A0A096NY03_PAPAN Loading...

Histone acetyltransferase

(Microbial infection) In case of HIV-1 infection, it is recruited by the viral protein Tat. Regulates Tat's transactivating activity and may help inducing chromatin remodeling of proviral genes.

AlphaFold DB , UniProt , Accession A0A096NY03, Species PAPAN (Papio anubis, Olive baboon), Gene KAT2B, Length 832 aa.

						>A0A096NY03_PAPAN|A0A096NY03|KAT2B
MSEAGGAGPGGCGAGAGAGAGPGALPPQPVVLPPAPPQGSPCAAAAGGSGACGPATAVAAAGTAEGPGGGGSARIAVKKAQLRSAPRAKKLEKLGVYSACKAEESCKCNGWKNPNPSPTPPRADLQQIIVSLTESCRSCSHALAAHVSHLENVSEEEMNRLLGIVLDVEYLFTCVHKEEDADTKQVYFYLFKLLRKSILQRGKPVVEGSLEKKPPFEKPSIEQGVNNFVQYKFSHLPAKERQTIVELAKMFLNRINYWHLEAPSQRRLRSPNDDISGYKENYTRWLCYCNVPQFCDSLPRYETTQVFGRTLLRSVFTVMRRQLLEQARQEKDKLPLEKRTLILTHFPKFLSMLEEEVYSQNSPIWDQDFLSASSRTSQLGIQTVISPPPVAGTISYNSTSSSLEQSNAGSSSPACKASSGLEANPGEKRKMTDSHVLEEAKRPRVMGDIPMELINEVMSTITDPAAMLGPETNFLSAHSARDEAARLEERRGVIEFHVVGNSLNQKPNKKILMWLVGLQNVFSHQLPRMPKEYITRLVFDPKHKTLALIKDGRVIGGICFRMFPSQGFTEIVFCAVTSNEQVKGYGTHLMNHLKEYHIKHDILNFLTYADEYAIGYFKKQGFSKEIKIPKTKYVGYIKDYEGATLMGCELNPRIPYTEFSVIIKKQKEIIKKLIERKQAQIRKVYPGLSCFKDGVRQIPIESIPGIRETGWKPSGKEKSKEPRDPDQLYSTLKSILQQVKSHQSAWPFMEPVKRTEAPGYYEVIRFPMDLKTMSERLKNRYYVSKKLFMADLQRVFTNCKEYNPPESEYYKCANILEKFFFSKIKEAGLIDK
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	33.7	Very low	232 Å²	232	111.3 Å²	111.3	100%	1.143	83%	0.833	S	S	*	*				0	73.5	0	-65.9	176.2	178.9	0	0	107
2	S	31.6	Very low	33.4	Very low	86 Å²	86	114 Å²	114	60%	0.601	85%	0.845	S	S	*	*			cis	86.1	144.1	37.8	-53.3	0	0	0	0	112.9
3	E	34.4	Very low	33	Very low	174 Å²	174	111.6 Å²	111.6	81%	0.813	85%	0.846	S	S	*	*			cis	-173.9	167.5	-16.7	-113.9	115.5	57.4	0	0	106
4	A	35.7	Very low	33.1	Very low	99 Å²	99	111.7 Å²	111.7	82%	0.818	85%	0.852	S	S	*	*			cis	-155.2	-163.4	-9.9	0	0	0	0	0	106
5	G	33.5	Very low	32.8	Very low	78 Å²	78	109.8 Å²	109.8	80%	0.804	85%	0.852	S	S	*	*			cis	147.3	107.6	-6.4	0	0	0	0	0	113.2
6	G	31.5	Very low	32.8	Very low	85 Å²	85	110 Å²	110	88%	0.876	86%	0.857	S	S	*	*			trans	101.9	164	174.4	0	0	0	0	0	115.6
7	A	30.2	Very low	32.6	Very low	105 Å²	105	108.3 Å²	108.3	87%	0.868	86%	0.856	S	S	*	*			cis	-159.2	168.1	-7.3	0	0	0	0	0	111.5
8	G	29	Very low	32.6	Very low	70 Å²	70	108.6 Å²	108.6	72%	0.722	86%	0.86	S	S	*	*			trans	-102.2	-149.9	163.9	0	0	0	0	0	111.3
9	P	51.6	Low	32.5	Very low	137 Å²	137	107.1 Å²	107.1	89%	0.89	86%	0.858	S	S	*	*			cis	-140.4	-167.1	-4	43.9	-26.3	0	0	0	114.2
10	G	30	Very low	32.4	Very low	79 Å²	79	107.1 Å²	107.1	81%	0.814	86%	0.86	S	S	*	*			trans	120.5	139.4	143.3	0	0	0	0	0	118.8
11	G	28.6	Very low	32.3	Very low	79 Å²	79	105.5 Å²	105.5	81%	0.814	86%	0.855	S	S	*	*			trans	143.5	110.6	170.4	0	0	0	0	0	113.6
12	C	29.9	Very low	33	Very low	144 Å²	144	100.7 Å²	100.7	97%	0.973	84%	0.841	S	S	*	*			trans	-125.8	154	179.7	-72.7	0	0	0	0	111.6
13	G	29.1	Very low	32.9	Very low	83 Å²	83	100.2 Å²	100.2	86%	0.856	85%	0.85	S	S	*	*			trans	-170.3	120.3	170.6	0	0	0	0	0	110.9
14	A	33.4	Very low	32.8	Very low	113 Å²	113	97 Å²	97	93%	0.934	85%	0.853	S	S	*	*			trans	-133.4	153	-178	0	0	0	0	0	110.8
15	G	29.2	Very low	32.6	Very low	83 Å²	83	100.4 Å²	100.4	86%	0.856	86%	0.857	S	S	*	*			trans	-163.7	127.1	174.8	0	0	0	0	0	110.1
16	A	32.8	Very low	33.8	Very low	113 Å²	113	102 Å²	102	93%	0.934	85%	0.853	S	S	*	*			trans	-127	156.6	-176.9	0	0	0	0	0	110.7
17	G	28.8	Very low	34.2	Very low	81 Å²	81	104 Å²	104	84%	0.835	85%	0.851	S	S	*	*			trans	-164.7	128.8	174	0	0	0	0	0	110.4
18	A	33.9	Very low	34.2	Very low	113 Å²	113	108 Å²	108	93%	0.934	85%	0.851	S	S	*	*			trans	-131.3	155.4	-178.6	0	0	0	0	0	110.6
19	G	29	Very low	35.3	Very low	80 Å²	80	109.7 Å²	109.7	83%	0.825	85%	0.849	S	S	*	*			trans	-155.6	146.4	176.1	0	0	0	0	0	110.6
20	A	31.8	Very low	34.3	Very low	107 Å²	107	109.8 Å²	109.8	88%	0.884	85%	0.847	S	S	*	*			trans	-106.3	176.1	-171.5	0	0	0	0	0	113.3
21	G	29.6	Very low	34.3	Very low	74 Å²	74	112.4 Å²	112.4	76%	0.763	85%	0.847	S	S	*	*			trans	-79.5	-142.4	176.5	0	0	0	0	0	113.8
22	P	50	Low	34.3	Very low	131 Å²	131	116.2 Å²	116.2	85%	0.851	85%	0.848	S	S	*	*			cis	-143	173.9	15.9	43.3	-25.1	0	0	0	118
23	G	29.5	Very low	34.7	Very low	77 Å²	77	114.9 Å²	114.9	79%	0.794	84%	0.838	S	S	*	*				81.9	127.2	129.5	0	0	0	0	0	122.9
24	A	30.8	Very low	35.2	Very low	105 Å²	105	116.7 Å²	116.7	87%	0.868	83%	0.834	S	S	*	*			trans	-173.7	167.3	145.9	0	0	0	0	0	111.4
25	L	32.4	Very low	34.9	Very low	171 Å²	171	115.5 Å²	115.5	90%	0.895	82%	0.824	S	S	*	*			trans	-129.5	168.6	-172.7	-84.8	170.6	0	0	0	113.6
26	P	58.1	Low	35.4	Very low	111 Å²	111	117.2 Å²	117.2	72%	0.721	82%	0.82	S	S	*	*			trans	-106.5	179.2	-164.8	42	-37.9	0	0	0	115.8
27	P	41.4	Very low	35.8	Very low	129 Å²	129	117 Å²	117	84%	0.838	81%	0.809	S	S	*	*			trans	-128.7	-173.5	148.4	34.2	-18.2	0	0	0	114.4
28	Q	29.5	Very low	35.6	Very low	188 Å²	188	122.6 Å²	122.6	88%	0.879	81%	0.814	S	S	*	*			trans	-113.5	-128.9	-159	-62.7	179.8	30	0	0	116.9
29	P	51.4	Low	35.2	Very low	105 Å²	105	120.9 Å²	120.9	68%	0.682	81%	0.807	S	S	*	*				-133.1	171	-116.2	41.9	-22.2	0	0	0	117.9
30	V	30.2	Very low	35	Very low	139 Å²	139	122.9 Å²	122.9	84%	0.842	81%	0.808	S	S	*	*			trans	-147.1	106.2	167.5	-173.5	0	0	0	0	107.9
31	V	30	Very low	35.1	Very low	134 Å²	134	123.3 Å²	123.3	81%	0.812	80%	0.802	S	S	*	*				78.8	120	76.4	175.9	0	0	0	0	114.9
32	L	30.4	Very low	34.7	Very low	160 Å²	160	125.4 Å²	125.4	84%	0.838	80%	0.803	S	S	*	*			trans	-85.2	155.9	174.5	-83.5	160.3	0	0	0	111.5
33	P	38.2	Very low	33.4	Very low	116 Å²	116	124.1 Å²	124.1	75%	0.753	80%	0.804	S	S	*	*				-156.7	-161.1	86.9	39.6	-17.1	0	0	0	114.3
34	P	38.3	Very low	33.1	Very low	121 Å²	121	125.7 Å²	125.7	79%	0.786	81%	0.81	S	S	*	*				-127.6	-178.7	-54.2	35.1	-18	0	0	0	114.1
35	A	27.7	Very low	32.8	Very low	87 Å²	87	125.7 Å²	125.7	72%	0.719	81%	0.81	S	S	*	*			trans	-95.1	-179	159.4	0	0	0	0	0	109.9
36	P	39	Very low	32.3	Very low	119 Å²	119	122.9 Å²	122.9	77%	0.773	81%	0.811	S	S	*	*			cis	-141.7	-146	31.4	44.8	-21.5	0	0	0	111.6
37	P	41	Very low	30.5	Very low	108 Å²	108	121.4 Å²	121.4	70%	0.701	82%	0.816	S	S	*	*			cis	-133.9	163.3	-12.9	38.4	-19.6	0	0	0	118.3
38	Q	26.3	Very low	29.6	Very low	200 Å²	200	118.9 Å²	118.9	94%	0.935	81%	0.814	S	S	*	*			trans	38	122.9	146.1	-61.1	-175.8	11.7	0	0	122.3
39	G	25.5	Very low	29.3	Very low	76 Å²	76	116.2 Å²	116.2	78%	0.784	82%	0.816	S	S	*	*			trans	-172.2	133.1	158.7	0	0	0	0	0	112.7
40	S	24.5	Very low	27.9	Very low	123 Å²	123	115 Å²	115	86%	0.86	82%	0.822	S	S	*	*			trans	-148.7	158.1	175	-82.2	0	0	0	0	108
41	P	33.9	Very low	27.6	Very low	115 Å²	115	113.4 Å²	113.4	75%	0.747	82%	0.823	S	S	*	*			cis	-138.4	-157.5	21	38.9	-17.3	0	0	0	114.9
42	C	20.8	Very low	27.2	Very low	118 Å²	118	113.9 Å²	113.9	80%	0.797	83%	0.831	S	S	*	*			trans	85.7	90.6	158.7	-68.7	0	0	0	0	121.1
43	A	22.7	Very low	26.8	Very low	104 Å²	104	109.5 Å²	109.5	86%	0.86	82%	0.824	S	S	*	*				50.2	101.7	122.3	0	0	0	0	0	121.5
44	A	24	Very low	26.2	Very low	111 Å²	111	110.7 Å²	110.7	92%	0.917	83%	0.832	S	S	*	*			trans	-151	154.6	139.3	0	0	0	0	0	109.2
45	A	23	Very low	25.5	Very low	105 Å²	105	109.4 Å²	109.4	87%	0.868	83%	0.832	S	S	*	*			trans	-129.2	128.9	-174.2	0	0	0	0	0	113.2
46	A	21.8	Very low	25.2	Very low	111 Å²	111	111.7 Å²	111.7	92%	0.917	84%	0.837	S	S	*	*			trans	-166.4	148.8	165.9	0	0	0	0	0	112.6
47	G	21.8	Very low	24.4	Very low	80 Å²	80	110.9 Å²	110.9	83%	0.825	84%	0.84	S	S	*	*			trans	114	85	142.6	0	0	0	0	0	120.5
48	G	21.5	Very low	23.6	Very low	77 Å²	77	112.3 Å²	112.3	79%	0.794	85%	0.847	S	S	*	*			trans	69.1	169.5	158.4	0	0	0	0	0	116.7
49	S	22.7	Very low	23.5	Very low	132 Å²	132	107.1 Å²	107.1	92%	0.923	84%	0.838	S	S	*	*			cis	-163.4	154.5	-21.2	46.1	0	0	0	0	105.5
50	G	22.6	Very low	23.5	Very low	78 Å²	78	108.8 Å²	108.8	80%	0.804	84%	0.844	S	S	*	*			cis	156.8	123.2	6.8	0	0	0	0	0	107
51	A	25.1	Very low	23.5	Very low	106 Å²	106	107 Å²	107	88%	0.876	84%	0.837	S	S	*	*			trans	-159.8	138.9	174.8	0	0	0	0	0	110.1
52	C	21.1	Very low	23.2	Very low	144 Å²	144	104.6 Å²	104.6	97%	0.973	83%	0.833	S	S	*	*			trans	-114.1	133.2	-175.7	-69.4	0	0	0	0	112.2
53	G	21.4	Very low	23.4	Very low	68 Å²	68	103.7 Å²	103.7	70%	0.701	82%	0.824	S	S	*	*			trans	-156.6	137.7	169.6	0	0	0	0	0	109.2	A55	G53-A55 PolarHBondContact O-N 2.82Å
54	P	26.1	Very low	23.5	Very low	142 Å²	142	103.7 Å²	103.7	92%	0.922	82%	0.824	S	S	*	*			trans	-83.4	118.3	-158	30.4	-35.2	0	0	0	114.3
55	A	22.4	Very low	23.6	Very low	94 Å²	94	106.9 Å²	106.9	78%	0.777	82%	0.82	S	S	*	*			trans	-99.2	128	160.9	0	0	0	0	0	110.1	G53 A57	G53-A55 PolarHBondContact O-N 2.82Å; A55-A57 PolarHBondContact O-N 3.41Å; A55-A57 VanDerWaalsContact O-N 3.13Å
56	T	23	Very low	23.8	Very low	135 Å²	135	103.9 Å²	103.9	83%	0.828	80%	0.799	S	S	*	*			trans	-75	99.9	-179.8	36.2	0	0	0	0	111.6	V58	T56-V58 PolarHBondContact O-N 2.82Å
57	A	21.7	Very low	24.2	Very low	101 Å²	101	105.8 Å²	105.8	84%	0.835	80%	0.802	S	S	*	*			trans	-69	102	-179.4	0	0	0	0	0	112.5	A55 A59	A55-A57 PolarHBondContact O-N 3.41Å; A55-A57 VanDerWaalsContact O-N 3.13Å; A57-A59 PolarHBondContact O-N 3.37Å
58	V	24	Very low	24.9	Very low	138 Å²	138	103.9 Å²	103.9	84%	0.836	78%	0.783	S	S	*	*			trans	-78.2	101	168.2	-178.9	0	0	0	0	108.9	T56 A60	T56-V58 PolarHBondContact O-N 2.82Å; V58-A60 PolarHBondContact O-N 3.48Å
59	A	23	Very low	25.5	Very low	92 Å²	92	102.8 Å²	102.8	76%	0.76	77%	0.771	S	S	*	*			trans	-66.6	121.5	179.7	0	0	0	0	0	111.7	A57 A61	A57-A59 PolarHBondContact O-N 3.37Å; A59-A61 PolarHBondContact O-N 2.6Å; A59-A61 VanDerWaalsContact O-N 3.09Å
60	A	26.7	Very low	26.3	Very low	110 Å²	110	98.1 Å²	98.1	91%	0.909	74%	0.744	S	S	*	*			trans	-75.3	96.8	-179.8	0	0	0	0	0	111.7	V58	V58-A60 PolarHBondContact O-N 3.48Å
61	A	23.8	Very low	27.9	Very low	85 Å²	85	95.2 Å²	95.2	70%	0.702	71%	0.714	S	S	*	*			trans	-92.7	120.2	172.6	0	0	0	0	0	111	A59 T63	A59-A61 PolarHBondContact O-N 2.6Å; A59-A61 VanDerWaalsContact O-N 3.09Å; A61-T63 PolarHBondContact O-N 3.24Å
62	G	29	Very low	29.7	Very low	65 Å²	65	91.9 Å²	91.9	67%	0.67	69%	0.685	S	S	*	*			trans	-63	113.8	-177.7	0	0	0	0	0	113.8	K333	G62-K333 PolarHBondContact O-NZ 3.06Å
63	T	24.2	Very low	31.9	Very low	100 Å²	100	88 Å²	88	61%	0.613	66%	0.663	S	S	*	*			trans	-111.7	160.6	168.3	48	0	0	0	0	110.3	A61	A61-T63 PolarHBondContact O-N 3.24Å
64	A	23.9	Very low	34.4	Very low	103 Å²	103	93.5 Å²	93.5	85%	0.851	66%	0.662	S	S	*	*			trans	-71.2	140.6	-170.8	0	0	0	0	0	112.6	G66	A64-G66 PolarHBondContact O-N 3.21Å; A64-G66 VanDerWaalsContact O-N 3.14Å
65	E	27.2	Very low	36.9	Very low	179 Å²	179	87.3 Å²	87.3	84%	0.836	62%	0.621	S	S	*	*			trans	-72.4	104.9	-177.8	-63.8	-173.2	119.2	0	0	112
66	G	26.8	Very low	39.6	Very low	42 Å²	42	85.6 Å²	85.6	43%	0.433	61%	0.607	S	S	.	*			trans	-81.6	157.3	162.6	0	0	0	0	0	112	A64 G68 G69	A64-G66 PolarHBondContact O-N 3.21Å; A64-G66 VanDerWaalsContact O-N 3.14Å; G66-G68 VanDerWaalsContact C-N 3.26Å; G66-G68 PolarHBondContact O-N 2.74Å; G66-G69 PolarHBondContact O-N 3.26Å; G66-G69 VanDerWaalsContact O-N 3.14Å
67	P	30.2	Very low	42.5	Very low	151 Å²	151	83.1 Å²	83.1	98%	0.981	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-24.7	-165	-28.5	36.2	0	0	0	117.2
68	G	36.3	Very low	45.4	Very low	40 Å²	40	84.1 Å²	84.1	41%	0.412	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.5	-20	180	0	0	0	0	0	116.1	G66 G71 S72	G66-G68 VanDerWaalsContact C-N 3.26Å; G66-G68 PolarHBondContact O-N 2.74Å; G68-G71 PolarHBondContact O-N 3.09Å; G68-S72 PolarHBondContact O-N 3.06Å
69	G	34.2	Very low	48.2	Very low	54 Å²	54	77.7 Å²	77.7	56%	0.557	54%	0.538	S	S	*	.	H	α-helix	trans	-64.5	-53.8	-163	0	0	0	0	0	114	G66 G71	G66-G69 PolarHBondContact O-N 3.26Å; G66-G69 VanDerWaalsContact O-N 3.14Å; G69-G71 PolarHBondContact O-N 2.85Å
70	G	39.9	Very low	51.1	Low	34 Å²	34	76 Å²	76	35%	0.351	52%	0.524	S	S	.	.	H	α-helix	trans	-68.9	-11.5	178.5	0	0	0	0	0	114.5	R74	G70-R74 VanDerWaalsContact O-CD 3.27Å; G70-R74 WeakPolarHBondContact O-CD 3.49Å; G70-R74 VanDerWaalsContact O-CG 3.29Å; G70-R74 WeakPolarHBondContact O-CG 3.32Å; G70-R74 PolarHBondContact O-NE 2.89Å
