å; V702-L756 WeakPolarHBondContact CG1-O 3.24Å; V702-L756 WeakPolarHBondContact CG2-O 3.44Å; L756-I762 HydrophobicContact CD1-CB 4.45Å; L756-I762 HydrophobicContact CD1-CD1 4.35Å; L756-I762 HydrophobicContact CD1-CG1 3.38Å
757	L	96.8	Very high	94.6	Very high	52 Å²	52	19.9 Å²	19.9	27%	0.272	11%	0.112	S	C	.	.	S	Bend	trans	-80.6	-20.2	173.7	-66.4	173.2	0	0	0	112.3	Y528 L530 Y535 V702	Y528-L757 HydrophobicContact CD2-CD1 4.28Å; Y528-L757 HydrophobicContact CD2-CD2 4.42Å; Y528-L757 HydrophobicContact CD2-CG 4.24Å; Y528-L757 HydrophobicContact CE2-CD2 4.1Å; Y528-L757 HydrophobicContact CE2-CG 4.15Å; L530-L757 HydrophobicContact CD1-CB 4.28Å; L530-L757 HydrophobicContact CD1-CD1 4.47Å; L530-L757 HydrophobicContact CG-CD1 4.07Å; Y535-L757 HydrophobicContact CE1-CB 4.31Å; Y535-L757 HydrophobicContact CE1-CD1 4.1Å; Y535-L757 HydrophobicContact CE1-CG 3.93Å; Y535-L757 PolarHBondContact OH-N 3.06Å; V702-L757 PolarHBondContact N-O 3.46Å
758	Q	96	Very high	95.1	Very high	58 Å²	58	20.4 Å²	20.4	27%	0.271	12%	0.115	S	C	.	.	B	Isolated β-bridge	trans	-142.2	139.1	179.8	-58.1	-172	-47.8	0	0	111.1	L530 N699 Q700 D701 G760 S761	L530-Q758 HydrophobicContact CD1-CG 4.35Å; N699-Q758 WeakPolarHBondContact OD1-CB 3.47Å; Q700-Q758 WeakPolarHBondContact O-CA 3.18Å; D701-Q758 PolarHBondContact OD1-NE2 3.29Å; D701-Q758 VanDerWaalsContact OD1-NE2 3.08Å; Q758-G760 VanDerWaalsContact C-N 3.33Å; Q758-G760 PolarHBondContact O-N 3.16Å; Q758-S761 WeakPolarHBondContact O-CB 3.42Å; Q758-S761 PolarHBondContact O-N 3.31Å
759	T	96	Very high	95.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-67	-30.8	-175.5	61.2	0	0	0	0	113.3	I645 V695 N699 Q700 V702 L734 S761 I762	I645-T759 HydrophobicContact CD1-CG2 4.11Å; V695-T759 HydrophobicContact CG1-CG2 4.29Å; V695-T759 PolarHBondContact O-OG1 3.21Å; N699-T759 WeakPolarHBondContact CA-OG1 3.23Å; Q700-T759 HydrophobicContact CB-CG2 4.35Å; Q700-T759 PolarHBondContact N-OG1 3.31Å; Q700-T759 PolarHBondContact O-N 2.92Å; V702-T759 HydrophobicContact CG2-CG2 4.33Å; L734-T759 HydrophobicContact CD1-CG2 4.24Å; L734-T759 HydrophobicContact CD2-CG2 4.3Å; T759-S761 PolarHBondContact O-N 3.34Å; T759-I762 WeakPolarHBondContact O-CB 3.47Å; T759-I762 VanDerWaalsContact O-CG1 3.31Å; T759-I762 WeakPolarHBondContact O-CG1 3.41Å; T759-I762 PolarHBondContact O-N 3.07Å; T759-I762 VanDerWaalsContact O-N 3.16Å
760	G	94.8	Very high	95.5	Very high	23 Å²	23	21.4 Å²	21.4	24%	0.237	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-69.2	-17.9	179.8	0	0	0	0	0	113.5	I696 N699 Q758 I762 Q763	I696-G760 WeakPolarHBondContact O-CA 3.5Å; N699-G760 WeakPolarHBondContact OD1-CA 3.11Å; N699-G760 PolarHBondContact OD1-N 2.87Å; Q758-G760 VanDerWaalsContact C-N 3.33Å; Q758-G760 PolarHBondContact O-N 3.16Å; G760-I762 PolarHBondContact O-N 2.87Å; G760-I762 VanDerWaalsContact O-N 3.13Å; G760-Q763 PolarHBondContact O-N 3.44Å
761	S	95.3	Very high	95.4	Very high	40 Å²	40	27 Å²	27	28%	0.28	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-63.5	-14.8	171.9	-66.2	0	0	0	0	113.2	Q758 T759 Q763	Q758-S761 WeakPolarHBondContact O-CB 3.42Å; Q758-S761 PolarHBondContact O-N 3.31Å; T759-S761 PolarHBondContact O-N 3.34Å; S761-Q763 PolarHBondContact O-N 2.83Å
762	I	96.2	Very high	95	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-69.2	-25.6	172.1	-61.9	170	0	0	0	111.4	V638 T641 A642 I645 I696 L756 T759 G760 D764 L765 T784 G785	V638-I762 HydrophobicContact CG1-CG2 4.36Å; T641-I762 HydrophobicContact CG2-CD1 4.05Å; A642-I762 HydrophobicContact CB-CD1 4.2Å; A642-I762 HydrophobicContact CB-CG2 4.36Å; I645-I762 HydrophobicContact CD1-CD1 3.4Å; I645-I762 VanDerWaalsContact CD1-CD1 3.4Å; I696-I762 HydrophobicContact CD1-CB 4.3Å; I696-I762 HydrophobicContact CD1-CG2 3.86Å; I696-I762 HydrophobicContact CG1-CB 4.46Å; I696-I762 HydrophobicContact CG1-CD1 4.48Å; L756-I762 HydrophobicContact CD1-CB 4.45Å; L756-I762 HydrophobicContact CD1-CD1 4.35Å; L756-I762 HydrophobicContact CD1-CG1 3.38Å; T759-I762 WeakPolarHBondContact O-CB 3.47Å; T759-I762 VanDerWaalsContact O-CG1 3.31Å; T759-I762 WeakPolarHBondContact O-CG1 3.41Å; T759-I762 PolarHBondContact O-N 3.07Å; T759-I762 VanDerWaalsContact O-N 3.16Å; G760-I762 PolarHBondContact O-N 2.87Å; G760-I762 VanDerWaalsContact O-N 3.13Å; I762-D764 WeakPolarHBondContact CG2-O 3.24Å; I762-D764 PolarHBondContact O-N 3.48Å; I762-L765 HydrophobicContact CG2-CB 4.36Å; I762-T784 HydrophobicContact CG2-CG2 4.3Å; I762-G785 WeakPolarHBondContact O-CA 3.25Å; I762-G785 PolarHBondContact O-N 3.1Å
763	Q	95.2	Very high	94.2	Very high	128 Å²	128	32 Å²	32	60%	0.598	16%	0.164	S	C	*	.			trans	64.7	-59.9	-173	-50	169.6	-1.8	0	0	113.5	G760 S761	G760-Q763 PolarHBondContact O-N 3.44Å; S761-Q763 PolarHBondContact O-N 2.83Å
764	D	96	Very high	92.8	Very high	18 Å²	18	33 Å²	33	10%	0.096	17%	0.17	C	C	.	.			trans	-154.7	157.7	176.3	-165	4.2	0	0	0	110.6	I762 T784 G785 A788 V789 R792	I762-D764 WeakPolarHBondContact CG2-O 3.24Å; I762-D764 PolarHBondContact O-N 3.48Å; D764-T784 CarbonylContact O-C 3.19Å; D764-T784 WeakPolarHBondContact O-CA 3.31Å; D764-G785 PolarHBondContact O-N 3.21Å; D764-A788 HydrophobicContact CB-CB 3.81Å; D764-V789 HydrophobicContact CB-CG2 4.26Å; D764-R792 IonicContact OD1-CZ 3.8Å; D764-R792 IonicContact OD1-NE 2.8Å; D764-R792 PolarHBondContact OD1-NE 3.39Å; D764-R792 IonicContact OD1-NH2 3.9Å; D764-R792 PolarHBondContact OD1-NH2 2.86Å; D764-R792 VanDerWaalsContact OD2-CD 3.27Å; D764-R792 WeakPolarHBondContact OD2-CD 3.34Å; D764-R792 IonicContact OD2-CZ 3.7Å; D764-R792 IonicContact OD2-NE 3.08Å; D764-R792 PolarHBondContact OD2-NE 3.26Å; D764-R792 IonicContact OD2-NH2 3.5Å
765	L	97.8	Very high	91.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	123.3	177.7	168.6	64.3	0	0	0	109.1	A642 L646 L670 I692 I696 I762 A782 V783 T784 R792	A642-L765 HydrophobicContact CB-CD1 4.14Å; A642-L765 HydrophobicContact CB-CD2 3.93Å; L646-L765 HydrophobicContact CB-CD2 4.41Å; L670-L765 HydrophobicContact CD1-CD1 4.32Å; I692-L765 HydrophobicContact CD1-CD2 4.05Å; I692-L765 HydrophobicContact CD1-CG 4.4Å; I692-L765 HydrophobicContact CG1-CD2 4.26Å; I692-L765 HydrophobicContact CG2-CB 3.66Å; I692-L765 HydrophobicContact CG2-CD2 3.66Å; I692-L765 HydrophobicContact CG2-CG 3.85Å; I696-L765 HydrophobicContact CD1-CB 3.76Å; I762-L765 HydrophobicContact CG2-CB 4.36Å; L765-A782 HydrophobicContact CD1-CB 3.7Å; L765-V783 WeakPolarHBondContact CA-O 3.17Å; L765-V783 WeakPolarHBondContact CD1-O 3.28Å; L765-T784 HydrophobicContact CD1-CG2 3.8Å; L765-R792 PolarHBondContact O-NH2 2.9Å
766	V	97.8	Very high	89.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.6	-177.6	172.2	0	0	0	0	110.7	V768 A782 V783 A788 A791 R792 P840	V766-V768 HydrophobicContact CG1-CG1 3.98Å; V766-V768 PolarHBondContact O-N 3.42Å; V766-A782 CarbonylContact O-C 3.5Å; V766-A782 WeakPolarHBondContact O-CA 3.26Å; V766-A782 WeakPolarHBondContact O-CB 3.12Å; V766-V783 HydrophobicContact CB-CG2 4.14Å; V766-V783 PolarHBondContact N-O 3.05Å; V766-V783 PolarHBondContact O-N 3.17Å; V766-A788 HydrophobicContact CB-CB 4.1Å; V766-A788 HydrophobicContact CG2-CB 3.82Å; V766-A791 HydrophobicContact CG1-CB 4.29Å; V766-R792 HydrophobicContact CG2-CG 3.81Å; V766-P840 HydrophobicContact CG1-CB 4.02Å; V766-P840 HydrophobicContact CG1-CG 3.85Å
767	I	98.1	Very high	89.1	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	112.2	167.6	-61.1	168.2	0	0	0	108	L646 L685 V688 I692 I780 Q841	L646-I767 HydrophobicContact CD1-CD1 3.9Å; L646-I767 HydrophobicContact CD1-CG1 4.17Å; L685-I767 HydrophobicContact CD2-CD1 4.42Å; V688-I767 HydrophobicContact CG1-CD1 3.81Å; I692-I767 HydrophobicContact CD1-CD1 4.49Å; I767-I780 HydrophobicContact CD1-CD1 4.1Å; I767-I780 HydrophobicContact CG1-CG2 4.06Å; I767-I780 HydrophobicContact CG2-CG1 4.23Å; I767-I780 HydrophobicContact CG2-CG2 3.95Å; I767-Q841 HydrophobicContact CG2-CB 3.99Å; I767-Q841 WeakPolarHBondContact O-CB 3.46Å; I767-Q841 PolarHBondContact O-N 3.49Å
768	V	96.8	Very high	88.7	Confident	16 Å²	16	35.3 Å²	35.3	10%	0.097	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-13.4	179.4	-67.4	0	0	0	0	112.7	V766 V781 V783 A791 P838 R844	V766-V768 HydrophobicContact CG1-CG1 3.98Å; V766-V768 PolarHBondContact O-N 3.42Å; V768-V781 HydrophobicContact CG2-CB 4.43Å; V768-V781 HydrophobicContact CG2-CG1 4.13Å; V768-V781 WeakPolarHBondContact CG2-O 3.33Å; V768-V781 PolarHBondContact N-O 2.81Å; V768-V783 HydrophobicContact CG1-CG1 4.31Å; V768-V783 HydrophobicContact CG1-CG2 3.69Å; V768-V783 HydrophobicContact CG2-CG1 4.14Å; V768-A791 HydrophobicContact CG1-CB 4.32Å; V768-P838 HydrophobicContact CG1-CB 4.42Å; V768-R844 PolarHBondContact O-NH1 3.19Å
769	S	95.7	Very high	88.6	Confident	25 Å²	25	35.6 Å²	35.6	18%	0.175	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	139.2	174.5	-156.7	0	0	0	0	111.2	I780 V781	S769-I780 WeakPolarHBondContact O-CA 3.41Å; S769-V781 PolarHBondContact N-O 3.1Å; S769-V781 VanDerWaalsContact N-O 3.15Å; S769-V781 PolarHBondContact O-N 3.02Å
770	E	94.9	Very high	88.6	Confident	7 Å²	7	35.6 Å²	35.6	3%	0.033	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.7	166.1	-175	-86.1	143.4	0	0	107.7	L680 S778 R779 I780 Q841 R845	L680-E770 HydrophobicContact CD1-CG 4.38Å; E770-S778 WeakPolarHBondContact OE1-CB 3.3Å; E770-S778 PolarHBondContact OE1-OG 3.43Å; E770-R779 WeakPolarHBondContact CA-O 3.44Å; E770-I780 HydrophobicContact CB-CG1 4.28Å; E770-I780 HydrophobicContact CG-CG1 4.15Å; E770-Q841 HydrophobicContact CB-CG 4.12Å; E770-R845 IonicContact OE2-CZ 3.66Å; E770-R845 IonicContact OE2-NH1 3.04Å; E770-R845 IonicContact OE2-NH2 2.71Å; E770-R845 PolarHBondContact OE2-NH2 2.94Å
771	K	89.6	Confident	88.7	Confident	133 Å²	133	36.4 Å²	36.4	58%	0.578	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	122.1	179.7	-65	-174.7	-176.6	-179.2	0	109.9	Q773 R779	K771-Q773 PolarHBondContact O-N 3.25Å; K771-Q773 PolarHBondContact O-NE2 2.69Å; K771-R779 PolarHBondContact N-O 3.24Å; K771-R779 PolarHBondContact O-N 3.07Å
772	Q	83	Confident	88.8	Confident	74 Å²	74	34.6 Å²	34.6	35%	0.346	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	118	167.8	-168.7	167.9	28.8	0	0	109.3	V774	Q772-V774 VanDerWaalsContact CG-O 3.22Å; Q772-V774 WeakPolarHBondContact CG-O 3.07Å
773	Q	74.5	Confident	88.9	Confident	87 Å²	87	36 Å²	36	41%	0.407	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-51	179.3	-61	-59.4	-81.8	0	0	109.5	K771 I777 R779	K771-Q773 PolarHBondContact O-N 3.25Å; K771-Q773 PolarHBondContact O-NE2 2.69Å; Q773-I777 PolarHBondContact N-O 2.94Å; Q773-R779 HydrophobicContact CG-CB 3.65Å
774	V	63.9	Low	88.9	Confident	19 Å²	19	30.4 Å²	30.4	12%	0.115	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	165.2	172.7	-66.7	0	0	0	0	108.8	E361 Q772 G776 I777	E361-V774 VanDerWaalsContact OE2-CG1 3.32Å; E361-V774 WeakPolarHBondContact OE2-CG1 3.38Å; Q772-V774 VanDerWaalsContact CG-O 3.22Å; Q772-V774 WeakPolarHBondContact CG-O 3.07Å; V774-G776 PolarHBondContact O-N 2.62Å; V774-I777 HydrophobicContact CG2-CB 3.91Å; V774-I777 HydrophobicContact CG2-CD1 4.01Å; V774-I777 HydrophobicContact CG2-CG1 4.11Å; V774-I777 PolarHBondContact O-N 2.57Å
775	K	63.6	Low	88.9	Confident	69 Å²	69	30 Å²	30	30%	0.3	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	129.9	178.2	-158.7	177.6	-168.4	-173	0	109.3	E417 H421	E417-K775 IonicContact OE1-NZ 2.84Å; E417-K775 WeakPolarHBondContact OE2-CE 3.4Å; E417-K775 IonicContact OE2-NZ 3.48Å; E417-K775 PolarHBondContact OE2-NZ 3.33Å; H421-K775 PolarHBondContact NE2-NZ 3.29Å
776	G	69.4	Low	88.6	Confident	15 Å²	15	35.5 Å²	35.5	16%	0.155	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-12.6	-175.3	0	0	0	0	0	116	S675 V676 V774	S675-G776 CarbonylContact C-O 3.46Å; S675-G776 WeakPolarHBondContact CA-O 3.31Å; V676-G776 PolarHBondContact N-O 3.34Å; V676-G776 CarbonylContact O-C 3.57Å; V676-G776 VanDerWaalsContact O-C 3.29Å; V676-G776 WeakPolarHBondContact O-CA 3.36Å; V774-G776 PolarHBondContact O-N 2.62Å
777	I	79.1	Confident	88.5	Confident	20 Å²	20	39.6 Å²	39.6	10%	0.103	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	122.1	-179.3	-55.3	178.2	0	0	0	111	R661 F674 Q773 V774	R661-I777 HydrophobicContact CG-CD1 4.4Å; R661-I777 HydrophobicContact CG-CG1 4.48Å; F674-I777 WeakPolarHBondContact O-CA 3.42Å; Q773-I777 PolarHBondContact N-O 2.94Å; V774-I777 HydrophobicContact CG2-CB 3.91Å; V774-I777 HydrophobicContact CG2-CD1 4.01Å; V774-I777 HydrophobicContact CG2-CG1 4.11Å; V774-I777 PolarHBondContact O-N 2.57Å
778	S	89.9	Confident	88.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.5	174.5	-76.2	0	0	0	0	111.6	D673 F674 V676 E770	D673-S778 WeakPolarHBondContact CA-O 3.41Å; F674-S778 WeakPolarHBondContact CD1-O 3.3Å; F674-S778 PolarHBondContact N-O 3.44Å; F674-S778 PolarHBondContact O-N 3.09Å; V676-S778 WeakPolarHBondContact CG1-OG 3.36Å; E770-S778 WeakPolarHBondContact OE1-CB 3.3Å; E770-S778 PolarHBondContact OE1-OG 3.43Å
779	R	93.2	Very high	88.3	Confident	64 Å²	64	40.7 Å²	40.7	24%	0.242	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.1	175.3	173	166.9	-70.5	165.1	-4.5	109.8	R671 F672 D673 E770 K771 Q773	R671-R779 HydrophobicContact CG-CG 4Å; F672-R779 WeakPolarHBondContact O-CA 3.47Å; D673-R779 VanDerWaalsContact OD1-CB 3.24Å; D673-R779 WeakPolarHBondContact OD1-CB 3.35Å; D673-R779 WeakPolarHBondContact OD1-CG 3.44Å; D673-R779 IonicContact OD1-CZ 2.87Å; D673-R779 IonicContact OD1-NE 2.81Å; D673-R779 PolarHBondContact OD1-NE 3.18Å; D673-R779 IonicContact OD1-NH2 3.58Å; D673-R779 IonicContact OD2-CZ 3.37Å; D673-R779 IonicContact OD2-NE 3.76Å; D673-R779 IonicContact OD2-NH2 3.74Å; D673-R779 PolarHBondContact OD2-NH2 2.85Å; E770-R779 WeakPolarHBondContact CA-O 3.44Å; K771-R779 PolarHBondContact N-O 3.24Å; K771-R779 PolarHBondContact O-N 3.07Å; Q773-R779 HydrophobicContact CG-CB 3.65Å
780	I	96.5	Very high	88.4	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.6	169	-79.6	165.8	0	0	0	109.7	L646 L650 R671 F672 F674 I767 S769 E770 A782	L646-I780 HydrophobicContact CD1-CD1 4.42Å; L646-I780 HydrophobicContact CD2-CG2 3.84Å; L650-I780 HydrophobicContact CD1-CD1 3.99Å; L650-I780 HydrophobicContact CD2-CD1 3.98Å; R671-I780 WeakPolarHBondContact CA-O 3.49Å; F672-I780 PolarHBondContact N-O 2.83Å; F672-I780 PolarHBondContact O-N 2.93Å; F674-I780 HydrophobicContact CD1-CD1 4.32Å; F674-I780 HydrophobicContact CE1-CB 4.48Å; F674-I780 HydrophobicContact CE1-CD1 3.39Å; F674-I780 HydrophobicContact CE1-CG1 3.78Å; F674-I780 HydrophobicContact CZ-CD1 3.81Å; F674-I780 HydrophobicContact CZ-CG1 4.44Å; I767-I780 HydrophobicContact CD1-CD1 4.1Å; I767-I780 HydrophobicContact CG1-CG2 4.06Å; I767-I780 HydrophobicContact CG2-CG1 4.23Å; I767-I780 HydrophobicContact CG2-CG2 3.95Å; S769-I780 WeakPolarHBondContact O-CA 3.41Å; E770-I780 HydrophobicContact CB-CG1 4.28Å; E770-I780 HydrophobicContact CG-CG1 4.15Å; I780-A782 HydrophobicContact CG2-CB 4.28Å
781	V	96.8	Very high	88.5	Confident	40 Å²	40	43.8 Å²	43.8	24%	0.242	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.5	161.7	-178.6	0	0	0	0	107.4	L670 V768 S769	L670-V781 WeakPolarHBondContact O-CA 3.46Å; V768-V781 HydrophobicContact CG2-CB 4.43Å; V768-V781 HydrophobicContact CG2-CG1 4.13Å; V768-V781 WeakPolarHBondContact CG2-O 3.33Å; V768-V781 PolarHBondContact N-O 2.81Å; S769-V781 PolarHBondContact N-O 3.1Å; S769-V781 VanDerWaalsContact N-O 3.15Å; S769-V781 PolarHBondContact O-N 3.02Å
782	A	97.4	Very high	88.8	Confident	3 Å²	3	38.8 Å²	38.8	3%	0.025	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	155.3	-179	0	0	0	0	0	111.4	L670 L765 V766 I780	L670-A782 HydrophobicContact CD2-CB 4.23Å; L670-A782 PolarHBondContact O-N 3.2Å; L765-A782 HydrophobicContact CD1-CB 3.7Å; V766-A782 CarbonylContact O-C 3.5Å; V766-A782 WeakPolarHBondContact O-CA 3.26Å; V766-A782 WeakPolarHBondContact O-CB 3.12Å; I780-A782 HydrophobicContact CG2-CB 4.28Å
783	V	96.9	Very high	89.4	Confident	31 Å²	31	38.9 Å²	38.9	19%	0.188	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154.5	175.8	-63	0	0	0	0	109.3	L765 V766 V768 D787 A788 A791	L765-V783 WeakPolarHBondContact CA-O 3.17Å; L765-V783 WeakPolarHBondContact CD1-O 3.28Å; V766-V783 HydrophobicContact CB-CG2 4.14Å; V766-V783 PolarHBondContact N-O 3.05Å; V766-V783 PolarHBondContact O-N 3.17Å; V768-V783 HydrophobicContact CG1-CG1 4.31Å; V768-V783 HydrophobicContact CG1-CG2 3.69Å; V768-V783 HydrophobicContact CG2-CG1 4.14Å; V783-D787 HydrophobicContact CB-CB 3.95Å; V783-D787 HydrophobicContact CG2-CB 4.35Å; V783-A788 HydrophobicContact CG2-CB 4.13Å; V783-A791 HydrophobicContact CG2-CB 4.44Å
784	T	97.2	Very high	90.4	Very high	10 Å²	10	37.5 Å²	37.5	6%	0.061	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	162.5	-174.4	54.2	0	0	0	0	111.3	V638 K639 A642 L670 I762 D764 L765 D787	V638-T784 HydrophobicContact CG1-CG2 4.1Å; K639-T784 HydrophobicContact CG-CG2 4.18Å; A642-T784 HydrophobicContact CB-CG2 3.78Å; L670-T784 HydrophobicContact CD1-CG2 4.48Å; I762-T784 HydrophobicContact CG2-CG2 4.3Å; D764-T784 CarbonylContact O-C 3.19Å; D764-T784 WeakPolarHBondContact O-CA 3.31Å; L765-T784 HydrophobicContact CD1-CG2 3.8Å; T784-D787 PolarHBondContact O-N 2.83Å
785	G	94.4	Very high	91.9	Very high	10 Å²	10	36.6 Å²	36.6	10%	0.103	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	-135.2	171	0	0	0	0	0	113	I762 D764 D787 A788 V789	I762-G785 WeakPolarHBondContact O-CA 3.25Å; I762-G785 PolarHBondContact O-N 3.1Å; D764-G785 PolarHBondContact O-N 3.21Å; G785-D787 VanDerWaalsContact C-N 3.29Å; G785-D787 PolarHBondContact O-N 2.82Å; G785-A788 WeakPolarHBondContact O-CB 3.25Å; G785-A788 PolarHBondContact O-N 2.86Å; G785-A788 VanDerWaalsContact O-N 3.09Å; G785-V789 PolarHBondContact O-N 2.94Å; G785-V789 VanDerWaalsContact O-N 3.13Å
786	Q	92.6	Very high	93.5	Very high	114 Å²	114	39.2 Å²	39.2	53%	0.533	20%	0.196	S	C	.	.	H	α-helix	trans	-59.6	-36.8	-177.9	-167.2	64.8	11.6	0	0	113.2	A788 V789 Q790	Q786-A788 VanDerWaalsContact C-N 3.28Å; Q786-A788 PolarHBondContact O-N 3.01Å; Q786-V789 PolarHBondContact O-N 3.2Å; Q786-Q790 WeakPolarHBondContact O-CG 3.42Å; Q786-Q790 PolarHBondContact O-N 3.21Å