71	G	56.2	Low	53.9	Low	17 Å²	17	76.6 Å²	76.6	18%	0.175	51%	0.508	C	S	.	.	H	α-helix	trans	-75.7	-56.4	175	0	0	0	0	0	111.9	G68 G69 A73 R74 I75	G68-G71 PolarHBondContact O-N 3.09Å; G69-G71 PolarHBondContact O-N 2.85Å; G71-A73 PolarHBondContact O-N 2.78Å; G71-R74 WeakPolarHBondContact O-CB 3.34Å; G71-R74 PolarHBondContact O-N 2.92Å; G71-I75 PolarHBondContact O-N 3.01Å; G71-I75 VanDerWaalsContact O-N 3.16Å
72	S	61.8	Low	56.7	Low	36 Å²	36	73.5 Å²	73.5	25%	0.252	48%	0.48	S	S	.	.	H	α-helix	trans	-52.7	-49.1	-174.4	-173.2	0	0	0	0	113.2	G68 R74 I75 A76 Q293 F294	G68-S72 PolarHBondContact O-N 3.06Å; S72-R74 VanDerWaalsContact C-N 3.27Å; S72-R74 PolarHBondContact O-N 3.4Å; S72-I75 WeakPolarHBondContact O-CB 3.48Å; S72-I75 PolarHBondContact O-N 3.4Å; S72-A76 PolarHBondContact O-N 2.84Å; S72-Q293 PolarHBondContact OG-O 3.45Å; S72-F294 WeakPolarHBondContact OG-CB 3.06Å
73	A	68.6	Low	59.3	Low	62 Å²	62	75 Å²	75	51%	0.512	47%	0.465	S	S	.	.	H	α-helix	trans	-59.4	-35.6	178.7	0	0	0	0	0	113.1	G71 A76 V77	G71-A73 PolarHBondContact O-N 2.78Å; A73-A76 PolarHBondContact O-N 3.06Å; A73-V77 WeakPolarHBondContact O-CG2 3.37Å; A73-V77 PolarHBondContact O-N 2.92Å; A73-V77 VanDerWaalsContact O-N 3.12Å
74	R	73.9	Confident	62.1	Low	183 Å²	183	74.8 Å²	74.8	69%	0.691	47%	0.468	S	S	*	.	H	α-helix	trans	-71.8	-31.6	176.8	-64.8	175	-172.4	-171.1	4	112	G70 G71 S72 K78	G70-R74 VanDerWaalsContact O-CD 3.27Å; G70-R74 WeakPolarHBondContact O-CD 3.49Å; G70-R74 VanDerWaalsContact O-CG 3.29Å; G70-R74 WeakPolarHBondContact O-CG 3.32Å; G70-R74 PolarHBondContact O-NE 2.89Å; G71-R74 WeakPolarHBondContact O-CB 3.34Å; G71-R74 PolarHBondContact O-N 2.92Å; S72-R74 VanDerWaalsContact C-N 3.27Å; S72-R74 PolarHBondContact O-N 3.4Å; R74-K78 WeakPolarHBondContact O-CG 3.47Å; R74-K78 PolarHBondContact O-N 3.19Å; R74-K78 VanDerWaalsContact O-N 3.1Å
75	I	78.4	Confident	65	Low	12 Å²	12	70.7 Å²	70.7	6%	0.062	43%	0.434	C	S	.	.	H	α-helix	trans	-66.8	-47	171.5	-48.9	163.6	0	0	0	109.8	G71 S72 V77 K78 K79 Y170 F294	G71-I75 PolarHBondContact O-N 3.01Å; G71-I75 VanDerWaalsContact O-N 3.16Å; S72-I75 WeakPolarHBondContact O-CB 3.48Å; S72-I75 PolarHBondContact O-N 3.4Å; I75-V77 VanDerWaalsContact C-N 3.32Å; I75-V77 PolarHBondContact O-N 2.97Å; I75-K78 CarbonylContact O-C 3.55Å; I75-K78 PolarHBondContact O-N 3.37Å; I75-K78 VanDerWaalsContact O-N 3.11Å; I75-K79 HydrophobicContact CG2-CD 4.08Å; I75-K79 HydrophobicContact CG2-CG 4.25Å; I75-K79 WeakPolarHBondContact O-CB 3.49Å; I75-K79 WeakPolarHBondContact O-CG 3.14Å; I75-K79 PolarHBondContact O-N 2.87Å; I75-Y170 HydrophobicContact CD1-CD1 3.38Å; I75-Y170 HydrophobicContact CD1-CD2 3.5Å; I75-Y170 HydrophobicContact CD1-CE1 3.64Å; I75-Y170 HydrophobicContact CD1-CE2 3.75Å; I75-Y170 HydrophobicContact CD1-CG 3.3Å; I75-Y170 HydrophobicContact CG1-CD1 4.39Å; I75-Y170 HydrophobicContact CG1-CD2 3.61Å; I75-Y170 HydrophobicContact CG1-CE2 3.97Å; I75-Y170 HydrophobicContact CG1-CG 3.83Å; I75-F294 HydrophobicContact CD1-CB 4.22Å
76	A	78.9	Confident	67.9	Low	58 Å²	58	66.8 Å²	66.8	48%	0.479	42%	0.424	S	S	.	.	H	α-helix	trans	-58.1	-43.5	-179.5	0	0	0	0	0	112	S72 A73 K79 A80	S72-A76 PolarHBondContact O-N 2.84Å; A73-A76 PolarHBondContact O-N 3.06Å; A76-K79 PolarHBondContact O-N 2.83Å; A76-A80 PolarHBondContact O-N 3.25Å
77	V	82.9	Confident	70.5	Confident	84 Å²	84	68.5 Å²	68.5	51%	0.509	42%	0.417	S	S	.	.	H	α-helix	trans	-63.1	-45.3	173.3	172.7	0	0	0	0	111.7	A73 I75 K79 A80 Q81	A73-V77 WeakPolarHBondContact O-CG2 3.37Å; A73-V77 PolarHBondContact O-N 2.92Å; A73-V77 VanDerWaalsContact O-N 3.12Å; I75-V77 VanDerWaalsContact C-N 3.32Å; I75-V77 PolarHBondContact O-N 2.97Å; V77-K79 VanDerWaalsContact C-N 3.34Å; V77-K79 PolarHBondContact O-N 2.96Å; V77-A80 PolarHBondContact O-N 3.39Å; V77-Q81 HydrophobicContact CG1-CG 4.46Å; V77-Q81 WeakPolarHBondContact O-CG 3.3Å; V77-Q81 PolarHBondContact O-N 3.44Å
78	K	82.9	Confident	73	Confident	121 Å²	121	63.8 Å²	63.8	53%	0.526	39%	0.391	S	S	.	.	H	α-helix	trans	-61.3	-39	175	-79.2	-175.4	172.4	-167.4	0	112.9	R74 I75 Q81 L82 L166	R74-K78 WeakPolarHBondContact O-CG 3.47Å; R74-K78 PolarHBondContact O-N 3.19Å; R74-K78 VanDerWaalsContact O-N 3.1Å; I75-K78 CarbonylContact O-C 3.55Å; I75-K78 PolarHBondContact O-N 3.37Å; I75-K78 VanDerWaalsContact O-N 3.11Å; K78-Q81 PolarHBondContact O-N 3.12Å; K78-L82 WeakPolarHBondContact O-CB 3.33Å; K78-L82 PolarHBondContact O-N 3.27Å; K78-L166 HydrophobicContact CB-CD1 4.45Å
79	K	83.6	Confident	75.3	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.017	39%	0.387	C	S	.	.	H	α-helix	trans	-62.8	-44.7	175.2	-78.8	177.9	175.9	178.8	0	110.9	I75 A76 V77 L82 R83 G163 L166 D167 D296	I75-K79 HydrophobicContact CG2-CD 4.08Å; I75-K79 HydrophobicContact CG2-CG 4.25Å; I75-K79 WeakPolarHBondContact O-CB 3.49Å; I75-K79 WeakPolarHBondContact O-CG 3.14Å; I75-K79 PolarHBondContact O-N 2.87Å; A76-K79 PolarHBondContact O-N 2.83Å; V77-K79 VanDerWaalsContact C-N 3.34Å; V77-K79 PolarHBondContact O-N 2.96Å; K79-L82 PolarHBondContact O-N 2.89Å; K79-R83 WeakPolarHBondContact O-CB 3.3Å; K79-R83 WeakPolarHBondContact O-CD 3.26Å; K79-R83 WeakPolarHBondContact O-CG 3.38Å; K79-R83 PolarHBondContact O-N 2.64Å; K79-G163 WeakPolarHBondContact CE-O 3.17Å; K79-L166 HydrophobicContact CB-CD1 4.2Å; K79-L166 HydrophobicContact CG-CB 4.18Å; K79-L166 HydrophobicContact CG-CD1 3.54Å; K79-D167 WeakPolarHBondContact CE-OD1 3.17Å; K79-D167 IonicContact NZ-OD1 3.84Å; K79-D167 PolarHBondContact NZ-OD1 3.36Å; K79-D167 IonicContact NZ-OD2 2.71Å; K79-D167 PolarHBondContact NZ-OD2 3.06Å; K79-D296 VanDerWaalsContact NZ-CG 3.28Å; K79-D296 IonicContact NZ-OD1 2.73Å; K79-D296 PolarHBondContact NZ-OD1 3Å; K79-D296 IonicContact NZ-OD2 3.11Å
80	A	84	Confident	77.9	Confident	56 Å²	56	63.1 Å²	63.1	46%	0.463	36%	0.361	S	S	.	.	H	α-helix	trans	-59.4	-50.6	174	0	0	0	0	0	111.7	A76 V77 L82 R83 S84	A76-A80 PolarHBondContact O-N 3.25Å; V77-A80 PolarHBondContact O-N 3.39Å; A80-L82 VanDerWaalsContact C-N 3.31Å; A80-L82 PolarHBondContact O-N 3.44Å; A80-R83 PolarHBondContact O-N 2.97Å; A80-S84 PolarHBondContact O-N 2.91Å; A80-S84 VanDerWaalsContact O-N 3.09Å; A80-S84 PolarHBondContact O-OG 3.22Å
81	Q	84.4	Confident	80.1	Confident	122 Å²	122	62.2 Å²	62.2	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-60.2	-34.8	179.1	-71.6	172.7	-15.2	0	0	113.8	V77 K78 S84 A85	V77-Q81 HydrophobicContact CG1-CG 4.46Å; V77-Q81 WeakPolarHBondContact O-CG 3.3Å; V77-Q81 PolarHBondContact O-N 3.44Å; K78-Q81 PolarHBondContact O-N 3.12Å; Q81-S84 PolarHBondContact O-OG 3.08Å; Q81-S84 VanDerWaalsContact O-OG 3.09Å; Q81-A85 PolarHBondContact O-N 3.34Å
82	L	82.4	Confident	81.6	Confident	21 Å²	21	63.8 Å²	63.8	11%	0.11	35%	0.351	C	S	.	.	H	α-helix	trans	-81.8	-32.5	178.6	-168.4	59.8	0	0	0	112.4	K78 K79 A80 S84 A85 L162 L166	K78-L82 WeakPolarHBondContact O-CB 3.33Å; K78-L82 PolarHBondContact O-N 3.27Å; K79-L82 PolarHBondContact O-N 2.89Å; A80-L82 VanDerWaalsContact C-N 3.31Å; A80-L82 PolarHBondContact O-N 3.44Å; L82-S84 VanDerWaalsContact C-N 3.27Å; L82-S84 PolarHBondContact O-N 3.09Å; L82-A85 HydrophobicContact CD1-CB 4.35Å; L82-A85 WeakPolarHBondContact O-CB 3.33Å; L82-A85 PolarHBondContact O-N 2.85Å; L82-L162 HydrophobicContact CD2-CB 4.3Å; L82-L162 HydrophobicContact CD2-CD2 3.88Å; L82-L162 HydrophobicContact CG-CD1 4.42Å; L82-L162 HydrophobicContact CG-CD2 4.12Å; L82-L166 HydrophobicContact CB-CD1 4.14Å; L82-L166 HydrophobicContact CD2-CD1 3.65Å; L82-L166 HydrophobicContact CD2-CD2 4.23Å; L82-L166 HydrophobicContact CD2-CG 3.9Å
83	R	84.4	Confident	82.8	Confident	95 Å²	95	65.2 Å²	65.2	36%	0.358	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-30.8	172	-72.2	168.6	-175.8	162.2	4.2	111.7	K79 A80 K90 N159 D296	K79-R83 WeakPolarHBondContact O-CB 3.3Å; K79-R83 WeakPolarHBondContact O-CD 3.26Å; K79-R83 WeakPolarHBondContact O-CG 3.38Å; K79-R83 PolarHBondContact O-N 2.64Å; A80-R83 PolarHBondContact O-N 2.97Å; R83-K90 VanDerWaalsContact O-CE 3.29Å; R83-K90 WeakPolarHBondContact O-CE 3.42Å; R83-K90 PolarHBondContact O-NZ 2.98Å; R83-N159 HydrophobicContact CG-CB 4.07Å; R83-D296 IonicContact NH2-OD1 3.7Å; R83-D296 IonicContact NH2-OD2 3.34Å; R83-D296 PolarHBondContact NH2-OD2 3.29Å
84	S	83.7	Confident	83.7	Confident	97 Å²	97	62.3 Å²	62.3	68%	0.678	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	4.7	174.4	63.9	0	0	0	0	115.3	A80 Q81 L82	A80-S84 PolarHBondContact O-N 2.91Å; A80-S84 VanDerWaalsContact O-N 3.09Å; A80-S84 PolarHBondContact O-OG 3.22Å; Q81-S84 PolarHBondContact O-OG 3.08Å; Q81-S84 VanDerWaalsContact O-OG 3.09Å; L82-S84 VanDerWaalsContact C-N 3.27Å; L82-S84 PolarHBondContact O-N 3.09Å
85	A	84.9	Confident	84.3	Confident	17 Å²	17	53.6 Å²	53.6	14%	0.14	30%	0.296	C	S	.	.	S	Bend	trans	-78.8	156.7	-179.9	0	0	0	0	0	112.6	Q81 L82 K89 K90	Q81-A85 PolarHBondContact O-N 3.34Å; L82-A85 HydrophobicContact CD1-CB 4.35Å; L82-A85 WeakPolarHBondContact O-CB 3.33Å; L82-A85 PolarHBondContact O-N 2.85Å; A85-K89 HydrophobicContact CB-CD 4.36Å; A85-K90 WeakPolarHBondContact O-CE 3.49Å
86	P	86.4	Confident	84.7	Confident	96 Å²	96	55.8 Å²	55.8	62%	0.623	31%	0.31	S	S	*	.			trans	-60.2	146.2	173.2	-24.1	34.7	0	0	0	113.1	A88 K89 K90	P86-A88 VanDerWaalsContact C-N 3.28Å; P86-A88 PolarHBondContact O-N 2.86Å; P86-A88 VanDerWaalsContact O-N 3.15Å; P86-K89 WeakPolarHBondContact O-CB 3.48Å; P86-K89 PolarHBondContact O-N 3.39Å; P86-K90 PolarHBondContact O-N 3.2Å
87	R	83.3	Confident	85	Confident	79 Å²	79	54.9 Å²	54.9	30%	0.298	29%	0.294	S	S	.	.	H	α-helix	trans	-54.8	-36.1	-174.4	-168.4	172.8	175.1	92.6	-7.1	113.9	K89 K90 L91 L150 E151 V153 E155 M158	R87-K89 VanDerWaalsContact C-N 3.34Å; R87-K89 PolarHBondContact O-N 3.34Å; R87-K90 WeakPolarHBondContact O-CB 3.44Å; R87-K90 PolarHBondContact O-N 2.81Å; R87-L91 HydrophobicContact CG-CD1 4.29Å; R87-L91 WeakPolarHBondContact O-CG 3.49Å; R87-L91 PolarHBondContact O-N 3.22Å; R87-L150 PolarHBondContact NH2-O 3.32Å; R87-E151 PolarHBondContact NH2-O 3.18Å; R87-V153 PolarHBondContact NH1-O 3.43Å; R87-V153 VanDerWaalsContact NH1-O 3.13Å; R87-V153 PolarHBondContact NH2-O 3.08Å; R87-E155 WeakPolarHBondContact CD-OE1 3.11Å; R87-E155 IonicContact CZ-OE1 2.84Å; R87-E155 IonicContact NE-OE1 3.15Å; R87-E155 IonicContact NH1-OE1 3.06Å; R87-E155 PolarHBondContact NH1-OE1 3.29Å; R87-M158 HydrophobicContact CG-CE 4.2Å; R87-M158 HydrophobicContact CG-SD 4.03Å; R87-M158 VanDerWaalsContact CZ-CE 3.46Å
88	A	82.8	Confident	85.2	Confident	51 Å²	51	51.1 Å²	51.1	42%	0.421	27%	0.272	S	S	.	.	H	α-helix	trans	-57.3	-44.3	174.1	0	0	0	0	0	112.8	P86 L91 E92	P86-A88 VanDerWaalsContact C-N 3.28Å; P86-A88 PolarHBondContact O-N 2.86Å; P86-A88 VanDerWaalsContact O-N 3.15Å; A88-L91 PolarHBondContact O-N 2.92Å; A88-E92 PolarHBondContact O-N 3.05Å
89	K	83.9	Confident	85.4	Confident	75 Å²	75	47 Å²	47	33%	0.326	26%	0.26	S	S	.	.	H	α-helix	trans	-72.2	-28.2	178.1	-169.2	174.3	-178.2	-176.5	0	112.8	A85 P86 R87 K93	A85-K89 HydrophobicContact CB-CD 4.36Å; P86-K89 WeakPolarHBondContact O-CB 3.48Å; P86-K89 PolarHBondContact O-N 3.39Å; R87-K89 VanDerWaalsContact C-N 3.34Å; R87-K89 PolarHBondContact O-N 3.34Å; K89-K93 PolarHBondContact O-N 3.2Å
90	K	87.6	Confident	85.7	Confident	5 Å²	5	47.3 Å²	47.3	2%	0.022	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-47.6	168.4	-63.2	-171.4	177.9	-170.4	0	111	R83 A85 P86 R87 K93 L94 E155 M158 N159 L162	R83-K90 VanDerWaalsContact O-CE 3.29Å; R83-K90 WeakPolarHBondContact O-CE 3.42Å; R83-K90 PolarHBondContact O-NZ 2.98Å; A85-K90 WeakPolarHBondContact O-CE 3.49Å; P86-K90 PolarHBondContact O-N 3.2Å; R87-K90 WeakPolarHBondContact O-CB 3.44Å; R87-K90 PolarHBondContact O-N 2.81Å; K90-K93 PolarHBondContact O-N 3.31Å; K90-L94 WeakPolarHBondContact O-CG 3.42Å; K90-L94 PolarHBondContact O-N 3.02Å; K90-L94 VanDerWaalsContact O-N 3.08Å; K90-E155 IonicContact NZ-OE2 3.33Å; K90-E155 PolarHBondContact NZ-OE2 3.31Å; K90-M158 HydrophobicContact CB-CG 4.19Å; K90-M158 HydrophobicContact CB-SD 3.55Å; K90-M158 VanDerWaalsContact CB-SD 3.55Å; K90-M158 HydrophobicContact CD-CG 4.15Å; K90-M158 HydrophobicContact CD-SD 3.66Å; K90-M158 HydrophobicContact CG-SD 4.24Å; K90-N159 PolarHBondContact NZ-OD1 3.28Å; K90-L162 HydrophobicContact CB-CD1 3.86Å; K90-L162 HydrophobicContact CB-CD2 4.47Å; K90-L162 HydrophobicContact CD-CD1 3.7Å; K90-L162 HydrophobicContact CG-CD1 3.63Å
91	L	87.3	Confident	85.8	Confident	15 Å²	15	51.1 Å²	51.1	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-43.8	178.9	-67.3	167.1	0	0	0	111.8	R87 A88 K93 L94 G95 V147 L150 M158	R87-L91 HydrophobicContact CG-CD1 4.29Å; R87-L91 WeakPolarHBondContact O-CG 3.49Å; R87-L91 PolarHBondContact O-N 3.22Å; A88-L91 PolarHBondContact O-N 2.92Å; L91-K93 PolarHBondContact O-N 2.86Å; L91-L94 PolarHBondContact O-N 3.33Å; L91-G95 PolarHBondContact O-N 3.24Å; L91-V147 HydrophobicContact CB-CB 4.4Å; L91-V147 HydrophobicContact CB-CG1 4.4Å; L91-V147 HydrophobicContact CB-CG2 4.32Å; L91-V147 HydrophobicContact CD2-CB 4.1Å; L91-V147 HydrophobicContact CD2-CG2 4.38Å; L91-V147 WeakPolarHBondContact O-CG1 3.42Å; L91-L150 HydrophobicContact CD2-CB 3.74Å; L91-L150 HydrophobicContact CD2-CD1 4.38Å; L91-M158 HydrophobicContact CD2-CE 3.66Å; L91-M158 HydrophobicContact CG-CE 4.22Å
92	E	87.3	Confident	85.8	Confident	50 Å²	50	47.6 Å²	47.6	23%	0.234	26%	0.26	C	S	.	.	H	α-helix	trans	-50	-53.6	172.6	-173.9	-149.4	154.9	0	0	111.5	A88 L94 G95 W111 V130	A88-E92 PolarHBondContact O-N 3.05Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 3.19Å; E92-G95 PolarHBondContact O-N 3.24Å; E92-W111 HydrophobicContact CG-CZ3 4.31Å; E92-V130 HydrophobicContact CG-CB 4.07Å; E92-V130 HydrophobicContact CG-CG1 4.17Å; E92-V130 HydrophobicContact CG-CG2 4.09Å
93	K	87.3	Confident	86	Confident	66 Å²	66	51.9 Å²	51.9	29%	0.287	28%	0.28	S	S	.	.	H	α-helix	trans	-66.3	-31.8	-178.6	-97.4	-71.7	172.9	-174.5	0	113.9	K89 K90 L91 L162 E169	K89-K93 PolarHBondContact O-N 3.2Å; K90-K93 PolarHBondContact O-N 3.31Å; L91-K93 PolarHBondContact O-N 2.86Å; K93-L162 HydrophobicContact CB-CD2 4.16Å; K93-E169 IonicContact NZ-OE1 2.72Å; K93-E169 PolarHBondContact NZ-OE1 3.34Å
94	L	86.9	Confident	85.6	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-77.3	-32.4	175.1	-68.5	170.2	0	0	0	112.2	K90 L91 E92 V96 Y97 S98 L150 M158 L161 L162 V165	K90-L94 WeakPolarHBondContact O-CG 3.42Å; K90-L94 PolarHBondContact O-N 3.02Å; K90-L94 VanDerWaalsContact O-N 3.08Å; L91-L94 PolarHBondContact O-N 3.33Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 3.19Å; L94-V96 PolarHBondContact O-N 2.91Å; L94-Y97 CarbonylContact O-C 3.49Å; L94-Y97 PolarHBondContact O-N 2.97Å; L94-S98 WeakPolarHBondContact O-CB 3.41Å; L94-S98 PolarHBondContact O-N 3.24Å; L94-S98 PolarHBondContact O-OG 2.91Å; L94-L150 HydrophobicContact CB-CD1 3.62Å; L94-L150 HydrophobicContact CD1-CD1 3.94Å; L94-L150 HydrophobicContact CG-CD1 4.37Å; L94-M158 HydrophobicContact CD1-CG 3.66Å; L94-L161 HydrophobicContact CD1-CB 4.48Å; L94-L161 HydrophobicContact CD2-CB 3.62Å; L94-L162 HydrophobicContact CD1-CD2 4.24Å; L94-L162 HydrophobicContact CD1-CG 4.23Å; L94-L162 HydrophobicContact CD2-CD2 4.08Å; L94-L162 HydrophobicContact CD2-CG 4.27Å; L94-L162 HydrophobicContact CG-CD2 3.82Å; L94-L162 HydrophobicContact CG-CG 4.24Å; L94-V165 HydrophobicContact CD2-CG2 3.98Å
95	G	86.3	Confident	85.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-56.1	-37.5	177.5	0	0	0	0	0	113	L91 E92 Y97 S98 W111	L91-G95 PolarHBondContact O-N 3.24Å; E92-G95 PolarHBondContact O-N 3.24Å; G95-Y97 PolarHBondContact O-N 3.43Å; G95-Y97 VanDerWaalsContact O-N 3.12Å; G95-S98 PolarHBondContact O-N 3.42Å; G95-S98 VanDerWaalsContact O-N 3.11Å; G95-W111 PolarHBondContact O-N 2.93Å
96	V	88.1	Confident	85.8	Confident	58 Å²	58	56.7 Å²	56.7	35%	0.352	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.3	176.4	180	0	0	0	0	113.5	L94 G110 W111	L94-V96 PolarHBondContact O-N 2.91Å; V96-G110 VanDerWaalsContact O-CA 3.27Å; V96-G110 WeakPolarHBondContact O-CA 3.3Å; V96-W111 WeakPolarHBondContact CA-O 3.46Å; V96-W111 HydrophobicContact CG2-CE3 4.27Å
97	Y	85.7	Confident	85.8	Confident	39 Å²	39	61.4 Å²	61.4	15%	0.153	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	10.1	-179.5	-61.3	-92.2	0	0	0	113.1	L94 G95 V165 V168 I198 L199	L94-Y97 CarbonylContact O-C 3.49Å; L94-Y97 PolarHBondContact O-N 2.97Å; G95-Y97 PolarHBondContact O-N 3.43Å; G95-Y97 VanDerWaalsContact O-N 3.12Å; Y97-V165 HydrophobicContact CD2-CB 4.47Å; Y97-V165 HydrophobicContact CD2-CG1 3.97Å; Y97-V165 HydrophobicContact CD2-CG2 3.69Å; Y97-V165 HydrophobicContact CE2-CB 4.44Å; Y97-V165 HydrophobicContact CE2-CG1 3.57Å; Y97-V165 HydrophobicContact CE2-CG2 4.14Å; Y97-V165 HydrophobicContact CG-CG2 4.12Å; Y97-V168 HydrophobicContact CE1-CG1 3.73Å; Y97-I198 HydrophobicContact CD1-CD1 4.15Å; Y97-I198 HydrophobicContact CG-CD1 4.2Å; Y97-L199 VanDerWaalsContact O-CD2 3.24Å; Y97-L199 WeakPolarHBondContact O-CD2 3.44Å
98	S	86.8	Confident	86	Confident	5 Å²	5	58.4 Å²	58.4	4%	0.035	31%	0.305	C	S	.	.	S	Bend	trans	-105.7	141.2	-174.7	-66.8	0	0	0	0	112.6	L94 G95 N109 G110 H146	L94-S98 WeakPolarHBondContact O-CB 3.41Å; L94-S98 PolarHBondContact O-N 3.24Å; L94-S98 PolarHBondContact O-OG 2.91Å; G95-S98 PolarHBondContact O-N 3.42Å; G95-S98 VanDerWaalsContact O-N 3.11Å; S98-N109 CarbonylContact O-C 3.52Å; S98-G110 WeakPolarHBondContact O-CA 3.38Å; S98-G110 PolarHBondContact O-N 3.15Å; S98-H146 WeakPolarHBondContact CB-O 3.3Å
99	A	87.5	Confident	86.1	Confident	35 Å²	35	60 Å²	60	29%	0.289	31%	0.307	S	S	.	.			trans	-72.6	142.2	173.3	0	0	0	0	0	111.9	C108 L199	A99-C108 CarbonylContact C-O 3.58Å; A99-C108 VanDerWaalsContact CA-O 3.3Å; A99-C108 WeakPolarHBondContact CA-O 3.32Å; A99-L199 HydrophobicContact CB-CD2 4.45Å
100	C	89.3	Confident	86.3	Confident	10 Å²	10	57 Å²	57	7%	0.068	30%	0.296	C	S	.	.			trans	-74.3	138.8	175.5	-176.8	0	0	0	0	110.9	C108 H141	C100-C108 HydrophobicContact CB-CB 3.78Å; C100-C108 PolarHBondContact N-O 2.91Å; C100-H141 PolarHBondContact SG-ND1 3.17Å
101	K	86.7	Confident	86.3	Confident	135 Å²	135	56.9 Å²	56.9	59%	0.587	30%	0.296	S	S	*	.			trans	-124.9	24.8	-179.9	-60	-167.8	174.8	-162.7	0	113.7	A145 H149	K101-A145 PolarHBondContact N-O 3.12Å; K101-H149 HydrophobicContact CD-CB 4.38Å
102	A	84.1	Confident	86.3	Confident	48 Å²	48	62 Å²	62	40%	0.397	32%	0.318	S	S	.	.	S	Bend	trans	-70.2	-39.9	176.5	0	0	0	0	0	112.8	H141 A145	A102-H141 HydrophobicContact CB-CB 3.88Å; A102-H141 VanDerWaalsContact CB-CG 3.4Å; A102-A145 HydrophobicContact CB-CB 3.86Å
103	E	85.4	Confident	86.1	Confident	112 Å²	112	61.8 Å²	61.8	52%	0.523	32%	0.318	S	S	.	.			trans	-143.2	147.6	-179.4	-62.4	-177.4	-179.9	0	0	109.2	S105 C106 H141	E103-S105 WeakPolarHBondContact CB-OG 3.27Å; E103-S105 PolarHBondContact O-N 3.29Å; E103-S105 PolarHBondContact OE2-OG 3.2Å; E103-C106 HydrophobicContact CB-CB 4.34Å; E103-C106 VanDerWaalsContact O-CB 3.3Å; E103-C106 WeakPolarHBondContact O-CB 3.22Å; E103-C106 PolarHBondContact O-N 3.38Å; E103-H141 IonicContact OE1-NE2 3.99Å
104	E	77.2	Confident	85.6	Confident	212 Å²	212	60.7 Å²	60.7	99%	0.991	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-20.5	174.2	-58.3	-167.1	143.5	0	0	112.9	C106	E104-C106 PolarHBondContact O-N 2.82Å
105	S	84.9	Confident	84.9	Confident	75 Å²	75	66.5 Å²	66.5	52%	0.524	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.6	171.8	76.3	0	0	0	0	113.2	E103 K107	E103-S105 WeakPolarHBondContact CB-OG 3.27Å; E103-S105 PolarHBondContact O-N 3.29Å; E103-S105 PolarHBondContact OE2-OG 3.2Å; S105-K107 PolarHBondContact O-N 3.1Å
106	C	86.9	Confident	83.6	Confident	22 Å²	22	70.9 Å²	70.9	15%	0.149	38%	0.377	C	S	.	.			trans	-88.9	97.2	-152.9	-166.3	0	0	0	0	113.1	E103 E104 C108 H141	E103-C106 HydrophobicContact CB-CB 4.34Å; E103-C106 VanDerWaalsContact O-CB 3.3Å; E103-C106 WeakPolarHBondContact O-CB 3.22Å; E103-C106 PolarHBondContact O-N 3.38Å; E104-C106 PolarHBondContact O-N 2.82Å; C106-C108 PolarHBondContact O-N 2.95Å; C106-H141 PolarHBondContact SG-ND1 3.43Å; C106-H141 VanDerWaalsContact SG-ND1 3.37Å
107	K	86.7	Confident	82	Confident	195 Å²	195	73 Å²	73	85%	0.848	40%	0.395	S	S	*	.			trans	-77.8	26.8	-179	-58.7	178	-174.5	175.6	0	114.4	S105 N109	S105-K107 PolarHBondContact O-N 3.1Å; K107-N109 PolarHBondContact O-ND2 3.39Å
108	C	88.4	Confident	80.2	Confident	16 Å²	16	75.7 Å²	75.7	11%	0.108	42%	0.417	C	S	.	.			trans	-82.7	127	-178.3	-162.5	0	0	0	0	111.6	A99 C100 C106 C139	A99-C108 CarbonylContact C-O 3.58Å; A99-C108 VanDerWaalsContact CA-O 3.3Å; A99-C108 WeakPolarHBondContact CA-O 3.32Å; C100-C108 HydrophobicContact CB-CB 3.78Å; C100-C108 PolarHBondContact N-O 2.91Å; C106-C108 PolarHBondContact O-N 2.95Å; C108-C139 HydrophobicContact CB-CB 3.87Å; C108-C139 VanDerWaalsContact SG-SG 3.63Å
109	N	84.9	Confident	77.8	Confident	86 Å²	86	82 Å²	82	46%	0.46	46%	0.455	S	S	.	.			trans	-113.4	26.5	-172	-71.6	-80.4	0	0	0	113.4	S98 K107	S98-N109 CarbonylContact O-C 3.52Å; K107-N109 PolarHBondContact O-ND2 3.39Å
110	G	87.4	Confident	75.7	Confident	10 Å²	10	85.2 Å²	85.2	10%	0.103	47%	0.473	C	S	.	.	S	Bend	trans	163.2	127.8	178.4	0	0	0	0	0	112.8	V96 S98	V96-G110 VanDerWaalsContact O-CA 3.27Å; V96-G110 WeakPolarHBondContact O-CA 3.3Å; S98-G110 WeakPolarHBondContact O-CA 3.38Å; S98-G110 PolarHBondContact O-N 3.15Å
111	W	88.1	Confident	73.3	Confident	3 Å²	3	90.3 Å²	90.3	1%	0.011	51%	0.506	C	S	.	.			trans	-62.8	137.1	173.2	-179.2	89.6	0	0	0	110.5	E92 G95 V96 N113 V130 E134 C136 L143 H146	E92-W111 HydrophobicContact CG-CZ3 4.31Å; G95-W111 PolarHBondContact O-N 2.93Å; V96-W111 WeakPolarHBondContact CA-O 3.46Å; V96-W111 HydrophobicContact CG2-CE3 4.27Å; W111-N113 HydrophobicContact CE3-CB 4.42Å; W111-N113 VanDerWaalsContact CH2-CA 3.46Å; W111-N113 HydrophobicContact CH2-CB 3.47Å; W111-N113 VanDerWaalsContact CH2-CB 3.47Å; W111-N113 HydrophobicContact CZ2-CB 4.25Å; W111-N113 HydrophobicContact CZ3-CB 3.57Å; W111-V130 HydrophobicContact CH2-CG1 3.59Å; W111-V130 HydrophobicContact CZ2-CG1 4Å; W111-V130 HydrophobicContact CZ3-CG1 4.44Å; W111-E134 HydrophobicContact CZ2-CB 3.93Å; W111-E134 PolarHBondContact NE1-O 3.48Å; W111-C136 HydrophobicContact CG-CB 4.29Å; W111-L143 HydrophobicContact CB-CD1 4.06Å; W111-L143 HydrophobicContact CD2-CB 4.46Å; W111-L143 HydrophobicContact CD2-CD1 3.82Å; W111-L143 HydrophobicContact CE3-CD1 4.21Å; W111-L143 HydrophobicContact CG-CB 4.41Å; W111-L143 HydrophobicContact CG-CD1 3.74Å; W111-L143 HydrophobicContact CZ2-CB 4.5Å; W111-H146 HydrophobicContact CB-CB 4.31Å; W111-H146 PolarHBondContact N-CD2 2.9Å
112	K	86.1	Confident	71.2	Confident	124 Å²	124	94 Å²	94	54%	0.539	52%	0.516	S	S	.	.			trans	-121	119.7	172.8	-62.8	-169.7	-161	137.8	0	109.3	C136 R137 S138	K112-C136 PolarHBondContact N-SG 3.26Å; K112-R137 HydrophobicContact CB-CB 4.2Å; K112-R137 PolarHBondContact O-N 3.45Å; K112-S138 WeakPolarHBondContact CD-OG 3.33Å; K112-S138 WeakPolarHBondContact CE-OG 3.23Å; K112-S138 PolarHBondContact NZ-OG 3.16Å
113	N	83.4	Confident	69.1	Low	44 Å²	44	96.1 Å²	96.1	24%	0.235	53%	0.534	C	S	.	.			trans	-53	126.7	176.1	-168.4	-38.7	0	0	0	110.3	W111 N115	W111-N113 HydrophobicContact CE3-CB 4.42Å; W111-N113 VanDerWaalsContact CH2-CA 3.46Å; W111-N113 HydrophobicContact CH2-CB 3.47Å; W111-N113 VanDerWaalsContact CH2-CB 3.47Å; W111-N113 HydrophobicContact CZ2-CB 4.25Å; W111-N113 HydrophobicContact CZ3-CB 3.57Å; N113-N115 VanDerWaalsContact C-N 3.31Å; N113-N115 VanDerWaalsContact OD1-C 3.27Å; N113-N115 WeakPolarHBondContact OD1-CA 3.48Å; N113-N115 PolarHBondContact OD1-N 2.92Å; N113-N115 PolarHBondContact OD1-O 2.88Å; N113-N115 VanDerWaalsContact OD1-O 3.12Å
114	P	77.1	Confident	66.6	Low	43 Å²	43	98.3 Å²	98.3	28%	0.279	55%	0.549	S	S	.	.	S	Bend	trans	-69.2	-29.1	176.9	28.1	-34	0	0	0	112.7	P116 S135	P114-P116 WeakPolarHBondContact O-CD 3.41Å; P114-S135 WeakPolarHBondContact CD-O 3.46Å
115	N	72.2	Confident	64.8	Low	124 Å²	124	93.6 Å²	93.6	66%	0.663	53%	0.53	S	S	*	.	S	Bend	trans	-110.5	77.3	-177.6	-66.3	-36.5	0	0	0	110.9	N113 S117	N113-N115 VanDerWaalsContact C-N 3.31Å; N113-N115 VanDerWaalsContact OD1-C 3.27Å; N113-N115 WeakPolarHBondContact OD1-CA 3.48Å; N113-N115 PolarHBondContact OD1-N 2.92Å; N113-N115 PolarHBondContact OD1-O 2.88Å; N113-N115 VanDerWaalsContact OD1-O 3.12Å; N115-S117 PolarHBondContact O-N 3.41Å