787	D	94.8	Very high	94.8	Very high	87 Å²	87	40.5 Å²	40.5	47%	0.465	21%	0.205	S	C	.	.	H	α-helix	trans	-65.3	-34.3	178.2	-63.4	-17.8	0	0	0	111.6	V783 T784 G785 A791	V783-D787 HydrophobicContact CB-CB 3.95Å; V783-D787 HydrophobicContact CG2-CB 4.35Å; T784-D787 PolarHBondContact O-N 2.83Å; G785-D787 VanDerWaalsContact C-N 3.29Å; G785-D787 PolarHBondContact O-N 2.82Å; D787-A791 WeakPolarHBondContact O-CB 3.32Å; D787-A791 PolarHBondContact O-N 2.95Å
788	A	96.4	Very high	95.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69.1	-42.6	174.6	0	0	0	0	0	111.7	D764 V766 V783 G785 Q786 A791 R792	D764-A788 HydrophobicContact CB-CB 3.81Å; V766-A788 HydrophobicContact CB-CB 4.1Å; V766-A788 HydrophobicContact CG2-CB 3.82Å; V783-A788 HydrophobicContact CG2-CB 4.13Å; G785-A788 WeakPolarHBondContact O-CB 3.25Å; G785-A788 PolarHBondContact O-N 2.86Å; G785-A788 VanDerWaalsContact O-N 3.09Å; Q786-A788 VanDerWaalsContact C-N 3.28Å; Q786-A788 PolarHBondContact O-N 3.01Å; A788-A791 PolarHBondContact O-N 3.32Å; A788-R792 WeakPolarHBondContact O-CG 3.22Å; A788-R792 PolarHBondContact O-N 2.93Å
789	V	95.5	Very high	95.9	Very high	47 Å²	47	41.2 Å²	41.2	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-59.6	-49.3	174.7	176.6	0	0	0	0	110.5	D764 G785 Q786 A791 R792 D793	D764-V789 HydrophobicContact CB-CG2 4.26Å; G785-V789 PolarHBondContact O-N 2.94Å; G785-V789 VanDerWaalsContact O-N 3.13Å; Q786-V789 PolarHBondContact O-N 3.2Å; V789-A791 VanDerWaalsContact C-N 3.32Å; V789-A791 PolarHBondContact O-N 3.28Å; V789-R792 PolarHBondContact O-N 3.15Å; V789-R792 VanDerWaalsContact O-N 3.11Å; V789-D793 PolarHBondContact O-N 3.37Å
790	Q	96.2	Very high	96.1	Very high	95 Å²	95	44.6 Å²	44.6	44%	0.444	23%	0.229	S	C	.	.	H	α-helix	trans	-57.7	-43.5	176.4	-72.4	178	19.6	0	0	111.7	Q786 R792 D793 M794	Q786-Q790 WeakPolarHBondContact O-CG 3.42Å; Q786-Q790 PolarHBondContact O-N 3.21Å; Q790-R792 VanDerWaalsContact C-N 3.29Å; Q790-R792 PolarHBondContact O-N 3.44Å; Q790-D793 PolarHBondContact O-N 3.08Å; Q790-M794 VanDerWaalsContact O-CG 3.24Å; Q790-M794 WeakPolarHBondContact O-CG 3.48Å; Q790-M794 PolarHBondContact O-N 3.29Å
791	A	96.8	Very high	96	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-39.3	177.7	0	0	0	0	0	112.3	V766 V768 V783 D787 A788 V789 G795 P838 P840	V766-A791 HydrophobicContact CG1-CB 4.29Å; V768-A791 HydrophobicContact CG1-CB 4.32Å; V783-A791 HydrophobicContact CG2-CB 4.44Å; D787-A791 WeakPolarHBondContact O-CB 3.32Å; D787-A791 PolarHBondContact O-N 2.95Å; A788-A791 PolarHBondContact O-N 3.32Å; V789-A791 VanDerWaalsContact C-N 3.32Å; V789-A791 PolarHBondContact O-N 3.28Å; A791-G795 PolarHBondContact O-N 3.23Å; A791-P838 WeakPolarHBondContact CA-O 3.16Å; A791-P838 VanDerWaalsContact CB-O 3.28Å; A791-P838 WeakPolarHBondContact CB-O 3.09Å; A791-P840 VanDerWaalsContact O-CD 3.29Å; A791-P840 WeakPolarHBondContact O-CD 3.3Å
792	R	96.3	Very high	95.9	Very high	28 Å²	28	47.4 Å²	47.4	11%	0.106	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-41.4	175	-66.2	-169.7	-170.2	-84.7	-3.6	112.3	D689 D764 L765 V766 A788 V789 Q790 G795 R796 P840	D689-R792 IonicContact OD1-CZ 3.19Å; D689-R792 IonicContact OD1-NH1 3.89Å; D689-R792 PolarHBondContact OD1-NH1 3.42Å; D689-R792 IonicContact OD1-NH2 3.61Å; D689-R792 PolarHBondContact OD1-NH2 3.28Å; D689-R792 IonicContact OD2-CZ 3.39Å; D689-R792 IonicContact OD2-NH1 3.61Å; D689-R792 PolarHBondContact OD2-NH1 3.4Å; D689-R792 VanDerWaalsContact OD2-NH1 3.08Å; D689-R792 IonicContact OD2-NH2 2.91Å; D764-R792 IonicContact OD1-CZ 3.8Å; D764-R792 IonicContact OD1-NE 2.8Å; D764-R792 PolarHBondContact OD1-NE 3.39Å; D764-R792 IonicContact OD1-NH2 3.9Å; D764-R792 PolarHBondContact OD1-NH2 2.86Å; D764-R792 VanDerWaalsContact OD2-CD 3.27Å; D764-R792 WeakPolarHBondContact OD2-CD 3.34Å; D764-R792 IonicContact OD2-CZ 3.7Å; D764-R792 IonicContact OD2-NE 3.08Å; D764-R792 PolarHBondContact OD2-NE 3.26Å; D764-R792 IonicContact OD2-NH2 3.5Å; L765-R792 PolarHBondContact O-NH2 2.9Å; V766-R792 HydrophobicContact CG2-CG 3.81Å; A788-R792 WeakPolarHBondContact O-CG 3.22Å; A788-R792 PolarHBondContact O-N 2.93Å; V789-R792 PolarHBondContact O-N 3.15Å; V789-R792 VanDerWaalsContact O-N 3.11Å; Q790-R792 VanDerWaalsContact C-N 3.29Å; Q790-R792 PolarHBondContact O-N 3.44Å; R792-G795 PolarHBondContact O-N 3.49Å; R792-R796 WeakPolarHBondContact O-CG 3.47Å; R792-R796 PolarHBondContact O-N 3.27Å; R792-P840 HydrophobicContact CG-CG 4.16Å
793	D	96.4	Very high	95.8	Very high	76 Å²	76	50.7 Å²	50.7	41%	0.406	26%	0.257	S	S	.	.	H	α-helix	trans	-59.2	-47.6	175.8	-80.6	-41.4	0	0	0	111.6	V789 Q790 G795 R796 A797	V789-D793 PolarHBondContact O-N 3.37Å; Q790-D793 PolarHBondContact O-N 3.08Å; D793-G795 VanDerWaalsContact C-N 3.32Å; D793-G795 PolarHBondContact O-N 3.48Å; D793-R796 WeakPolarHBondContact O-CB 3.37Å; D793-R796 PolarHBondContact O-N 2.93Å; D793-R796 IonicContact OD1-CZ 3.4Å; D793-R796 IonicContact OD1-NE 3.56Å; D793-R796 IonicContact OD1-NH2 2.58Å; D793-R796 PolarHBondContact OD1-NH2 3.27Å; D793-A797 PolarHBondContact O-N 3.21Å
794	M	95.6	Very high	95.6	Very high	58 Å²	58	51.9 Å²	51.9	29%	0.286	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-41.8	175.7	-66.1	168.6	87.8	0	0	111.3	Q790 R796 A797 L798 M837 P838 V839	Q790-M794 VanDerWaalsContact O-CG 3.24Å; Q790-M794 WeakPolarHBondContact O-CG 3.48Å; Q790-M794 PolarHBondContact O-N 3.29Å; M794-R796 PolarHBondContact O-N 3.17Å; M794-A797 PolarHBondContact O-N 2.94Å; M794-L798 WeakPolarHBondContact O-CB 3.47Å; M794-L798 WeakPolarHBondContact O-CG 3.27Å; M794-L798 PolarHBondContact O-N 3.39Å; M794-M837 HydrophobicContact CE-CB 3.84Å; M794-M837 HydrophobicContact CE-CE 4.47Å; M794-M837 HydrophobicContact CE-CG 3.74Å; M794-M837 HydrophobicContact CE-SD 3.73Å; M794-P838 HydrophobicContact CE-CG 4.22Å; M794-P838 HydrophobicContact SD-CG 3.97Å; M794-V839 HydrophobicContact CB-CG1 3.95Å
795	G	95.9	Very high	95.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.6	-44.5	174.2	0	0	0	0	0	112.8	A791 R792 D793 T799 Q843	A791-G795 PolarHBondContact O-N 3.23Å; R792-G795 PolarHBondContact O-N 3.49Å; D793-G795 VanDerWaalsContact C-N 3.32Å; D793-G795 PolarHBondContact O-N 3.48Å; G795-T799 WeakPolarHBondContact O-CB 3.29Å; G795-T799 PolarHBondContact O-N 3.38Å; G795-T799 PolarHBondContact O-OG1 3.06Å; G795-Q843 PolarHBondContact O-NE2 3.47Å
796	R	96.6	Very high	95.1	Very high	124 Å²	124	52.4 Å²	52.4	47%	0.468	27%	0.269	S	S	.	.	H	α-helix	trans	-62.5	-47.8	175.8	-75.4	-170.6	-73.4	-97.1	11.3	111.9	R792 D793 M794 T799 Q800	R792-R796 WeakPolarHBondContact O-CG 3.47Å; R792-R796 PolarHBondContact O-N 3.27Å; D793-R796 WeakPolarHBondContact O-CB 3.37Å; D793-R796 PolarHBondContact O-N 2.93Å; D793-R796 IonicContact OD1-CZ 3.4Å; D793-R796 IonicContact OD1-NE 3.56Å; D793-R796 IonicContact OD1-NH2 2.58Å; D793-R796 PolarHBondContact OD1-NH2 3.27Å; M794-R796 PolarHBondContact O-N 3.17Å; R796-T799 WeakPolarHBondContact O-CB 3.48Å; R796-T799 PolarHBondContact O-N 3.46Å; R796-Q800 WeakPolarHBondContact O-CG 3.3Å; R796-Q800 PolarHBondContact O-N 3.04Å
797	A	96.2	Very high	94.9	Very high	42 Å²	42	50 Å²	50	35%	0.347	27%	0.269	S	S	.	.	H	α-helix	trans	-58.9	-48.7	178.6	0	0	0	0	0	111.5	D793 M794 T799 Q800 E801	D793-A797 PolarHBondContact O-N 3.21Å; M794-A797 PolarHBondContact O-N 2.94Å; A797-T799 VanDerWaalsContact C-N 3.27Å; A797-T799 PolarHBondContact O-N 3.4Å; A797-Q800 WeakPolarHBondContact O-CB 3.43Å; A797-Q800 PolarHBondContact O-N 2.82Å; A797-Q800 VanDerWaalsContact O-N 3.13Å; A797-E801 PolarHBondContact O-N 3.22Å
798	L	96.3	Very high	94.7	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-34.5	177.1	-71.6	172.7	0	0	0	112.5	M794 E801 V802 L830 A833 V834 M837 V839 L847	M794-L798 WeakPolarHBondContact O-CB 3.47Å; M794-L798 WeakPolarHBondContact O-CG 3.27Å; M794-L798 PolarHBondContact O-N 3.39Å; L798-E801 PolarHBondContact O-N 2.87Å; L798-V802 WeakPolarHBondContact O-CB 3.07Å; L798-V802 VanDerWaalsContact O-CG2 3.26Å; L798-V802 WeakPolarHBondContact O-CG2 3.49Å; L798-V802 PolarHBondContact O-N 3.2Å; L798-L830 HydrophobicContact CD2-CD2 4.47Å; L798-A833 HydrophobicContact CD2-CB 3.97Å; L798-V834 HydrophobicContact CB-CG2 4.47Å; L798-V834 HydrophobicContact CD1-CG2 4Å; L798-V834 HydrophobicContact CD2-CG2 4.5Å; L798-M837 HydrophobicContact CD1-SD 4.09Å; L798-M837 HydrophobicContact CD2-SD 4.49Å; L798-V839 HydrophobicContact CD1-CG1 3.99Å; L798-L847 HydrophobicContact CB-CD1 4.02Å
799	T	96.3	Very high	94.1	Very high	30 Å²	30	51.4 Å²	51.4	18%	0.184	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-45.4	174.7	-57.6	0	0	0	0	111	G795 R796 A797 E801 V802 D803 Q843 L847	G795-T799 WeakPolarHBondContact O-CB 3.29Å; G795-T799 PolarHBondContact O-N 3.38Å; G795-T799 PolarHBondContact O-OG1 3.06Å; R796-T799 WeakPolarHBondContact O-CB 3.48Å; R796-T799 PolarHBondContact O-N 3.46Å; A797-T799 VanDerWaalsContact C-N 3.27Å; A797-T799 PolarHBondContact O-N 3.4Å; T799-E801 VanDerWaalsContact C-N 3.33Å; T799-E801 PolarHBondContact O-N 3.37Å; T799-V802 PolarHBondContact O-N 3.44Å; T799-D803 WeakPolarHBondContact O-CB 3.01Å; T799-D803 PolarHBondContact O-N 3.07Å; T799-Q843 PolarHBondContact OG1-NE2 2.84Å; T799-L847 HydrophobicContact CG2-CD2 4.46Å
800	Q	96.4	Very high	93.4	Very high	135 Å²	135	54.2 Å²	54.2	63%	0.631	29%	0.29	S	S	*	.	H	α-helix	trans	-62	-39.9	176.7	-69.3	171.9	-10.1	0	0	112	R796 A797 D803 S804	R796-Q800 WeakPolarHBondContact O-CG 3.3Å; R796-Q800 PolarHBondContact O-N 3.04Å; A797-Q800 WeakPolarHBondContact O-CB 3.43Å; A797-Q800 PolarHBondContact O-N 2.82Å; A797-Q800 VanDerWaalsContact O-N 3.13Å; Q800-D803 PolarHBondContact O-N 3.17Å; Q800-S804 VanDerWaalsContact O-CB 3.23Å; Q800-S804 WeakPolarHBondContact O-CB 3.33Å; Q800-S804 PolarHBondContact O-N 2.65Å
801	E	95.8	Very high	92.4	Very high	99 Å²	99	52.7 Å²	52.7	46%	0.463	30%	0.301	S	S	.	.	H	α-helix	trans	-65.2	-43.1	175.9	-70.9	-178.5	-175	0	0	112	A797 L798 T799 S804 L805 L830	A797-E801 PolarHBondContact O-N 3.22Å; L798-E801 PolarHBondContact O-N 2.87Å; T799-E801 VanDerWaalsContact C-N 3.33Å; T799-E801 PolarHBondContact O-N 3.37Å; E801-S804 PolarHBondContact O-N 3.19Å; E801-L805 WeakPolarHBondContact O-CB 3.36Å; E801-L805 PolarHBondContact O-N 3.14Å; E801-L830 HydrophobicContact CB-CD1 4.45Å; E801-L830 HydrophobicContact CB-CD2 3.8Å; E801-L830 WeakPolarHBondContact OE2-CD2 3.43Å
802	V	94.9	Very high	90.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66.6	-39	176.1	173.6	0	0	0	0	111.7	L798 T799 S806 L830 L847 R850 L851	L798-V802 WeakPolarHBondContact O-CB 3.07Å; L798-V802 VanDerWaalsContact O-CG2 3.26Å; L798-V802 WeakPolarHBondContact O-CG2 3.49Å; L798-V802 PolarHBondContact O-N 3.2Å; T799-V802 PolarHBondContact O-N 3.44Å; V802-S806 WeakPolarHBondContact O-CB 3.42Å; V802-S806 PolarHBondContact O-N 2.93Å; V802-S806 PolarHBondContact O-OG 2.82Å; V802-L830 HydrophobicContact CG2-CD1 4.23Å; V802-L847 HydrophobicContact CB-CD2 4.19Å; V802-L847 HydrophobicContact CG1-CD2 4.37Å; V802-L847 HydrophobicContact CG2-CD2 4.15Å; V802-R850 HydrophobicContact CG1-CB 4.46Å; V802-L851 HydrophobicContact CG1-CD2 4.45Å; V802-L851 HydrophobicContact CG1-CG 4.38Å; V802-L851 HydrophobicContact CG2-CD1 3.98Å; V802-L851 HydrophobicContact CG2-CD2 3.97Å; V802-L851 HydrophobicContact CG2-CG 3.95Å
803	D	93.6	Very high	89.2	Confident	71 Å²	71	58.2 Å²	58.2	38%	0.38	34%	0.344	S	S	.	.	H	α-helix	trans	-64	-46.4	174.8	-69	-14.1	0	0	0	110.8	T799 Q800 S806 A807 R850	T799-D803 WeakPolarHBondContact O-CB 3.01Å; T799-D803 PolarHBondContact O-N 3.07Å; Q800-D803 PolarHBondContact O-N 3.17Å; D803-S806 WeakPolarHBondContact O-CB 3.5Å; D803-S806 PolarHBondContact O-N 3.38Å; D803-A807 WeakPolarHBondContact O-CB 3.49Å; D803-A807 PolarHBondContact O-N 3.14Å; D803-R850 IonicContact OD1-CZ 3.17Å; D803-R850 IonicContact OD1-NH1 2.85Å; D803-R850 PolarHBondContact OD1-NH1 3Å; D803-R850 IonicContact OD1-NH2 2.61Å; D803-R850 PolarHBondContact OD1-NH2 2.73Å
804	S	93.5	Very high	87.3	Confident	57 Å²	57	60.6 Å²	60.6	40%	0.399	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-46.4	176.4	177.7	0	0	0	0	111.9	Q800 E801 S806 A807 R808	Q800-S804 VanDerWaalsContact O-CB 3.23Å; Q800-S804 WeakPolarHBondContact O-CB 3.33Å; Q800-S804 PolarHBondContact O-N 2.65Å; E801-S804 PolarHBondContact O-N 3.19Å; S804-S806 VanDerWaalsContact C-N 3.32Å; S804-S806 PolarHBondContact O-N 2.87Å; S804-A807 PolarHBondContact O-N 2.8Å; S804-R808 WeakPolarHBondContact O-CB 3.4Å; S804-R808 WeakPolarHBondContact O-CG 3.46Å; S804-R808 PolarHBondContact O-N 2.99Å
805	L	91.9	Very high	86	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-59.2	-44.7	174.4	175.7	64.4	0	0	0	111.1	E801 R808 L809 F823 E826 A827 L830 L851 T854	E801-L805 WeakPolarHBondContact O-CB 3.36Å; E801-L805 PolarHBondContact O-N 3.14Å; L805-R808 PolarHBondContact O-N 3.26Å; L805-L809 VanDerWaalsContact O-CB 3.28Å; L805-L809 WeakPolarHBondContact O-CB 3.28Å; L805-L809 PolarHBondContact O-N 3.29Å; L805-F823 HydrophobicContact CD1-CB 4.36Å; L805-F823 HydrophobicContact CD1-CD1 3.55Å; L805-F823 HydrophobicContact CD1-CE1 4.26Å; L805-F823 HydrophobicContact CD1-CG 4.35Å; L805-E826 HydrophobicContact CD1-CG 4.38Å; L805-A827 HydrophobicContact CD2-CB 3.77Å; L805-L830 HydrophobicContact CB-CD1 4.34Å; L805-L830 HydrophobicContact CD2-CD1 3.8Å; L805-L851 HydrophobicContact CD2-CD2 4.41Å; L805-T854 HydrophobicContact CD2-CG2 4.3Å
806	S	89.3	Confident	85.2	Confident	30 Å²	30	63.9 Å²	63.9	21%	0.21	38%	0.384	C	S	.	.	H	α-helix	trans	-65.3	-40.1	-180	-57.6	0	0	0	0	112.1	V802 D803 S804 L809 S810	V802-S806 WeakPolarHBondContact O-CB 3.42Å; V802-S806 PolarHBondContact O-N 2.93Å; V802-S806 PolarHBondContact O-OG 2.82Å; D803-S806 WeakPolarHBondContact O-CB 3.5Å; D803-S806 PolarHBondContact O-N 3.38Å; S804-S806 VanDerWaalsContact C-N 3.32Å; S804-S806 PolarHBondContact O-N 2.87Å; S806-L809 PolarHBondContact O-N 3.1Å; S806-S810 PolarHBondContact O-N 3.1Å; S806-S810 PolarHBondContact O-OG 3.24Å
807	A	89.3	Confident	84.5	Confident	64 Å²	64	58.6 Å²	58.6	53%	0.529	37%	0.365	S	S	.	.	H	α-helix	trans	-67.2	-46.8	176.4	0	0	0	0	0	111.6	D803 S804 L809 S810 G811	D803-A807 WeakPolarHBondContact O-CB 3.49Å; D803-A807 PolarHBondContact O-N 3.14Å; S804-A807 PolarHBondContact O-N 2.8Å; A807-L809 VanDerWaalsContact C-N 3.3Å; A807-L809 PolarHBondContact O-N 3.24Å; A807-S810 PolarHBondContact O-N 3.16Å; A807-S810 VanDerWaalsContact O-N 3.13Å; A807-G811 PolarHBondContact O-N 3.31Å
808	R	88.8	Confident	83.7	Confident	95 Å²	95	58.9 Å²	58.9	36%	0.358	37%	0.372	S	S	.	.	H	α-helix	trans	-59	-42.7	174.7	-76	164.8	57.7	-150.8	-8.5	111.2	S804 L805 S810 G811 S812 F823 E826	S804-R808 WeakPolarHBondContact O-CB 3.4Å; S804-R808 WeakPolarHBondContact O-CG 3.46Å; S804-R808 PolarHBondContact O-N 2.99Å; L805-R808 PolarHBondContact O-N 3.26Å; R808-S810 VanDerWaalsContact C-N 3.34Å; R808-S810 PolarHBondContact O-N 2.79Å; R808-G811 PolarHBondContact O-N 3.34Å; R808-S812 VanDerWaalsContact O-CB 3.23Å; R808-S812 WeakPolarHBondContact O-CB 3.49Å; R808-S812 PolarHBondContact O-N 3.13Å; R808-S812 PolarHBondContact O-OG 2.94Å; R808-F823 HydrophobicContact CB-CE1 3.94Å; R808-F823 HydrophobicContact CB-CZ 4.17Å; R808-E826 IonicContact CZ-OE1 2.7Å; R808-E826 IonicContact CZ-OE2 2.75Å; R808-E826 IonicContact NH1-OE1 3.7Å; R808-E826 PolarHBondContact NH1-OE1 3.34Å; R808-E826 IonicContact NH1-OE2 2.77Å; R808-E826 PolarHBondContact NH1-OE2 3.07Å; R808-E826 IonicContact NH2-OE1 3.76Å; R808-E826 IonicContact NH2-OE2 3.7Å; R808-E826 PolarHBondContact NH2-OE2 2.77Å
809	L	84.4	Confident	83.1	Confident	21 Å²	21	60 Å²	60	11%	0.11	38%	0.38	C	S	.	.	H	α-helix	trans	-60.6	-44.5	175.3	-165.7	76.2	0	0	0	111.1	L805 S806 A807 G811 F815 F823 T854 I858	L805-L809 VanDerWaalsContact O-CB 3.28Å; L805-L809 WeakPolarHBondContact O-CB 3.28Å; L805-L809 PolarHBondContact O-N 3.29Å; S806-L809 PolarHBondContact O-N 3.1Å; A807-L809 VanDerWaalsContact C-N 3.3Å; A807-L809 PolarHBondContact O-N 3.24Å; L809-G811 PolarHBondContact O-N 2.92Å; L809-F815 HydrophobicContact CD1-CE1 3.53Å; L809-F815 HydrophobicContact CD1-CZ 3.73Å; L809-F815 HydrophobicContact CG-CE1 4.21Å; L809-F815 HydrophobicContact CG-CZ 3.9Å; L809-F815 WeakPolarHBondContact O-CZ 3.5Å; L809-F823 HydrophobicContact CD1-CB 4.29Å; L809-F823 HydrophobicContact CD1-CD2 3.89Å; L809-F823 HydrophobicContact CD1-CE2 4.42Å; L809-F823 HydrophobicContact CD1-CG 4.14Å; L809-T854 HydrophobicContact CD2-CG2 4.08Å; L809-I858 HydrophobicContact CD1-CD1 4.1Å; L809-I858 HydrophobicContact CD1-CG1 3.67Å; L809-I858 HydrophobicContact CD2-CD1 4.4Å; L809-I858 HydrophobicContact CD2-CG1 3.96Å
810	S	82.1	Confident	82.6	Confident	105 Å²	105	58.6 Å²	58.6	73%	0.734	37%	0.372	S	S	*	.	H	α-helix	trans	-68.7	-33.6	-179.5	-54.8	0	0	0	0	113	S806 A807 R808	S806-S810 PolarHBondContact O-N 3.1Å; S806-S810 PolarHBondContact O-OG 3.24Å; A807-S810 PolarHBondContact O-N 3.16Å; A807-S810 VanDerWaalsContact O-N 3.13Å; R808-S810 VanDerWaalsContact C-N 3.34Å; R808-S810 PolarHBondContact O-N 2.79Å
811	G	74.9	Confident	82	Confident	64 Å²	64	56.3 Å²	56.3	66%	0.66	36%	0.363	S	S	*	.	H	α-helix	trans	-84.5	-17.7	179.9	0	0	0	0	0	115.6	A807 R808 L809 S813	A807-G811 PolarHBondContact O-N 3.31Å; R808-G811 PolarHBondContact O-N 3.34Å; L809-G811 PolarHBondContact O-N 2.92Å; G811-S813 VanDerWaalsContact C-N 3.29Å; G811-S813 PolarHBondContact O-N 3.4Å
812	S	64.8	Low	81.6	Confident	43 Å²	43	57.7 Å²	57.7	30%	0.301	37%	0.37	S	S	.	.			trans	-85.7	52.8	-173.4	-60.2	0	0	0	0	113.7	R808 P814 F815	R808-S812 VanDerWaalsContact O-CB 3.23Å; R808-S812 WeakPolarHBondContact O-CB 3.49Å; R808-S812 PolarHBondContact O-N 3.13Å; R808-S812 PolarHBondContact O-OG 2.94Å; S812-P814 CarbonylContact O-C 3.42Å; S812-F815 WeakPolarHBondContact O-CG 3.49Å; S812-F815 PolarHBondContact O-N 3.09Å
813	S	60.8	Low	81.4	Confident	102 Å²	102	58.3 Å²	58.3	71%	0.713	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-103.2	127.2	171.4	-169.2	0	0	0	0	111	G811	G811-S813 VanDerWaalsContact C-N 3.29Å; G811-S813 PolarHBondContact O-N 3.4Å
814	P	55.7	Low	81.3	Confident	126 Å²	126	56.8 Å²	56.8	82%	0.818	37%	0.367	S	S	*	.	S	Bend	cis	-84.3	138.9	6.1	26.7	-23	0	0	0	113.9	S812 S816	S812-P814 CarbonylContact O-C 3.42Å; P814-S816 PolarHBondContact O-N 2.92Å
815	F	68.6	Low	81.2	Confident	60 Å²	60	62.2 Å²	62.2	26%	0.263	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-69.2	124.6	175.5	-76.8	-84	0	0	0	112.1	L809 S812 F823 L865	L809-F815 HydrophobicContact CD1-CE1 3.53Å; L809-F815 HydrophobicContact CD1-CZ 3.73Å; L809-F815 HydrophobicContact CG-CE1 4.21Å; L809-F815 HydrophobicContact CG-CZ 3.9Å; L809-F815 WeakPolarHBondContact O-CZ 3.5Å; S812-F815 WeakPolarHBondContact O-CG 3.49Å; S812-F815 PolarHBondContact O-N 3.09Å; F815-F823 HydrophobicContact CE1-CD2 4.23Å; F815-F823 HydrophobicContact CE1-CE2 4.16Å; F815-L865 HydrophobicContact CB-CD1 3.83Å; F815-L865 WeakPolarHBondContact O-CD2 3.41Å
816	S	80	Confident	81.3	Confident	67 Å²	67	65 Å²	65	47%	0.469	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-83.8	152.5	162.4	73.9	0	0	0	0	110.5	P814 G818 S819 A820	P814-S816 PolarHBondContact O-N 2.92Å; S816-G818 PolarHBondContact O-N 3.4Å; S816-S819 PolarHBondContact N-OG 2.83Å; S816-S819 VanDerWaalsContact N-OG 3.16Å; S816-S819 PolarHBondContact O-N 3.02Å; S816-S819 PolarHBondContact O-OG 2.88Å; S816-S819 WeakPolarHBondContact OG-CB 3.4Å; S816-S819 PolarHBondContact OG-N 3.39Å; S816-S819 VanDerWaalsContact OG-N 3.15Å; S816-S819 PolarHBondContact OG-OG 3.24Å; S816-A820 PolarHBondContact O-N 3.13Å; S816-A820 VanDerWaalsContact O-N 3.09Å
817	L	80.3	Confident	81.5	Confident	13 Å²	13	63.5 Å²	63.5	7%	0.068	39%	0.387	C	S	.	.	H	α-helix	trans	-59	-38.1	176.8	-178.6	62	0	0	0	111.9	A820 L821 I862 L865 E866 V898	L817-A820 PolarHBondContact O-N 3.2Å; L817-L821 HydrophobicContact CG-CD1 4.2Å; L817-L821 WeakPolarHBondContact O-CG 3.45Å; L817-L821 PolarHBondContact O-N 2.84Å; L817-I862 HydrophobicContact CD1-CG2 4Å; L817-L865 HydrophobicContact CD1-CB 4.27Å; L817-E866 HydrophobicContact CD1-CG 3.68Å; L817-E866 HydrophobicContact CD2-CG 4.05Å; L817-V898 HydrophobicContact CD2-CG2 4Å
818	G	80.1	Confident	81.6	Confident	47 Å²	47	61.6 Å²	61.6	49%	0.485	37%	0.373	S	S	.	.	H	α-helix	trans	-63.3	-46.1	177.5	0	0	0	0	0	113.1	S816 A820 L821 Q822	S816-G818 PolarHBondContact O-N 3.4Å; G818-A820 PolarHBondContact O-N 3.29Å; G818-L821 PolarHBondContact O-N 3.17Å; G818-Q822 PolarHBondContact O-N 3.46Å
819	S	83.6	Confident	81.9	Confident	29 Å²	29	59.9 Å²	59.9	20%	0.203	38%	0.379	C	S	.	.	H	α-helix	trans	-63.8	-39.8	176.7	57.5	0	0	0	0	112.2	S816 L821 Q822 F823	S816-S819 PolarHBondContact N-OG 2.83Å; S816-S819 VanDerWaalsContact N-OG 3.16Å; S816-S819 PolarHBondContact O-N 3.02Å; S816-S819 PolarHBondContact O-OG 2.88Å; S816-S819 WeakPolarHBondContact OG-CB 3.4Å; S816-S819 PolarHBondContact OG-N 3.39Å; S816-S819 VanDerWaalsContact OG-N 3.15Å; S816-S819 PolarHBondContact OG-OG 3.24Å; S819-L821 PolarHBondContact O-N 2.91Å; S819-Q822 PolarHBondContact O-N 3.17Å; S819-F823 WeakPolarHBondContact O-CD2 3.44Å; S819-F823 WeakPolarHBondContact O-CG 3.24Å; S819-F823 PolarHBondContact O-N 3.33Å
820	A	85.3	Confident	82.4	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.008	38%	0.376	C	S	.	.	H	α-helix	trans	-63.8	-39.7	176.1	0	0	0	0	0	112.8	S816 L817 G818 F823 S824 I858 I862 L865	S816-A820 PolarHBondContact O-N 3.13Å; S816-A820 VanDerWaalsContact O-N 3.09Å; L817-A820 PolarHBondContact O-N 3.2Å; G818-A820 PolarHBondContact O-N 3.29Å; A820-F823 PolarHBondContact O-N 3.03Å; A820-S824 PolarHBondContact O-N 3.37Å; A820-I858 VanDerWaalsContact O-CG2 3.31Å; A820-I858 WeakPolarHBondContact O-CG2 3.05Å; A820-I862 HydrophobicContact CB-CD1 4.44Å; A820-I862 HydrophobicContact CB-CG1 3.66Å; A820-L865 HydrophobicContact CB-CD1 4.27Å
821	L	85.1	Confident	83	Confident	87 Å²	87	55.4 Å²	55.4	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-65.7	-39.2	174.3	-73.2	167.8	0	0	0	112	L817 G818 S819 S824 K825 I862	L817-L821 HydrophobicContact CG-CD1 4.2Å; L817-L821 WeakPolarHBondContact O-CG 3.45Å; L817-L821 PolarHBondContact O-N 2.84Å; G818-L821 PolarHBondContact O-N 3.17Å; S819-L821 PolarHBondContact O-N 2.91Å; L821-S824 WeakPolarHBondContact O-CB 3.37Å; L821-S824 PolarHBondContact O-N 2.95Å; L821-K825 PolarHBondContact O-N 2.95Å; L821-K825 VanDerWaalsContact O-N 3.07Å; L821-I862 HydrophobicContact CD2-CD1 4.03Å
822	Q	87.6	Confident	83.8	Confident	128 Å²	128	57 Å²	57	60%	0.598	34%	0.342	S	S	*	.	H	α-helix	trans	-63.1	-47.6	175.2	-176	176.1	-0.3	0	0	111.6	G818 S819 S824 K825 E826	G818-Q822 PolarHBondContact O-N 3.46Å; S819-Q822 PolarHBondContact O-N 3.17Å; Q822-S824 VanDerWaalsContact C-N 3.25Å; Q822-S824 PolarHBondContact O-N 2.77Å; Q822-K825 PolarHBondContact O-N 2.87Å; Q822-K825 VanDerWaalsContact O-N 3.09Å; Q822-E826 PolarHBondContact O-N 2.91Å
823	F	90.6	Very high	85.2	Confident	13 Å²	13	56.1 Å²	56.1	6%	0.057	34%	0.337	C	S	.	.	H	α-helix	trans	-59.8	-36	174.6	-70.3	-51.9	0	0	0	112.3	L805 R808 L809 F815 S819 A820 K825 E826 A827 I858	L805-F823 HydrophobicContact CD1-CB 4.36Å; L805-F823 HydrophobicContact CD1-CD1 3.55Å; L805-F823 HydrophobicContact CD1-CE1 4.26Å; L805-F823 HydrophobicContact CD1-CG 4.35Å; R808-F823 HydrophobicContact CB-CE1 3.94Å; R808-F823 HydrophobicContact CB-CZ 4.17Å; L809-F823 HydrophobicContact CD1-CB 4.29Å; L809-F823 HydrophobicContact CD1-CD2 3.89Å; L809-F823 HydrophobicContact CD1-CE2 4.42Å; L809-F823 HydrophobicContact CD1-CG 4.14Å; F815-F823 HydrophobicContact CE1-CD2 4.23Å; F815-F823 HydrophobicContact CE1-CE2 4.16Å; S819-F823 WeakPolarHBondContact O-CD2 3.44Å; S819-F823 WeakPolarHBondContact O-CG 3.24Å; S819-F823 PolarHBondContact O-N 3.33Å; A820-F823 PolarHBondContact O-N 3.03Å; F823-K825 VanDerWaalsContact C-N 3.35Å; F823-E826 PolarHBondContact O-N 3.4Å; F823-A827 VanDerWaalsContact O-CB 3.23Å; F823-A827 WeakPolarHBondContact O-CB 3.47Å; F823-A827 PolarHBondContact O-N 3.06Å; F823-I858 HydrophobicContact CB-CD1 3.91Å
824	S	90.5	Very high	86.8	Confident	39 Å²	39	51.2 Å²	51.2	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-63.9	-39.3	174.9	-169.4	0	0	0	0	112.4	A820 L821 Q822 G828	A820-S824 PolarHBondContact O-N 3.37Å; L821-S824 WeakPolarHBondContact O-CB 3.37Å; L821-S824 PolarHBondContact O-N 2.95Å; Q822-S824 VanDerWaalsContact C-N 3.25Å; Q822-S824 PolarHBondContact O-N 2.77Å; S824-G828 PolarHBondContact O-N 3.37Å
825	K	91.4	Very high	88.5	Confident	172 Å²	172	48.7 Å²	48.7	75%	0.748	28%	0.282	S	S	*	.	H	α-helix	trans	-68.6	-44.3	177.6	-173.3	-178.1	178.5	-175.1	0	111.2	L821 Q822 F823 G828 A829	L821-K825 PolarHBondContact O-N 2.95Å; L821-K825 VanDerWaalsContact O-N 3.07Å; Q822-K825 PolarHBondContact O-N 2.87Å; Q822-K825 VanDerWaalsContact O-N 3.09Å; F823-K825 VanDerWaalsContact C-N 3.35Å; K825-G828 PolarHBondContact O-N 2.62Å; K825-A829 PolarHBondContact O-N 2.74Å
826	E	93.9	Very high	89.5	Confident	58 Å²	58	52.2 Å²	52.2	27%	0.271	30%	0.304	S	S	.	.	H	α-helix	trans	-61.6	-47.6	176.6	-170.7	174.1	175.2	0	0	111.3	L805 R808 Q822 F823 G828 A829 L830	L805-E826 HydrophobicContact CD1-CG 4.38Å; R808-E826 IonicContact CZ-OE1 2.7Å; R808-E826 IonicContact CZ-OE2 2.75Å; R808-E826 IonicContact NH1-OE1 3.7Å; R808-E826 PolarHBondContact NH1-OE1 3.34Å; R808-E826 IonicContact NH1-OE2 2.77Å; R808-E826 PolarHBondContact NH1-OE2 3.07Å; R808-E826 IonicContact NH2-OE1 3.76Å; R808-E826 IonicContact NH2-OE2 3.7Å; R808-E826 PolarHBondContact NH2-OE2 2.77Å; Q822-E826 PolarHBondContact O-N 2.91Å; F823-E826 PolarHBondContact O-N 3.4Å; E826-G828 VanDerWaalsContact C-N 3.28Å; E826-G828 PolarHBondContact O-N 2.58Å; E826-A829 PolarHBondContact O-N 2.79Å; E826-L830 WeakPolarHBondContact O-CG 3.49Å; E826-L830 PolarHBondContact O-N 3.37Å
827	A	93.3	Very high	90.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-35.9	175.2	0	0	0	0	0	113	L805 F823 S831 L851 L855 I858	L805-A827 HydrophobicContact CD2-CB 3.77Å; F823-A827 VanDerWaalsContact O-CB 3.23Å; F823-A827 WeakPolarHBondContact O-CB 3.47Å; F823-A827 PolarHBondContact O-N 3.06Å; A827-S831 WeakPolarHBondContact O-CB 3.49Å; A827-S831 PolarHBondContact O-N 2.9Å; A827-L851 HydrophobicContact CB-CD2 4.5Å; A827-L855 HydrophobicContact CB-CD2 3.54Å; A827-L855 HydrophobicContact CB-CG 3.9Å; A827-I858 HydrophobicContact CB-CD1 4.28Å
828	G	92.4	Very high	90.5	Very high	23 Å²	23	54.8 Å²	54.8	24%	0.237	32%	0.315	C	S	.	.	H	α-helix	trans	-64	-49.3	173.6	0	0	0	0	0	112	S824 K825 E826 L830 S831 D832	S824-G828 PolarHBondContact O-N 3.37Å; K825-G828 PolarHBondContact O-N 2.62Å; E826-G828 VanDerWaalsContact C-N 3.28Å; E826-G828 PolarHBondContact O-N 2.58Å; G828-L830 VanDerWaalsContact C-N 3.32Å; G828-L830 PolarHBondContact O-N 3.22Å; G828-S831 WeakPolarHBondContact O-CB 3.4Å; G828-S831 PolarHBondContact O-N 3.24Å; G828-S831 VanDerWaalsContact O-N 3.08Å; G828-D832 PolarHBondContact O-N 3.37Å
829	A	94.3	Very high	91.3	Very high	59 Å²	59	52.6 Å²	52.6	49%	0.488	29%	0.292	S	S	.	.	H	α-helix	trans	-60.5	-40.4	177.3	0	0	0	0	0	112.5	K825 E826 S831 D832 A833	K825-A829 PolarHBondContact O-N 2.74Å; E826-A829 PolarHBondContact O-N 2.79Å; A829-S831 VanDerWaalsContact C-N 3.35Å; A829-D832 PolarHBondContact O-N 3.34Å; A829-A833 WeakPolarHBondContact O-CB 3.48Å; A829-A833 PolarHBondContact O-N 3Å
830	L	95.2	Very high	92	Very high	11 Å²	11	51.3 Å²	51.3	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-38.4	173.9	-70	176.5	0	0	0	112.2	L798 E801 V802 L805 E826 G828 D832 A833 V834 L851	L798-L830 HydrophobicContact CD2-CD2 4.47Å; E801-L830 HydrophobicContact CB-CD1 4.45Å; E801-L830 HydrophobicContact CB-CD2 3.8Å; E801-L830 WeakPolarHBondContact OE2-CD2 3.43Å; V802-L830 HydrophobicContact CG2-CD1 4.23Å; L805-L830 HydrophobicContact CB-CD1 4.34Å; L805-L830 HydrophobicContact CD2-CD1 3.8Å; E826-L830 WeakPolarHBondContact O-CG 3.49Å; E826-L830 PolarHBondContact O-N 3.37Å; G828-L830 VanDerWaalsContact C-N 3.32Å; G828-L830 PolarHBondContact O-N 3.22Å; L830-D832 VanDerWaalsContact C-N 3.34Å; L830-A833 PolarHBondContact O-N 3.09Å; L830-V834 WeakPolarHBondContact O-CB 3.5Å; L830-V834 VanDerWaalsContact O-CG2 3.25Å; L830-V834 WeakPolarHBondContact O-CG2 3.29Å; L830-V834 PolarHBondContact O-N 3.29Å; L830-L851 HydrophobicContact CB-CD1 4.09Å; L830-L851 HydrophobicContact CB-CD2 3.97Å; L830-L851 HydrophobicContact CD1-CD2 4.38Å
831	S	94.5	Very high	92.6	Very high	21 Å²	21	52 Å²	52	15%	0.147	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-45.1	175	-167.4	0	0	0	0	111.1	A827 G828 A829 A833 V834 D835	A827-S831 WeakPolarHBondContact O-CB 3.49Å; A827-S831 PolarHBondContact O-N 2.9Å; G828-S831 WeakPolarHBondContact O-CB 3.4Å; G828-S831 PolarHBondContact O-N 3.24Å; G828-S831 VanDerWaalsContact O-N 3.08Å; A829-S831 VanDerWaalsContact C-N 3.35Å; S831-A833 VanDerWaalsContact C-N 3.34Å; S831-A833 PolarHBondContact O-N 3.09Å; S831-V834 PolarHBondContact O-N 3.03Å; S831-D835 VanDerWaalsContact O-CG 3.31Å; S831-D835 PolarHBondContact O-N 2.95Å; S831-D835 VanDerWaalsContact O-N 3.1Å
832	D	92.7	Very high	93.1	Very high	99 Å²	99	49.7 Å²	49.7	53%	0.529	27%	0.271	S	S	.	.	H	α-helix	trans	-65.1	-38.6	177.8	-65.8	-22.6	0	0	0	111.5	G828 A829 L830 D835 N836	G828-D832 PolarHBondContact O-N 3.37Å; A829-D832 PolarHBondContact O-N 3.34Å; L830-D832 VanDerWaalsContact C-N 3.34Å; D832-D835 PolarHBondContact O-N 3.4Å; D832-N836 PolarHBondContact O-N 2.9Å; D832-N836 PolarHBondContact O-ND2 2.95Å
833	A	93.9	Very high	93.6	Very high	23 Å²	23	44.6 Å²	44.6	19%	0.19	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-46.6	175.9	0	0	0	0	0	111.9	L798 A829 L830 S831 D835 N836 M837	L798-A833 HydrophobicContact CD2-CB 3.97Å; A829-A833 WeakPolarHBondContact O-CB 3.48Å; A829-A833 PolarHBondContact O-N 3Å; L830-A833 PolarHBondContact O-N 3.09Å; S831-A833 VanDerWaalsContact C-N 3.34Å; S831-A833 PolarHBondContact O-N 3.09Å; A833-D835 VanDerWaalsContact C-N 3.25Å; A833-D835 PolarHBondContact O-N 2.69Å; A833-N836 PolarHBondContact O-N 3.42Å; A833-M837 HydrophobicContact CB-CE 4.45Å; A833-M837 HydrophobicContact CB-SD 4.4Å; A833-M837 VanDerWaalsContact O-CB 3.26Å; A833-M837 WeakPolarHBondContact O-CB 3.14Å; A833-M837 VanDerWaalsContact O-CG 3.32Å; A833-M837 WeakPolarHBondContact O-CG 3.44Å; A833-M837 PolarHBondContact O-N 2.73Å
834	V	94.4	Very high	93.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.9	-35.4	177.2	168.5	0	0	0	0	112	L798 L830 S831 R844 L847 Q848 L851	L798-V834 HydrophobicContact CB-CG2 4.47Å; L798-V834 HydrophobicContact CD1-CG2 4Å; L798-V834 HydrophobicContact CD2-CG2 4.5Å; L830-V834 WeakPolarHBondContact O-CB 3.5Å; L830-V834 VanDerWaalsContact O-CG2 3.25Å; L830-V834 WeakPolarHBondContact O-CG2 3.29Å; L830-V834 PolarHBondContact O-N 3.29Å; S831-V834 PolarHBondContact O-N 3.03Å; V834-R844 HydrophobicContact CG1-CG 3.72Å; V834-R844 PolarHBondContact O-NE 2.75Å; V834-L847 HydrophobicContact CG1-CB 4.05Å; V834-L847 HydrophobicContact CG2-CB 4.07Å; V834-L847 HydrophobicContact CG2-CD1 4.08Å; V834-Q848 HydrophobicContact CG1-CG 3.85Å; V834-L851 HydrophobicContact CG2-CD1 3.99Å
835	D	90.5	Very high	94.1	Very high	72 Å²	72	46 Å²	46	39%	0.385	25%	0.246	S	C	.	.	H	α-helix	trans	-73.3	-35.2	-179.3	-75	-5.7	0	0	0	112.9	S831 D832 A833 Q848	S831-D835 VanDerWaalsContact O-CG 3.31Å; S831-D835 PolarHBondContact O-N 2.95Å; S831-D835 VanDerWaalsContact O-N 3.1Å; D832-D835 PolarHBondContact O-N 3.4Å; A833-D835 VanDerWaalsContact C-N 3.25Å; A833-D835 PolarHBondContact O-N 2.69Å; D835-Q848 PolarHBondContact OD1-NE2 2.99Å
836	N	90.1	Very high	94.3	Very high	134 Å²	134	41.4 Å²	41.4	72%	0.717	23%	0.227	S	C	*	.	H	α-helix	trans	-102.3	-21.9	-170.7	-65.7	-57.8	0	0	0	114.4	D832 A833	D832-N836 PolarHBondContact O-N 2.9Å; D832-N836 PolarHBondContact O-ND2 2.95Å; A833-N836 PolarHBondContact O-N 3.42Å
837	M	92.1	Very high	94.4	Very high	72 Å²	72	38.8 Å²	38.8	36%	0.355	22%	0.215	S	C	.	.	S	Bend	trans	-81.3	143.9	180	-72.8	-175.3	174.7	0	0	112.4	M794 L798 A833 V839 R844	M794-M837 HydrophobicContact CE-CB 3.84Å; M794-M837 HydrophobicContact CE-CE 4.47Å; M794-M837 HydrophobicContact CE-CG 3.74Å; M794-M837 HydrophobicContact CE-SD 3.73Å; L798-M837 HydrophobicContact CD1-SD 4.09Å; L798-M837 HydrophobicContact CD2-SD 4.49Å; A833-M837 HydrophobicContact CB-CE 4.45Å; A833-M837 HydrophobicContact CB-SD 4.4Å; A833-M837 VanDerWaalsContact O-CB 3.26Å; A833-M837 WeakPolarHBondContact O-CB 3.14Å; A833-M837 VanDerWaalsContact O-CG 3.32Å; A833-M837 WeakPolarHBondContact O-CG 3.44Å; A833-M837 PolarHBondContact O-N 2.73Å; M837-V839 HydrophobicContact CB-CG1 4.3Å; M837-V839 PolarHBondContact O-N 2.96Å; M837-V839 VanDerWaalsContact O-N 3.1Å; M837-R844 PolarHBondContact O-NH2 2.99Å
838	P	90.3	Very high	94.5	Very high	63 Å²	63	40.6 Å²	40.6	41%	0.409	22%	0.224	S	C	.	.			trans	-70.8	103.7	171.6	29.9	-32.7	0	0	0	109.3	V768 A791 M794	V768-P838 HydrophobicContact CG1-CB 4.42Å; A791-P838 WeakPolarHBondContact CA-O 3.16Å; A791-P838 VanDerWaalsContact CB-O 3.28Å; A791-P838 WeakPolarHBondContact CB-O 3.09Å; M794-P838 HydrophobicContact CE-CG 4.22Å; M794-P838 HydrophobicContact SD-CG 3.97Å
839	V	96.9	Very high	94.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.			trans	-132.4	161.2	175.9	-62.5	0	0	0	0	109.6	M794 L798 M837 Q841 R844	M794-V839 HydrophobicContact CB-CG1 3.95Å; L798-V839 HydrophobicContact CD1-CG1 3.99Å; M837-V839 HydrophobicContact CB-CG1 4.3Å; M837-V839 PolarHBondContact O-N 2.96Å; M837-V839 VanDerWaalsContact O-N 3.1Å; V839-Q841 PolarHBondContact O-N 3.44Å; V839-R844 HydrophobicContact CG2-CB 3.83Å; V839-R844 HydrophobicContact CG2-CG 4.4Å
840	P	97.8	Very high	94.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.013	23%	0.232	C	C	.	.			trans	-52.3	128	173.7	-26.2	33.2	0	0	0	111.4	V766 A791 R792 W842 Q843 R844	V766-P840 HydrophobicContact CG1-CB 4.02Å; V766-P840 HydrophobicContact CG1-CG 3.85Å; A791-P840 VanDerWaalsContact O-CD 3.29Å; A791-P840 WeakPolarHBondContact O-CD 3.3Å; R792-P840 HydrophobicContact CG-CG 4.16Å; P840-W842 VanDerWaalsContact C-N 3.26Å; P840-W842 PolarHBondContact O-N 3.45Å; P840-Q843 HydrophobicContact CB-CB 4.11Å; P840-Q843 WeakPolarHBondContact O-CA 3.29Å; P840-Q843 WeakPolarHBondContact O-CB 3.44Å; P840-Q843 PolarHBondContact O-N 3.39Å; P840-R844 PolarHBondContact O-N 2.98Å
841	Q	97.1	Very high	94.6	Very high	15 Å²	15	44.8 Å²	44.8	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-33.3	-171.4	177.2	62.8	-0.5	0	0	112.9	L685 I767 E770 V839 Q843 R845	L685-Q841 HydrophobicContact CD1-CB 4.49Å; L685-Q841 HydrophobicContact CD1-CG 3.9Å; I767-Q841 HydrophobicContact CG2-CB 3.99Å; I767-Q841 WeakPolarHBondContact O-CB 3.46Å; I767-Q841 PolarHBondContact O-N 3.49Å; E770-Q841 HydrophobicContact CB-CG 4.12Å; V839-Q841 PolarHBondContact O-N 3.44Å; Q841-Q843 VanDerWaalsContact C-N 3.35Å; Q841-R845 WeakPolarHBondContact O-CG 3.47Å; Q841-R845 PolarHBondContact O-N 2.93Å
842	W	96.6	Very high	94.6	Very high	40 Å²	40	50.4 Å²	50.4	15%	0.152	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-43.8	173.9	65.6	-95.5	0	0	0	111	L685 Q686 P840 R845 E846	L685-W842 HydrophobicContact CB-CB 3.68Å; L685-W842 HydrophobicContact CD1-CB 4.47Å; Q686-W842 HydrophobicContact CB-CB 4.47Å; Q686-W842 HydrophobicContact CB-CD2 4.36Å; Q686-W842 HydrophobicContact CB-CG 4.28Å; Q686-W842 HydrophobicContact CG-CD2 4.26Å; Q686-W842 HydrophobicContact CG-CE3 4.41Å; P840-W842 VanDerWaalsContact C-N 3.26Å; P840-W842 PolarHBondContact O-N 3.45Å; W842-R845 PolarHBondContact O-N 3.42Å; W842-E846 WeakPolarHBondContact CZ3-OE2 3.46Å; W842-E846 PolarHBondContact O-N 2.98Å; W842-E846 VanDerWaalsContact O-N 3.15Å
843	Q	96.6	Very high	94.5	Very high	21 Å²	21	48.5 Å²	48.5	10%	0.098	25%	0.245	C	C	.	.	H	α-helix	trans	-69.2	-40.6	-179.2	-167.1	171.8	14	0	0	111.2	G795 T799 P840 Q841 R845 E846 L847	G795-Q843 PolarHBondContact O-NE2 3.47Å; T799-Q843 PolarHBondContact OG1-NE2 2.84Å; P840-Q843 HydrophobicContact CB-CB 4.11Å; P840-Q843 WeakPolarHBondContact O-CA 3.29Å; P840-Q843 WeakPolarHBondContact O-CB 3.44Å; P840-Q843 PolarHBondContact O-N 3.39Å; Q841-Q843 VanDerWaalsContact C-N 3.35Å; Q843-R845 VanDerWaalsContact C-N 3.29Å; Q843-R845 PolarHBondContact O-N 2.87Å; Q843-E846 PolarHBondContact O-N 3.43Å; Q843-L847 HydrophobicContact CG-CD1 4.14Å; Q843-L847 HydrophobicContact CG-CG 4.38Å; Q843-L847 WeakPolarHBondContact O-CB 3.49Å; Q843-L847 WeakPolarHBondContact O-CG 3.45Å; Q843-L847 PolarHBondContact O-N 2.79Å