116	P	59.1	Low	62.7	Low	93 Å²	93	98.5 Å²	98.5	60%	0.604	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-63.2	134.5	180	27.4	-35.3	0	0	0	111.7	P114	P114-P116 WeakPolarHBondContact O-CD 3.41Å
117	S	54.6	Low	60.9	Low	103 Å²	103	104 Å²	104	72%	0.72	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-55.5	138.2	173.5	-43.9	0	0	0	0	111	N115	N115-S117 PolarHBondContact O-N 3.41Å
118	P	47	Very low	59.4	Low	95 Å²	95	101.5 Å²	101.5	62%	0.617	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-65.5	138.3	178.5	26.5	-34.2	0	0	0	111.6	P120	P118-P120 CarbonylContact O-C 3.53Å
119	T	37.5	Very low	57.9	Low	136 Å²	136	107.8 Å²	107.8	83%	0.834	59%	0.594	S	S	*	*	S	Bend	trans	-101.9	129.1	176.5	-36.8	0	0	0	0	109.1
120	P	42.5	Very low	56.9	Low	104 Å²	104	104.7 Å²	104.7	68%	0.675	58%	0.578	S	S	*	*	S	Bend	cis	-77	156.5	-0.6	33.4	-36.4	0	0	0	113.2	P118 R122	P118-P120 CarbonylContact O-C 3.53Å; P120-R122 PolarHBondContact O-N 3.19Å
121	P	39.9	Very low	56.3	Low	117 Å²	117	106.6 Å²	106.6	76%	0.76	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-64.9	122	175.8	27.7	-34.4	0	0	0	110.9
122	R	41.3	Very low	55.8	Low	211 Å²	211	109.8 Å²	109.8	80%	0.796	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-71	145.7	165.6	-68.7	-178.4	174.5	175.4	-2.5	109.4	P120	P120-R122 PolarHBondContact O-N 3.19Å
123	A	40.1	Very low	55.5	Low	94 Å²	94	109.2 Å²	109.2	78%	0.777	61%	0.614	S	S	*	*	S	Bend	trans	-69.6	-35.4	-176.2	0	0	0	0	0	112.9	L125	A123-L125 PolarHBondContact O-N 2.72Å
124	D	33.8	Very low	55.6	Low	158 Å²	158	109.1 Å²	109.1	85%	0.845	61%	0.612	S	S	*	*			trans	-103.8	52.8	-163.8	-47.3	-71.2	0	0	0	113
125	L	38.9	Very low	56.1	Low	112 Å²	112	110 Å²	110	59%	0.586	62%	0.619	S	S	*	*			trans	-123.1	116.3	172.2	-107.1	160.4	0	0	0	110.6	A123 Q127	A123-L125 PolarHBondContact O-N 2.72Å; L125-Q127 PolarHBondContact O-N 3.24Å
126	Q	41.4	Very low	57	Low	178 Å²	178	104.2 Å²	104.2	83%	0.832	59%	0.588	S	S	*	*			trans	-47.9	128.4	168.5	-147.1	83	-4.6	0	0	108.5	I128	Q126-I128 PolarHBondContact O-N 3.39Å
127	Q	47.8	Very low	58.4	Low	139 Å²	139	108.9 Å²	108.9	65%	0.65	59%	0.594	S	S	*	*			trans	-66.8	108.8	-175.1	-71	173.8	10.6	0	0	109.9	L125 I129	L125-Q127 PolarHBondContact O-N 3.24Å; Q127-I129 PolarHBondContact O-N 2.81Å
128	I	55.3	Low	59.9	Low	142 Å²	142	106.5 Å²	106.5	73%	0.728	58%	0.577	S	S	*	*			trans	-57.2	121.1	175.5	-58.8	175.2	0	0	0	107.8	Q126 V130	Q126-I128 PolarHBondContact O-N 3.39Å; I128-V130 PolarHBondContact O-N 3.39Å
129	I	56.4	Low	62	Low	148 Å²	148	103.2 Å²	103.2	76%	0.759	56%	0.556	S	S	*	*			trans	-79	106.5	178.8	-59	176	0	0	0	107.2	Q127 S131	Q127-I129 PolarHBondContact O-N 2.81Å; I129-S131 PolarHBondContact O-N 3.37Å
130	V	64.6	Low	64.4	Low	20 Å²	20	101.4 Å²	101.4	12%	0.121	55%	0.549	C	S	.	.			trans	-60.6	127.9	174.7	172.9	0	0	0	0	109.5	E92 W111 I128 E134 L143	E92-V130 HydrophobicContact CG-CB 4.07Å; E92-V130 HydrophobicContact CG-CG1 4.17Å; E92-V130 HydrophobicContact CG-CG2 4.09Å; W111-V130 HydrophobicContact CH2-CG1 3.59Å; W111-V130 HydrophobicContact CZ2-CG1 4Å; W111-V130 HydrophobicContact CZ3-CG1 4.44Å; I128-V130 PolarHBondContact O-N 3.39Å; V130-E134 VanDerWaalsContact CA-OE1 3.3Å; V130-E134 WeakPolarHBondContact CA-OE1 3.3Å; V130-L143 HydrophobicContact CG1-CD2 3.79Å
131	S	75	Confident	66.7	Low	51 Å²	51	98.7 Å²	98.7	36%	0.357	53%	0.527	S	S	.	.			trans	-82.3	143.7	177.4	-178.7	0	0	0	0	111.4	I129 T133 E134	I129-S131 PolarHBondContact O-N 3.37Å; S131-T133 WeakPolarHBondContact CB-OG1 3.47Å; S131-T133 PolarHBondContact O-N 2.82Å; S131-T133 VanDerWaalsContact O-N 3.09Å; S131-T133 PolarHBondContact OG-N 3.25Å; S131-T133 PolarHBondContact OG-OG1 3.21Å; S131-E134 PolarHBondContact N-OE1 2.96Å; S131-E134 WeakPolarHBondContact O-CB 3.33Å; S131-E134 PolarHBondContact O-N 2.9Å
132	L	77.9	Confident	69.1	Low	69 Å²	69	94.7 Å²	94.7	36%	0.361	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-17.3	172	-68	173.3	0	0	0	112.9	L143 A144 V147	L132-L143 HydrophobicContact CD2-CD2 4.16Å; L132-L143 HydrophobicContact CD2-CG 4.19Å; L132-L143 PolarHBondContact O-N 3.2Å; L132-A144 HydrophobicContact CB-CB 4.37Å; L132-A144 WeakPolarHBondContact O-CB 3.33Å; L132-A144 PolarHBondContact O-N 2.78Å; L132-V147 HydrophobicContact CD2-CG2 3.85Å
133	T	80.6	Confident	71.3	Confident	112 Å²	112	84.7 Å²	84.7	69%	0.687	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.9	175.5	56.7	0	0	0	0	114.6	S131 S135	S131-T133 WeakPolarHBondContact CB-OG1 3.47Å; S131-T133 PolarHBondContact O-N 2.82Å; S131-T133 VanDerWaalsContact O-N 3.09Å; S131-T133 PolarHBondContact OG-N 3.25Å; S131-T133 PolarHBondContact OG-OG1 3.21Å; T133-S135 PolarHBondContact O-N 3.08Å
134	E	85.4	Confident	73.6	Confident	43 Å²	43	82.4 Å²	82.4	20%	0.201	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-70.3	127.9	-175.1	-76.2	178.1	-131.6	0	0	113.6	W111 V130 S131 A142 L143	W111-E134 HydrophobicContact CZ2-CB 3.93Å; W111-E134 PolarHBondContact NE1-O 3.48Å; V130-E134 VanDerWaalsContact CA-OE1 3.3Å; V130-E134 WeakPolarHBondContact CA-OE1 3.3Å; S131-E134 PolarHBondContact N-OE1 2.96Å; S131-E134 WeakPolarHBondContact O-CB 3.33Å; S131-E134 PolarHBondContact O-N 2.9Å; E134-A142 CarbonylContact O-C 3.5Å; E134-A142 WeakPolarHBondContact O-CA 3.26Å; E134-L143 PolarHBondContact O-N 2.82Å
135	S	87.8	Confident	76.2	Confident	62 Å²	62	75.8 Å²	75.8	43%	0.434	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-72.4	131.7	-177.3	46.9	0	0	0	0	113	P114 T133 R137 S140	P114-S135 WeakPolarHBondContact CD-O 3.46Å; T133-S135 PolarHBondContact O-N 3.08Å; S135-R137 PolarHBondContact O-N 2.94Å; S135-S140 WeakPolarHBondContact CB-O 3.41Å
136	C	89.2	Confident	78.5	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.007	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-67.6	124.7	175.6	176.1	0	0	0	0	111.1	W111 K112 S138 C139 S140 H141	W111-C136 HydrophobicContact CG-CB 4.29Å; K112-C136 PolarHBondContact N-SG 3.26Å; C136-S138 PolarHBondContact O-N 3.01Å; C136-S138 PolarHBondContact SG-N 3.31Å; C136-S138 VanDerWaalsContact SG-N 3.37Å; C136-C139 VanDerWaalsContact CB-SG 3.59Å; C136-C139 PolarHBondContact O-N 2.94Å; C136-C139 VanDerWaalsContact SG-SG 3.68Å; C136-S140 WeakPolarHBondContact O-CA 3.33Å; C136-S140 PolarHBondContact O-N 3Å; C136-H141 VanDerWaalsContact CB-O 3.26Å; C136-H141 WeakPolarHBondContact CB-O 3.38Å; C136-H141 PolarHBondContact N-O 3.42Å
137	R	88.6	Confident	80.7	Confident	191 Å²	191	62.3 Å²	62.3	72%	0.721	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-11.8	176.2	-175.2	172.6	173.1	-167.5	-0.7	115	K112 S135	K112-R137 HydrophobicContact CB-CB 4.2Å; K112-R137 PolarHBondContact O-N 3.45Å; S135-R137 PolarHBondContact O-N 2.94Å
138	S	87.8	Confident	82.6	Confident	54 Å²	54	58.1 Å²	58.1	38%	0.378	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-13.9	-178.1	-46.3	0	0	0	0	115.4	K112 C136	K112-S138 WeakPolarHBondContact CD-OG 3.33Å; K112-S138 WeakPolarHBondContact CE-OG 3.23Å; K112-S138 PolarHBondContact NZ-OG 3.16Å; C136-S138 PolarHBondContact O-N 3.01Å; C136-S138 PolarHBondContact SG-N 3.31Å; C136-S138 VanDerWaalsContact SG-N 3.37Å
139	C	89.6	Confident	84	Confident	26 Å²	26	53.2 Å²	53.2	18%	0.176	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-151.9	5.8	-176.7	62.3	0	0	0	0	114	C108 C136 H141	C108-C139 HydrophobicContact CB-CB 3.87Å; C108-C139 VanDerWaalsContact SG-SG 3.63Å; C136-C139 VanDerWaalsContact CB-SG 3.59Å; C136-C139 PolarHBondContact O-N 2.94Å; C136-C139 VanDerWaalsContact SG-SG 3.68Å; C139-H141 PolarHBondContact O-N 3.36Å; C139-H141 PolarHBondContact O-ND1 3.19Å
140	S	89.2	Confident	85.3	Confident	98 Å²	98	46.3 Å²	46.3	69%	0.685	27%	0.274	S	S	*	.			trans	60.7	-16.3	-176.8	-56	0	0	0	0	116.6	S135 C136	S135-S140 WeakPolarHBondContact CB-O 3.41Å; C136-S140 WeakPolarHBondContact O-CA 3.33Å; C136-S140 PolarHBondContact O-N 3Å
141	H	90.6	Very high	86.1	Confident	46 Å²	46	51.1 Å²	51.1	21%	0.213	30%	0.295	C	S	.	.			trans	-66.7	144	177.2	-58	133.8	0	0	0	113.2	C100 A102 E103 C106 C136 C139 A145	C100-H141 PolarHBondContact SG-ND1 3.17Å; A102-H141 HydrophobicContact CB-CB 3.88Å; A102-H141 VanDerWaalsContact CB-CG 3.4Å; E103-H141 IonicContact OE1-NE2 3.99Å; C106-H141 PolarHBondContact SG-ND1 3.43Å; C106-H141 VanDerWaalsContact SG-ND1 3.37Å; C136-H141 VanDerWaalsContact CB-O 3.26Å; C136-H141 WeakPolarHBondContact CB-O 3.38Å; C136-H141 PolarHBondContact N-O 3.42Å; C139-H141 PolarHBondContact O-N 3.36Å; C139-H141 PolarHBondContact O-ND1 3.19Å; H141-A145 HydrophobicContact CB-CB 4.4Å
142	A	90.4	Very high	86.5	Confident	33 Å²	33	56.4 Å²	56.4	27%	0.273	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-61.2	156.7	-177.9	0	0	0	0	0	113.9	E134 A144 A145 H146	E134-A142 CarbonylContact O-C 3.5Å; E134-A142 WeakPolarHBondContact O-CA 3.26Å; A142-A144 HydrophobicContact CB-CB 4.48Å; A142-A144 PolarHBondContact O-N 3Å; A142-A145 PolarHBondContact O-N 3.11Å; A142-H146 PolarHBondContact O-ND1 3.11Å
143	L	87.6	Confident	86.9	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-40	172	176.4	58.8	0	0	0	111.6	W111 V130 L132 E134 A145 H146 V147	W111-L143 HydrophobicContact CB-CD1 4.06Å; W111-L143 HydrophobicContact CD2-CB 4.46Å; W111-L143 HydrophobicContact CD2-CD1 3.82Å; W111-L143 HydrophobicContact CE3-CD1 4.21Å; W111-L143 HydrophobicContact CG-CB 4.41Å; W111-L143 HydrophobicContact CG-CD1 3.74Å; W111-L143 HydrophobicContact CZ2-CB 4.5Å; V130-L143 HydrophobicContact CG1-CD2 3.79Å; L132-L143 HydrophobicContact CD2-CD2 4.16Å; L132-L143 HydrophobicContact CD2-CG 4.19Å; L132-L143 PolarHBondContact O-N 3.2Å; E134-L143 PolarHBondContact O-N 2.82Å; L143-A145 VanDerWaalsContact C-N 3.26Å; L143-A145 PolarHBondContact O-N 3.1Å; L143-H146 WeakPolarHBondContact O-CA 3.44Å; L143-H146 WeakPolarHBondContact O-CB 3.42Å; L143-H146 PolarHBondContact O-N 2.72Å; L143-V147 HydrophobicContact CD1-CG1 3.77Å; L143-V147 HydrophobicContact CG-CG1 4.37Å; L143-V147 WeakPolarHBondContact O-CG2 3.48Å; L143-V147 PolarHBondContact O-N 3.2Å; L143-V147 VanDerWaalsContact O-N 3.09Å
144	A	87.1	Confident	87.3	Confident	45 Å²	45	51.8 Å²	51.8	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-48.5	-44.4	173.4	0	0	0	0	0	113.1	L132 A142 H146 V147 S148	L132-A144 HydrophobicContact CB-CB 4.37Å; L132-A144 WeakPolarHBondContact O-CB 3.33Å; L132-A144 PolarHBondContact O-N 2.78Å; A142-A144 HydrophobicContact CB-CB 4.48Å; A142-A144 PolarHBondContact O-N 3Å; A144-H146 PolarHBondContact O-N 3.27Å; A144-V147 PolarHBondContact O-N 3.3Å; A144-S148 WeakPolarHBondContact O-CB 3.24Å; A144-S148 PolarHBondContact O-N 2.75Å
145	A	88.8	Confident	87.4	Confident	20 Å²	20	53.4 Å²	53.4	17%	0.165	30%	0.304	C	S	.	.	H	α-helix	trans	-70.2	-13.8	180	0	0	0	0	0	114	K101 A102 H141 A142 L143	K101-A145 PolarHBondContact N-O 3.12Å; A102-A145 HydrophobicContact CB-CB 3.86Å; H141-A145 HydrophobicContact CB-CB 4.4Å; A142-A145 PolarHBondContact O-N 3.11Å; L143-A145 VanDerWaalsContact C-N 3.26Å; L143-A145 PolarHBondContact O-N 3.1Å
146	H	87.1	Confident	87.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-92.4	-33.1	173	-60.1	70.4	0	0	0	111.2	S98 W111 A142 L143 A144 H149	S98-H146 WeakPolarHBondContact CB-O 3.3Å; W111-H146 HydrophobicContact CB-CB 4.31Å; W111-H146 PolarHBondContact N-CD2 2.9Å; A142-H146 PolarHBondContact O-ND1 3.11Å; L143-H146 WeakPolarHBondContact O-CA 3.44Å; L143-H146 WeakPolarHBondContact O-CB 3.42Å; L143-H146 PolarHBondContact O-N 2.72Å; A144-H146 PolarHBondContact O-N 3.27Å; H146-H149 PolarHBondContact O-CE1 2.98Å; H146-H149 PolarHBondContact O-ND1 3.46Å; H146-H149 VanDerWaalsContact O-ND1 3.08Å
147	V	89.1	Confident	87.2	Confident	6 Å²	6	60.2 Å²	60.2	4%	0.036	33%	0.329	C	S	.	.	H	α-helix	trans	-105.9	-4.3	-172.1	-53.3	0	0	0	0	115.4	L91 L132 L143 A144 H149 L150 E151	L91-V147 HydrophobicContact CB-CB 4.4Å; L91-V147 HydrophobicContact CB-CG1 4.4Å; L91-V147 HydrophobicContact CB-CG2 4.32Å; L91-V147 HydrophobicContact CD2-CB 4.1Å; L91-V147 HydrophobicContact CD2-CG2 4.38Å; L91-V147 WeakPolarHBondContact O-CG1 3.42Å; L132-V147 HydrophobicContact CD2-CG2 3.85Å; L143-V147 HydrophobicContact CD1-CG1 3.77Å; L143-V147 HydrophobicContact CG-CG1 4.37Å; L143-V147 WeakPolarHBondContact O-CG2 3.48Å; L143-V147 PolarHBondContact O-N 3.2Å; L143-V147 VanDerWaalsContact O-N 3.09Å; A144-V147 PolarHBondContact O-N 3.3Å; V147-H149 PolarHBondContact O-N 2.91Å; V147-H149 VanDerWaalsContact O-N 3.1Å; V147-L150 HydrophobicContact CB-CD1 4.41Å; V147-L150 WeakPolarHBondContact O-CA 3.32Å; V147-L150 VanDerWaalsContact O-CB 3.3Å; V147-L150 WeakPolarHBondContact O-CB 3.02Å; V147-L150 PolarHBondContact O-N 2.78Å; V147-E151 PolarHBondContact O-N 2.93Å