844	R	96.3	Very high	94.3	Very high	29 Å²	29	48.2 Å²	48.2	11%	0.109	24%	0.241	C	C	.	.	H	α-helix	trans	-51.5	-49.9	171.6	-174.1	178.7	-71	135	-4.5	111.2	V768 V834 M837 V839 P840 E846 L847 Q848	V768-R844 PolarHBondContact O-NH1 3.19Å; V834-R844 HydrophobicContact CG1-CG 3.72Å; V834-R844 PolarHBondContact O-NE 2.75Å; M837-R844 PolarHBondContact O-NH2 2.99Å; V839-R844 HydrophobicContact CG2-CB 3.83Å; V839-R844 HydrophobicContact CG2-CG 4.4Å; P840-R844 PolarHBondContact O-N 2.98Å; R844-E846 PolarHBondContact O-N 3.42Å; R844-L847 PolarHBondContact O-N 3.42Å; R844-Q848 HydrophobicContact CG-CG 4.36Å; R844-Q848 WeakPolarHBondContact O-CB 3.28Å; R844-Q848 VanDerWaalsContact O-CG 3.28Å; R844-Q848 WeakPolarHBondContact O-CG 3.29Å; R844-Q848 PolarHBondContact O-N 3.48Å
845	R	95.3	Very high	94.2	Very high	52 Å²	52	50.4 Å²	50.4	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-42.4	-178.2	-74.8	-179.1	171.8	173.5	-0.9	112.2	L680 S682 E770 Q841 W842 Q843 V849	L680-R845 PolarHBondContact O-NH1 2.7Å; S682-R845 WeakPolarHBondContact OG-CB 3.43Å; E770-R845 IonicContact OE2-CZ 3.66Å; E770-R845 IonicContact OE2-NH1 3.04Å; E770-R845 IonicContact OE2-NH2 2.71Å; E770-R845 PolarHBondContact OE2-NH2 2.94Å; Q841-R845 WeakPolarHBondContact O-CG 3.47Å; Q841-R845 PolarHBondContact O-N 2.93Å; W842-R845 PolarHBondContact O-N 3.42Å; Q843-R845 VanDerWaalsContact C-N 3.29Å; Q843-R845 PolarHBondContact O-N 2.87Å; R845-V849 VanDerWaalsContact O-CG2 3.28Å; R845-V849 WeakPolarHBondContact O-CG2 3.26Å; R845-V849 PolarHBondContact O-N 3.45Å
846	E	95.6	Very high	94.2	Very high	75 Å²	75	55.8 Å²	55.8	35%	0.35	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-48.1	176.4	-71.8	-179.8	178.9	0	0	111.8	W842 Q843 R844 Q848 V849 R850	W842-E846 WeakPolarHBondContact CZ3-OE2 3.46Å; W842-E846 PolarHBondContact O-N 2.98Å; W842-E846 VanDerWaalsContact O-N 3.15Å; Q843-E846 PolarHBondContact O-N 3.43Å; R844-E846 PolarHBondContact O-N 3.42Å; E846-Q848 PolarHBondContact O-N 3.08Å; E846-V849 PolarHBondContact O-N 3.49Å; E846-R850 VanDerWaalsContact O-CG 3.28Å; E846-R850 WeakPolarHBondContact O-CG 3.46Å; E846-R850 PolarHBondContact O-N 2.98Å
847	L	96.2	Very high	94.1	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-42.2	178	-67.1	176.2	0	0	0	111.8	L798 T799 V802 V834 Q843 R844 V849 R850 L851	L798-L847 HydrophobicContact CB-CD1 4.02Å; T799-L847 HydrophobicContact CG2-CD2 4.46Å; V802-L847 HydrophobicContact CB-CD2 4.19Å; V802-L847 HydrophobicContact CG1-CD2 4.37Å; V802-L847 HydrophobicContact CG2-CD2 4.15Å; V834-L847 HydrophobicContact CG1-CB 4.05Å; V834-L847 HydrophobicContact CG2-CB 4.07Å; V834-L847 HydrophobicContact CG2-CD1 4.08Å; Q843-L847 HydrophobicContact CG-CD1 4.14Å; Q843-L847 HydrophobicContact CG-CG 4.38Å; Q843-L847 WeakPolarHBondContact O-CB 3.49Å; Q843-L847 WeakPolarHBondContact O-CG 3.45Å; Q843-L847 PolarHBondContact O-N 2.79Å; R844-L847 PolarHBondContact O-N 3.42Å; L847-V849 PolarHBondContact O-N 3.17Å; L847-R850 PolarHBondContact O-N 2.9Å; L847-L851 WeakPolarHBondContact O-CB 3.34Å; L847-L851 WeakPolarHBondContact O-CG 3.4Å; L847-L851 PolarHBondContact O-N 2.89Å
848	Q	95.2	Very high	94	Very high	38 Å²	38	49.5 Å²	49.5	18%	0.178	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-43.7	174.6	-77	175.3	-8.6	0	0	112.4	V834 D835 R844 E846 R850 R852	V834-Q848 HydrophobicContact CG1-CG 3.85Å; D835-Q848 PolarHBondContact OD1-NE2 2.99Å; R844-Q848 HydrophobicContact CG-CG 4.36Å; R844-Q848 WeakPolarHBondContact O-CB 3.28Å; R844-Q848 VanDerWaalsContact O-CG 3.28Å; R844-Q848 WeakPolarHBondContact O-CG 3.29Å; R844-Q848 PolarHBondContact O-N 3.48Å; E846-Q848 PolarHBondContact O-N 3.08Å; Q848-R850 VanDerWaalsContact C-N 3.34Å; Q848-R852 VanDerWaalsContact O-CB 3.3Å; Q848-R852 WeakPolarHBondContact O-CB 3.37Å; Q848-R852 WeakPolarHBondContact O-CG 3.36Å; Q848-R852 PolarHBondContact O-N 2.99Å
849	V	94.7	Very high	93.9	Very high	97 Å²	97	48.8 Å²	48.8	59%	0.588	24%	0.237	S	C	*	.	H	α-helix	trans	-62.2	-45.6	177.5	168.4	0	0	0	0	110.3	R845 E846 L847 R852 A853	R845-V849 VanDerWaalsContact O-CG2 3.28Å; R845-V849 WeakPolarHBondContact O-CG2 3.26Å; R845-V849 PolarHBondContact O-N 3.45Å; E846-V849 PolarHBondContact O-N 3.49Å; L847-V849 PolarHBondContact O-N 3.17Å; V849-R852 PolarHBondContact O-N 3Å; V849-A853 PolarHBondContact O-N 3.2Å; V849-A853 VanDerWaalsContact O-N 3.07Å
850	R	94.5	Very high	93.5	Very high	85 Å²	85	52.1 Å²	52.1	32%	0.321	26%	0.258	S	S	.	.	H	α-helix	trans	-62.2	-51.1	177.6	-68.6	174.9	63.7	-167.7	-4.4	111.8	V802 D803 E846 L847 Q848 R852 A853 T854	V802-R850 HydrophobicContact CG1-CB 4.46Å; D803-R850 IonicContact OD1-CZ 3.17Å; D803-R850 IonicContact OD1-NH1 2.85Å; D803-R850 PolarHBondContact OD1-NH1 3Å; D803-R850 IonicContact OD1-NH2 2.61Å; D803-R850 PolarHBondContact OD1-NH2 2.73Å; E846-R850 VanDerWaalsContact O-CG 3.28Å; E846-R850 WeakPolarHBondContact O-CG 3.46Å; E846-R850 PolarHBondContact O-N 2.98Å; L847-R850 PolarHBondContact O-N 2.9Å; Q848-R850 VanDerWaalsContact C-N 3.34Å; R850-R852 VanDerWaalsContact C-N 3.34Å; R850-R852 PolarHBondContact O-N 2.9Å; R850-A853 WeakPolarHBondContact O-CB 3.44Å; R850-A853 PolarHBondContact O-N 2.9Å; R850-A853 VanDerWaalsContact O-N 3.1Å; R850-T854 PolarHBondContact O-N 3.46Å; R850-T854 PolarHBondContact O-OG1 2.88Å; R850-T854 VanDerWaalsContact O-OG1 3.11Å
851	L	94.9	Very high	93	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-39.7	178.8	-79.6	167.5	0	0	0	112.4	V802 L805 A827 L830 V834 L847 A853 T854 L855	V802-L851 HydrophobicContact CG1-CD2 4.45Å; V802-L851 HydrophobicContact CG1-CG 4.38Å; V802-L851 HydrophobicContact CG2-CD1 3.98Å; V802-L851 HydrophobicContact CG2-CD2 3.97Å; V802-L851 HydrophobicContact CG2-CG 3.95Å; L805-L851 HydrophobicContact CD2-CD2 4.41Å; A827-L851 HydrophobicContact CB-CD2 4.5Å; L830-L851 HydrophobicContact CB-CD1 4.09Å; L830-L851 HydrophobicContact CB-CD2 3.97Å; L830-L851 HydrophobicContact CD1-CD2 4.38Å; V834-L851 HydrophobicContact CG2-CD1 3.99Å; L847-L851 WeakPolarHBondContact O-CB 3.34Å; L847-L851 WeakPolarHBondContact O-CG 3.4Å; L847-L851 PolarHBondContact O-N 2.89Å; L851-A853 VanDerWaalsContact C-N 3.34Å; L851-A853 PolarHBondContact O-N 3.43Å; L851-T854 PolarHBondContact O-N 3.47Å; L851-L855 WeakPolarHBondContact O-CB 3.45Å; L851-L855 WeakPolarHBondContact O-CG 3.37Å; L851-L855 PolarHBondContact O-N 3.49Å
852	R	94.2	Very high	92.6	Very high	139 Å²	139	53.3 Å²	53.3	53%	0.525	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-40.8	173.7	-75.7	173.4	-174.4	176.2	5.2	112	Q848 V849 R850 R856	Q848-R852 VanDerWaalsContact O-CB 3.3Å; Q848-R852 WeakPolarHBondContact O-CB 3.37Å; Q848-R852 WeakPolarHBondContact O-CG 3.36Å; Q848-R852 PolarHBondContact O-N 2.99Å; V849-R852 PolarHBondContact O-N 3Å; R850-R852 VanDerWaalsContact C-N 3.34Å; R850-R852 PolarHBondContact O-N 2.9Å; R852-R856 WeakPolarHBondContact O-CB 3.37Å; R852-R856 VanDerWaalsContact O-CG 3.24Å; R852-R856 WeakPolarHBondContact O-CG 3.45Å; R852-R856 PolarHBondContact O-N 2.86Å
853	A	91.9	Very high	92.1	Very high	58 Å²	58	59.2 Å²	59.2	48%	0.479	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-44.6	174.9	0	0	0	0	0	111.3	V849 R850 L851 R856 S857	V849-A853 PolarHBondContact O-N 3.2Å; V849-A853 VanDerWaalsContact O-N 3.07Å; R850-A853 WeakPolarHBondContact O-CB 3.44Å; R850-A853 PolarHBondContact O-N 2.9Å; R850-A853 VanDerWaalsContact O-N 3.1Å; L851-A853 VanDerWaalsContact C-N 3.34Å; L851-A853 PolarHBondContact O-N 3.43Å; A853-R856 PolarHBondContact O-N 2.65Å; A853-S857 PolarHBondContact O-N 3.41Å
854	T	90.4	Very high	91.7	Very high	17 Å²	17	65.6 Å²	65.6	10%	0.104	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-49.5	176	-61	0	0	0	0	111.8	L805 L809 R850 L851 R856 S857 I858	L805-T854 HydrophobicContact CD2-CG2 4.3Å; L809-T854 HydrophobicContact CD2-CG2 4.08Å; R850-T854 PolarHBondContact O-N 3.46Å; R850-T854 PolarHBondContact O-OG1 2.88Å; R850-T854 VanDerWaalsContact O-OG1 3.11Å; L851-T854 PolarHBondContact O-N 3.47Å; T854-R856 VanDerWaalsContact C-N 3.33Å; T854-R856 PolarHBondContact O-N 3.3Å; T854-S857 WeakPolarHBondContact O-CB 3.24Å; T854-S857 PolarHBondContact O-N 2.87Å; T854-S857 VanDerWaalsContact O-N 3.14Å; T854-I858 HydrophobicContact CG2-CD1 3.72Å; T854-I858 HydrophobicContact CG2-CG1 4.41Å; T854-I858 VanDerWaalsContact O-CG1 3.31Å; T854-I858 WeakPolarHBondContact O-CG1 3.35Å; T854-I858 PolarHBondContact O-N 3.03Å
855	L	91.3	Very high	91.3	Very high	47 Å²	47	65.9 Å²	65.9	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-40.5	176.3	-78.3	166.9	0	0	0	112.3	A827 L851 S859	A827-L855 HydrophobicContact CB-CD2 3.54Å; A827-L855 HydrophobicContact CB-CG 3.9Å; L851-L855 WeakPolarHBondContact O-CB 3.45Å; L851-L855 WeakPolarHBondContact O-CG 3.37Å; L851-L855 PolarHBondContact O-N 3.49Å; L855-S859 VanDerWaalsContact O-CB 3.28Å; L855-S859 WeakPolarHBondContact O-CB 3.26Å; L855-S859 PolarHBondContact O-N 3.49Å
856	R	90.8	Very high	91	Very high	185 Å²	185	64.3 Å²	64.3	70%	0.698	32%	0.316	S	S	*	.	H	α-helix	trans	-64	-42.7	174.6	-75.7	174.3	-175.4	-179.4	2	112	R852 A853 T854 S859 T860	R852-R856 WeakPolarHBondContact O-CB 3.37Å; R852-R856 VanDerWaalsContact O-CG 3.24Å; R852-R856 WeakPolarHBondContact O-CG 3.45Å; R852-R856 PolarHBondContact O-N 2.86Å; A853-R856 PolarHBondContact O-N 2.65Å; T854-R856 VanDerWaalsContact C-N 3.33Å; T854-R856 PolarHBondContact O-N 3.3Å; R856-S859 PolarHBondContact O-N 3.39Å; R856-T860 WeakPolarHBondContact O-CB 3.34Å; R856-T860 PolarHBondContact O-N 3.33Å; R856-T860 PolarHBondContact O-OG1 2.92Å
857	S	88.4	Confident	90.6	Very high	71 Å²	71	62.5 Å²	62.5	50%	0.497	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-49.7	177.1	-173	0	0	0	0	111.1	A853 T854 S859 T860 A861	A853-S857 PolarHBondContact O-N 3.41Å; T854-S857 WeakPolarHBondContact O-CB 3.24Å; T854-S857 PolarHBondContact O-N 2.87Å; T854-S857 VanDerWaalsContact O-N 3.14Å; S857-S859 PolarHBondContact O-N 3.16Å; S857-T860 WeakPolarHBondContact O-CB 3.44Å; S857-T860 PolarHBondContact O-N 3.18Å; S857-T860 VanDerWaalsContact O-N 3.16Å; S857-A861 PolarHBondContact O-N 3.46Å
858	I	88.6	Confident	90.3	Very high	3 Å²	3	70.5 Å²	70.5	2%	0.015	34%	0.344	C	S	.	.	H	α-helix	trans	-58.8	-46.7	176.7	-67	165.8	0	0	0	110.8	L809 A820 F823 A827 T854 T860 A861 I862	L809-I858 HydrophobicContact CD1-CD1 4.1Å; L809-I858 HydrophobicContact CD1-CG1 3.67Å; L809-I858 HydrophobicContact CD2-CD1 4.4Å; L809-I858 HydrophobicContact CD2-CG1 3.96Å; A820-I858 VanDerWaalsContact O-CG2 3.31Å; A820-I858 WeakPolarHBondContact O-CG2 3.05Å; F823-I858 HydrophobicContact CB-CD1 3.91Å; A827-I858 HydrophobicContact CB-CD1 4.28Å; T854-I858 HydrophobicContact CG2-CD1 3.72Å; T854-I858 HydrophobicContact CG2-CG1 4.41Å; T854-I858 VanDerWaalsContact O-CG1 3.31Å; T854-I858 WeakPolarHBondContact O-CG1 3.35Å; T854-I858 PolarHBondContact O-N 3.03Å; I858-T860 VanDerWaalsContact C-N 3.28Å; I858-T860 PolarHBondContact O-N 3.28Å; I858-A861 WeakPolarHBondContact O-CB 3.39Å; I858-A861 PolarHBondContact O-N 2.85Å; I858-A861 VanDerWaalsContact O-N 3.13Å; I858-I862 HydrophobicContact CG2-CD1 3.72Å; I858-I862 HydrophobicContact CG2-CG1 4.25Å; I858-I862 WeakPolarHBondContact O-CG1 3.39Å; I858-I862 PolarHBondContact O-N 3.35Å
859	S	89	Confident	90	Very high	47 Å²	47	71.3 Å²	71.3	33%	0.329	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-39	178.4	-168.4	0	0	0	0	112	L855 R856 S857 R863	L855-S859 VanDerWaalsContact O-CB 3.28Å; L855-S859 WeakPolarHBondContact O-CB 3.26Å; L855-S859 PolarHBondContact O-N 3.49Å; R856-S859 PolarHBondContact O-N 3.39Å; S857-S859 PolarHBondContact O-N 3.16Å; S859-R863 VanDerWaalsContact O-CG 3.28Å; S859-R863 WeakPolarHBondContact O-CG 3.42Å; S859-R863 PolarHBondContact O-N 2.88Å
860	T	88.6	Confident	89.7	Confident	71 Å²	71	66.7 Å²	66.7	44%	0.436	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-44	174.6	-58.7	0	0	0	0	111.5	R856 S857 I858 R863 K864	R856-T860 WeakPolarHBondContact O-CB 3.34Å; R856-T860 PolarHBondContact O-N 3.33Å; R856-T860 PolarHBondContact O-OG1 2.92Å; S857-T860 WeakPolarHBondContact O-CB 3.44Å; S857-T860 PolarHBondContact O-N 3.18Å; S857-T860 VanDerWaalsContact O-N 3.16Å; I858-T860 VanDerWaalsContact C-N 3.28Å; I858-T860 PolarHBondContact O-N 3.28Å; T860-R863 PolarHBondContact O-N 3.12Å; T860-K864 WeakPolarHBondContact O-CG 3.48Å; T860-K864 PolarHBondContact O-N 3.47Å; T860-K864 VanDerWaalsContact O-N 3.07Å
861	A	86.9	Confident	89.5	Confident	26 Å²	26	64.7 Å²	64.7	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-62.7	-46.1	176.8	0	0	0	0	0	111.8	S857 I858 R863 K864 L865	S857-A861 PolarHBondContact O-N 3.46Å; I858-A861 WeakPolarHBondContact O-CB 3.39Å; I858-A861 PolarHBondContact O-N 2.85Å; I858-A861 VanDerWaalsContact O-N 3.13Å; A861-R863 VanDerWaalsContact C-N 3.34Å; A861-R863 PolarHBondContact O-N 3.32Å; A861-K864 PolarHBondContact O-N 3.16Å; A861-L865 WeakPolarHBondContact O-CG 3.18Å; A861-L865 PolarHBondContact O-N 3.39Å
862	I	87.7	Confident	89.2	Confident	16 Å²	16	69.1 Å²	69.1	8%	0.082	34%	0.343	C	S	.	.	H	α-helix	trans	-54.5	-51	173.9	-70.7	168.2	0	0	0	109.8	L817 A820 L821 I858 K864 L865 E866	L817-I862 HydrophobicContact CD1-CG2 4Å; A820-I862 HydrophobicContact CB-CD1 4.44Å; A820-I862 HydrophobicContact CB-CG1 3.66Å; L821-I862 HydrophobicContact CD2-CD1 4.03Å; I858-I862 HydrophobicContact CG2-CD1 3.72Å; I858-I862 HydrophobicContact CG2-CG1 4.25Å; I858-I862 WeakPolarHBondContact O-CG1 3.39Å; I858-I862 PolarHBondContact O-N 3.35Å; I862-K864 VanDerWaalsContact C-N 3.3Å; I862-K864 PolarHBondContact O-N 3.22Å; I862-L865 PolarHBondContact O-N 2.79Å; I862-E866 HydrophobicContact CG2-CG 4.1Å; I862-E866 WeakPolarHBondContact O-CB 3.39Å; I862-E866 VanDerWaalsContact O-CG 3.25Å; I862-E866 WeakPolarHBondContact O-CG 3.11Å; I862-E866 PolarHBondContact O-N 3.43Å
863	R	87.4	Confident	89	Confident	164 Å²	164	65.4 Å²	65.4	62%	0.619	33%	0.329	S	S	*	.	H	α-helix	trans	-58.6	-41.1	-179.2	-73.6	173.7	-172	-167.8	1.7	112.6	S859 T860 A861 A867 K901	S859-R863 VanDerWaalsContact O-CG 3.28Å; S859-R863 WeakPolarHBondContact O-CG 3.42Å; S859-R863 PolarHBondContact O-N 2.88Å; T860-R863 PolarHBondContact O-N 3.12Å; A861-R863 VanDerWaalsContact C-N 3.34Å; A861-R863 PolarHBondContact O-N 3.32Å; R863-A867 WeakPolarHBondContact O-CB 3.33Å; R863-A867 PolarHBondContact O-N 2.91Å; R863-K901 PolarHBondContact O-NZ 2.79Å
864	K	87.9	Confident	88.8	Confident	154 Å²	154	62.9 Å²	62.9	67%	0.67	31%	0.307	S	S	*	.	H	α-helix	trans	-66.2	-47	176.9	-75.2	-177.6	177.9	-177	0	111.9	T860 A861 I862 A867 R868	T860-K864 WeakPolarHBondContact O-CG 3.48Å; T860-K864 PolarHBondContact O-N 3.47Å; T860-K864 VanDerWaalsContact O-N 3.07Å; A861-K864 PolarHBondContact O-N 3.16Å; I862-K864 VanDerWaalsContact C-N 3.3Å; I862-K864 PolarHBondContact O-N 3.22Å; K864-A867 PolarHBondContact O-N 2.98Å; K864-R868 WeakPolarHBondContact O-CB 3.48Å; K864-R868 PolarHBondContact O-N 2.7Å
865	L	87.3	Confident	88.7	Confident	36 Å²	36	64.2 Å²	64.2	19%	0.188	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-43.6	178.2	-71.8	170	0	0	0	111.7	F815 L817 A820 A861 I862 A867 R868 Q869	F815-L865 HydrophobicContact CB-CD1 3.83Å; F815-L865 WeakPolarHBondContact O-CD2 3.41Å; L817-L865 HydrophobicContact CD1-CB 4.27Å; A820-L865 HydrophobicContact CB-CD1 4.27Å; A861-L865 WeakPolarHBondContact O-CG 3.18Å; A861-L865 PolarHBondContact O-N 3.39Å; I862-L865 PolarHBondContact O-N 2.79Å; L865-A867 VanDerWaalsContact C-N 3.34Å; L865-A867 PolarHBondContact O-N 3.45Å; L865-R868 PolarHBondContact O-N 3.2Å; L865-Q869 WeakPolarHBondContact O-CB 3.28Å; L865-Q869 WeakPolarHBondContact O-CG 3.47Å; L865-Q869 PolarHBondContact O-N 2.88Å
866	E	89.5	Confident	88.5	Confident	18 Å²	18	67.4 Å²	67.4	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-41.1	175.3	-71.3	-178.2	149.6	0	0	112.1	L817 I862 A870 S895 S897 V898 K901	L817-E866 HydrophobicContact CD1-CG 3.68Å; L817-E866 HydrophobicContact CD2-CG 4.05Å; I862-E866 HydrophobicContact CG2-CG 4.1Å; I862-E866 WeakPolarHBondContact O-CB 3.39Å; I862-E866 VanDerWaalsContact O-CG 3.25Å; I862-E866 WeakPolarHBondContact O-CG 3.11Å; I862-E866 PolarHBondContact O-N 3.43Å; E866-A870 VanDerWaalsContact O-CB 3.22Å; E866-A870 WeakPolarHBondContact O-CB 3.29Å; E866-A870 PolarHBondContact O-N 2.97Å; E866-S895 PolarHBondContact OE1-OG 3.34Å; E866-S897 WeakPolarHBondContact OE1-CB 2.77Å; E866-S897 PolarHBondContact OE1-OG 2.99Å; E866-S897 PolarHBondContact OE2-OG 3.1Å; E866-V898 HydrophobicContact CB-CG2 3.8Å; E866-V898 HydrophobicContact CG-CG2 3.77Å; E866-K901 HydrophobicContact CB-CD 4.07Å; E866-K901 IonicContact OE2-NZ 3.74Å; E866-K901 PolarHBondContact OE2-NZ 3.4Å
867	A	88.1	Confident	88.4	Confident	38 Å²	38	59.3 Å²	59.3	31%	0.314	31%	0.307	S	S	.	.	H	α-helix	trans	-66.7	-38.3	177.4	0	0	0	0	0	112.1	R863 K864 L865 A871 Q905	R863-A867 WeakPolarHBondContact O-CB 3.33Å; R863-A867 PolarHBondContact O-N 2.91Å; K864-A867 PolarHBondContact O-N 2.98Å; L865-A867 VanDerWaalsContact C-N 3.34Å; L865-A867 PolarHBondContact O-N 3.45Å; A867-A871 WeakPolarHBondContact O-CB 3.4Å; A867-A871 PolarHBondContact O-N 3.34Å; A867-Q905 PolarHBondContact O-NE2 3.07Å
868	R	88.8	Confident	88.3	Confident	170 Å²	170	58.2 Å²	58.2	64%	0.642	30%	0.296	S	S	*	.	H	α-helix	trans	-66	-49	174.9	-177.7	179.1	175.5	165	4.4	111.6	K864 L865 A870 A871 E872	K864-R868 WeakPolarHBondContact O-CB 3.48Å; K864-R868 PolarHBondContact O-N 2.7Å; L865-R868 PolarHBondContact O-N 3.2Å; R868-A870 VanDerWaalsContact C-N 3.28Å; R868-A870 PolarHBondContact O-N 3.45Å; R868-A871 PolarHBondContact O-N 3.27Å; R868-A871 VanDerWaalsContact O-N 3.11Å; R868-E872 WeakPolarHBondContact CG-OE1 3.3Å; R868-E872 IonicContact CZ-OE1 3.95Å; R868-E872 IonicContact NE-OE1 3.06Å; R868-E872 PolarHBondContact NE-OE1 3.5Å; R868-E872 IonicContact NH2-OE1 3.96Å; R868-E872 WeakPolarHBondContact O-CG 3.2Å; R868-E872 PolarHBondContact O-N 2.93Å
869	Q	88.9	Confident	88.1	Confident	55 Å²	55	68.4 Å²	68.4	26%	0.257	33%	0.334	S	S	.	.	H	α-helix	trans	-60.9	-37.3	176.4	-81	-169.6	-4	0	0	112.6	L865 R873 V898	L865-Q869 WeakPolarHBondContact O-CB 3.28Å; L865-Q869 WeakPolarHBondContact O-CG 3.47Å; L865-Q869 PolarHBondContact O-N 2.88Å; Q869-R873 WeakPolarHBondContact O-CB 3.29Å; Q869-R873 WeakPolarHBondContact O-CD 3.32Å; Q869-R873 VanDerWaalsContact O-CG 3.26Å; Q869-R873 WeakPolarHBondContact O-CG 3.26Å; Q869-R873 PolarHBondContact O-N 2.81Å; Q869-R873 VanDerWaalsContact O-N 3.16Å; Q869-R873 PolarHBondContact O-NH1 3.46Å; Q869-V898 HydrophobicContact CB-CG1 4.12Å; Q869-V898 HydrophobicContact CB-CG2 4.43Å
870	A	89.1	Confident	87.8	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65.2	-43.8	173	0	0	0	0	0	111.4	E866 R868 E872 R873 A874 V898 K901 T902 Q905	E866-A870 VanDerWaalsContact O-CB 3.22Å; E866-A870 WeakPolarHBondContact O-CB 3.29Å; E866-A870 PolarHBondContact O-N 2.97Å; R868-A870 VanDerWaalsContact C-N 3.28Å; R868-A870 PolarHBondContact O-N 3.45Å; A870-E872 PolarHBondContact O-N 3.4Å; A870-R873 PolarHBondContact O-N 2.95Å; A870-A874 WeakPolarHBondContact O-CB 3.39Å; A870-A874 PolarHBondContact O-N 2.95Å; A870-V898 HydrophobicContact CB-CG1 4.34Å; A870-K901 HydrophobicContact CB-CB 3.62Å; A870-T902 WeakPolarHBondContact CA-OG1 3.18Å; A870-Q905 PolarHBondContact O-OE1 2.93Å
871	A	88.9	Confident	87.4	Confident	44 Å²	44	78 Å²	78	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-63.6	-43.7	-180	0	0	0	0	0	112.1	A867 R868 R873 A874 A875	A867-A871 WeakPolarHBondContact O-CB 3.4Å; A867-A871 PolarHBondContact O-N 3.34Å; R868-A871 PolarHBondContact O-N 3.27Å; R868-A871 VanDerWaalsContact O-N 3.11Å; A871-R873 VanDerWaalsContact C-N 3.33Å; A871-R873 PolarHBondContact O-N 3.08Å; A871-A874 PolarHBondContact O-N 2.87Å; A871-A875 VanDerWaalsContact O-CB 3.25Å; A871-A875 WeakPolarHBondContact O-CB 3.3Å; A871-A875 PolarHBondContact O-N 2.75Å
872	E	89.3	Confident	86.7	Confident	92 Å²	92	78.4 Å²	78.4	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-43.9	175.2	-71.5	167.6	-172.8	0	0	111	R868 A870 L876	R868-E872 WeakPolarHBondContact CG-OE1 3.3Å; R868-E872 IonicContact CZ-OE1 3.95Å; R868-E872 IonicContact NE-OE1 3.06Å; R868-E872 PolarHBondContact NE-OE1 3.5Å; R868-E872 IonicContact NH2-OE1 3.96Å; R868-E872 WeakPolarHBondContact O-CG 3.2Å; R868-E872 PolarHBondContact O-N 2.93Å; A870-E872 PolarHBondContact O-N 3.4Å; E872-L876 VanDerWaalsContact O-CG 3.3Å; E872-L876 WeakPolarHBondContact O-CG 3.36Å; E872-L876 PolarHBondContact O-N 3.48Å
873	R	90.3	Very high	86.1	Confident	62 Å²	62	84.6 Å²	84.6	23%	0.234	39%	0.391	C	S	.	.	H	α-helix	trans	-68.2	-45	177.8	-75.4	166.2	170.4	75.2	1.3	113	Q869 A870 A871 A875 L876 L877 V891 E892 T902	Q869-R873 WeakPolarHBondContact O-CB 3.29Å; Q869-R873 WeakPolarHBondContact O-CD 3.32Å; Q869-R873 VanDerWaalsContact O-CG 3.26Å; Q869-R873 WeakPolarHBondContact O-CG 3.26Å; Q869-R873 PolarHBondContact O-N 2.81Å; Q869-R873 VanDerWaalsContact O-N 3.16Å; Q869-R873 PolarHBondContact O-NH1 3.46Å; A870-R873 PolarHBondContact O-N 2.95Å; A871-R873 VanDerWaalsContact C-N 3.33Å; A871-R873 PolarHBondContact O-N 3.08Å; R873-A875 VanDerWaalsContact C-N 3.33Å; R873-A875 PolarHBondContact O-N 3.49Å; R873-L876 PolarHBondContact O-N 2.77Å; R873-L877 WeakPolarHBondContact O-CG 3.36Å; R873-L877 PolarHBondContact O-N 2.83Å; R873-V891 HydrophobicContact CB-CG1 4.27Å; R873-V891 HydrophobicContact CG-CG1 4.07Å; R873-E892 VanDerWaalsContact CZ-O 3.23Å; R873-E892 PolarHBondContact NE-O 3.22Å; R873-E892 PolarHBondContact NH2-O 3.34Å; R873-T902 HydrophobicContact CB-CG2 3.94Å
874	A	88.3	Confident	85.8	Confident	4 Å²	4	79.5 Å²	79.5	3%	0.033	38%	0.378	C	S	.	.	H	α-helix	trans	-61.4	-43.7	177.2	0	0	0	0	0	110.6	A870 A871 L876 L877 L878 T902 Q905 L906	A870-A874 WeakPolarHBondContact O-CB 3.39Å; A870-A874 PolarHBondContact O-N 2.95Å; A871-A874 PolarHBondContact O-N 2.87Å; A874-L876 PolarHBondContact O-N 3.37Å; A874-L877 PolarHBondContact O-N 3.1Å; A874-L878 WeakPolarHBondContact O-CB 3.22Å; A874-L878 VanDerWaalsContact O-CG 3.31Å; A874-L878 WeakPolarHBondContact O-CG 3.17Å; A874-L878 PolarHBondContact O-N 3.4Å; A874-T902 HydrophobicContact CB-CG2 4.04Å; A874-Q905 HydrophobicContact CB-CB 3.98Å; A874-L906 HydrophobicContact CB-CD2 3.95Å; A874-L906 HydrophobicContact CB-CG 4.01Å
875	A	87.9	Confident	85.5	Confident	45 Å²	45	79.4 Å²	79.4	37%	0.372	38%	0.38	S	S	.	.	H	α-helix	trans	-62.2	-41	176.1	0	0	0	0	0	112.6	A871 R873 R879	A871-A875 VanDerWaalsContact O-CB 3.25Å; A871-A875 WeakPolarHBondContact O-CB 3.3Å; A871-A875 PolarHBondContact O-N 2.75Å; R873-A875 VanDerWaalsContact C-N 3.33Å; R873-A875 PolarHBondContact O-N 3.49Å; A875-R879 WeakPolarHBondContact O-CB 3.31Å; A875-R879 WeakPolarHBondContact O-CG 3.2Å; A875-R879 PolarHBondContact O-N 2.99Å
876	L	87.8	Confident	85.6	Confident	115 Å²	115	78.9 Å²	78.9	60%	0.602	38%	0.377	S	S	*	.	H	α-helix	trans	-63.3	-43.8	175.1	-75.1	164.9	0	0	0	112	E872 R873 A874 R879 R880	E872-L876 VanDerWaalsContact O-CG 3.3Å; E872-L876 WeakPolarHBondContact O-CG 3.36Å; E872-L876 PolarHBondContact O-N 3.48Å; R873-L876 PolarHBondContact O-N 2.77Å; A874-L876 PolarHBondContact O-N 3.37Å; L876-R879 PolarHBondContact O-N 2.78Å; L876-R880 WeakPolarHBondContact O-CB 3.38Å; L876-R880 PolarHBondContact O-N 3.34Å
877	L	87.8	Confident	85.7	Confident	14 Å²	14	78.7 Å²	78.7	7%	0.073	38%	0.377	C	S	.	.	H	α-helix	trans	-65.4	-44.6	177.5	-73.6	170.1	0	0	0	112.1	R873 A874 R879 R880 R881 D889 V891 T902 L906 L917	R873-L877 WeakPolarHBondContact O-CG 3.36Å; R873-L877 PolarHBondContact O-N 2.83Å; A874-L877 PolarHBondContact O-N 3.1Å; L877-R879 VanDerWaalsContact C-N 3.32Å; L877-R879 PolarHBondContact O-N 3.22Å; L877-R880 PolarHBondContact O-N 3.28Å; L877-R880 VanDerWaalsContact O-N 3.13Å; L877-R881 WeakPolarHBondContact O-CB 3.49Å; L877-R881 PolarHBondContact O-N 3.18Å; L877-D889 HydrophobicContact CD2-CB 4.27Å; L877-V891 HydrophobicContact CD1-CG2 3.69Å; L877-T902 HydrophobicContact CD1-CG2 4.26Å; L877-L906 HydrophobicContact CB-CD2 4.23Å; L877-L906 HydrophobicContact CD1-CD1 3.81Å; L877-L917 HydrophobicContact CD1-CD1 4.26Å; L877-L917 HydrophobicContact CD1-CD2 4.03Å
878	L	85.8	Confident	85.9	Confident	48 Å²	48	78 Å²	78	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-60.7	-41	176	-73.2	168.1	0	0	0	111.7	A874 R880 G882 Q883 L906 A909	A874-L878 WeakPolarHBondContact O-CB 3.22Å; A874-L878 VanDerWaalsContact O-CG 3.31Å; A874-L878 WeakPolarHBondContact O-CG 3.17Å; A874-L878 PolarHBondContact O-N 3.4Å; L878-R880 VanDerWaalsContact C-N 3.33Å; L878-R880 PolarHBondContact O-N 2.65Å; L878-G882 VanDerWaalsContact O-CA 3.31Å; L878-G882 WeakPolarHBondContact O-CA 3.47Å; L878-G882 PolarHBondContact O-N 3.03Å; L878-Q883 HydrophobicContact CD2-CG 4.48Å; L878-L906 HydrophobicContact CD1-CD2 4.15Å; L878-L906 HydrophobicContact CD2-CD2 3.92Å; L878-L906 HydrophobicContact CG-CD2 3.61Å; L878-A909 HydrophobicContact CD1-CB 3.85Å; L878-A909 HydrophobicContact CD2-CB 4.48Å
879	R	84.8	Confident	86.1	Confident	218 Å²	218	70.7 Å²	70.7	82%	0.823	34%	0.342	S	S	*	.	H	α-helix	trans	-64.2	-36.8	174.3	-76.5	178.6	-179.6	-174.4	0.6	112.7	A875 L876 L877	A875-R879 WeakPolarHBondContact O-CB 3.31Å; A875-R879 WeakPolarHBondContact O-CG 3.2Å; A875-R879 PolarHBondContact O-N 2.99Å; L876-R879 PolarHBondContact O-N 2.78Å; L877-R879 VanDerWaalsContact C-N 3.32Å; L877-R879 PolarHBondContact O-N 3.22Å
880	R	83.9	Confident	86.3	Confident	192 Å²	192	69.9 Å²	69.9	73%	0.725	35%	0.345	S	S	*	.	H	α-helix	trans	-80.7	-35.1	-175.7	-168.8	179.6	-170.4	-176.1	4.4	113.3	L876 L877 L878	L876-R880 WeakPolarHBondContact O-CB 3.38Å; L876-R880 PolarHBondContact O-N 3.34Å; L877-R880 PolarHBondContact O-N 3.28Å; L877-R880 VanDerWaalsContact O-N 3.13Å; L878-R880 VanDerWaalsContact C-N 3.33Å; L878-R880 PolarHBondContact O-N 2.65Å
881	R	79.4	Confident	86.3	Confident	126 Å²	126	70.3 Å²	70.3	48%	0.475	35%	0.348	S	S	.	.	H	α-helix	trans	-114.4	-15.9	-169.9	-62.4	-62.7	-167.3	178.7	3.4	114.3	L877 L887 D889	L877-R881 WeakPolarHBondContact O-CB 3.49Å; L877-R881 PolarHBondContact O-N 3.18Å; R881-L887 HydrophobicContact CB-CD1 4.14Å; R881-L887 HydrophobicContact CG-CD1 4.16Å; R881-D889 IonicContact CZ-OD2 2.82Å; R881-D889 IonicContact NE-OD2 2.75Å; R881-D889 PolarHBondContact NE-OD2 3.11Å; R881-D889 IonicContact NH2-OD1 3.37Å; R881-D889 IonicContact NH2-OD2 3.43Å; R881-D889 PolarHBondContact NH2-OD2 3.2Å; R881-D889 VanDerWaalsContact NH2-OD2 3.09Å
882	G	73.1	Confident	86.2	Confident	36 Å²	36	75.8 Å²	75.8	37%	0.371	37%	0.366	S	S	.	.			trans	70.6	-170.9	-170.9	0	0	0	0	0	112.6	L878	L878-G882 VanDerWaalsContact O-CA 3.31Å; L878-G882 WeakPolarHBondContact O-CA 3.47Å; L878-G882 PolarHBondContact O-N 3.03Å
883	Q	74.9	Confident	86	Confident	145 Å²	145	71.9 Å²	71.9	68%	0.678	35%	0.348	S	S	*	.	S	Bend	trans	-89.2	116	170.5	-69.3	177.9	-19.2	0	0	108.7	L878 A909 A910	L878-Q883 HydrophobicContact CD2-CG 4.48Å; Q883-A909 PolarHBondContact NE2-O 2.99Å; Q883-A910 HydrophobicContact CG-CB 4.33Å
884	T	79.4	Confident	85.7	Confident	58 Å²	58	74.5 Å²	74.5	36%	0.356	37%	0.367	S	S	.	.			trans	-124.9	150.3	179.4	57.6	0	0	0	0	110.4	L886 S913	T884-L886 PolarHBondContact O-N 3.28Å; T884-L886 PolarHBondContact OG1-O 2.88Å; T884-S913 VanDerWaalsContact O-CB 3.25Å; T884-S913 WeakPolarHBondContact O-CB 3.46Å; T884-S913 PolarHBondContact O-OG 3.44Å
885	E	83.4	Confident	85.5	Confident	151 Å²	151	75 Å²	75	71%	0.706	37%	0.37	S	S	*	.	S	Bend	trans	-62.8	-29.7	177.8	-70.3	-178	157	0	0	112.7	S913 H914	E885-S913 CarbonylContact O-C 3.54Å; E885-S913 VanDerWaalsContact O-CA 3.25Å; E885-S913 WeakPolarHBondContact O-CA 3.44Å; E885-H914 PolarHBondContact O-N 3.15Å
886	L	89.3	Confident	85.4	Confident	25 Å²	25	75.9 Å²	75.9	13%	0.131	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.4	173.7	178.2	63.9	0	0	0	110.3	T884 V888 H914 W945 K981 A984 L985	T884-L886 PolarHBondContact O-N 3.28Å; T884-L886 PolarHBondContact OG1-O 2.88Å; L886-V888 HydrophobicContact CD1-CG2 3.99Å; L886-V888 HydrophobicContact CG-CG2 4.26Å; L886-H914 HydrophobicContact CD1-CB 3.66Å; L886-W945 HydrophobicContact CD1-CH2 3.68Å; L886-W945 HydrophobicContact CD1-CZ2 3.87Å; L886-K981 HydrophobicContact CD2-CG 3.93Å; L886-A984 HydrophobicContact CD1-CB 3.56Å; L886-A984 HydrophobicContact CD2-CB 3.84Å; L886-A984 HydrophobicContact CG-CB 4.38Å; L886-L985 HydrophobicContact CD2-CD2 3.87Å; L886-L985 HydrophobicContact CD2-CG 3.77Å
887	L	91.3	Very high	85.5	Confident	14 Å²	14	72.5 Å²	72.5	7%	0.073	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	105.5	177.2	-178.7	61.1	0	0	0	110.2	R881 L906 H914 V915 M916	R881-L887 HydrophobicContact CB-CD1 4.14Å; R881-L887 HydrophobicContact CG-CD1 4.16Å; L887-L906 HydrophobicContact CD2-CD1 3.85Å; L887-L906 HydrophobicContact CD2-CD2 4.23Å; L887-L906 HydrophobicContact CD2-CG 4.43Å; L887-H914 PolarHBondContact N-O 2.92Å; L887-V915 HydrophobicContact CB-CG2 4.36Å; L887-V915 HydrophobicContact CD2-CG1 4.3Å; L887-V915 CarbonylContact O-C 3.55Å; L887-V915 WeakPolarHBondContact O-CA 3.44Å; L887-M916 PolarHBondContact O-N 3.23Å
888	V	92.8	Very high	85.6	Confident	25 Å²	25	71.8 Å²	71.8	15%	0.152	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	113.8	171.8	-175.9	0	0	0	0	108.4	L886 M916 W945 L977 A980 K981	L886-V888 HydrophobicContact CD1-CG2 3.99Å; L886-V888 HydrophobicContact CG-CG2 4.26Å; V888-M916 VanDerWaalsContact CA-O 3.3Å; V888-M916 WeakPolarHBondContact CA-O 3.39Å; V888-M916 HydrophobicContact CG2-CB 4.42Å; V888-W945 HydrophobicContact CG2-CH2 4Å; V888-W945 HydrophobicContact CG2-CZ2 3.55Å; V888-L977 HydrophobicContact CG1-CD2 4.01Å; V888-A980 HydrophobicContact CG1-CB 3.76Å; V888-K981 HydrophobicContact CB-CB 4.33Å; V888-K981 HydrophobicContact CG2-CB 4.22Å
889	D	93.1	Very high	85.9	Confident	15 Å²	15	69.6 Å²	69.6	8%	0.08	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	170.8	-178.8	-141.5	-30.8	0	0	0	112.6	L877 R881 M916 L917 L918	L877-D889 HydrophobicContact CD2-CB 4.27Å; R881-D889 IonicContact CZ-OD2 2.82Å; R881-D889 IonicContact NE-OD2 2.75Å; R881-D889 PolarHBondContact NE-OD2 3.11Å; R881-D889 IonicContact NH2-OD1 3.37Å; R881-D889 IonicContact NH2-OD2 3.43Å; R881-D889 PolarHBondContact NH2-OD2 3.2Å; R881-D889 VanDerWaalsContact NH2-OD2 3.09Å; D889-M916 PolarHBondContact N-O 2.77Å; D889-L917 HydrophobicContact CB-CD2 4.23Å; D889-L917 VanDerWaalsContact O-CA 3.31Å; D889-L917 WeakPolarHBondContact O-CA 3.47Å; D889-L918 PolarHBondContact O-N 2.82Å
890	A	91.5	Very high	86.4	Confident	38 Å²	38	60.5 Å²	60.5	31%	0.314	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	144.7	173.1	0	0	0	0	0	111.7	L918 I973 L977	A890-L918 CarbonylContact C-O 3.55Å; A890-L918 VanDerWaalsContact CA-O 3.24Å; A890-L918 WeakPolarHBondContact CA-O 3.33Å; A890-I973 HydrophobicContact CB-CD1 3.61Å; A890-L977 HydrophobicContact CB-CD1 4.11Å
891	V	90.1	Very high	86.8	Confident	10 Å²	10	53.7 Å²	53.7	6%	0.061	29%	0.286	C	S	.	.			trans	-129	131.1	174.3	-177.6	0	0	0	0	110.2	R873 L877 T893 L899 L917 L918 A919	R873-V891 HydrophobicContact CB-CG1 4.27Å; R873-V891 HydrophobicContact CG-CG1 4.07Å; L877-V891 HydrophobicContact CD1-CG2 3.69Å; V891-T893 HydrophobicContact CG1-CG2 4.11Å; V891-T893 PolarHBondContact O-N 2.82Å; V891-T893 VanDerWaalsContact O-N 3.12Å; V891-L899 HydrophobicContact CB-CD1 4.07Å; V891-L899 HydrophobicContact CG2-CD1 4.42Å; V891-L917 HydrophobicContact CG2-CB 4.12Å; V891-L917 HydrophobicContact CG2-CD1 3.74Å; V891-L917 HydrophobicContact CG2-CD2 3.96Å; V891-L917 HydrophobicContact CG2-CG 4.14Å; V891-L918 PolarHBondContact N-O 2.83Å; V891-A919 VanDerWaalsContact O-CA 3.31Å; V891-A919 WeakPolarHBondContact O-CA 3.39Å; V891-A919 VanDerWaalsContact O-CB 3.25Å; V891-A919 WeakPolarHBondContact O-CB 3.25Å
892	E	86.6	Confident	87.4	Confident	158 Å²	158	47.7 Å²	47.7	74%	0.738	26%	0.263	S	S	*	.			trans	-75.9	100.5	172.7	-65.7	-174.4	170.3	0	0	109.7	R873	R873-E892 VanDerWaalsContact CZ-O 3.23Å; R873-E892 PolarHBondContact NE-O 3.22Å; R873-E892 PolarHBondContact NH2-O 3.34Å
893	T	84.9	Confident	88.4	Confident	10 Å²	10	46 Å²	46	6%	0.061	25%	0.245	C	C	.	.			trans	-156.4	137.4	173.3	176.5	0	0	0	0	110.8	V891 S895 L899 A919	V891-T893 HydrophobicContact CG1-CG2 4.11Å; V891-T893 PolarHBondContact O-N 2.82Å; V891-T893 VanDerWaalsContact O-N 3.12Å; T893-S895 PolarHBondContact OG1-N 2.81Å; T893-S895 VanDerWaalsContact OG1-N 3.07Å; T893-S895 PolarHBondContact OG1-O 2.96Å; T893-L899 HydrophobicContact CG2-CB 3.9Å; T893-L899 HydrophobicContact CG2-CD1 4.11Å; T893-A919 HydrophobicContact CG2-CB 3.58Å; T893-A919 WeakPolarHBondContact O-CB 3.4Å
894	D	83.3	Confident	89.2	Confident	118 Å²	118	42.2 Å²	42.2	63%	0.631	23%	0.23	S	C	*	.	S	Bend	trans	-90.7	-4.4	171.8	-66.3	-49.2	0	0	0	113	Q921	D894-Q921 PolarHBondContact O-NE2 2.94Å; D894-Q921 PolarHBondContact OD1-NE2 3.4Å
895	S	84.6	Confident	89.8	Confident	15 Å²	15	42.3 Å²	42.3	11%	0.105	23%	0.226	C	C	.	.			trans	-104.1	117.3	178.5	174.1	0	0	0	0	111.2	E866 T893 S897 V898 L899	E866-S895 PolarHBondContact OE1-OG 3.34Å; T893-S895 PolarHBondContact OG1-N 2.81Å; T893-S895 VanDerWaalsContact OG1-N 3.07Å; T893-S895 PolarHBondContact OG1-O 2.96Å; S895-S897 PolarHBondContact O-N 2.66Å; S895-S897 PolarHBondContact OG-N 3.33Å; S895-V898 PolarHBondContact O-N 3.32Å; S895-V898 PolarHBondContact OG-N 2.89Å; S895-L899 PolarHBondContact O-N 2.93Å; S895-L899 VanDerWaalsContact O-N 3.07Å
896	P	86.6	Confident	90.1	Very high	62 Å²	62	35.2 Å²	35.2	40%	0.403	19%	0.193	S	C	.	.	H	α-helix	trans	-59.1	-31	170	-22.7	32.3	0	0	0	112.8	L899 M900 F928	P896-L899 PolarHBondContact O-N 3.44Å; P896-M900 PolarHBondContact O-N 3.49Å; P896-F928 HydrophobicContact CB-CD1 4.31Å; P896-F928 HydrophobicContact CB-CG 4.34Å; P896-F928 HydrophobicContact CG-CD1 3.7Å; P896-F928 HydrophobicContact CG-CD2 3.87Å; P896-F928 HydrophobicContact CG-CE1 3.54Å; P896-F928 HydrophobicContact CG-CE2 3.7Å; P896-F928 HydrophobicContact CG-CG 3.87Å; P896-F928 HydrophobicContact CG-CZ 3.55Å
897	S	88.9	Confident	90.1	Very high	44 Å²	44	34.4 Å²	34.4	31%	0.308	19%	0.189	S	C	.	.	H	α-helix	trans	-68	-43.6	177.8	178.9	0	0	0	0	111.1	E866 S895 L899 M900 K901	E866-S897 WeakPolarHBondContact OE1-CB 2.77Å; E866-S897 PolarHBondContact OE1-OG 2.99Å; E866-S897 PolarHBondContact OE2-OG 3.1Å; S895-S897 PolarHBondContact O-N 2.66Å; S895-S897 PolarHBondContact OG-N 3.33Å; S897-L899 VanDerWaalsContact C-N 3.33Å; S897-M900 PolarHBondContact O-N 3.08Å; S897-K901 WeakPolarHBondContact O-CB 3.3Å; S897-K901 VanDerWaalsContact O-CG 3.29Å; S897-K901 WeakPolarHBondContact O-CG 3.34Å; S897-K901 PolarHBondContact O-N 3.29Å
898	V	90.3	Very high	90	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-42.9	173.5	175.1	0	0	0	0	110.6	L817 E866 Q869 A870 S895 K901 T902	L817-V898 HydrophobicContact CD2-CG2 4Å; E866-V898 HydrophobicContact CB-CG2 3.8Å; E866-V898 HydrophobicContact CG-CG2 3.77Å; Q869-V898 HydrophobicContact CB-CG1 4.12Å; Q869-V898 HydrophobicContact CB-CG2 4.43Å; A870-V898 HydrophobicContact CB-CG1 4.34Å; S895-V898 PolarHBondContact O-N 3.32Å; S895-V898 PolarHBondContact OG-N 2.89Å; V898-K901 PolarHBondContact O-N 2.92Å; V898-T902 WeakPolarHBondContact O-CB 3.25Å; V898-T902 PolarHBondContact O-N 2.91Å; V898-T902 PolarHBondContact O-OG1 3.19Å
899	L	92.5	Very high	89.7	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-52.3	177.6	-174.4	64.5	0	0	0	111.6	V891 T893 S895 P896 S897 K901 T902 V903 L917 A919 F928 A930	V891-L899 HydrophobicContact CB-CD1 4.07Å; V891-L899 HydrophobicContact CG2-CD1 4.42Å; T893-L899 HydrophobicContact CG2-CB 3.9Å; T893-L899 HydrophobicContact CG2-CD1 4.11Å; S895-L899 PolarHBondContact O-N 2.93Å; S895-L899 VanDerWaalsContact O-N 3.07Å; P896-L899 PolarHBondContact O-N 3.44Å; S897-L899 VanDerWaalsContact C-N 3.33Å; L899-K901 PolarHBondContact O-N 2.82Å; L899-T902 WeakPolarHBondContact O-CB 3.34Å; L899-T902 PolarHBondContact O-N 2.95Å; L899-V903 PolarHBondContact O-N 3.48Å; L899-L917 HydrophobicContact CD1-CB 3.49Å; L899-L917 VanDerWaalsContact CD1-CB 3.49Å; L899-L917 HydrophobicContact CD1-CD1 4.34Å; L899-L917 HydrophobicContact CG-CB 4.37Å; L899-A919 HydrophobicContact CD1-CB 4.04Å; L899-A919 HydrophobicContact CD2-CB 3.98Å; L899-A919 HydrophobicContact CG-CB 4.5Å; L899-F928 HydrophobicContact CD2-CB 3.66Å; L899-F928 WeakPolarHBondContact CD2-O 3.24Å; L899-A930 HydrophobicContact CD2-CB 4Å; L899-A930 HydrophobicContact CG-CB 3.88Å