148	S	87.2	Confident	87.1	Confident	51 Å²	51	51.1 Å²	51.1	36%	0.357	30%	0.295	S	S	.	.	H	α-helix	trans	-49.6	-38.3	178.3	56.7	0	0	0	0	113.5	A144 L150 E151	A144-S148 WeakPolarHBondContact O-CB 3.24Å; A144-S148 PolarHBondContact O-N 2.75Å; S148-L150 PolarHBondContact O-N 2.91Å; S148-L150 VanDerWaalsContact O-N 3.11Å; S148-E151 WeakPolarHBondContact O-CB 3.31Å; S148-E151 PolarHBondContact O-N 3.18Å
149	H	83.8	Confident	87.2	Confident	40 Å²	40	50.4 Å²	50.4	19%	0.185	29%	0.287	C	S	.	.	H	α-helix	trans	-70.4	-3.4	177.9	81.1	-84	0	0	0	115	K101 H146 V147 R201	K101-H149 HydrophobicContact CD-CB 4.38Å; H146-H149 PolarHBondContact O-CE1 2.98Å; H146-H149 PolarHBondContact O-ND1 3.46Å; H146-H149 VanDerWaalsContact O-ND1 3.08Å; V147-H149 PolarHBondContact O-N 2.91Å; V147-H149 VanDerWaalsContact O-N 3.1Å; H149-R201 PolarHBondContact O-NH1 3.35Å
150	L	83.9	Confident	87.1	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-111.3	-10.3	176.4	-56.6	170.5	0	0	0	112.5	R87 L91 L94 V147 S148 N152 V153 L161	R87-L150 PolarHBondContact NH2-O 3.32Å; L91-L150 HydrophobicContact CD2-CB 3.74Å; L91-L150 HydrophobicContact CD2-CD1 4.38Å; L94-L150 HydrophobicContact CB-CD1 3.62Å; L94-L150 HydrophobicContact CD1-CD1 3.94Å; L94-L150 HydrophobicContact CG-CD1 4.37Å; V147-L150 HydrophobicContact CB-CD1 4.41Å; V147-L150 WeakPolarHBondContact O-CA 3.32Å; V147-L150 VanDerWaalsContact O-CB 3.3Å; V147-L150 WeakPolarHBondContact O-CB 3.02Å; V147-L150 PolarHBondContact O-N 2.78Å; S148-L150 PolarHBondContact O-N 2.91Å; S148-L150 VanDerWaalsContact O-N 3.11Å; L150-N152 VanDerWaalsContact C-N 3.33Å; L150-N152 PolarHBondContact O-N 3.32Å; L150-V153 WeakPolarHBondContact O-CB 3.16Å; L150-V153 PolarHBondContact O-N 2.99Å; L150-V153 VanDerWaalsContact O-N 3.1Å; L150-L161 HydrophobicContact CD2-CD1 3.84Å
151	E	81.4	Confident	87.1	Confident	122 Å²	122	47.7 Å²	47.7	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-60.7	-41.1	-173.5	-173.1	161.8	-146.7	0	0	112.3	R87 V147 S148	R87-E151 PolarHBondContact NH2-O 3.18Å; V147-E151 PolarHBondContact O-N 2.93Å; S148-E151 WeakPolarHBondContact O-CB 3.31Å; S148-E151 PolarHBondContact O-N 3.18Å
152	N	83.6	Confident	86.9	Confident	162 Å²	162	45.6 Å²	45.6	87%	0.866	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	17.9	177	-65.3	-35.7	0	0	0	113.8	L150	L150-N152 VanDerWaalsContact C-N 3.33Å; L150-N152 PolarHBondContact O-N 3.32Å
153	V	86.9	Confident	86.9	Confident	15 Å²	15	44.1 Å²	44.1	9%	0.091	24%	0.236	C	C	.	.			trans	-91.3	139.3	-179.3	174.2	0	0	0	0	111.4	R87 L150 E157	R87-V153 PolarHBondContact NH1-O 3.43Å; R87-V153 VanDerWaalsContact NH1-O 3.13Å; R87-V153 PolarHBondContact NH2-O 3.08Å; L150-V153 WeakPolarHBondContact O-CB 3.16Å; L150-V153 PolarHBondContact O-N 2.99Å; L150-V153 VanDerWaalsContact O-N 3.1Å; V153-E157 HydrophobicContact CG1-CB 3.61Å; V153-E157 HydrophobicContact CG1-CG 3.38Å
154	S	89.3	Confident	87	Confident	69 Å²	69	44 Å²	44	48%	0.483	24%	0.236	S	C	.	.			trans	-60.2	150.9	-180	67.1	0	0	0	0	112.4	E156 E157 M158	S154-E156 PolarHBondContact O-N 3.34Å; S154-E157 PolarHBondContact O-N 3.27Å; S154-E157 PolarHBondContact OG-N 2.88Å; S154-M158 WeakPolarHBondContact O-CB 3.39Å; S154-M158 PolarHBondContact O-N 2.89Å
155	E	86.1	Confident	87	Confident	76 Å²	76	41.9 Å²	41.9	36%	0.355	22%	0.218	S	C	.	.	H	α-helix	trans	-59.2	-31.1	177.1	-77.4	-66.3	136.3	0	0	112.4	R87 K90 N159	R87-E155 WeakPolarHBondContact CD-OE1 3.11Å; R87-E155 IonicContact CZ-OE1 2.84Å; R87-E155 IonicContact NE-OE1 3.15Å; R87-E155 IonicContact NH1-OE1 3.06Å; R87-E155 PolarHBondContact NH1-OE1 3.29Å; K90-E155 IonicContact NZ-OE2 3.33Å; K90-E155 PolarHBondContact NZ-OE2 3.31Å; E155-N159 WeakPolarHBondContact O-CB 3.18Å; E155-N159 PolarHBondContact O-N 2.79Å; E155-N159 PolarHBondContact O-ND2 3.45Å
156	E	86.6	Confident	87	Confident	164 Å²	164	41.6 Å²	41.6	77%	0.766	21%	0.214	S	C	*	.	H	α-helix	trans	-64.8	-49.6	175.7	-61.6	-175.1	161	0	0	112.7	S154 M158 N159 R160	S154-E156 PolarHBondContact O-N 3.34Å; E156-M158 VanDerWaalsContact C-N 3.34Å; E156-N159 CarbonylContact O-C 3.55Å; E156-N159 PolarHBondContact O-N 3.31Å; E156-R160 PolarHBondContact O-N 3.13Å
157	E	86.6	Confident	87.2	Confident	43 Å²	43	41.6 Å²	41.6	20%	0.201	21%	0.214	C	C	.	.	H	α-helix	trans	-68	-36.7	178.3	172.4	65.8	174.3	0	0	111	V153 S154 R160 L161	V153-E157 HydrophobicContact CG1-CB 3.61Å; V153-E157 HydrophobicContact CG1-CG 3.38Å; S154-E157 PolarHBondContact O-N 3.27Å; S154-E157 PolarHBondContact OG-N 2.88Å; E157-R160 VanDerWaalsContact CD-NH2 3.3Å; E157-R160 WeakPolarHBondContact O-CB 3.32Å; E157-R160 PolarHBondContact O-N 3.08Å; E157-R160 IonicContact OE1-CZ 2.64Å; E157-R160 IonicContact OE1-NE 3.64Å; E157-R160 IonicContact OE1-NH2 2.73Å; E157-R160 PolarHBondContact OE1-NH2 3.07Å; E157-R160 IonicContact OE2-CZ 4Å; E157-R160 IonicContact OE2-NE 3.71Å; E157-R160 PolarHBondContact OE2-NE 2.99Å; E157-R160 IonicContact OE2-NH2 2.67Å; E157-R160 PolarHBondContact OE2-NH2 2.93Å; E157-R160 VanDerWaalsContact OE2-NH2 3.11Å; E157-L161 HydrophobicContact CG-CD1 4.4Å; E157-L161 WeakPolarHBondContact O-CG 3.47Å; E157-L161 PolarHBondContact O-N 3.15Å
158	M	86.6	Confident	87.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-45	171.1	-169.2	174.4	-73.8	0	0	111.5	R87 K90 L91 L94 S154 E156 R160 L161 L162	R87-M158 HydrophobicContact CG-CE 4.2Å; R87-M158 HydrophobicContact CG-SD 4.03Å; R87-M158 VanDerWaalsContact CZ-CE 3.46Å; K90-M158 HydrophobicContact CB-CG 4.19Å; K90-M158 HydrophobicContact CB-SD 3.55Å; K90-M158 VanDerWaalsContact CB-SD 3.55Å; K90-M158 HydrophobicContact CD-CG 4.15Å; K90-M158 HydrophobicContact CD-SD 3.66Å; K90-M158 HydrophobicContact CG-SD 4.24Å; L91-M158 HydrophobicContact CD2-CE 3.66Å; L91-M158 HydrophobicContact CG-CE 4.22Å; L94-M158 HydrophobicContact CD1-CG 3.66Å; S154-M158 WeakPolarHBondContact O-CB 3.39Å; S154-M158 PolarHBondContact O-N 2.89Å; E156-M158 VanDerWaalsContact C-N 3.34Å; M158-R160 VanDerWaalsContact C-N 3.3Å; M158-R160 PolarHBondContact O-N 3.34Å; M158-L161 PolarHBondContact O-N 3.49Å; M158-L162 HydrophobicContact CG-CD1 4.28Å; M158-L162 VanDerWaalsContact O-CG 3.24Å; M158-L162 WeakPolarHBondContact O-CG 3.49Å; M158-L162 PolarHBondContact O-N 2.71Å
159	N	89.1	Confident	87.2	Confident	38 Å²	38	41.5 Å²	41.5	20%	0.203	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-30.2	175.7	-74.8	-27.8	0	0	0	113	R83 K90 E155 E156 G163	R83-N159 HydrophobicContact CG-CB 4.07Å; K90-N159 PolarHBondContact NZ-OD1 3.28Å; E155-N159 WeakPolarHBondContact O-CB 3.18Å; E155-N159 PolarHBondContact O-N 2.79Å; E155-N159 PolarHBondContact O-ND2 3.45Å; E156-N159 CarbonylContact O-C 3.55Å; E156-N159 PolarHBondContact O-N 3.31Å; N159-G163 PolarHBondContact O-N 2.81Å; N159-G163 VanDerWaalsContact O-N 3.17Å
160	R	89.3	Confident	87.5	Confident	65 Å²	65	41.9 Å²	41.9	25%	0.245	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-52.6	170.3	-173.3	-175	69.8	96.9	-6.1	110.9	E156 E157 M158 L162 G163 I164 R201 G202	E156-R160 PolarHBondContact O-N 3.13Å; E157-R160 VanDerWaalsContact CD-NH2 3.3Å; E157-R160 WeakPolarHBondContact O-CB 3.32Å; E157-R160 PolarHBondContact O-N 3.08Å; E157-R160 IonicContact OE1-CZ 2.64Å; E157-R160 IonicContact OE1-NE 3.64Å; E157-R160 IonicContact OE1-NH2 2.73Å; E157-R160 PolarHBondContact OE1-NH2 3.07Å; E157-R160 IonicContact OE2-CZ 4Å; E157-R160 IonicContact OE2-NE 3.71Å; E157-R160 PolarHBondContact OE2-NE 2.99Å; E157-R160 IonicContact OE2-NH2 2.67Å; E157-R160 PolarHBondContact OE2-NH2 2.93Å; E157-R160 VanDerWaalsContact OE2-NH2 3.11Å; M158-R160 VanDerWaalsContact C-N 3.3Å; M158-R160 PolarHBondContact O-N 3.34Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 2.97Å; R160-G163 WeakPolarHBondContact O-CA 3.46Å; R160-G163 PolarHBondContact O-N 3.32Å; R160-I164 WeakPolarHBondContact O-CG1 3.45Å; R160-I164 PolarHBondContact O-N 2.64Å; R160-I164 VanDerWaalsContact O-N 3.11Å; R160-R201 PolarHBondContact NH2-O 2.85Å; R160-G202 PolarHBondContact NH1-O 3.32Å
161	L	87.9	Confident	87.7	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-60.7	-37.8	-179.6	-66.7	168.8	0	0	0	111.9	L94 L150 E157 M158 G163 I164 V165	L94-L161 HydrophobicContact CD1-CB 4.48Å; L94-L161 HydrophobicContact CD2-CB 3.62Å; L150-L161 HydrophobicContact CD2-CD1 3.84Å; E157-L161 HydrophobicContact CG-CD1 4.4Å; E157-L161 WeakPolarHBondContact O-CG 3.47Å; E157-L161 PolarHBondContact O-N 3.15Å; M158-L161 PolarHBondContact O-N 3.49Å; L161-G163 VanDerWaalsContact C-N 3.34Å; L161-G163 PolarHBondContact O-N 3.29Å; L161-I164 HydrophobicContact CD2-CD1 4.4Å; L161-I164 PolarHBondContact O-N 2.88Å; L161-V165 PolarHBondContact O-N 3.2Å
162	L	87.8	Confident	88	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-34.5	172.6	-69.8	166.1	0	0	0	113.1	L82 K90 K93 L94 M158 R160 I164 V165 L166	L82-L162 HydrophobicContact CD2-CB 4.3Å; L82-L162 HydrophobicContact CD2-CD2 3.88Å; L82-L162 HydrophobicContact CG-CD1 4.42Å; L82-L162 HydrophobicContact CG-CD2 4.12Å; K90-L162 HydrophobicContact CB-CD1 3.86Å; K90-L162 HydrophobicContact CB-CD2 4.47Å; K90-L162 HydrophobicContact CD-CD1 3.7Å; K90-L162 HydrophobicContact CG-CD1 3.63Å; K93-L162 HydrophobicContact CB-CD2 4.16Å; L94-L162 HydrophobicContact CD1-CD2 4.24Å; L94-L162 HydrophobicContact CD1-CG 4.23Å; L94-L162 HydrophobicContact CD2-CD2 4.08Å; L94-L162 HydrophobicContact CD2-CG 4.27Å; L94-L162 HydrophobicContact CG-CD2 3.82Å; L94-L162 HydrophobicContact CG-CG 4.24Å; M158-L162 HydrophobicContact CG-CD1 4.28Å; M158-L162 VanDerWaalsContact O-CG 3.24Å; M158-L162 WeakPolarHBondContact O-CG 3.49Å; M158-L162 PolarHBondContact O-N 2.71Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 2.97Å; L162-I164 VanDerWaalsContact C-N 3.34Å; L162-V165 PolarHBondContact O-N 3.1Å; L162-L166 PolarHBondContact O-N 3Å; L162-L166 VanDerWaalsContact O-N 3.1Å
163	G	88.6	Confident	88.3	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-59.1	-46.2	170.8	0	0	0	0	0	111.6	K79 N159 R160 L161 L166 D167	K79-G163 WeakPolarHBondContact CE-O 3.17Å; N159-G163 PolarHBondContact O-N 2.81Å; N159-G163 VanDerWaalsContact O-N 3.17Å; R160-G163 WeakPolarHBondContact O-CA 3.46Å; R160-G163 PolarHBondContact O-N 3.32Å; L161-G163 VanDerWaalsContact C-N 3.34Å; L161-G163 PolarHBondContact O-N 3.29Å; G163-L166 PolarHBondContact O-N 3.46Å; G163-D167 PolarHBondContact O-N 2.98Å
164	I	89.5	Confident	88.4	Confident	1 Å²	1	36 Å²	36	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-41	178.1	-54.4	168.1	0	0	0	111.1	R160 L161 L162 L166 D167 V168 L194 I198 S297	R160-I164 WeakPolarHBondContact O-CG1 3.45Å; R160-I164 PolarHBondContact O-N 2.64Å; R160-I164 VanDerWaalsContact O-N 3.11Å; L161-I164 HydrophobicContact CD2-CD1 4.4Å; L161-I164 PolarHBondContact O-N 2.88Å; L162-I164 VanDerWaalsContact C-N 3.34Å; I164-L166 PolarHBondContact O-N 3.48Å; I164-D167 PolarHBondContact O-N 3.28Å; I164-V168 HydrophobicContact CG2-CG2 4.43Å; I164-V168 VanDerWaalsContact O-CG2 3.32Å; I164-V168 WeakPolarHBondContact O-CG2 3.33Å; I164-V168 PolarHBondContact O-N 3.43Å; I164-L194 HydrophobicContact CG2-CB 3.8Å; I164-L194 HydrophobicContact CG2-CD1 4.43Å; I164-L194 HydrophobicContact CG2-CD2 4.15Å; I164-L194 HydrophobicContact CG2-CG 4.34Å; I164-I198 HydrophobicContact CB-CD1 4.43Å; I164-I198 HydrophobicContact CB-CG1 4.03Å; I164-I198 HydrophobicContact CG2-CD1 3.89Å; I164-I198 HydrophobicContact CG2-CG1 3.57Å; I164-S297 WeakPolarHBondContact CA-OG 3.35Å; I164-S297 WeakPolarHBondContact CG1-OG 3.49Å; I164-S297 PolarHBondContact N-OG 3.06Å