900	M	93.5	Very high	89.4	Confident	27 Å²	27	38 Å²	38	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-41.2	178.7	-170.5	71.4	-119.9	0	0	112.2	P896 S897 T902 V903 N904 A930 V963 K965	P896-M900 PolarHBondContact O-N 3.49Å; S897-M900 PolarHBondContact O-N 3.08Å; M900-T902 VanDerWaalsContact C-N 3.29Å; M900-T902 PolarHBondContact O-N 3.4Å; M900-V903 HydrophobicContact CE-CB 4.12Å; M900-V903 HydrophobicContact CE-CG1 3.9Å; M900-V903 WeakPolarHBondContact O-CB 3.2Å; M900-V903 PolarHBondContact O-N 2.86Å; M900-N904 WeakPolarHBondContact CE-OD1 3.28Å; M900-N904 VanDerWaalsContact O-CG 3.23Å; M900-N904 PolarHBondContact O-N 3.07Å; M900-N904 PolarHBondContact O-OD1 3.3Å; M900-A930 HydrophobicContact CB-CB 4.34Å; M900-A930 HydrophobicContact SD-CB 3.8Å; M900-V963 HydrophobicContact CE-CB 4.43Å; M900-V963 HydrophobicContact CE-CG1 3.28Å; M900-V963 HydrophobicContact CE-CG2 4.41Å; M900-V963 HydrophobicContact SD-CG1 3.81Å; M900-K965 HydrophobicContact SD-CB 4.49Å
901	K	92.8	Very high	89.2	Confident	50 Å²	50	40.5 Å²	40.5	22%	0.217	24%	0.239	C	C	.	.	H	α-helix	trans	-64.2	-34.9	175.7	-75.2	172.7	179.3	176.1	0	112.2	R863 E866 A870 S897 V898 L899 N904 Q905	R863-K901 PolarHBondContact O-NZ 2.79Å; E866-K901 HydrophobicContact CB-CD 4.07Å; E866-K901 IonicContact OE2-NZ 3.74Å; E866-K901 PolarHBondContact OE2-NZ 3.4Å; A870-K901 HydrophobicContact CB-CB 3.62Å; S897-K901 WeakPolarHBondContact O-CB 3.3Å; S897-K901 VanDerWaalsContact O-CG 3.29Å; S897-K901 WeakPolarHBondContact O-CG 3.34Å; S897-K901 PolarHBondContact O-N 3.29Å; V898-K901 PolarHBondContact O-N 2.92Å; L899-K901 PolarHBondContact O-N 2.82Å; K901-N904 PolarHBondContact O-N 3.3Å; K901-Q905 WeakPolarHBondContact O-CG 3.31Å; K901-Q905 PolarHBondContact O-N 2.86Å
902	T	93.4	Very high	89	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-46.7	175.5	-52.9	0	0	0	0	109.9	A870 R873 A874 L877 V898 L899 M900 N904 Q905 L906 L917	A870-T902 WeakPolarHBondContact CA-OG1 3.18Å; R873-T902 HydrophobicContact CB-CG2 3.94Å; A874-T902 HydrophobicContact CB-CG2 4.04Å; L877-T902 HydrophobicContact CD1-CG2 4.26Å; V898-T902 WeakPolarHBondContact O-CB 3.25Å; V898-T902 PolarHBondContact O-N 2.91Å; V898-T902 PolarHBondContact O-OG1 3.19Å; L899-T902 WeakPolarHBondContact O-CB 3.34Å; L899-T902 PolarHBondContact O-N 2.95Å; M900-T902 VanDerWaalsContact C-N 3.29Å; M900-T902 PolarHBondContact O-N 3.4Å; T902-N904 PolarHBondContact O-N 3.12Å; T902-Q905 PolarHBondContact O-N 3.3Å; T902-L906 HydrophobicContact CG2-CD1 4.18Å; T902-L906 VanDerWaalsContact O-CG 3.31Å; T902-L906 WeakPolarHBondContact O-CG 3.47Å; T902-L906 PolarHBondContact O-N 2.79Å; T902-L917 HydrophobicContact CG2-CD1 3.68Å
903	V	93.3	Very high	89	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-54.7	-51.1	172.8	170.7	0	0	0	0	110.9	L899 M900 Q905 L906 S907 V915 L917 A930 Q932	L899-V903 PolarHBondContact O-N 3.48Å; M900-V903 HydrophobicContact CE-CB 4.12Å; M900-V903 HydrophobicContact CE-CG1 3.9Å; M900-V903 WeakPolarHBondContact O-CB 3.2Å; M900-V903 PolarHBondContact O-N 2.86Å; V903-Q905 VanDerWaalsContact C-N 3.28Å; V903-Q905 PolarHBondContact O-N 2.85Å; V903-L906 PolarHBondContact O-N 2.67Å; V903-S907 PolarHBondContact O-N 2.94Å; V903-S907 PolarHBondContact O-OG 2.83Å; V903-V915 HydrophobicContact CB-CG1 4.48Å; V903-V915 HydrophobicContact CG1-CB 4.32Å; V903-V915 HydrophobicContact CG1-CG1 4.13Å; V903-V915 HydrophobicContact CG2-CG1 4.35Å; V903-L917 HydrophobicContact CG2-CB 3.94Å; V903-L917 HydrophobicContact CG2-CD1 3.58Å; V903-L917 HydrophobicContact CG2-CG 3.68Å; V903-A930 HydrophobicContact CG2-CB 3.89Å; V903-A930 WeakPolarHBondContact CG2-O 3.24Å; V903-Q932 HydrophobicContact CG1-CB 3.51Å
904	N	91.8	Very high	89.4	Confident	66 Å²	66	40.2 Å²	40.2	35%	0.353	24%	0.241	S	C	.	.	H	α-helix	trans	-59	-38.9	-179.3	-67.1	-6.3	0	0	0	112.8	M900 K901 T902 A908 Q932	M900-N904 WeakPolarHBondContact CE-OD1 3.28Å; M900-N904 VanDerWaalsContact O-CG 3.23Å; M900-N904 PolarHBondContact O-N 3.07Å; M900-N904 PolarHBondContact O-OD1 3.3Å; K901-N904 PolarHBondContact O-N 3.3Å; T902-N904 PolarHBondContact O-N 3.12Å; N904-A908 VanDerWaalsContact O-CB 3.31Å; N904-A908 WeakPolarHBondContact O-CB 3.23Å; N904-A908 PolarHBondContact O-N 2.8Å; N904-Q932 PolarHBondContact OD1-OE1 3.3Å; N904-Q932 VanDerWaalsContact OD1-OE1 3.12Å
905	Q	91.1	Very high	89.9	Confident	60 Å²	60	34.6 Å²	34.6	28%	0.28	21%	0.211	S	C	.	.	H	α-helix	trans	-71.7	-38.5	178.5	-76.3	174.1	-12.3	0	0	112.4	A867 A870 A874 K901 T902 V903 A908 A909	A867-Q905 PolarHBondContact O-NE2 3.07Å; A870-Q905 PolarHBondContact O-OE1 2.93Å; A874-Q905 HydrophobicContact CB-CB 3.98Å; K901-Q905 WeakPolarHBondContact O-CG 3.31Å; K901-Q905 PolarHBondContact O-N 2.86Å; T902-Q905 PolarHBondContact O-N 3.3Å; V903-Q905 VanDerWaalsContact C-N 3.28Å; V903-Q905 PolarHBondContact O-N 2.85Å; Q905-A908 PolarHBondContact O-N 3.2Å; Q905-A909 WeakPolarHBondContact O-CB 3.29Å; Q905-A909 PolarHBondContact O-N 2.98Å
906	L	90.3	Very high	90.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-46.6	173.4	-69.1	168.7	0	0	0	110.9	A874 L877 L878 L887 T902 V903 A908 A909 A910 V915 L917	A874-L906 HydrophobicContact CB-CD2 3.95Å; A874-L906 HydrophobicContact CB-CG 4.01Å; L877-L906 HydrophobicContact CB-CD2 4.23Å; L877-L906 HydrophobicContact CD1-CD1 3.81Å; L878-L906 HydrophobicContact CD1-CD2 4.15Å; L878-L906 HydrophobicContact CD2-CD2 3.92Å; L878-L906 HydrophobicContact CG-CD2 3.61Å; L887-L906 HydrophobicContact CD2-CD1 3.85Å; L887-L906 HydrophobicContact CD2-CD2 4.23Å; L887-L906 HydrophobicContact CD2-CG 4.43Å; T902-L906 HydrophobicContact CG2-CD1 4.18Å; T902-L906 VanDerWaalsContact O-CG 3.31Å; T902-L906 WeakPolarHBondContact O-CG 3.47Å; T902-L906 PolarHBondContact O-N 2.79Å; V903-L906 PolarHBondContact O-N 2.67Å; L906-A908 VanDerWaalsContact C-N 3.29Å; L906-A908 PolarHBondContact O-N 3.02Å; L906-A909 PolarHBondContact O-N 2.95Å; L906-A910 PolarHBondContact O-N 2.7Å; L906-V915 HydrophobicContact CB-CG1 4.12Å; L906-V915 HydrophobicContact CB-CG2 4.3Å; L906-V915 HydrophobicContact CD1-CG1 3.99Å; L906-L917 HydrophobicContact CD1-CD1 3.7Å; L906-L917 HydrophobicContact CD1-CD2 4.2Å; L906-L917 HydrophobicContact CD1-CG 4.35Å
907	S	90.1	Very high	90.9	Very high	7 Å²	7	31 Å²	31	5%	0.049	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-29	175.7	-60.9	0	0	0	0	112.9	V903 A910 P911 V915 Q932	V903-S907 PolarHBondContact O-N 2.94Å; V903-S907 PolarHBondContact O-OG 2.83Å; S907-A910 CarbonylContact O-C 3.52Å; S907-P911 WeakPolarHBondContact O-CA 3.33Å; S907-V915 WeakPolarHBondContact OG-CG2 3.34Å; S907-Q932 VanDerWaalsContact CB-CD 3.46Å
908	A	88.9	Confident	91.2	Very high	76 Å²	76	28.9 Å²	28.9	63%	0.628	17%	0.172	S	C	*	.	H	α-helix	trans	-71.5	-36.3	172.3	0	0	0	0	0	112.2	N904 Q905 L906	N904-A908 VanDerWaalsContact O-CB 3.31Å; N904-A908 WeakPolarHBondContact O-CB 3.23Å; N904-A908 PolarHBondContact O-N 2.8Å; Q905-A908 PolarHBondContact O-N 3.2Å; L906-A908 VanDerWaalsContact C-N 3.29Å; L906-A908 PolarHBondContact O-N 3.02Å
909	A	86.9	Confident	91.3	Very high	41 Å²	41	28.9 Å²	28.9	34%	0.339	17%	0.172	S	C	.	.	H	α-helix	trans	-74.7	-25.4	176.1	0	0	0	0	0	112.9	L878 Q883 Q905 L906	L878-A909 HydrophobicContact CD1-CB 3.85Å; L878-A909 HydrophobicContact CD2-CB 4.48Å; Q883-A909 PolarHBondContact NE2-O 2.99Å; Q905-A909 WeakPolarHBondContact O-CB 3.29Å; Q905-A909 PolarHBondContact O-N 2.98Å; L906-A909 PolarHBondContact O-N 2.95Å
910	A	86.8	Confident	91.2	Very high	12 Å²	12	30.8 Å²	30.8	10%	0.099	18%	0.181	C	C	.	.	S	Bend	trans	-138.3	83.7	176.3	0	0	0	0	0	110.7	Q883 L906 S907 L912 S913	Q883-A910 HydrophobicContact CG-CB 4.33Å; L906-A910 PolarHBondContact O-N 2.7Å; S907-A910 CarbonylContact O-C 3.52Å; A910-L912 PolarHBondContact O-N 3.01Å; A910-L912 VanDerWaalsContact O-N 3.15Å; A910-S913 VanDerWaalsContact CB-OG 3.22Å; A910-S913 WeakPolarHBondContact CB-OG 3.26Å; A910-S913 WeakPolarHBondContact O-CB 3.45Å; A910-S913 PolarHBondContact O-N 3.28Å; A910-S913 VanDerWaalsContact O-N 3.08Å
911	P	85.4	Confident	90.9	Very high	92 Å²	92	31.2 Å²	31.2	60%	0.597	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.6	-172	-26	36.2	0	0	0	116	S907	S907-P911 WeakPolarHBondContact O-CA 3.33Å
912	L	86.5	Confident	90.1	Very high	145 Å²	145	38.2 Å²	38.2	76%	0.759	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.2	179.6	-60.9	177.1	0	0	0	112.9	A910 P934	A910-L912 PolarHBondContact O-N 3.01Å; A910-L912 VanDerWaalsContact O-N 3.15Å; L912-P934 VanDerWaalsContact C-CG 3.42Å; L912-P934 WeakPolarHBondContact O-CG 3.47Å
913	S	87.5	Confident	89.2	Confident	10 Å²	10	47.8 Å²	47.8	7%	0.07	25%	0.252	C	S	.	.			trans	-90.6	137.5	-176.1	-59	0	0	0	0	113.3	T884 E885 A910	T884-S913 VanDerWaalsContact O-CB 3.25Å; T884-S913 WeakPolarHBondContact O-CB 3.46Å; T884-S913 PolarHBondContact O-OG 3.44Å; E885-S913 CarbonylContact O-C 3.54Å; E885-S913 VanDerWaalsContact O-CA 3.25Å; E885-S913 WeakPolarHBondContact O-CA 3.44Å; A910-S913 VanDerWaalsContact CB-OG 3.22Å; A910-S913 WeakPolarHBondContact CB-OG 3.26Å; A910-S913 WeakPolarHBondContact O-CB 3.45Å; A910-S913 PolarHBondContact O-N 3.28Å; A910-S913 VanDerWaalsContact O-N 3.08Å
914	H	92.6	Very high	88.7	Confident	16 Å²	16	51.3 Å²	51.3	7%	0.074	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	114.5	163.3	-59.8	98.3	0	0	0	109.3	E885 L886 L887 P934 S937 W945 E988	E885-H914 PolarHBondContact O-N 3.15Å; L886-H914 HydrophobicContact CD1-CB 3.66Å; L887-H914 PolarHBondContact N-O 2.92Å; H914-P934 WeakPolarHBondContact CD2-CD 3.27Å; H914-P934 WeakPolarHBondContact NE2-CD 3.48Å; H914-S937 PolarHBondContact NE2-OG 3.23Å; H914-W945 HydrophobicContact CB-CH2 4.16Å; H914-W945 HydrophobicContact CB-CZ3 4.09Å; H914-E988 IonicContact CE1-OE1 3.3Å; H914-E988 PolarHBondContact CE1-OE1 3.47Å; H914-E988 IonicContact ND1-OE1 3.46Å; H914-E988 PolarHBondContact ND1-OE1 3.48Å
915	V	94.5	Very high	88.3	Confident	1 Å²	1	49 Å²	49	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.1	-175.7	-176.3	0	0	0	0	110.5	L887 V903 L906 S907 L917 C931 Q932	L887-V915 HydrophobicContact CB-CG2 4.36Å; L887-V915 HydrophobicContact CD2-CG1 4.3Å; L887-V915 CarbonylContact O-C 3.55Å; L887-V915 WeakPolarHBondContact O-CA 3.44Å; V903-V915 HydrophobicContact CB-CG1 4.48Å; V903-V915 HydrophobicContact CG1-CB 4.32Å; V903-V915 HydrophobicContact CG1-CG1 4.13Å; V903-V915 HydrophobicContact CG2-CG1 4.35Å; L906-V915 HydrophobicContact CB-CG1 4.12Å; L906-V915 HydrophobicContact CB-CG2 4.3Å; L906-V915 HydrophobicContact CD1-CG1 3.99Å; S907-V915 WeakPolarHBondContact OG-CG2 3.34Å; V915-L917 HydrophobicContact CG1-CG 4.33Å; V915-C931 CarbonylContact O-C 3.54Å; V915-C931 WeakPolarHBondContact O-CA 3.21Å; V915-C931 WeakPolarHBondContact O-CB 3.31Å; V915-Q932 PolarHBondContact N-O 2.91Å; V915-Q932 PolarHBondContact O-N 3.25Å
916	M	95.6	Very high	88.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.3	166.9	176.6	172.8	-77.2	0	0	110.6	L887 V888 D889 A930 C931 W945 V949 A980	L887-M916 PolarHBondContact O-N 3.23Å; V888-M916 VanDerWaalsContact CA-O 3.3Å; V888-M916 WeakPolarHBondContact CA-O 3.39Å; V888-M916 HydrophobicContact CG2-CB 4.42Å; D889-M916 PolarHBondContact N-O 2.77Å; M916-A930 WeakPolarHBondContact CA-O 3.37Å; M916-C931 HydrophobicContact CB-CB 3.75Å; M916-C931 HydrophobicContact CE-CB 3.68Å; M916-C931 HydrophobicContact CG-CB 4.02Å; M916-W945 HydrophobicContact CB-CD2 4.35Å; M916-W945 HydrophobicContact CB-CE3 4.19Å; M916-W945 HydrophobicContact CB-CH2 3.38Å; M916-W945 HydrophobicContact CB-CZ2 3.55Å; M916-W945 HydrophobicContact CB-CZ3 3.72Å; M916-W945 HydrophobicContact CE-CB 4.09Å; M916-W945 HydrophobicContact CE-CD2 3.46Å; M916-W945 VanDerWaalsContact CE-CD2 3.46Å; M916-W945 HydrophobicContact CE-CE3 4.01Å; M916-W945 HydrophobicContact CE-CG 3.47Å; M916-W945 VanDerWaalsContact CE-CG 3.47Å; M916-W945 HydrophobicContact CE-CZ2 4.48Å; M916-W945 HydrophobicContact SD-CD2 4.31Å; M916-W945 HydrophobicContact SD-CZ2 4.31Å; M916-V949 HydrophobicContact CE-CB 4.4Å; M916-V949 HydrophobicContact CE-CG2 4.08Å; M916-V949 HydrophobicContact SD-CB 4.19Å; M916-V949 HydrophobicContact SD-CG1 4.13Å; M916-V949 HydrophobicContact SD-CG2 3.78Å; M916-A980 HydrophobicContact SD-CB 3.66Å
917	L	96.1	Very high	88.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.4	175.3	-57.8	176.2	0	0	0	110.6	L877 D889 V891 L899 T902 V903 L906 V915 A930	L877-L917 HydrophobicContact CD1-CD1 4.26Å; L877-L917 HydrophobicContact CD1-CD2 4.03Å; D889-L917 HydrophobicContact CB-CD2 4.23Å; D889-L917 VanDerWaalsContact O-CA 3.31Å; D889-L917 WeakPolarHBondContact O-CA 3.47Å; V891-L917 HydrophobicContact CG2-CB 4.12Å; V891-L917 HydrophobicContact CG2-CD1 3.74Å; V891-L917 HydrophobicContact CG2-CD2 3.96Å; V891-L917 HydrophobicContact CG2-CG 4.14Å; L899-L917 HydrophobicContact CD1-CB 3.49Å; L899-L917 VanDerWaalsContact CD1-CB 3.49Å; L899-L917 HydrophobicContact CD1-CD1 4.34Å; L899-L917 HydrophobicContact CG-CB 4.37Å; T902-L917 HydrophobicContact CG2-CD1 3.68Å; V903-L917 HydrophobicContact CG2-CB 3.94Å; V903-L917 HydrophobicContact CG2-CD1 3.58Å; V903-L917 HydrophobicContact CG2-CG 3.68Å; L906-L917 HydrophobicContact CD1-CD1 3.7Å; L906-L917 HydrophobicContact CD1-CD2 4.2Å; L906-L917 HydrophobicContact CD1-CG 4.35Å; V915-L917 HydrophobicContact CG1-CG 4.33Å; L917-A930 PolarHBondContact N-O 2.73Å; L917-A930 PolarHBondContact O-N 2.77Å
918	L	95.3	Very high	88.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.7	170.4	-58	-173.5	0	0	0	110.5	D889 A890 V891 V927 F928 C929 V949 A976 L977	D889-L918 PolarHBondContact O-N 2.82Å; A890-L918 CarbonylContact C-O 3.55Å; A890-L918 VanDerWaalsContact CA-O 3.24Å; A890-L918 WeakPolarHBondContact CA-O 3.33Å; V891-L918 PolarHBondContact N-O 2.83Å; L918-V927 HydrophobicContact CB-CG1 4.22Å; L918-F928 CarbonylContact C-O 3.57Å; L918-F928 VanDerWaalsContact CA-O 3.3Å; L918-F928 WeakPolarHBondContact CA-O 3.35Å; L918-C929 HydrophobicContact CD2-CB 3.57Å; L918-V949 HydrophobicContact CD1-CG1 4.49Å; L918-V949 HydrophobicContact CD2-CG1 4.2Å; L918-A976 HydrophobicContact CD1-CB 3.97Å; L918-L977 HydrophobicContact CB-CD2 4.11Å; L918-L977 HydrophobicContact CD1-CD2 3.72Å; L918-L977 HydrophobicContact CD1-CG 4Å; L918-L977 HydrophobicContact CG-CD2 3.86Å
919	A	93	Very high	88.8	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.5	171.9	0	0	0	0	0	110.5	V891 T893 L899 V927 F928	V891-A919 VanDerWaalsContact O-CA 3.31Å; V891-A919 WeakPolarHBondContact O-CA 3.39Å; V891-A919 VanDerWaalsContact O-CB 3.25Å; V891-A919 WeakPolarHBondContact O-CB 3.25Å; T893-A919 HydrophobicContact CG2-CB 3.58Å; T893-A919 WeakPolarHBondContact O-CB 3.4Å; L899-A919 HydrophobicContact CD1-CB 4.04Å; L899-A919 HydrophobicContact CD2-CB 3.98Å; L899-A919 HydrophobicContact CG-CB 4.5Å; A919-V927 CarbonylContact O-C 3.43Å; A919-V927 WeakPolarHBondContact O-CA 3.5Å; A919-F928 HydrophobicContact CB-CB 4.32Å; A919-F928 PolarHBondContact N-O 2.64Å; A919-F928 PolarHBondContact O-N 2.94Å
920	H	90.8	Very high	89.3	Confident	42 Å²	42	45.1 Å²	45.1	19%	0.194	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.7	-177.1	-179	-160.7	0	0	0	111.4	R922 V927 S970 S971 I973	H920-R922 PolarHBondContact O-N 3.21Å; H920-V927 HydrophobicContact CB-CG2 4.47Å; H920-S970 PolarHBondContact NE2-O 3.32Å; H920-S970 VanDerWaalsContact NE2-O 3.07Å; H920-S971 PolarHBondContact CE1-O 3.03Å; H920-I973 HydrophobicContact CB-CD1 3.95Å; H920-I973 HydrophobicContact CB-CG1 4.33Å; H920-I973 HydrophobicContact CB-CG2 3.75Å
921	Q	86.2	Confident	89.7	Confident	35 Å²	35	44.5 Å²	44.5	16%	0.164	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	88.4	172.5	-56.9	-159	-59.2	0	0	110.1	D894 H923 S924 G925 K926 F928	D894-Q921 PolarHBondContact O-NE2 2.94Å; D894-Q921 PolarHBondContact OD1-NE2 3.4Å; Q921-H923 PolarHBondContact O-N 3.49Å; Q921-S924 WeakPolarHBondContact CB-OG 3.33Å; Q921-S924 PolarHBondContact O-N 2.87Å; Q921-S924 PolarHBondContact OE1-OG 2.97Å; Q921-G925 PolarHBondContact O-N 2.93Å; Q921-K926 HydrophobicContact CB-CB 4.39Å; Q921-K926 WeakPolarHBondContact CB-O 3.27Å; Q921-K926 PolarHBondContact N-O 2.93Å; Q921-F928 HydrophobicContact CG-CD2 4.38Å; Q921-F928 HydrophobicContact CG-CE2 4.01Å
922	R	76	Confident	90.2	Very high	198 Å²	198	41.9 Å²	41.9	75%	0.747	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.1	-174.1	-64.9	-175.1	-177	179.9	3.2	114.4	H920	H920-R922 PolarHBondContact O-N 3.21Å
923	H	75.7	Confident	90.5	Very high	201 Å²	201	35.2 Å²	35.2	93%	0.931	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-30.7	179.1	-63.3	-63.8	0	0	0	114.2	Q921	Q921-H923 PolarHBondContact O-N 3.49Å
924	S	81.4	Confident	90.6	Very high	73 Å²	73	35.6 Å²	35.6	51%	0.51	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-8.1	-178.2	64.6	0	0	0	0	113.3	Q921 K926	Q921-S924 WeakPolarHBondContact CB-OG 3.33Å; Q921-S924 PolarHBondContact O-N 2.87Å; Q921-S924 PolarHBondContact OE1-OG 2.97Å; S924-K926 PolarHBondContact O-N 2.75Å; S924-K926 WeakPolarHBondContact OG-CB 3.47Å; S924-K926 PolarHBondContact OG-N 2.93Å
925	G	83.3	Confident	90.1	Very high	19 Å²	19	43.1 Å²	43.1	20%	0.196	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	-0.6	-171.5	0	0	0	0	0	113.8	Q921 S969 S970	Q921-G925 PolarHBondContact O-N 2.93Å; G925-S969 CarbonylContact O-C 3.29Å; G925-S969 VanDerWaalsContact O-CA 3.23Å; G925-S969 WeakPolarHBondContact O-CA 3.33Å; G925-S969 PolarHBondContact O-OG 2.62Å; G925-S970 PolarHBondContact O-N 2.96Å
926	K	90.4	Very high	89.2	Confident	85 Å²	85	50.4 Å²	50.4	37%	0.37	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	139.7	-176.1	-164.8	175.4	-172.8	176.7	0	110.9	Q921 S924 F928	Q921-K926 HydrophobicContact CB-CB 4.39Å; Q921-K926 WeakPolarHBondContact CB-O 3.27Å; Q921-K926 PolarHBondContact N-O 2.93Å; S924-K926 PolarHBondContact O-N 2.75Å; S924-K926 WeakPolarHBondContact OG-CB 3.47Å; S924-K926 PolarHBondContact OG-N 2.93Å; K926-F928 HydrophobicContact CD-CE1 3.85Å; K926-F928 HydrophobicContact CD-CZ 3.91Å; K926-F928 VanDerWaalsContact CE-CE1 3.48Å; K926-F928 HydrophobicContact CG-CE1 4.33Å
927	V	92.6	Very high	88.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.4	177.4	-175.5	0	0	0	0	109.3	L918 A919 H920 L953 T967 G968 I973	L918-V927 HydrophobicContact CB-CG1 4.22Å; A919-V927 CarbonylContact O-C 3.43Å; A919-V927 WeakPolarHBondContact O-CA 3.5Å; H920-V927 HydrophobicContact CB-CG2 4.47Å; V927-L953 HydrophobicContact CB-CD1 4.17Å; V927-L953 HydrophobicContact CG1-CD1 3.89Å; V927-L953 HydrophobicContact CG2-CD2 4.45Å; V927-T967 CarbonylContact O-C 3.49Å; V927-T967 WeakPolarHBondContact O-CA 3.34Å; V927-G968 PolarHBondContact N-O 3.2Å; V927-G968 PolarHBondContact O-N 3.24Å; V927-I973 HydrophobicContact CB-CG2 4.41Å; V927-I973 HydrophobicContact CG1-CG2 3.88Å; V927-I973 HydrophobicContact CG2-CG2 3.57Å
928	F	94.3	Very high	86.7	Confident	15 Å²	15	58.2 Å²	58.2	7%	0.066	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	138.4	170.1	-60.6	-56	0	0	0	110	P896 L899 L918 A919 Q921 K926 T967	P896-F928 HydrophobicContact CB-CD1 4.31Å; P896-F928 HydrophobicContact CB-CG 4.34Å; P896-F928 HydrophobicContact CG-CD1 3.7Å; P896-F928 HydrophobicContact CG-CD2 3.87Å; P896-F928 HydrophobicContact CG-CE1 3.54Å; P896-F928 HydrophobicContact CG-CE2 3.7Å; P896-F928 HydrophobicContact CG-CG 3.87Å; P896-F928 HydrophobicContact CG-CZ 3.55Å; L899-F928 HydrophobicContact CD2-CB 3.66Å; L899-F928 WeakPolarHBondContact CD2-O 3.24Å; L918-F928 CarbonylContact C-O 3.57Å; L918-F928 VanDerWaalsContact CA-O 3.3Å; L918-F928 WeakPolarHBondContact CA-O 3.35Å; A919-F928 HydrophobicContact CB-CB 4.32Å; A919-F928 PolarHBondContact N-O 2.64Å; A919-F928 PolarHBondContact O-N 2.94Å; Q921-F928 HydrophobicContact CG-CD2 4.38Å; Q921-F928 HydrophobicContact CG-CE2 4.01Å; K926-F928 HydrophobicContact CD-CE1 3.85Å; K926-F928 HydrophobicContact CD-CZ 3.91Å; K926-F928 VanDerWaalsContact CE-CE1 3.48Å; K926-F928 HydrophobicContact CG-CE1 4.33Å; F928-T967 HydrophobicContact CD1-CG2 3.73Å; F928-T967 HydrophobicContact CE1-CG2 3.95Å
929	C	95.1	Very high	85.7	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.014	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.7	175.9	177.3	0	0	0	0	108.9	L918 K965 G966	L918-C929 HydrophobicContact CD2-CB 3.57Å; C929-K965 CarbonylContact O-C 3.58Å; C929-K965 WeakPolarHBondContact O-CA 3.36Å; C929-G966 PolarHBondContact N-O 3.45Å; C929-G966 PolarHBondContact O-N 3.24Å
930	A	96.5	Very high	85.4	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140	169.6	0	0	0	0	0	109.5	L899 M900 V903 M916 L917 A964	L899-A930 HydrophobicContact CD2-CB 4Å; L899-A930 HydrophobicContact CG-CB 3.88Å; M900-A930 HydrophobicContact CB-CB 4.34Å; M900-A930 HydrophobicContact SD-CB 3.8Å; V903-A930 HydrophobicContact CG2-CB 3.89Å; V903-A930 WeakPolarHBondContact CG2-O 3.24Å; M916-A930 WeakPolarHBondContact CA-O 3.37Å; L917-A930 PolarHBondContact N-O 2.73Å; L917-A930 PolarHBondContact O-N 2.77Å; A930-A964 WeakPolarHBondContact CA-O 3.47Å
931	C	95.2	Very high	85.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	155.4	176.4	64.5	0	0	0	0	112.9	V915 M916 A942 W945 V963 A964	V915-C931 CarbonylContact O-C 3.54Å; V915-C931 WeakPolarHBondContact O-CA 3.21Å; V915-C931 WeakPolarHBondContact O-CB 3.31Å; M916-C931 HydrophobicContact CB-CB 3.75Å; M916-C931 HydrophobicContact CE-CB 3.68Å; M916-C931 HydrophobicContact CG-CB 4.02Å; C931-A942 PolarHBondContact SG-O 2.98Å; C931-W945 HydrophobicContact CB-CE3 3.84Å; C931-W945 HydrophobicContact CB-CZ3 4.06Å; C931-V963 WeakPolarHBondContact O-CA 3.2Å; C931-A964 PolarHBondContact N-O 2.88Å; C931-A964 PolarHBondContact O-N 3.14Å
932	Q	95.1	Very high	85.8	Confident	37 Å²	37	58.4 Å²	58.4	17%	0.173	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	136.2	172.9	178	172.6	-18.9	0	0	108.6	V903 N904 S907 V915 L962 V963	V903-Q932 HydrophobicContact CG1-CB 3.51Å; N904-Q932 PolarHBondContact OD1-OE1 3.3Å; N904-Q932 VanDerWaalsContact OD1-OE1 3.12Å; S907-Q932 VanDerWaalsContact CB-CD 3.46Å; V915-Q932 PolarHBondContact N-O 2.91Å; V915-Q932 PolarHBondContact O-N 3.25Å; Q932-L962 VanDerWaalsContact CA-O 3.28Å; Q932-L962 WeakPolarHBondContact CA-O 3.26Å; Q932-V963 HydrophobicContact CB-CG2 4.05Å; Q932-V963 HydrophobicContact CG-CG2 3.76Å
933	V	93.1	Very high	86.6	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.03	28%	0.282	C	S	.	.			trans	-109.9	162.5	176.1	-57.9	0	0	0	0	110.1	L940 A942 W945 A961 L962	V933-L940 HydrophobicContact CG1-CD2 4.48Å; V933-L940 HydrophobicContact CG1-CG 4.48Å; V933-A942 HydrophobicContact CG1-CB 4.05Å; V933-A942 HydrophobicContact CG2-CB 4.15Å; V933-W945 HydrophobicContact CG1-CE3 4.09Å; V933-W945 HydrophobicContact CG1-CZ3 4.36Å; V933-A961 WeakPolarHBondContact CG2-O 3.34Å; V933-L962 PolarHBondContact N-O 3.11Å; V933-L962 WeakPolarHBondContact O-CD1 3.49Å
934	P	89.6	Confident	87.4	Confident	17 Å²	17	45.5 Å²	45.5	11%	0.11	26%	0.263	C	S	.	.			trans	-59.4	148.1	173.5	-24.4	35.9	0	0	0	111.9	L912 H914 D936 S937	L912-P934 VanDerWaalsContact C-CG 3.42Å; L912-P934 WeakPolarHBondContact O-CG 3.47Å; H914-P934 WeakPolarHBondContact CD2-CD 3.27Å; H914-P934 WeakPolarHBondContact NE2-CD 3.48Å; P934-D936 PolarHBondContact O-N 3.48Å; P934-S937 PolarHBondContact O-N 3.31Å
935	K	82.4	Confident	88	Confident	175 Å²	175	42 Å²	42	76%	0.761	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.1	-177.2	-75.3	-177.7	179.2	177.6	0	113.9	L962	K935-L962 HydrophobicContact CB-CD1 4.28Å; K935-L962 HydrophobicContact CG-CD1 3.72Å; K935-L962 HydrophobicContact CG-CD2 4.28Å
936	D	75.8	Confident	88.5	Confident	153 Å²	153	41.1 Å²	41.1	82%	0.818	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	20.7	-176.5	-55.2	-47.1	0	0	0	112.3	P934 P938	P934-D936 PolarHBondContact O-N 3.48Å; D936-P938 WeakPolarHBondContact O-CD 3.43Å
937	S	73.3	Confident	88.8	Confident	32 Å²	32	39.3 Å²	39.3	22%	0.224	23%	0.225	C	C	.	.			trans	-72.1	111.2	176.7	-176.3	0	0	0	0	110.2	H914 P934 A939	H914-S937 PolarHBondContact NE2-OG 3.23Å; P934-S937 PolarHBondContact O-N 3.31Å; S937-A939 VanDerWaalsContact C-N 3.31Å
938	P	65.7	Low	88.8	Confident	133 Å²	133	40.1 Å²	40.1	86%	0.864	23%	0.232	S	C	*	.	S	Bend	trans	-82.7	-10.9	-175.8	32.6	-30.9	0	0	0	112.9	D936	D936-P938 WeakPolarHBondContact O-CD 3.43Å
939	A	75	Confident	88.7	Confident	49 Å²	49	39.4 Å²	39.4	41%	0.405	23%	0.229	S	C	.	.	S	Bend	trans	-118.2	-22	-159.5	0	0	0	0	0	114	S937 K987	S937-A939 VanDerWaalsContact C-N 3.31Å; A939-K987 CarbonylContact C-O 3.56Å; A939-K987 WeakPolarHBondContact CB-O 3.38Å
940	L	86.9	Confident	88.6	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.037	23%	0.228	C	C	.	.			trans	-134.3	114.2	177.3	-175.9	66.5	0	0	0	112.7	V933 W945 F983 A984 K987	V933-L940 HydrophobicContact CG1-CD2 4.48Å; V933-L940 HydrophobicContact CG1-CG 4.48Å; L940-W945 HydrophobicContact CD1-CB 4.04Å; L940-W945 HydrophobicContact CD1-CG 4.31Å; L940-W945 HydrophobicContact CD2-CD2 3.91Å; L940-W945 HydrophobicContact CD2-CE3 3.96Å; L940-W945 HydrophobicContact CD2-CG 4.2Å; L940-W945 HydrophobicContact CD2-CZ3 4.45Å; L940-W945 HydrophobicContact CG-CB 4.39Å; L940-F983 HydrophobicContact CD1-CD1 4.05Å; L940-F983 HydrophobicContact CD1-CE1 3.77Å; L940-A984 HydrophobicContact CD2-CB 3.77Å; L940-K987 HydrophobicContact CB-CB 4.25Å; L940-K987 HydrophobicContact CD1-CB 3.89Å; L940-K987 HydrophobicContact CD1-CG 4.15Å
941	A	91.7	Very high	88.4	Confident	25 Å²	25	48 Å²	48	21%	0.207	26%	0.261	C	S	.	.			trans	-84.1	135.5	169.9	0	0	0	0	0	111.5	S943 D944 W945 A961	A941-S943 VanDerWaalsContact C-N 3.28Å; A941-S943 PolarHBondContact O-N 3.17Å; A941-D944 HydrophobicContact CB-CB 4.31Å; A941-D944 PolarHBondContact O-N 3.43Å; A941-D944 VanDerWaalsContact O-N 3.14Å; A941-W945 PolarHBondContact O-N 3.22Å; A941-A961 HydrophobicContact CB-CB 4.31Å
942	A	92.6	Very high	88.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-39.4	177.3	0	0	0	0	0	112.4	C931 V933 D944 W945 A946 A961 L962 A964	C931-A942 PolarHBondContact SG-O 2.98Å; V933-A942 HydrophobicContact CG1-CB 4.05Å; V933-A942 HydrophobicContact CG2-CB 4.15Å; A942-D944 PolarHBondContact O-N 3.27Å; A942-W945 PolarHBondContact O-N 3.42Å; A942-A946 WeakPolarHBondContact O-CB 3.46Å; A942-A946 PolarHBondContact O-N 3.27Å; A942-A961 WeakPolarHBondContact CB-O 3.16Å; A942-A961 PolarHBondContact N-O 3.17Å; A942-L962 VanDerWaalsContact CB-C 3.46Å; A942-L962 WeakPolarHBondContact CB-O 3.39Å; A942-A964 VanDerWaalsContact C-CB 3.49Å; A942-A964 HydrophobicContact CB-CB 4.07Å; A942-A964 VanDerWaalsContact O-CB 3.3Å; A942-A964 WeakPolarHBondContact O-CB 3.47Å
943	S	92.6	Very high	88	Confident	28 Å²	28	53.8 Å²	53.8	20%	0.196	28%	0.282	C	S	.	.	H	α-helix	trans	-57.1	-47.5	175.2	52.4	0	0	0	0	112.2	A941 W945 A946 V947 S960	A941-S943 VanDerWaalsContact C-N 3.28Å; A941-S943 PolarHBondContact O-N 3.17Å; S943-W945 VanDerWaalsContact C-N 3.34Å; S943-A946 PolarHBondContact O-N 3.49Å; S943-V947 WeakPolarHBondContact O-CB 3.36Å; S943-V947 WeakPolarHBondContact O-CG2 3.37Å; S943-V947 PolarHBondContact O-N 2.97Å; S943-S960 PolarHBondContact N-O 2.88Å
944	D	92.4	Very high	87.7	Confident	99 Å²	99	57.1 Å²	57.1	53%	0.529	32%	0.317	S	S	.	.	H	α-helix	trans	-68.4	-40.2	-176.8	-64	-6.7	0	0	0	110.6	A941 A942 V947 A948	A941-D944 HydrophobicContact CB-CB 4.31Å; A941-D944 PolarHBondContact O-N 3.43Å; A941-D944 VanDerWaalsContact O-N 3.14Å; A942-D944 PolarHBondContact O-N 3.27Å; D944-V947 PolarHBondContact O-N 2.92Å; D944-A948 WeakPolarHBondContact O-CB 3.2Å; D944-A948 PolarHBondContact O-N 3.4Å
945	W	94.3	Very high	87.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-49.3	177.1	-165.1	18.5	0	0	0	112	L886 V888 H914 M916 C931 V933 L940 A941 A942 S943 V947 A948 V949 A980 F983 A984	L886-W945 HydrophobicContact CD1-CH2 3.68Å; L886-W945 HydrophobicContact CD1-CZ2 3.87Å; V888-W945 HydrophobicContact CG2-CH2 4Å; V888-W945 HydrophobicContact CG2-CZ2 3.55Å; H914-W945 HydrophobicContact CB-CH2 4.16Å; H914-W945 HydrophobicContact CB-CZ3 4.09Å; M916-W945 HydrophobicContact CB-CD2 4.35Å; M916-W945 HydrophobicContact CB-CE3 4.19Å; M916-W945 HydrophobicContact CB-CH2 3.38Å; M916-W945 HydrophobicContact CB-CZ2 3.55Å; M916-W945 HydrophobicContact CB-CZ3 3.72Å; M916-W945 HydrophobicContact CE-CB 4.09Å; M916-W945 HydrophobicContact CE-CD2 3.46Å; M916-W945 VanDerWaalsContact CE-CD2 3.46Å; M916-W945 HydrophobicContact CE-CE3 4.01Å; M916-W945 HydrophobicContact CE-CG 3.47Å; M916-W945 VanDerWaalsContact CE-CG 3.47Å; M916-W945 HydrophobicContact CE-CZ2 4.48Å; M916-W945 HydrophobicContact SD-CD2 4.31Å; M916-W945 HydrophobicContact SD-CZ2 4.31Å; C931-W945 HydrophobicContact CB-CE3 3.84Å; C931-W945 HydrophobicContact CB-CZ3 4.06Å; V933-W945 HydrophobicContact CG1-CE3 4.09Å; V933-W945 HydrophobicContact CG1-CZ3 4.36Å; L940-W945 HydrophobicContact CD1-CB 4.04Å; L940-W945 HydrophobicContact CD1-CG 4.31Å; L940-W945 HydrophobicContact CD2-CD2 3.91Å; L940-W945 HydrophobicContact CD2-CE3 3.96Å; L940-W945 HydrophobicContact CD2-CG 4.2Å; L940-W945 HydrophobicContact CD2-CZ3 4.45Å; L940-W945 HydrophobicContact CG-CB 4.39Å; A941-W945 PolarHBondContact O-N 3.22Å; A942-W945 PolarHBondContact O-N 3.42Å; S943-W945 VanDerWaalsContact C-N 3.34Å; W945-V947 PolarHBondContact O-N 2.91Å; W945-A948 PolarHBondContact O-N 2.53Å; W945-V949 VanDerWaalsContact O-CG2 3.31Å; W945-V949 WeakPolarHBondContact O-CG2 3.32Å; W945-V949 PolarHBondContact O-N 2.88Å; W945-V949 VanDerWaalsContact O-N 3.14Å; W945-A980 PolarHBondContact NE1-O 2.88Å; W945-F983 HydrophobicContact CB-CE1 4.46Å; W945-F983 AromaticContact CD1-CD1 3.52Å; W945-F983 HydrophobicContact CG-CD1 4.3Å; W945-A984 HydrophobicContact CH2-CB 4.44Å; W945-A984 HydrophobicContact CZ2-CB 3.73Å
946	A	94.7	Very high	88.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.9	-38.9	178.3	0	0	0	0	0	112.3	A942 S943 C950 A957 A964	A942-A946 WeakPolarHBondContact O-CB 3.46Å; A942-A946 PolarHBondContact O-N 3.27Å; S943-A946 PolarHBondContact O-N 3.49Å; A946-C950 VanDerWaalsContact O-CB 3.26Å; A946-C950 WeakPolarHBondContact O-CB 3.16Å; A946-C950 PolarHBondContact O-N 3.42Å; A946-C950 PolarHBondContact O-SG 3.14Å; A946-A957 HydrophobicContact CB-CB 3.75Å; A946-A957 WeakPolarHBondContact O-CB 3.38Å; A946-A964 HydrophobicContact CB-CB 3.65Å
947	V	95	Very high	89	Confident	48 Å²	48	49.3 Å²	49.3	29%	0.291	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-46	177.4	167.5	0	0	0	0	111.1	S943 D944 W945 V949 R951 A957	S943-V947 WeakPolarHBondContact O-CB 3.36Å; S943-V947 WeakPolarHBondContact O-CG2 3.37Å; S943-V947 PolarHBondContact O-N 2.97Å; D944-V947 PolarHBondContact O-N 2.92Å; W945-V947 PolarHBondContact O-N 2.91Å; V947-V949 VanDerWaalsContact C-N 3.35Å; V947-V949 PolarHBondContact O-N 3.09Å; V947-R951 WeakPolarHBondContact O-CB 3.2Å; V947-R951 PolarHBondContact O-N 3.04Å; V947-A957 HydrophobicContact CG2-CB 4.07Å
948	A	92.8	Very high	89.6	Confident	17 Å²	17	49.9 Å²	49.9	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-59.8	-46.1	178.8	0	0	0	0	0	111.6	D944 W945 R952 F979 F983	D944-A948 WeakPolarHBondContact O-CB 3.2Å; D944-A948 PolarHBondContact O-N 3.4Å; W945-A948 PolarHBondContact O-N 2.53Å; A948-R952 PolarHBondContact O-N 2.96Å; A948-F979 HydrophobicContact CB-CE1 4.19Å; A948-F979 HydrophobicContact CB-CZ 4.49Å; A948-F983 HydrophobicContact CB-CD1 4.47Å; A948-F983 HydrophobicContact CB-CD2 3.82Å; A948-F983 HydrophobicContact CB-CE1 4.17Å; A948-F983 HydrophobicContact CB-CE2 3.48Å; A948-F983 VanDerWaalsContact CB-CE2 3.48Å; A948-F983 HydrophobicContact CB-CG 4.3Å; A948-F983 HydrophobicContact CB-CZ 3.66Å
949	V	93.5	Very high	90.8	Very high	0 Å²	0	46 Å²	46	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.4	-43.9	-178.7	176.2	0	0	0	0	111.6	M916 L918 W945 V947 R951 R952 L953 F979 A980	M916-V949 HydrophobicContact CE-CB 4.4Å; M916-V949 HydrophobicContact CE-CG2 4.08Å; M916-V949 HydrophobicContact SD-CB 4.19Å; M916-V949 HydrophobicContact SD-CG1 4.13Å; M916-V949 HydrophobicContact SD-CG2 3.78Å; L918-V949 HydrophobicContact CD1-CG1 4.49Å; L918-V949 HydrophobicContact CD2-CG1 4.2Å; W945-V949 VanDerWaalsContact O-CG2 3.31Å; W945-V949 WeakPolarHBondContact O-CG2 3.32Å; W945-V949 PolarHBondContact O-N 2.88Å; W945-V949 VanDerWaalsContact O-N 3.14Å; V947-V949 VanDerWaalsContact C-N 3.35Å; V947-V949 PolarHBondContact O-N 3.09Å; V949-R951 PolarHBondContact O-N 3.41Å; V949-R952 WeakPolarHBondContact O-CB 3.38Å; V949-R952 PolarHBondContact O-N 2.88Å; V949-L953 HydrophobicContact CG1-CD1 4.26Å; V949-L953 WeakPolarHBondContact O-CG 3.42Å; V949-L953 PolarHBondContact O-N 3.37Å; V949-L953 VanDerWaalsContact O-N 3.16Å; V949-F979 HydrophobicContact CG2-CD1 4.13Å; V949-F979 HydrophobicContact CG2-CE1 4.29Å; V949-A980 HydrophobicContact CG1-CB 4.24Å; V949-A980 HydrophobicContact CG2-CB 3.52Å
950	C	93.4	Very high	91.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-68	-35.2	178.2	-67.1	0	0	0	0	112.2	A946 R952 L953 G954 G955 A957	A946-C950 VanDerWaalsContact O-CB 3.26Å; A946-C950 WeakPolarHBondContact O-CB 3.16Å; A946-C950 PolarHBondContact O-N 3.42Å; A946-C950 PolarHBondContact O-SG 3.14Å; C950-R952 VanDerWaalsContact C-N 3.28Å; C950-R952 PolarHBondContact O-N 3.43Å; C950-L953 CarbonylContact O-C 3.11Å; C950-L953 VanDerWaalsContact O-C 3.29Å; C950-L953 WeakPolarHBondContact O-CA 3.43Å; C950-L953 WeakPolarHBondContact O-CB 3.33Å; C950-L953 PolarHBondContact O-N 3.25Å; C950-G954 PolarHBondContact O-N 2.92Å; C950-G955 CarbonylContact C-O 3.24Å; C950-G955 VanDerWaalsContact C-O 3.29Å; C950-G955 CarbonylContact O-C 3.57Å; C950-G955 WeakPolarHBondContact O-CA 3.47Å; C950-G955 PolarHBondContact O-N 2.87Å; C950-A957 HydrophobicContact CB-CB 3.99Å
951	R	92.1	Very high	91.6	Very high	184 Å²	184	49.4 Å²	49.4	69%	0.694	31%	0.31	S	S	*	.	H	α-helix	trans	-60.7	-39.5	174.2	-173.7	-176.4	-65.7	164.1	-0	111.5	V947 V949 L953 G954 G955	V947-R951 WeakPolarHBondContact O-CB 3.2Å; V947-R951 PolarHBondContact O-N 3.04Å; V949-R951 PolarHBondContact O-N 3.41Å; R951-L953 VanDerWaalsContact C-N 3.28Å; R951-L953 PolarHBondContact O-N 3.16Å; R951-G954 PolarHBondContact O-N 2.88Å; R951-G955 PolarHBondContact N-O 2.99Å
952	R	89.7	Confident	91.6	Very high	149 Å²	149	50.8 Å²	50.8	56%	0.562	31%	0.314	S	S	*	.	H	α-helix	trans	-65.3	-33.4	175	-170.7	64	175.7	152.5	0.4	112.1	A948 V949 C950 G954 E975 F979	A948-R952 PolarHBondContact O-N 2.96Å; V949-R952 WeakPolarHBondContact O-CB 3.38Å; V949-R952 PolarHBondContact O-N 2.88Å; C950-R952 VanDerWaalsContact C-N 3.28Å; C950-R952 PolarHBondContact O-N 3.43Å; R952-G954 PolarHBondContact O-N 3.09Å; R952-E975 IonicContact CZ-OE1 2.62Å; R952-E975 IonicContact NE-OE1 3.62Å; R952-E975 IonicContact NH2-OE1 3.95Å; R952-E975 PolarHBondContact NH2-OE1 2.79Å; R952-F979 HydrophobicContact CB-CD1 4.31Å; R952-F979 HydrophobicContact CB-CE1 4.36Å; R952-F979 HydrophobicContact CG-CD1 4.44Å; R952-F979 HydrophobicContact CG-CG 4.48Å
953	L	90.6	Very high	91.7	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.047	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	12.3	172	-65.3	167.2	0	0	0	113.3	V927 V949 C950 R951 G955 S969 A976	V927-L953 HydrophobicContact CB-CD1 4.17Å; V927-L953 HydrophobicContact CG1-CD1 3.89Å; V927-L953 HydrophobicContact CG2-CD2 4.45Å; V949-L953 HydrophobicContact CG1-CD1 4.26Å; V949-L953 WeakPolarHBondContact O-CG 3.42Å; V949-L953 PolarHBondContact O-N 3.37Å; V949-L953 VanDerWaalsContact O-N 3.16Å; C950-L953 CarbonylContact O-C 3.11Å; C950-L953 VanDerWaalsContact O-C 3.29Å; C950-L953 WeakPolarHBondContact O-CA 3.43Å; C950-L953 WeakPolarHBondContact O-CB 3.33Å; C950-L953 PolarHBondContact O-N 3.25Å; R951-L953 VanDerWaalsContact C-N 3.28Å; R951-L953 PolarHBondContact O-N 3.16Å; L953-G955 VanDerWaalsContact C-N 3.28Å; L953-G955 PolarHBondContact O-N 3.1Å; L953-S969 PolarHBondContact O-N 3.34Å; L953-A976 HydrophobicContact CD1-CB 4.31Å; L953-A976 HydrophobicContact CD2-CB 3.6Å; L953-A976 HydrophobicContact CG-CB 4.01Å