165	V	88.4	Confident	88.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.5	-47.1	175.1	165	0	0	0	0	111.7	L94 Y97 L161 L162 D167 V168 E169 I198	L94-V165 HydrophobicContact CD2-CG2 3.98Å; Y97-V165 HydrophobicContact CD2-CB 4.47Å; Y97-V165 HydrophobicContact CD2-CG1 3.97Å; Y97-V165 HydrophobicContact CD2-CG2 3.69Å; Y97-V165 HydrophobicContact CE2-CB 4.44Å; Y97-V165 HydrophobicContact CE2-CG1 3.57Å; Y97-V165 HydrophobicContact CE2-CG2 4.14Å; Y97-V165 HydrophobicContact CG-CG2 4.12Å; L161-V165 PolarHBondContact O-N 3.2Å; L162-V165 PolarHBondContact O-N 3.1Å; V165-D167 VanDerWaalsContact C-N 3.31Å; V165-D167 PolarHBondContact O-N 2.93Å; V165-V168 WeakPolarHBondContact O-CB 3.29Å; V165-V168 PolarHBondContact O-N 2.86Å; V165-E169 PolarHBondContact O-N 3.45Å; V165-I198 HydrophobicContact CG2-CD1 3.74Å
166	L	88.4	Confident	88.3	Confident	14 Å²	14	35.8 Å²	35.8	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-67.3	-31.6	178.8	-73.5	172.2	0	0	0	112.7	K78 K79 L82 L162 G163 I164 Y170	K78-L166 HydrophobicContact CB-CD1 4.45Å; K79-L166 HydrophobicContact CB-CD1 4.2Å; K79-L166 HydrophobicContact CG-CB 4.18Å; K79-L166 HydrophobicContact CG-CD1 3.54Å; L82-L166 HydrophobicContact CB-CD1 4.14Å; L82-L166 HydrophobicContact CD2-CD1 3.65Å; L82-L166 HydrophobicContact CD2-CD2 4.23Å; L82-L166 HydrophobicContact CD2-CG 3.9Å; L162-L166 PolarHBondContact O-N 3Å; L162-L166 VanDerWaalsContact O-N 3.1Å; G163-L166 PolarHBondContact O-N 3.46Å; I164-L166 PolarHBondContact O-N 3.48Å; L166-Y170 WeakPolarHBondContact O-CB 3.46Å; L166-Y170 PolarHBondContact O-N 2.55Å
167	D	90.3	Very high	88.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-71	-34.8	172.4	-71.3	-21.9	0	0	0	112.4	K79 G163 I164 V165 Y170 L171 L194 C295 S297	K79-D167 WeakPolarHBondContact CE-OD1 3.17Å; K79-D167 IonicContact NZ-OD1 3.84Å; K79-D167 PolarHBondContact NZ-OD1 3.36Å; K79-D167 IonicContact NZ-OD2 2.71Å; K79-D167 PolarHBondContact NZ-OD2 3.06Å; G163-D167 PolarHBondContact O-N 2.98Å; I164-D167 PolarHBondContact O-N 3.28Å; V165-D167 VanDerWaalsContact C-N 3.31Å; V165-D167 PolarHBondContact O-N 2.93Å; D167-Y170 PolarHBondContact O-N 3.22Å; D167-L171 VanDerWaalsContact O-CB 3.28Å; D167-L171 WeakPolarHBondContact O-CB 3.33Å; D167-L171 PolarHBondContact O-N 3.37Å; D167-L194 HydrophobicContact CB-CD1 3.59Å; D167-C295 HydrophobicContact CB-CB 4.09Å; D167-C295 WeakPolarHBondContact OD1-CA 3.34Å; D167-C295 WeakPolarHBondContact OD2-CA 3.08Å; D167-S297 WeakPolarHBondContact OD2-CB 3.42Å; D167-S297 PolarHBondContact OD2-N 3.15Å; D167-S297 PolarHBondContact OD2-OG 2.88Å
168	V	90	Very high	88.6	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-44.3	171.6	168.9	0	0	0	0	111.2	Y97 I164 V165 F172 F191 L194 I198	Y97-V168 HydrophobicContact CE1-CG1 3.73Å; I164-V168 HydrophobicContact CG2-CG2 4.43Å; I164-V168 VanDerWaalsContact O-CG2 3.32Å; I164-V168 WeakPolarHBondContact O-CG2 3.33Å; I164-V168 PolarHBondContact O-N 3.43Å; V165-V168 WeakPolarHBondContact O-CB 3.29Å; V165-V168 PolarHBondContact O-N 2.86Å; V168-F172 WeakPolarHBondContact O-CB 3.45Å; V168-F172 PolarHBondContact O-N 3.33Å; V168-F191 HydrophobicContact CG1-CD2 3.85Å; V168-F191 HydrophobicContact CG1-CE2 3.62Å; V168-L194 HydrophobicContact CG2-CB 3.42Å; V168-L194 VanDerWaalsContact CG2-CB 3.42Å; V168-L194 HydrophobicContact CG2-CD1 4.27Å; V168-I198 HydrophobicContact CG2-CD1 4.04Å
169	E	87.6	Confident	88.7	Confident	54 Å²	54	45 Å²	45	25%	0.252	21%	0.211	S	C	.	.	H	α-helix	trans	-62.2	-40.9	174.9	-72.1	-175.6	178.1	0	0	112.3	K93 V165 T173	K93-E169 IonicContact NZ-OE1 2.72Å; K93-E169 PolarHBondContact NZ-OE1 3.34Å; V165-E169 PolarHBondContact O-N 3.45Å; E169-T173 PolarHBondContact O-N 2.96Å; E169-T173 PolarHBondContact O-OG1 3.25Å
170	Y	88.9	Confident	88.6	Confident	47 Å²	47	44.1 Å²	44.1	18%	0.184	21%	0.206	C	C	.	.	H	α-helix	trans	-72.1	-47.2	178.4	-171.5	-100.9	0	0	0	112.6	I75 L166 D167 F172 T173 C174 F294	I75-Y170 HydrophobicContact CD1-CD1 3.38Å; I75-Y170 HydrophobicContact CD1-CD2 3.5Å; I75-Y170 HydrophobicContact CD1-CE1 3.64Å; I75-Y170 HydrophobicContact CD1-CE2 3.75Å; I75-Y170 HydrophobicContact CD1-CG 3.3Å; I75-Y170 HydrophobicContact CG1-CD1 4.39Å; I75-Y170 HydrophobicContact CG1-CD2 3.61Å; I75-Y170 HydrophobicContact CG1-CE2 3.97Å; I75-Y170 HydrophobicContact CG1-CG 3.83Å; L166-Y170 WeakPolarHBondContact O-CB 3.46Å; L166-Y170 PolarHBondContact O-N 2.55Å; D167-Y170 PolarHBondContact O-N 3.22Å; Y170-F172 VanDerWaalsContact C-N 3.29Å; Y170-F172 PolarHBondContact O-N 2.86Å; Y170-T173 CarbonylContact O-C 3.34Å; Y170-T173 WeakPolarHBondContact O-CA 3.39Å; Y170-T173 VanDerWaalsContact O-CB 3.25Å; Y170-T173 WeakPolarHBondContact O-CB 3.41Å; Y170-T173 PolarHBondContact O-N 3.33Å; Y170-C174 WeakPolarHBondContact CE1-SG 3.44Å; Y170-C174 PolarHBondContact O-N 3.32Å; Y170-C174 PolarHBondContact O-SG 3.09Å; Y170-F294 AromaticContact CD1-CD2 3.67Å; Y170-F294 HydrophobicContact CD1-CD2 3.67Å; Y170-F294 AromaticContact CD1-CE2 3.92Å; Y170-F294 HydrophobicContact CD1-CE2 3.92Å; Y170-F294 AromaticContact CE1-CD2 3.43Å; Y170-F294 HydrophobicContact CE1-CD2 3.43Å; Y170-F294 VanDerWaalsContact CE1-CD2 3.43Å; Y170-F294 AromaticContact CE1-CE2 3.65Å; Y170-F294 HydrophobicContact CE1-CE2 3.65Å; Y170-F294 HydrophobicContact CE1-CG 4.22Å
171	L	89.9	Confident	88.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-36.7	176.1	-83.4	165.8	0	0	0	112.1	D167 T173 C174 V175 Y187 L190 F191 L194 V291 F294	D167-L171 VanDerWaalsContact O-CB 3.28Å; D167-L171 WeakPolarHBondContact O-CB 3.33Å; D167-L171 PolarHBondContact O-N 3.37Å; L171-T173 VanDerWaalsContact C-N 3.28Å; L171-T173 PolarHBondContact O-N 2.84Å; L171-C174 WeakPolarHBondContact O-CB 3.22Å; L171-C174 PolarHBondContact O-N 2.85Å; L171-C174 VanDerWaalsContact O-N 3.17Å; L171-V175 WeakPolarHBondContact O-CG2 3.48Å; L171-V175 PolarHBondContact O-N 2.85Å; L171-Y187 HydrophobicContact CD2-CD1 4.11Å; L171-Y187 HydrophobicContact CD2-CG 4.32Å; L171-L190 HydrophobicContact CD1-CB 4.1Å; L171-F191 HydrophobicContact CB-CB 4.4Å; L171-L194 HydrophobicContact CD1-CD1 3.8Å; L171-V291 HydrophobicContact CD1-CG1 4.35Å; L171-V291 HydrophobicContact CD2-CG1 3.91Å; L171-F294 HydrophobicContact CD2-CE2 4.39Å
172	F	87.6	Confident	88.6	Confident	101 Å²	101	45.2 Å²	45.2	44%	0.443	23%	0.227	S	C	.	.	H	α-helix	trans	-59.3	-41	171	-176.2	-95.1	0	0	0	111.7	V168 Y170 V175 H176 F191	V168-F172 WeakPolarHBondContact O-CB 3.45Å; V168-F172 PolarHBondContact O-N 3.33Å; Y170-F172 VanDerWaalsContact C-N 3.29Å; Y170-F172 PolarHBondContact O-N 2.86Å; F172-V175 PolarHBondContact O-N 2.81Å; F172-H176 AromaticContact CD1-ND1 3.93Å; F172-H176 AromaticContact CD2-CE1 3.96Å; F172-H176 AromaticContact CE1-CE1 3.6Å; F172-H176 AromaticContact CE1-ND1 3.78Å; F172-H176 AromaticContact CE2-CE1 3.45Å; F172-H176 VanDerWaalsContact CE2-CE1 3.45Å; F172-H176 WeakPolarHBondContact CE2-CE1 3.36Å; F172-H176 AromaticContact CZ-CE1 3.25Å; F172-H176 WeakPolarHBondContact CZ-CE1 3.25Å; F172-H176 AromaticContact CZ-ND1 3.9Å; F172-H176 AromaticContact CZ-NE2 3.97Å; F172-H176 PolarHBondContact O-N 2.82Å; F172-H176 PolarHBondContact O-ND1 2.8Å; F172-F191 HydrophobicContact CB-CD2 4Å; F172-F191 HydrophobicContact CB-CE2 3.84Å; F172-F191 HydrophobicContact CD2-CD2 4.36Å; F172-F191 AromaticContact CD2-CE2 3.66Å; F172-F191 HydrophobicContact CD2-CE2 3.66Å; F172-F191 AromaticContact CD2-CZ 3.82Å; F172-F191 HydrophobicContact CD2-CZ 3.82Å; F172-F191 HydrophobicContact CE2-CZ 4.49Å; F172-F191 HydrophobicContact CG-CE2 4.2Å
173	T	88.7	Confident	88.7	Confident	60 Å²	60	45.3 Å²	45.3	37%	0.368	23%	0.227	S	C	.	.	H	α-helix	trans	-65	-39.7	174	-54.2	0	0	0	0	111.8	E169 Y170 L171 H176 K177	E169-T173 PolarHBondContact O-N 2.96Å; E169-T173 PolarHBondContact O-OG1 3.25Å; Y170-T173 CarbonylContact O-C 3.34Å; Y170-T173 WeakPolarHBondContact O-CA 3.39Å; Y170-T173 VanDerWaalsContact O-CB 3.25Å; Y170-T173 WeakPolarHBondContact O-CB 3.41Å; Y170-T173 PolarHBondContact O-N 3.33Å; L171-T173 VanDerWaalsContact C-N 3.28Å; L171-T173 PolarHBondContact O-N 2.84Å; T173-H176 PolarHBondContact O-N 2.86Å; T173-K177 HydrophobicContact CG2-CD 4.23Å; T173-K177 WeakPolarHBondContact O-CG 3.45Å; T173-K177 PolarHBondContact O-N 2.95Å; T173-K177 VanDerWaalsContact O-N 3.15Å
174	C	88.6	Confident	88.9	Confident	18 Å²	18	49 Å²	49	12%	0.122	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-47.3	173.9	-68.2	0	0	0	0	112	Y170 L171 H176 K177 E178 Y187	Y170-C174 WeakPolarHBondContact CE1-SG 3.44Å; Y170-C174 PolarHBondContact O-N 3.32Å; Y170-C174 PolarHBondContact O-SG 3.09Å; L171-C174 WeakPolarHBondContact O-CB 3.22Å; L171-C174 PolarHBondContact O-N 2.85Å; L171-C174 VanDerWaalsContact O-N 3.17Å; C174-H176 PolarHBondContact O-N 2.82Å; C174-H176 VanDerWaalsContact O-N 3.16Å; C174-K177 PolarHBondContact O-N 2.67Å; C174-E178 VanDerWaalsContact O-CB 3.31Å; C174-E178 WeakPolarHBondContact O-CB 3.41Å; C174-E178 PolarHBondContact O-N 3.49Å; C174-Y187 HydrophobicContact CB-CD2 3.86Å; C174-Y187 HydrophobicContact CB-CE2 4.03Å; C174-Y187 HydrophobicContact CB-CG 4.44Å
175	V	89.8	Confident	89	Confident	16 Å²	16	55 Å²	55	10%	0.097	27%	0.271	C	S	.	.	H	α-helix	trans	-55.7	-34.1	177	170.5	0	0	0	0	112.3	L171 F172 K184 F188	L171-V175 WeakPolarHBondContact O-CG2 3.48Å; L171-V175 PolarHBondContact O-N 2.85Å; F172-V175 PolarHBondContact O-N 2.81Å; V175-K184 HydrophobicContact CG1-CG 4.35Å; V175-K184 WeakPolarHBondContact O-CE 3.25Å; V175-K184 PolarHBondContact O-NZ 3.16Å; V175-F188 HydrophobicContact CG2-CB 4.18Å
176	H	84.2	Confident	89.1	Confident	124 Å²	124	55.5 Å²	55.5	57%	0.574	27%	0.274	S	S	*	.	H	α-helix	trans	-81.2	-25.5	178.1	-73.4	79	0	0	0	114	F172 T173 C174	F172-H176 AromaticContact CD1-ND1 3.93Å; F172-H176 AromaticContact CD2-CE1 3.96Å; F172-H176 AromaticContact CE1-CE1 3.6Å; F172-H176 AromaticContact CE1-ND1 3.78Å; F172-H176 AromaticContact CE2-CE1 3.45Å; F172-H176 VanDerWaalsContact CE2-CE1 3.45Å; F172-H176 WeakPolarHBondContact CE2-CE1 3.36Å; F172-H176 AromaticContact CZ-CE1 3.25Å; F172-H176 WeakPolarHBondContact CZ-CE1 3.25Å; F172-H176 AromaticContact CZ-ND1 3.9Å; F172-H176 AromaticContact CZ-NE2 3.97Å; F172-H176 PolarHBondContact O-N 2.82Å; F172-H176 PolarHBondContact O-ND1 2.8Å; T173-H176 PolarHBondContact O-N 2.86Å; C174-H176 PolarHBondContact O-N 2.82Å; C174-H176 VanDerWaalsContact O-N 3.16Å
177	K	88.7	Confident	89.3	Confident	165 Å²	165	55.7 Å²	55.7	72%	0.717	27%	0.274	S	S	*	.	H	α-helix	trans	-89.8	-21.4	176.4	-71.1	-179.7	178	-175.5	0	114	T173 C174	T173-K177 HydrophobicContact CG2-CD 4.23Å; T173-K177 WeakPolarHBondContact O-CG 3.45Å; T173-K177 PolarHBondContact O-N 2.95Å; T173-K177 VanDerWaalsContact O-N 3.15Å; C174-K177 PolarHBondContact O-N 2.67Å
178	E	90.2	Very high	89.2	Confident	49 Å²	49	60.2 Å²	60.2	23%	0.229	29%	0.294	C	S	.	.			trans	-75.1	127.8	-175	-170.3	53.7	-96.3	0	0	111.4	C174 D180 T183 K184 Y187	C174-E178 VanDerWaalsContact O-CB 3.31Å; C174-E178 WeakPolarHBondContact O-CB 3.41Å; C174-E178 PolarHBondContact O-N 3.49Å; E178-D180 PolarHBondContact OE1-N 3.26Å; E178-D180 VanDerWaalsContact OE1-N 3.14Å; E178-T183 HydrophobicContact CG-CG2 3.89Å; E178-T183 WeakPolarHBondContact OE2-CG2 3.22Å; E178-K184 HydrophobicContact CB-CB 4.2Å; E178-K184 HydrophobicContact CB-CG 4.39Å; E178-K184 HydrophobicContact CG-CB 3.95Å; E178-K184 PolarHBondContact O-NZ 3.09Å; E178-Y187 HydrophobicContact CB-CD2 4.08Å; E178-Y187 HydrophobicContact CB-CE2 4.06Å; E178-Y187 HydrophobicContact CG-CD2 4.15Å; E178-Y187 HydrophobicContact CG-CE2 3.92Å; E178-Y187 WeakPolarHBondContact OE2-CE2 3.5Å
179	E	88.4	Confident	89.3	Confident	187 Å²	187	63.8 Å²	63.8	87%	0.874	31%	0.308	S	S	*	.			trans	-93.5	-32.1	178.9	-65.7	-177.6	176.5	0	0	111.1	A181	E179-A181 PolarHBondContact O-N 3.45Å
180	D	88.4	Confident	89.4	Confident	18 Å²	18	61.2 Å²	61.2	10%	0.096	30%	0.296	C	S	.	.			trans	-75.8	124	-178.4	178.4	-108.8	0	0	0	112.4	E178 D182 T183 K184 A262 S264	E178-D180 PolarHBondContact OE1-N 3.26Å; E178-D180 VanDerWaalsContact OE1-N 3.14Å; D180-D182 PolarHBondContact O-N 2.94Å; D180-D182 PolarHBondContact OD1-N 2.92Å; D180-T183 PolarHBondContact O-N 3.32Å; D180-T183 VanDerWaalsContact OD1-CB 3.28Å; D180-T183 WeakPolarHBondContact OD1-CB 3.41Å; D180-T183 PolarHBondContact OD1-N 2.87Å; D180-T183 PolarHBondContact OD1-OG1 3.29Å; D180-K184 WeakPolarHBondContact O-CB 3.39Å; D180-K184 PolarHBondContact O-N 2.86Å; D180-A262 HydrophobicContact CB-CB 4.37Å; D180-S264 VanDerWaalsContact OD2-CB 3.27Å; D180-S264 WeakPolarHBondContact OD2-CB 3.33Å; D180-S264 PolarHBondContact OD2-OG 3.43Å
181	A	88.1	Confident	89.5	Confident	72 Å²	72	60.3 Å²	60.3	60%	0.595	29%	0.293	S	S	*	.	H	α-helix	trans	-64.6	-38.9	-174.3	0	0	0	0	0	113.5	E179 Q185	E179-A181 PolarHBondContact O-N 3.45Å; A181-Q185 WeakPolarHBondContact O-CB 3.33Å; A181-Q185 PolarHBondContact O-N 3.3Å
182	D	88	Confident	89.4	Confident	20 Å²	20	65.9 Å²	65.9	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-68	-47.8	-179.9	-70.3	-40.8	0	0	0	110.2	D180 Q185 V186 P263 K279	D180-D182 PolarHBondContact O-N 2.94Å; D180-D182 PolarHBondContact OD1-N 2.92Å; D182-Q185 WeakPolarHBondContact O-CB 3.44Å; D182-Q185 PolarHBondContact O-N 3.25Å; D182-V186 PolarHBondContact O-N 2.83Å; D182-P263 HydrophobicContact CB-CG 4.3Å; D182-K279 VanDerWaalsContact OD1-CE 3.27Å; D182-K279 WeakPolarHBondContact OD1-CE 3.49Å; D182-K279 IonicContact OD1-NZ 2.9Å; D182-K279 PolarHBondContact OD1-NZ 2.76Å
183	T	91.3	Very high	89.5	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-45.1	177.2	-53	0	0	0	0	111.8	E178 D180 Q185 V186 Y187 Y282 L286	E178-T183 HydrophobicContact CG-CG2 3.89Å; E178-T183 WeakPolarHBondContact OE2-CG2 3.22Å; D180-T183 PolarHBondContact O-N 3.32Å; D180-T183 VanDerWaalsContact OD1-CB 3.28Å; D180-T183 WeakPolarHBondContact OD1-CB 3.41Å; D180-T183 PolarHBondContact OD1-N 2.87Å; D180-T183 PolarHBondContact OD1-OG1 3.29Å; T183-Q185 VanDerWaalsContact C-N 3.32Å; T183-Q185 PolarHBondContact O-N 3.04Å; T183-V186 PolarHBondContact O-N 2.95Å; T183-V186 VanDerWaalsContact O-N 3.14Å; T183-Y187 HydrophobicContact CG2-CD2 4.26Å; T183-Y187 HydrophobicContact CG2-CE1 4.04Å; T183-Y187 HydrophobicContact CG2-CE2 3.62Å; T183-Y187 VanDerWaalsContact CG2-CZ 3.48Å; T183-Y187 PolarHBondContact O-N 3.25Å; T183-Y282 PolarHBondContact OG1-OH 2.79Å; T183-Y282 VanDerWaalsContact OG1-OH 3.07Å; T183-L286 HydrophobicContact CG2-CD1 4.02Å
184	K	92.1	Very high	89.5	Confident	80 Å²	80	58.7 Å²	58.7	35%	0.348	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-37.5	177.5	-168	-178.3	-162.4	111.1	0	112.3	V175 E178 D180 F188	V175-K184 HydrophobicContact CG1-CG 4.35Å; V175-K184 WeakPolarHBondContact O-CE 3.25Å; V175-K184 PolarHBondContact O-NZ 3.16Å; E178-K184 HydrophobicContact CB-CB 4.2Å; E178-K184 HydrophobicContact CB-CG 4.39Å; E178-K184 HydrophobicContact CG-CB 3.95Å; E178-K184 PolarHBondContact O-NZ 3.09Å; D180-K184 WeakPolarHBondContact O-CB 3.39Å; D180-K184 PolarHBondContact O-N 2.86Å; K184-F188 VanDerWaalsContact O-CB 3.32Å; K184-F188 WeakPolarHBondContact O-CB 3.43Å; K184-F188 PolarHBondContact O-N 2.95Å
185	Q	90.6	Very high	89.3	Confident	126 Å²	126	63.2 Å²	63.2	59%	0.589	30%	0.295	S	S	*	.	H	α-helix	trans	-62	-42.6	174.2	-172.9	177.8	8.3	0	0	111.2	A181 D182 T183 F188 Y189	A181-Q185 WeakPolarHBondContact O-CB 3.33Å; A181-Q185 PolarHBondContact O-N 3.3Å; D182-Q185 WeakPolarHBondContact O-CB 3.44Å; D182-Q185 PolarHBondContact O-N 3.25Å; T183-Q185 VanDerWaalsContact C-N 3.32Å; T183-Q185 PolarHBondContact O-N 3.04Å; Q185-F188 PolarHBondContact O-N 3.3Å; Q185-Y189 WeakPolarHBondContact O-CB 3.45Å; Q185-Y189 PolarHBondContact O-N 3.17Å
186	V	90.8	Very high	89.1	Confident	11 Å²	11	65.9 Å²	65.9	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-68	-46.2	177.8	-179.8	0	0	0	0	111.8	D182 T183 F188 Y189 L190 T283 L286	D182-V186 PolarHBondContact O-N 2.83Å; T183-V186 PolarHBondContact O-N 2.95Å; T183-V186 VanDerWaalsContact O-N 3.14Å; V186-F188 VanDerWaalsContact C-N 3.29Å; V186-F188 PolarHBondContact O-N 3.03Å; V186-Y189 WeakPolarHBondContact O-CB 3.34Å; V186-Y189 PolarHBondContact O-N 3.49Å; V186-L190 HydrophobicContact CG1-CD1 4.03Å; V186-L190 HydrophobicContact CG1-CG 4.43Å; V186-L190 WeakPolarHBondContact O-CG 3.49Å; V186-L190 PolarHBondContact O-N 3.01Å; V186-T283 HydrophobicContact CG2-CG2 3.85Å; V186-L286 HydrophobicContact CB-CD1 3.89Å; V186-L286 HydrophobicContact CG1-CB 3.79Å; V186-L286 HydrophobicContact CG1-CD1 4.01Å; V186-L286 HydrophobicContact CG2-CD1 4.08Å
187	Y	92.9	Very high	89.2	Confident	17 Å²	17	60.3 Å²	60.3	7%	0.067	28%	0.281	C	S	.	.	H	α-helix	trans	-59.9	-38.6	175.1	-64.6	-21.7	0	0	0	112.2	L171 C174 E178 T183 L190 F191 L286 V291	L171-Y187 HydrophobicContact CD2-CD1 4.11Å; L171-Y187 HydrophobicContact CD2-CG 4.32Å; C174-Y187 HydrophobicContact CB-CD2 3.86Å; C174-Y187 HydrophobicContact CB-CE2 4.03Å; C174-Y187 HydrophobicContact CB-CG 4.44Å; E178-Y187 HydrophobicContact CB-CD2 4.08Å; E178-Y187 HydrophobicContact CB-CE2 4.06Å; E178-Y187 HydrophobicContact CG-CD2 4.15Å; E178-Y187 HydrophobicContact CG-CE2 3.92Å; E178-Y187 WeakPolarHBondContact OE2-CE2 3.5Å; T183-Y187 HydrophobicContact CG2-CD2 4.26Å; T183-Y187 HydrophobicContact CG2-CE1 4.04Å; T183-Y187 HydrophobicContact CG2-CE2 3.62Å; T183-Y187 VanDerWaalsContact CG2-CZ 3.48Å; T183-Y187 PolarHBondContact O-N 3.25Å; Y187-L190 PolarHBondContact O-N 3.42Å; Y187-F191 VanDerWaalsContact O-CB 3.28Å; Y187-F191 WeakPolarHBondContact O-CB 3.41Å; Y187-F191 PolarHBondContact O-N 3.48Å; Y187-L286 HydrophobicContact CE1-CD2 4.28Å; Y187-V291 HydrophobicContact CD1-CG2 4.01Å; Y187-V291 HydrophobicContact CE1-CG2 3.74Å
188	F	89.5	Confident	88.9	Confident	96 Å²	96	52.8 Å²	52.8	42%	0.421	25%	0.248	S	C	.	.	H	α-helix	trans	-70.3	-34.7	177.9	-175	-127.3	0	0	0	112.8	V175 K184 Q185 V186 F191 K192	V175-F188 HydrophobicContact CG2-CB 4.18Å; K184-F188 VanDerWaalsContact O-CB 3.32Å; K184-F188 WeakPolarHBondContact O-CB 3.43Å; K184-F188 PolarHBondContact O-N 2.95Å; Q185-F188 PolarHBondContact O-N 3.3Å; V186-F188 VanDerWaalsContact C-N 3.29Å; V186-F188 PolarHBondContact O-N 3.03Å; F188-F191 AromaticContact CD2-CD1 3.99Å; F188-F191 HydrophobicContact CD2-CD1 3.99Å; F188-F191 HydrophobicContact CE2-CD1 4.17Å; F188-F191 HydrophobicContact CE2-CE1 4.34Å; F188-K192 VanDerWaalsContact CE1-CE 3.45Å; F188-K192 VanDerWaalsContact CZ-CE 3.47Å; F188-K192 WeakPolarHBondContact O-CG 3.48Å; F188-K192 PolarHBondContact O-N 3Å; F188-K192 VanDerWaalsContact O-N 3.07Å
189	Y	91	Very high	88.4	Confident	75 Å²	75	53.6 Å²	53.6	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-62.8	-49	169.3	165.2	-89	0	0	0	111.4	Q185 V186 F191 K192 L193 V206 E207	Q185-Y189 WeakPolarHBondContact O-CB 3.45Å; Q185-Y189 PolarHBondContact O-N 3.17Å; V186-Y189 WeakPolarHBondContact O-CB 3.34Å; V186-Y189 PolarHBondContact O-N 3.49Å; Y189-F191 PolarHBondContact O-N 3.43Å; Y189-K192 WeakPolarHBondContact O-CB 3.41Å; Y189-K192 PolarHBondContact O-N 3.45Å; Y189-K192 VanDerWaalsContact O-N 3.13Å; Y189-L193 HydrophobicContact CE1-CD2 4.34Å; Y189-L193 PolarHBondContact O-N 2.9Å; Y189-V206 HydrophobicContact CE1-CG1 4.1Å; Y189-V206 WeakPolarHBondContact OH-CA 3.46Å; Y189-V206 WeakPolarHBondContact OH-CG1 3.27Å; Y189-E207 PolarHBondContact OH-N 2.96Å; Y189-E207 PolarHBondContact OH-O 2.95Å
190	L	90.5	Very high	88	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-38.9	179.5	-66.3	170.9	0	0	0	111.8	L171 V186 Y187 K192 L193 L194 V206 V291 L298	L171-L190 HydrophobicContact CD1-CB 4.1Å; V186-L190 HydrophobicContact CG1-CD1 4.03Å; V186-L190 HydrophobicContact CG1-CG 4.43Å; V186-L190 WeakPolarHBondContact O-CG 3.49Å; V186-L190 PolarHBondContact O-N 3.01Å; Y187-L190 PolarHBondContact O-N 3.42Å; L190-K192 PolarHBondContact O-N 3.1Å; L190-L193 HydrophobicContact CD2-CD2 4.35Å; L190-L193 PolarHBondContact O-N 3.35Å; L190-L194 WeakPolarHBondContact O-CG 3.48Å; L190-L194 PolarHBondContact O-N 3.18Å; L190-V206 HydrophobicContact CD2-CG2 4.38Å; L190-V291 HydrophobicContact CD1-CB 3.92Å; L190-V291 HydrophobicContact CD1-CG1 3.88Å; L190-V291 HydrophobicContact CD1-CG2 3.82Å; L190-L298 HydrophobicContact CD1-CD1 4.35Å; L190-L298 HydrophobicContact CD2-CD1 4.14Å; L190-L298 HydrophobicContact CD2-CD2 4.43Å
191	F	89.8	Confident	87.4	Confident	29 Å²	29	55.1 Å²	55.1	13%	0.127	26%	0.256	C	S	.	.	H	α-helix	trans	-56.3	-45.7	170.3	165.2	-96.1	0	0	0	112.3	V168 L171 F172 Y187 F188 Y189 R195	V168-F191 HydrophobicContact CG1-CD2 3.85Å; V168-F191 HydrophobicContact CG1-CE2 3.62Å; L171-F191 HydrophobicContact CB-CB 4.4Å; F172-F191 HydrophobicContact CB-CD2 4Å; F172-F191 HydrophobicContact CB-CE2 3.84Å; F172-F191 HydrophobicContact CD2-CD2 4.36Å; F172-F191 AromaticContact CD2-CE2 3.66Å; F172-F191 HydrophobicContact CD2-CE2 3.66Å; F172-F191 AromaticContact CD2-CZ 3.82Å; F172-F191 HydrophobicContact CD2-CZ 3.82Å; F172-F191 HydrophobicContact CE2-CZ 4.49Å; F172-F191 HydrophobicContact CG-CE2 4.2Å; Y187-F191 VanDerWaalsContact O-CB 3.28Å; Y187-F191 WeakPolarHBondContact O-CB 3.41Å; Y187-F191 PolarHBondContact O-N 3.48Å; F188-F191 AromaticContact CD2-CD1 3.99Å; F188-F191 HydrophobicContact CD2-CD1 3.99Å; F188-F191 HydrophobicContact CE2-CD1 4.17Å; F188-F191 HydrophobicContact CE2-CE1 4.34Å; Y189-F191 PolarHBondContact O-N 3.43Å; F191-R195 WeakPolarHBondContact O-CB 3.38Å; F191-R195 PolarHBondContact O-N 2.85Å
192	K	87.7	Confident	86.8	Confident	116 Å²	116	53.1 Å²	53.1	50%	0.504	24%	0.242	S	C	.	.	H	α-helix	trans	-63.7	-43.5	174.5	-76.4	179	178	-179.4	0	112	F188 Y189 L190 R195 K196	F188-K192 VanDerWaalsContact CE1-CE 3.45Å; F188-K192 VanDerWaalsContact CZ-CE 3.47Å; F188-K192 WeakPolarHBondContact O-CG 3.48Å; F188-K192 PolarHBondContact O-N 3Å; F188-K192 VanDerWaalsContact O-N 3.07Å; Y189-K192 WeakPolarHBondContact O-CB 3.41Å; Y189-K192 PolarHBondContact O-N 3.45Å; Y189-K192 VanDerWaalsContact O-N 3.13Å; L190-K192 PolarHBondContact O-N 3.1Å; K192-R195 PolarHBondContact O-N 3.14Å; K192-K196 WeakPolarHBondContact O-CB 3.17Å; K192-K196 PolarHBondContact O-N 3.08Å
193	L	89.4	Confident	86.3	Confident	10 Å²	10	60.3 Å²	60.3	5%	0.052	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-48.5	179.5	174.1	60.5	0	0	0	111.9	Y189 L190 R195 K196 S197 P204 V205 V206 L298	Y189-L193 HydrophobicContact CE1-CD2 4.34Å; Y189-L193 PolarHBondContact O-N 2.9Å; L190-L193 HydrophobicContact CD2-CD2 4.35Å; L190-L193 PolarHBondContact O-N 3.35Å; L193-R195 PolarHBondContact O-N 2.91Å; L193-K196 PolarHBondContact O-N 2.89Å; L193-S197 WeakPolarHBondContact O-CB 3.4Å; L193-S197 PolarHBondContact O-N 2.98Å; L193-S197 PolarHBondContact O-OG 3.27Å; L193-P204 HydrophobicContact CD2-CB 4.5Å; L193-P204 HydrophobicContact CG-CB 4.26Å; L193-V205 WeakPolarHBondContact CD1-O 3.44Å; L193-V205 WeakPolarHBondContact CD2-O 3.46Å; L193-V206 HydrophobicContact CD2-CG2 4.11Å; L193-L298 HydrophobicContact CD2-CD2 4.48Å
194	L	88.6	Confident	85.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-41.2	177.3	-67.6	-166.9	0	0	0	111.4	I164 D167 V168 L171 L190 S197 I198 P204 L298	I164-L194 HydrophobicContact CG2-CB 3.8Å; I164-L194 HydrophobicContact CG2-CD1 4.43Å; I164-L194 HydrophobicContact CG2-CD2 4.15Å; I164-L194 HydrophobicContact CG2-CG 4.34Å; D167-L194 HydrophobicContact CB-CD1 3.59Å; V168-L194 HydrophobicContact CG2-CB 3.42Å; V168-L194 VanDerWaalsContact CG2-CB 3.42Å; V168-L194 HydrophobicContact CG2-CD1 4.27Å; L171-L194 HydrophobicContact CD1-CD1 3.8Å; L190-L194 WeakPolarHBondContact O-CG 3.48Å; L190-L194 PolarHBondContact O-N 3.18Å; L194-S197 WeakPolarHBondContact O-CB 3.37Å; L194-S197 PolarHBondContact O-N 3.43Å; L194-S197 VanDerWaalsContact O-N 3.13Å; L194-I198 WeakPolarHBondContact O-CG1 3.5Å; L194-I198 PolarHBondContact O-N 2.96Å; L194-P204 HydrophobicContact CD2-CB 3.55Å; L194-P204 HydrophobicContact CD2-CG 3.72Å; L194-L298 HydrophobicContact CD2-CD2 3.68Å; L194-L298 HydrophobicContact CD2-CG 4.1Å
195	R	84.9	Confident	85.3	Confident	113 Å²	113	60.4 Å²	60.4	43%	0.426	28%	0.28	S	S	.	.	H	α-helix	trans	-63.6	-42	175.6	-172.4	179	177.6	-159.5	-3	112.9	F191 K192 L193 S197 I198 L199	F191-R195 WeakPolarHBondContact O-CB 3.38Å; F191-R195 PolarHBondContact O-N 2.85Å; K192-R195 PolarHBondContact O-N 3.14Å; L193-R195 PolarHBondContact O-N 2.91Å; R195-S197 VanDerWaalsContact C-N 3.28Å; R195-S197 PolarHBondContact O-N 2.82Å; R195-I198 PolarHBondContact O-N 3.28Å; R195-L199 PolarHBondContact O-N 2.96Å