954	G	88.2	Confident	91.8	Very high	75 Å²	75	51.5 Å²	51.5	77%	0.773	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	27.5	-179.7	0	0	0	0	0	114.6	C950 R951 R952	C950-G954 PolarHBondContact O-N 2.92Å; R951-G954 PolarHBondContact O-N 2.88Å; R952-G954 PolarHBondContact O-N 3.09Å
955	G	90.5	Very high	92	Very high	16 Å²	16	53.5 Å²	53.5	17%	0.165	32%	0.321	C	S	.	.			trans	-136.1	-171.8	-175.4	0	0	0	0	0	114.6	C950 R951 L953 T967	C950-G955 CarbonylContact C-O 3.24Å; C950-G955 VanDerWaalsContact C-O 3.29Å; C950-G955 CarbonylContact O-C 3.57Å; C950-G955 WeakPolarHBondContact O-CA 3.47Å; C950-G955 PolarHBondContact O-N 2.87Å; R951-G955 PolarHBondContact N-O 2.99Å; L953-G955 VanDerWaalsContact C-N 3.28Å; L953-G955 PolarHBondContact O-N 3.1Å; G955-T967 CarbonylContact C-O 3.56Å; G955-T967 VanDerWaalsContact CA-O 3.25Å; G955-T967 WeakPolarHBondContact CA-O 3.42Å
956	N	91.5	Very high	91.9	Very high	137 Å²	137	53.9 Å²	53.9	73%	0.733	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.1	-172.5	-68.8	-33.2	0	0	0	111.7	G966 T967	N956-G966 VanDerWaalsContact O-CA 3.29Å; N956-G966 WeakPolarHBondContact O-CA 3.43Å; N956-T967 PolarHBondContact N-O 3.37Å; N956-T967 PolarHBondContact O-N 2.93Å
957	A	91.9	Very high	91.9	Very high	27 Å²	27	56.7 Å²	56.7	22%	0.223	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	159.2	176	0	0	0	0	0	111.3	A946 V947 C950 K965	A946-A957 HydrophobicContact CB-CB 3.75Å; A946-A957 WeakPolarHBondContact O-CB 3.38Å; V947-A957 HydrophobicContact CG2-CB 4.07Å; C950-A957 HydrophobicContact CB-CB 3.99Å; A957-K965 WeakPolarHBondContact CA-O 3.49Å; A957-K965 WeakPolarHBondContact CB-O 3.41Å
958	G	87.1	Confident	91.7	Very high	44 Å²	44	54.8 Å²	54.8	45%	0.454	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	152.2	175.8	0	0	0	0	0	111.6	K965	G958-K965 PolarHBondContact N-O 3.5Å; G958-K965 PolarHBondContact O-N 3.04Å
959	G	89.8	Confident	91.6	Very high	51 Å²	51	57.6 Å²	57.6	53%	0.526	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	169	-171.8	-175.4	0	0	0	0	0	112.9	V963	G959-V963 CarbonylContact C-O 3.51Å; G959-V963 WeakPolarHBondContact CA-O 3.48Å
960	S	91.2	Very high	91.3	Very high	63 Å²	63	59.2 Å²	59.2	44%	0.441	36%	0.362	S	S	.	.			trans	-96	175.6	172	64	0	0	0	0	110.5	S943 L962 V963	S943-S960 PolarHBondContact N-O 2.88Å; S960-L962 PolarHBondContact O-N 3.41Å; S960-L962 PolarHBondContact OG-N 3.47Å; S960-V963 PolarHBondContact N-O 3.16Å; S960-V963 PolarHBondContact OG-N 3.32Å; S960-V963 VanDerWaalsContact OG-N 3.09Å; S960-V963 PolarHBondContact OG-O 3.14Å
961	A	89	Confident	90.7	Very high	65 Å²	65	64.8 Å²	64.8	54%	0.537	40%	0.401	S	S	.	.	S	Bend	trans	-58.6	-26.7	170	0	0	0	0	0	112.8	V933 A941 A942	V933-A961 WeakPolarHBondContact CG2-O 3.34Å; A941-A961 HydrophobicContact CB-CB 4.31Å; A942-A961 WeakPolarHBondContact CB-O 3.16Å; A942-A961 PolarHBondContact N-O 3.17Å
962	L	91.5	Very high	90.2	Very high	55 Å²	55	60.1 Å²	60.1	29%	0.288	39%	0.391	S	S	.	.	S	Bend	trans	-90.8	-40.8	-176.6	-172.8	69.6	0	0	0	113.6	Q932 V933 K935 A942 S960	Q932-L962 VanDerWaalsContact CA-O 3.28Å; Q932-L962 WeakPolarHBondContact CA-O 3.26Å; V933-L962 PolarHBondContact N-O 3.11Å; V933-L962 WeakPolarHBondContact O-CD1 3.49Å; K935-L962 HydrophobicContact CB-CD1 4.28Å; K935-L962 HydrophobicContact CG-CD1 3.72Å; K935-L962 HydrophobicContact CG-CD2 4.28Å; A942-L962 VanDerWaalsContact CB-C 3.46Å; A942-L962 WeakPolarHBondContact CB-O 3.39Å; S960-L962 PolarHBondContact O-N 3.41Å; S960-L962 PolarHBondContact OG-N 3.47Å
963	V	94.2	Very high	90.3	Very high	41 Å²	41	53.9 Å²	53.9	25%	0.248	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	132.4	-172.2	168	0	0	0	0	109.7	M900 C931 Q932 G959 S960	M900-V963 HydrophobicContact CE-CB 4.43Å; M900-V963 HydrophobicContact CE-CG1 3.28Å; M900-V963 HydrophobicContact CE-CG2 4.41Å; M900-V963 HydrophobicContact SD-CG1 3.81Å; C931-V963 WeakPolarHBondContact O-CA 3.2Å; Q932-V963 HydrophobicContact CB-CG2 4.05Å; Q932-V963 HydrophobicContact CG-CG2 3.76Å; G959-V963 CarbonylContact C-O 3.51Å; G959-V963 WeakPolarHBondContact CA-O 3.48Å; S960-V963 PolarHBondContact N-O 3.16Å; S960-V963 PolarHBondContact OG-N 3.32Å; S960-V963 VanDerWaalsContact OG-N 3.09Å; S960-V963 PolarHBondContact OG-O 3.14Å
964	A	94.8	Very high	90.2	Very high	2 Å²	2	57.7 Å²	57.7	2%	0.017	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	159.1	175.3	0	0	0	0	0	113.2	A930 C931 A942 A946	A930-A964 WeakPolarHBondContact CA-O 3.47Å; C931-A964 PolarHBondContact N-O 2.88Å; C931-A964 PolarHBondContact O-N 3.14Å; A942-A964 VanDerWaalsContact C-CB 3.49Å; A942-A964 HydrophobicContact CB-CB 4.07Å; A942-A964 VanDerWaalsContact O-CB 3.3Å; A942-A964 WeakPolarHBondContact O-CB 3.47Å; A946-A964 HydrophobicContact CB-CB 3.65Å
965	K	95.3	Very high	90.1	Very high	140 Å²	140	58.6 Å²	58.6	61%	0.609	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.3	175.9	64.1	-177.1	-179.7	-179	0	110.8	M900 C929 A957 G958	M900-K965 HydrophobicContact SD-CB 4.49Å; C929-K965 CarbonylContact O-C 3.58Å; C929-K965 WeakPolarHBondContact O-CA 3.36Å; A957-K965 WeakPolarHBondContact CA-O 3.49Å; A957-K965 WeakPolarHBondContact CB-O 3.41Å; G958-K965 PolarHBondContact N-O 3.5Å; G958-K965 PolarHBondContact O-N 3.04Å
966	G	93.1	Very high	90	Very high	8 Å²	8	58.1 Å²	58.1	8%	0.082	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	174.7	179.4	0	0	0	0	0	113.2	C929 N956	C929-G966 PolarHBondContact N-O 3.45Å; C929-G966 PolarHBondContact O-N 3.24Å; N956-G966 VanDerWaalsContact O-CA 3.29Å; N956-G966 WeakPolarHBondContact O-CA 3.43Å
967	T	94	Very high	90.1	Very high	60 Å²	60	53.2 Å²	53.2	37%	0.368	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	134.7	-179.7	66.3	0	0	0	0	109.6	V927 F928 G955 N956	V927-T967 CarbonylContact O-C 3.49Å; V927-T967 WeakPolarHBondContact O-CA 3.34Å; F928-T967 HydrophobicContact CD1-CG2 3.73Å; F928-T967 HydrophobicContact CE1-CG2 3.95Å; G955-T967 CarbonylContact C-O 3.56Å; G955-T967 VanDerWaalsContact CA-O 3.25Å; G955-T967 WeakPolarHBondContact CA-O 3.42Å; N956-T967 PolarHBondContact N-O 3.37Å; N956-T967 PolarHBondContact O-N 2.93Å
968	G	91.8	Very high	90.1	Very high	8 Å²	8	59.4 Å²	59.4	8%	0.082	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	-165.1	170	0	0	0	0	0	111.3	V927	V927-G968 PolarHBondContact N-O 3.2Å; V927-G968 PolarHBondContact O-N 3.24Å
969	S	89.8	Confident	90.3	Very high	75 Å²	75	60.5 Å²	60.5	52%	0.524	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	135.7	179.6	-169.4	0	0	0	0	110.2	G925 L953	G925-S969 CarbonylContact O-C 3.29Å; G925-S969 VanDerWaalsContact O-CA 3.23Å; G925-S969 WeakPolarHBondContact O-CA 3.33Å; G925-S969 PolarHBondContact O-OG 2.62Å; L953-S969 PolarHBondContact O-N 3.34Å
970	S	87.4	Confident	90.5	Very high	34 Å²	34	58.1 Å²	58.1	24%	0.238	33%	0.329	C	S	.	.			trans	-159.5	148.6	172.2	-170.5	0	0	0	0	110.9	H920 G925 D972	H920-S970 PolarHBondContact NE2-O 3.32Å; H920-S970 VanDerWaalsContact NE2-O 3.07Å; G925-S970 PolarHBondContact O-N 2.96Å; S970-D972 WeakPolarHBondContact CB-O 3.45Å; S970-D972 PolarHBondContact OG-N 2.95Å; S970-D972 PolarHBondContact OG-O 2.73Å
971	S	80.3	Confident	90.5	Very high	117 Å²	117	60.2 Å²	60.2	82%	0.818	33%	0.33	S	S	*	.	S	Bend	trans	-76.7	-24.3	169.5	53.2	0	0	0	0	112.6	H920	H920-S971 PolarHBondContact CE1-O 3.03Å
972	D	83.6	Confident	90.6	Very high	87 Å²	87	60.5 Å²	60.5	47%	0.465	32%	0.323	S	S	.	.			trans	-141.5	133.6	175.5	-177.6	11.1	0	0	0	110.7	S970 T974	S970-D972 WeakPolarHBondContact CB-O 3.45Å; S970-D972 PolarHBondContact OG-N 2.95Å; S970-D972 PolarHBondContact OG-O 2.73Å; D972-T974 WeakPolarHBondContact OD1-CB 3.46Å; D972-T974 PolarHBondContact OD1-N 3.26Å; D972-T974 PolarHBondContact OD1-OG1 2.94Å; D972-T974 WeakPolarHBondContact OD2-CB 3.38Å; D972-T974 PolarHBondContact OD2-OG1 3.3Å
973	I	90.1	Very high	90.6	Very high	17 Å²	17	60 Å²	60	9%	0.087	32%	0.318	C	S	.	.			trans	-95.4	-3.7	-179.9	58.8	165.3	0	0	0	113.4	A890 H920 V927 E975 A976 L977	A890-I973 HydrophobicContact CB-CD1 3.61Å; H920-I973 HydrophobicContact CB-CD1 3.95Å; H920-I973 HydrophobicContact CB-CG1 4.33Å; H920-I973 HydrophobicContact CB-CG2 3.75Å; V927-I973 HydrophobicContact CB-CG2 4.41Å; V927-I973 HydrophobicContact CG1-CG2 3.88Å; V927-I973 HydrophobicContact CG2-CG2 3.57Å; I973-E975 VanDerWaalsContact C-N 3.34Å; I973-E975 PolarHBondContact O-N 3.15Å; I973-A976 PolarHBondContact O-N 3.34Å; I973-A976 VanDerWaalsContact O-N 3.12Å; I973-L977 HydrophobicContact CD1-CD1 4.13Å; I973-L977 HydrophobicContact CG1-CD1 4.28Å; I973-L977 WeakPolarHBondContact O-CG 3.11Å; I973-L977 PolarHBondContact O-N 3.04Å
974	T	88.8	Confident	90.3	Very high	90 Å²	90	58.1 Å²	58.1	55%	0.552	31%	0.307	S	S	*	.	H	α-helix	trans	-58.5	-45.1	-176.5	-54.3	0	0	0	0	112	D972 A976 L977 R978	D972-T974 WeakPolarHBondContact OD1-CB 3.46Å; D972-T974 PolarHBondContact OD1-N 3.26Å; D972-T974 PolarHBondContact OD1-OG1 2.94Å; D972-T974 WeakPolarHBondContact OD2-CB 3.38Å; D972-T974 PolarHBondContact OD2-OG1 3.3Å; T974-A976 VanDerWaalsContact C-N 3.34Å; T974-A976 PolarHBondContact O-N 2.67Å; T974-L977 PolarHBondContact O-N 3.16Å; T974-R978 PolarHBondContact O-N 3.5Å; T974-R978 VanDerWaalsContact O-N 3.11Å
975	E	86	Confident	89.8	Confident	94 Å²	94	62.1 Å²	62.1	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-67.2	-36.4	177.7	-161.2	-169.9	158.9	0	0	112	R952 I973 R978 F979	R952-E975 IonicContact CZ-OE1 2.62Å; R952-E975 IonicContact NE-OE1 3.62Å; R952-E975 IonicContact NH2-OE1 3.95Å; R952-E975 PolarHBondContact NH2-OE1 2.79Å; I973-E975 VanDerWaalsContact C-N 3.34Å; I973-E975 PolarHBondContact O-N 3.15Å; E975-R978 PolarHBondContact O-N 3.42Å; E975-F979 WeakPolarHBondContact O-CB 3.38Å; E975-F979 PolarHBondContact O-N 3.4Å
976	A	89.8	Confident	89.2	Confident	5 Å²	5	63.8 Å²	63.8	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-70	-38.2	178.6	0	0	0	0	0	112.5	L918 L953 I973 T974 F979 A980	L918-A976 HydrophobicContact CD1-CB 3.97Å; L953-A976 HydrophobicContact CD1-CB 4.31Å; L953-A976 HydrophobicContact CD2-CB 3.6Å; L953-A976 HydrophobicContact CG-CB 4.01Å; I973-A976 PolarHBondContact O-N 3.34Å; I973-A976 VanDerWaalsContact O-N 3.12Å; T974-A976 VanDerWaalsContact C-N 3.34Å; T974-A976 PolarHBondContact O-N 2.67Å; A976-F979 PolarHBondContact O-N 3.12Å; A976-A980 VanDerWaalsContact O-CB 3.24Å; A976-A980 WeakPolarHBondContact O-CB 3.37Å; A976-A980 PolarHBondContact O-N 3.35Å
977	L	92.5	Very high	88	Confident	35 Å²	35	68.4 Å²	68.4	18%	0.183	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-43.8	173.1	-71.1	168.9	0	0	0	111.4	V888 A890 L918 I973 T974 A980 K981	V888-L977 HydrophobicContact CG1-CD2 4.01Å; A890-L977 HydrophobicContact CB-CD1 4.11Å; L918-L977 HydrophobicContact CB-CD2 4.11Å; L918-L977 HydrophobicContact CD1-CD2 3.72Å; L918-L977 HydrophobicContact CD1-CG 4Å; L918-L977 HydrophobicContact CG-CD2 3.86Å; I973-L977 HydrophobicContact CD1-CD1 4.13Å; I973-L977 HydrophobicContact CG1-CD1 4.28Å; I973-L977 WeakPolarHBondContact O-CG 3.11Å; I973-L977 PolarHBondContact O-N 3.04Å; T974-L977 PolarHBondContact O-N 3.16Å; L977-A980 PolarHBondContact O-N 3.25Å; L977-K981 PolarHBondContact O-N 2.93Å
978	R	91.1	Very high	86.1	Confident	156 Å²	156	71.3 Å²	71.3	59%	0.589	36%	0.362	S	S	*	.	H	α-helix	trans	-61.6	-48.9	175.9	-174.1	179.6	64.1	175	-1.3	110.9	T974 E975 A980 K981 D982	T974-R978 PolarHBondContact O-N 3.5Å; T974-R978 VanDerWaalsContact O-N 3.11Å; E975-R978 PolarHBondContact O-N 3.42Å; R978-A980 PolarHBondContact O-N 3.03Å; R978-K981 PolarHBondContact O-N 3.4Å; R978-D982 VanDerWaalsContact O-CG 3.27Å; R978-D982 PolarHBondContact O-N 2.75Å
979	F	92.8	Very high	85.8	Confident	68 Å²	68	74.5 Å²	74.5	30%	0.298	38%	0.376	S	S	.	.	H	α-helix	trans	-59.6	-43.9	177.2	176.6	-95.6	0	0	0	112.4	A948 V949 R952 E975 A976 K981 D982 F983	A948-F979 HydrophobicContact CB-CE1 4.19Å; A948-F979 HydrophobicContact CB-CZ 4.49Å; V949-F979 HydrophobicContact CG2-CD1 4.13Å; V949-F979 HydrophobicContact CG2-CE1 4.29Å; R952-F979 HydrophobicContact CB-CD1 4.31Å; R952-F979 HydrophobicContact CB-CE1 4.36Å; R952-F979 HydrophobicContact CG-CD1 4.44Å; R952-F979 HydrophobicContact CG-CG 4.48Å; E975-F979 WeakPolarHBondContact O-CB 3.38Å; E975-F979 PolarHBondContact O-N 3.4Å; A976-F979 PolarHBondContact O-N 3.12Å; F979-K981 VanDerWaalsContact C-N 3.29Å; F979-K981 PolarHBondContact O-N 3.27Å; F979-D982 PolarHBondContact O-N 2.85Å; F979-F983 HydrophobicContact CE1-CD2 4.48Å; F979-F983 HydrophobicContact CZ-CD2 4.17Å; F979-F983 VanDerWaalsContact O-CB 3.28Å; F979-F983 WeakPolarHBondContact O-CB 3.45Å; F979-F983 PolarHBondContact O-N 3.07Å
980	A	92.6	Very high	85.6	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-59.5	-40.8	177.4	0	0	0	0	0	112	V888 M916 W945 V949 A976 L977 R978 A984	V888-A980 HydrophobicContact CG1-CB 3.76Å; M916-A980 HydrophobicContact SD-CB 3.66Å; W945-A980 PolarHBondContact NE1-O 2.88Å; V949-A980 HydrophobicContact CG1-CB 4.24Å; V949-A980 HydrophobicContact CG2-CB 3.52Å; A976-A980 VanDerWaalsContact O-CB 3.24Å; A976-A980 WeakPolarHBondContact O-CB 3.37Å; A976-A980 PolarHBondContact O-N 3.35Å; L977-A980 PolarHBondContact O-N 3.25Å; R978-A980 PolarHBondContact O-N 3.03Å; A980-A984 PolarHBondContact O-N 3.33Å
981	K	92.3	Very high	85.5	Confident	108 Å²	108	76.7 Å²	76.7	47%	0.47	38%	0.375	S	S	.	.	H	α-helix	trans	-67.6	-48	176	-168.9	177.4	179.8	-179.9	0	112	L886 V888 L977 R978 F979 F983 A984 L985	L886-K981 HydrophobicContact CD2-CG 3.93Å; V888-K981 HydrophobicContact CB-CB 4.33Å; V888-K981 HydrophobicContact CG2-CB 4.22Å; L977-K981 PolarHBondContact O-N 2.93Å; R978-K981 PolarHBondContact O-N 3.4Å; F979-K981 VanDerWaalsContact C-N 3.29Å; F979-K981 PolarHBondContact O-N 3.27Å; K981-F983 VanDerWaalsContact C-N 3.26Å; K981-F983 PolarHBondContact O-N 3.19Å; K981-A984 PolarHBondContact O-N 2.79Å; K981-L985 HydrophobicContact CG-CD1 4.13Å; K981-L985 WeakPolarHBondContact O-CG 3.48Å; K981-L985 PolarHBondContact O-N 2.84Å
982	D	90.6	Very high	85.8	Confident	70 Å²	70	74.4 Å²	74.4	37%	0.374	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-34.4	179	-65.7	-17	0	0	0	112	R978 F979 K986	R978-D982 VanDerWaalsContact O-CG 3.27Å; R978-D982 PolarHBondContact O-N 2.75Å; F979-D982 PolarHBondContact O-N 2.85Å; D982-K986 WeakPolarHBondContact O-CB 3.21Å; D982-K986 VanDerWaalsContact O-CG 3.26Å; D982-K986 WeakPolarHBondContact O-CG 3.38Å; D982-K986 PolarHBondContact O-N 3.35Å; D982-K986 VanDerWaalsContact O-N 3.14Å
983	F	91.1	Very high	85.9	Confident	46 Å²	46	73.6 Å²	73.6	20%	0.202	34%	0.342	C	S	.	.	H	α-helix	trans	-66.5	-42	177.2	-172.7	-86.6	0	0	0	111.8	L940 W945 A948 F979 K981 K987	L940-F983 HydrophobicContact CD1-CD1 4.05Å; L940-F983 HydrophobicContact CD1-CE1 3.77Å; W945-F983 HydrophobicContact CB-CE1 4.46Å; W945-F983 AromaticContact CD1-CD1 3.52Å; W945-F983 HydrophobicContact CG-CD1 4.3Å; A948-F983 HydrophobicContact CB-CD1 4.47Å; A948-F983 HydrophobicContact CB-CD2 3.82Å; A948-F983 HydrophobicContact CB-CE1 4.17Å; A948-F983 HydrophobicContact CB-CE2 3.48Å; A948-F983 VanDerWaalsContact CB-CE2 3.48Å; A948-F983 HydrophobicContact CB-CG 4.3Å; A948-F983 HydrophobicContact CB-CZ 3.66Å; F979-F983 HydrophobicContact CE1-CD2 4.48Å; F979-F983 HydrophobicContact CZ-CD2 4.17Å; F979-F983 VanDerWaalsContact O-CB 3.28Å; F979-F983 WeakPolarHBondContact O-CB 3.45Å; F979-F983 PolarHBondContact O-N 3.07Å; K981-F983 VanDerWaalsContact C-N 3.26Å; K981-F983 PolarHBondContact O-N 3.19Å; F983-K987 HydrophobicContact CE1-CG 4.41Å; F983-K987 WeakPolarHBondContact O-CG 3.4Å
984	A	87.7	Confident	85.7	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-67.3	-43.8	176.9	0	0	0	0	0	111.6	L886 L940 W945 A980 K981 K986 K987 E988	L886-A984 HydrophobicContact CD1-CB 3.56Å; L886-A984 HydrophobicContact CD2-CB 3.84Å; L886-A984 HydrophobicContact CG-CB 4.38Å; L940-A984 HydrophobicContact CD2-CB 3.77Å; W945-A984 HydrophobicContact CH2-CB 4.44Å; W945-A984 HydrophobicContact CZ2-CB 3.73Å; A980-A984 PolarHBondContact O-N 3.33Å; K981-A984 PolarHBondContact O-N 2.79Å; A984-K986 VanDerWaalsContact C-N 3.27Å; A984-K986 PolarHBondContact O-N 3.45Å; A984-K987 CarbonylContact O-C 3.56Å; A984-K987 PolarHBondContact O-N 2.7Å; A984-E988 PolarHBondContact O-N 3.28Å
985	L	85.4	Confident	85.4	Confident	87 Å²	87	76.4 Å²	76.4	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-67.3	-22	179.2	-69.8	171.2	0	0	0	114.5	L886 K981 K987	L886-L985 HydrophobicContact CD2-CD2 3.87Å; L886-L985 HydrophobicContact CD2-CG 3.77Å; K981-L985 HydrophobicContact CG-CD1 4.13Å; K981-L985 WeakPolarHBondContact O-CG 3.48Å; K981-L985 PolarHBondContact O-N 2.84Å; L985-K987 VanDerWaalsContact C-N 3.25Å
986	K	82	Confident	85.4	Confident	174 Å²	174	75.1 Å²	75.1	76%	0.757	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.9	173.3	-76.6	174.3	-177.7	178.8	0	113.1	D982 A984	D982-K986 WeakPolarHBondContact O-CB 3.21Å; D982-K986 VanDerWaalsContact O-CG 3.26Å; D982-K986 WeakPolarHBondContact O-CG 3.38Å; D982-K986 PolarHBondContact O-N 3.35Å; D982-K986 VanDerWaalsContact O-N 3.14Å; A984-K986 VanDerWaalsContact C-N 3.27Å; A984-K986 PolarHBondContact O-N 3.45Å
987	K	67.9	Low	85	Confident	106 Å²	106	80.9 Å²	80.9	46%	0.461	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-17.8	-172.7	-73.8	-73.3	-173.7	173.4	0	112.2	A939 L940 F983 A984 L985	A939-K987 CarbonylContact C-O 3.56Å; A939-K987 WeakPolarHBondContact CB-O 3.38Å; L940-K987 HydrophobicContact CB-CB 4.25Å; L940-K987 HydrophobicContact CD1-CB 3.89Å; L940-K987 HydrophobicContact CD1-CG 4.15Å; F983-K987 HydrophobicContact CE1-CG 4.41Å; F983-K987 WeakPolarHBondContact O-CG 3.4Å; A984-K987 CarbonylContact O-C 3.56Å; A984-K987 PolarHBondContact O-N 2.7Å; L985-K987 VanDerWaalsContact C-N 3.25Å
988	E	54.3	Low	84.3	Confident	121 Å²	121	85.1 Å²	85.1	57%	0.565	38%	0.379	S	S	*	.			trans	-66.2	0	154.3	-78.3	177.9	167.1	0	0	110.4	H914 A984	H914-E988 IonicContact CE1-OE1 3.3Å; H914-E988 PolarHBondContact CE1-OE1 3.47Å; H914-E988 IonicContact ND1-OE1 3.46Å; H914-E988 PolarHBondContact ND1-OE1 3.48Å; A984-E988 PolarHBondContact O-N 3.28Å

Retrieved 988 of 988 residues in 287.9 ms (Link to these results)

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