196	K	85.7	Confident	84.7	Confident	72 Å²	72	55.3 Å²	55.3	31%	0.313	26%	0.257	S	S	.	.	H	α-helix	trans	-58.3	-42.9	170.6	175.6	-175.1	164.8	-173.6	0	110.4	K192 L193 I198 L199 Q200 E207	K192-K196 WeakPolarHBondContact O-CB 3.17Å; K192-K196 PolarHBondContact O-N 3.08Å; L193-K196 PolarHBondContact O-N 2.89Å; K196-I198 PolarHBondContact O-N 2.87Å; K196-L199 PolarHBondContact O-N 3.22Å; K196-Q200 HydrophobicContact CG-CG 4.43Å; K196-Q200 WeakPolarHBondContact O-CB 3.49Å; K196-Q200 WeakPolarHBondContact O-CG 3.29Å; K196-Q200 PolarHBondContact O-N 3.11Å; K196-E207 IonicContact NZ-OE1 2.71Å; K196-E207 PolarHBondContact NZ-OE1 3.21Å; K196-E207 IonicContact NZ-OE2 2.71Å; K196-E207 PolarHBondContact NZ-OE2 2.83Å
197	S	85.9	Confident	83.4	Confident	7 Å²	7	59.9 Å²	59.9	5%	0.049	28%	0.278	C	S	.	.	H	α-helix	trans	-66.7	-33.2	-178.3	-56	0	0	0	0	113.5	L193 L194 R195 R201 G202 P204	L193-S197 WeakPolarHBondContact O-CB 3.4Å; L193-S197 PolarHBondContact O-N 2.98Å; L193-S197 PolarHBondContact O-OG 3.27Å; L194-S197 WeakPolarHBondContact O-CB 3.37Å; L194-S197 PolarHBondContact O-N 3.43Å; L194-S197 VanDerWaalsContact O-N 3.13Å; R195-S197 VanDerWaalsContact C-N 3.28Å; R195-S197 PolarHBondContact O-N 2.82Å; S197-R201 CarbonylContact O-C 3.49Å; S197-R201 WeakPolarHBondContact O-CA 3.46Å; S197-R201 PolarHBondContact O-N 2.73Å; S197-G202 PolarHBondContact O-N 3.42Å; S197-P204 WeakPolarHBondContact OG-CA 3.35Å; S197-P204 WeakPolarHBondContact OG-CB 3.48Å
198	I	83.2	Confident	81.8	Confident	8 Å²	8	61.7 Å²	61.7	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-54.1	171.2	-60.9	160.6	0	0	0	109.9	Y97 I164 V165 V168 L194 R195 K196 Q200 R201	Y97-I198 HydrophobicContact CD1-CD1 4.15Å; Y97-I198 HydrophobicContact CG-CD1 4.2Å; I164-I198 HydrophobicContact CB-CD1 4.43Å; I164-I198 HydrophobicContact CB-CG1 4.03Å; I164-I198 HydrophobicContact CG2-CD1 3.89Å; I164-I198 HydrophobicContact CG2-CG1 3.57Å; V165-I198 HydrophobicContact CG2-CD1 3.74Å; V168-I198 HydrophobicContact CG2-CD1 4.04Å; L194-I198 WeakPolarHBondContact O-CG1 3.5Å; L194-I198 PolarHBondContact O-N 2.96Å; R195-I198 PolarHBondContact O-N 3.28Å; K196-I198 PolarHBondContact O-N 2.87Å; I198-Q200 VanDerWaalsContact C-N 3.28Å; I198-Q200 PolarHBondContact O-N 2.96Å; I198-R201 PolarHBondContact O-N 3.35Å
199	L	79.3	Confident	79.9	Confident	65 Å²	65	62.6 Å²	62.6	34%	0.34	32%	0.32	S	S	.	.	H	α-helix	trans	-59.6	-36	-177.4	-73.2	164.8	0	0	0	113.1	Y97 A99 R195 K196	Y97-L199 VanDerWaalsContact O-CD2 3.24Å; Y97-L199 WeakPolarHBondContact O-CD2 3.44Å; A99-L199 HydrophobicContact CB-CD2 4.45Å; R195-L199 PolarHBondContact O-N 2.96Å; K196-L199 PolarHBondContact O-N 3.22Å
200	Q	80.1	Confident	78.3	Confident	134 Å²	134	60.8 Å²	60.8	63%	0.626	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	0.7	178.8	-63.6	-175.5	-31.5	0	0	113.6	K196 I198 G202	K196-Q200 HydrophobicContact CG-CG 4.43Å; K196-Q200 WeakPolarHBondContact O-CB 3.49Å; K196-Q200 WeakPolarHBondContact O-CG 3.29Å; K196-Q200 PolarHBondContact O-N 3.11Å; I198-Q200 VanDerWaalsContact C-N 3.28Å; I198-Q200 PolarHBondContact O-N 2.96Å; Q200-G202 PolarHBondContact O-N 2.87Å
201	R	75.5	Confident	76.3	Confident	103 Å²	103	69 Å²	69	39%	0.389	35%	0.354	S	S	.	.			trans	54.3	9.4	-171.8	-64	172.6	56.8	179.8	-4.6	115.8	H149 R160 S197 I198	H149-R201 PolarHBondContact O-NH1 3.35Å; R160-R201 PolarHBondContact NH2-O 2.85Å; S197-R201 CarbonylContact O-C 3.49Å; S197-R201 WeakPolarHBondContact O-CA 3.46Å; S197-R201 PolarHBondContact O-N 2.73Å; I198-R201 PolarHBondContact O-N 3.35Å
202	G	75.7	Confident	75	Confident	30 Å²	30	74.3 Å²	74.3	31%	0.309	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-65.3	168.6	-177.5	0	0	0	0	0	114.1	R160 S197 Q200	R160-G202 PolarHBondContact NH1-O 3.32Å; S197-G202 PolarHBondContact O-N 3.42Å; Q200-G202 PolarHBondContact O-N 2.87Å
203	K	78.1	Confident	74.3	Confident	171 Å²	171	76.2 Å²	76.2	74%	0.743	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-81.4	133.9	158.3	-71.4	180	177.8	177.7	0	107.7	V205	K203-V205 PolarHBondContact O-N 3.26Å
204	P	81.8	Confident	74	Confident	7 Å²	7	76.7 Å²	76.7	5%	0.045	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-70	118.1	-178.7	29	-34.9	0	0	0	110.7	L193 L194 S197 S297 L298 P299	L193-P204 HydrophobicContact CD2-CB 4.5Å; L193-P204 HydrophobicContact CG-CB 4.26Å; L194-P204 HydrophobicContact CD2-CB 3.55Å; L194-P204 HydrophobicContact CD2-CG 3.72Å; S197-P204 WeakPolarHBondContact OG-CA 3.35Å; S197-P204 WeakPolarHBondContact OG-CB 3.48Å; P204-S297 WeakPolarHBondContact CG-O 3.44Å; P204-L298 HydrophobicContact CB-CD2 4.04Å; P204-L298 HydrophobicContact CG-CD2 4.19Å; P204-P299 WeakPolarHBondContact O-CD 3.38Å
205	V	79.7	Confident	73.9	Confident	78 Å²	78	79.9 Å²	79.9	47%	0.473	41%	0.409	S	S	.	.			trans	-119.8	135.3	174.7	-179.7	0	0	0	0	108.2	L193 K203 E207	L193-V205 WeakPolarHBondContact CD1-O 3.44Å; L193-V205 WeakPolarHBondContact CD2-O 3.46Å; K203-V205 PolarHBondContact O-N 3.26Å; V205-E207 PolarHBondContact O-N 3.29Å
206	V	78.5	Confident	74.1	Confident	19 Å²	19	75.6 Å²	75.6	12%	0.115	39%	0.394	C	S	.	.			trans	-71.6	101.7	179.9	174.9	0	0	0	0	109.3	Y189 L190 L193 C287 Y288	Y189-V206 HydrophobicContact CE1-CG1 4.1Å; Y189-V206 WeakPolarHBondContact OH-CA 3.46Å; Y189-V206 WeakPolarHBondContact OH-CG1 3.27Å; L190-V206 HydrophobicContact CD2-CG2 4.38Å; L193-V206 HydrophobicContact CD2-CG2 4.11Å; V206-C287 HydrophobicContact CG2-CB 4.3Å; V206-Y288 HydrophobicContact CB-CE1 4.33Å; V206-Y288 HydrophobicContact CG1-CE2 4.33Å; V206-Y288 HydrophobicContact CG2-CE1 4.35Å
207	E	64.5	Low	74.3	Confident	107 Å²	107	74.4 Å²	74.4	50%	0.5	39%	0.389	S	S	.	.			trans	-92.8	132.3	176.8	-63.9	165	154	0	0	111.1	Y189 K196 V205	Y189-E207 PolarHBondContact OH-N 2.96Å; Y189-E207 PolarHBondContact OH-O 2.95Å; K196-E207 IonicContact NZ-OE1 2.71Å; K196-E207 PolarHBondContact NZ-OE1 3.21Å; K196-E207 IonicContact NZ-OE2 2.71Å; K196-E207 PolarHBondContact NZ-OE2 2.83Å; V205-E207 PolarHBondContact O-N 3.29Å
208	G	58.4	Low	74.5	Confident	56 Å²	56	80.8 Å²	80.8	58%	0.577	42%	0.417	S	S	*	.	S	Bend	trans	144.5	-173.9	172	0	0	0	0	0	113.7	L210	G208-L210 PolarHBondContact O-N 3.44Å
209	S	49.5	Very low	74.9	Confident	114 Å²	114	81.2 Å²	81.2	80%	0.797	42%	0.42	S	S	*	.	S	Bend	trans	-63.7	11.9	-174.4	-44.6	0	0	0	0	116.4	E211	S209-E211 PolarHBondContact O-N 3.42Å
210	L	56.6	Low	75.7	Confident	38 Å²	38	79.2 Å²	79.2	20%	0.199	41%	0.411	C	S	.	.			trans	-89.2	49.3	168.8	-63.4	167.4	0	0	0	109.2	G208 K212 E280 T283 R284	G208-L210 PolarHBondContact O-N 3.44Å; L210-K212 CarbonylContact O-C 3.6Å; L210-K212 PolarHBondContact O-N 3.04Å; L210-E280 HydrophobicContact CD2-CG 4.06Å; L210-T283 HydrophobicContact CD1-CG2 3.83Å; L210-T283 HydrophobicContact CD2-CG2 4.39Å; L210-R284 HydrophobicContact CD2-CG 4.35Å
211	E	49.8	Very low	76.4	Confident	172 Å²	172	73 Å²	73	80%	0.804	38%	0.382	S	S	*	.			trans	-60.2	-27.6	-156.6	-60.1	-177.6	147.2	0	0	114.6	S209 K213	S209-E211 PolarHBondContact O-N 3.42Å; E211-K213 PolarHBondContact O-N 2.97Å
212	K	62.1	Low	77.3	Confident	140 Å²	140	71 Å²	71	61%	0.609	38%	0.377	S	S	*	.			trans	-70.9	99.6	170.1	-65.3	-174.9	-178.5	179.9	0	110	L210 F216	L210-K212 CarbonylContact O-C 3.6Å; L210-K212 PolarHBondContact O-N 3.04Å; K212-F216 VanDerWaalsContact O-CD1 3.25Å; K212-F216 WeakPolarHBondContact O-CD1 3.47Å; K212-F216 WeakPolarHBondContact O-CE1 3.11Å
213	K	72.8	Confident	78.1	Confident	157 Å²	157	73.5 Å²	73.5	68%	0.683	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-55.8	149.3	160.4	-69.9	177.4	-179.2	172.3	0	110	E211	E211-K213 PolarHBondContact O-N 2.97Å
214	P	83.1	Confident	78.8	Confident	20 Å²	20	65.4 Å²	65.4	13%	0.13	35%	0.346	C	S	.	.	S	Bend	trans	-59.3	145.9	175.3	22.5	-32.5	0	0	0	112.1	F216 Y288 Y301 V306	P214-F216 HydrophobicContact CB-CE1 4.02Å; P214-F216 HydrophobicContact CB-CE2 4.19Å; P214-F216 HydrophobicContact CB-CZ 3.79Å; P214-F216 HydrophobicContact CG-CE1 4.44Å; P214-F216 HydrophobicContact CG-CZ 4.25Å; P214-Y288 HydrophobicContact CG-CD1 4.02Å; P214-Y288 HydrophobicContact CG-CE1 4.15Å; P214-Y288 HydrophobicContact CG-CG 4.48Å; P214-Y301 HydrophobicContact CB-CD1 4.25Å; P214-Y301 HydrophobicContact CB-CE1 4.33Å; P214-Y301 HydrophobicContact CB-CG 4.41Å; P214-Y301 HydrophobicContact CG-CD1 4.07Å; P214-Y301 HydrophobicContact CG-CD2 3.91Å; P214-Y301 HydrophobicContact CG-CE1 3.8Å; P214-Y301 HydrophobicContact CG-CE2 3.63Å; P214-Y301 HydrophobicContact CG-CG 4.13Å; P214-V306 HydrophobicContact CB-CB 3.78Å; P214-V306 HydrophobicContact CB-CG1 3.49Å; P214-V306 VanDerWaalsContact CB-CG1 3.49Å
215	P	87.2	Confident	79.4	Confident	66 Å²	66	65 Å²	65	43%	0.429	34%	0.343	S	S	.	.	P	Polyproline II helix	cis	-76.5	141.8	0.5	32.3	-35.6	0	0	0	113
216	F	89.1	Confident	80	Confident	24 Å²	24	64 Å²	64	11%	0.105	34%	0.335	C	S	.	.			trans	-83	-24	-176	-46.8	-62.6	0	0	0	113.1	K212 P214 R284 Y288 V306 F307	K212-F216 VanDerWaalsContact O-CD1 3.25Å; K212-F216 WeakPolarHBondContact O-CD1 3.47Å; K212-F216 WeakPolarHBondContact O-CE1 3.11Å; P214-F216 HydrophobicContact CB-CE1 4.02Å; P214-F216 HydrophobicContact CB-CE2 4.19Å; P214-F216 HydrophobicContact CB-CZ 3.79Å; P214-F216 HydrophobicContact CG-CE1 4.44Å; P214-F216 HydrophobicContact CG-CZ 4.25Å; F216-R284 HydrophobicContact CD1-CG 4.36Å; F216-R284 HydrophobicContact CD2-CB 4.44Å; F216-R284 HydrophobicContact CE1-CB 4.41Å; F216-R284 HydrophobicContact CE1-CG 4.04Å; F216-R284 HydrophobicContact CE2-CB 3.92Å; F216-R284 HydrophobicContact CE2-CG 4.36Å; F216-R284 HydrophobicContact CZ-CB 3.91Å; F216-R284 HydrophobicContact CZ-CG 4.06Å; F216-Y288 HydrophobicContact CE1-CD2 4.26Å; F216-Y288 HydrophobicContact CE1-CE2 4.19Å; F216-Y288 AromaticContact CZ-CD2 3.58Å; F216-Y288 HydrophobicContact CZ-CD2 3.58Å; F216-Y288 AromaticContact CZ-CE2 3.98Å; F216-Y288 HydrophobicContact CZ-CE2 3.98Å; F216-Y288 HydrophobicContact CZ-CG 4.08Å; F216-V306 HydrophobicContact CD2-CB 4.03Å; F216-V306 HydrophobicContact CD2-CG2 3.99Å; F216-V306 VanDerWaalsContact CD2-O 3.23Å; F216-V306 WeakPolarHBondContact CD2-O 3.32Å; F216-V306 HydrophobicContact CE2-CB 3.92Å; F216-V306 HydrophobicContact CE2-CG2 3.61Å; F216-V306 PolarHBondContact N-O 3Å; F216-F307 AromaticContact CD2-CD1 3.74Å; F216-F307 HydrophobicContact CD2-CD1 3.74Å; F216-F307 HydrophobicContact CD2-CD2 4.39Å; F216-F307 AromaticContact CD2-CE1 3.49Å; F216-F307 HydrophobicContact CD2-CE1 3.49Å; F216-F307 VanDerWaalsContact CD2-CE1 3.49Å; F216-F307 HydrophobicContact CD2-CE2 4.18Å; F216-F307 HydrophobicContact CD2-CG 4.2Å; F216-F307 AromaticContact CD2-CZ 3.74Å; F216-F307 HydrophobicContact CD2-CZ 3.74Å; F216-F307 HydrophobicContact CE2-CD1 4.47Å; F216-F307 AromaticContact CE2-CE1 3.92Å; F216-F307 HydrophobicContact CE2-CE1 3.92Å; F216-F307 AromaticContact CE2-CE2 4Å; F216-F307 HydrophobicContact CE2-CE2 4Å; F216-F307 AromaticContact CE2-CZ 3.66Å; F216-F307 HydrophobicContact CE2-CZ 3.66Å; F216-F307 HydrophobicContact CG-CE1 4.39Å
217	E	90.3	Very high	80.8	Confident	46 Å²	46	63.3 Å²	63.3	22%	0.215	33%	0.331	C	S	.	.	S	Bend	trans	-148.4	145.6	-173.6	-173.2	175.6	-164.7	0	0	109.7	G308 R309 T310	E217-G308 VanDerWaalsContact CD-C 3.49Å; E217-G308 WeakPolarHBondContact OE2-CA 3.26Å; E217-G308 PolarHBondContact OE2-N 2.99Å; E217-R309 VanDerWaalsContact CD-N 3.32Å; E217-R309 PolarHBondContact OE1-N 3.2Å; E217-R309 PolarHBondContact OE2-N 3.21Å; E217-T310 VanDerWaalsContact CD-N 3.33Å; E217-T310 VanDerWaalsContact OE1-CB 3.23Å; E217-T310 WeakPolarHBondContact OE1-CB 3.29Å; E217-T310 PolarHBondContact OE1-N 3.43Å; E217-T310 PolarHBondContact OE1-OG1 3.11Å; E217-T310 WeakPolarHBondContact OE2-CB 3.39Å; E217-T310 PolarHBondContact OE2-N 2.94Å
218	K	89.5	Confident	82.2	Confident	142 Å²	142	58.2 Å²	58.2	62%	0.617	31%	0.307	S	S	*	.	S	Bend	trans	-139.6	137	175.9	-74.2	-171.5	178.3	-176.1	0	110.7	Q367	K218-Q367 PolarHBondContact O-NE2 3.36Å; K218-Q367 VanDerWaalsContact O-NE2 3.08Å
219	P	92.3	Very high	83.8	Confident	17 Å²	17	56.1 Å²	56.1	11%	0.11	28%	0.283	C	S	.	.	S	Bend	cis	-67.8	154.7	-2.3	28	-33.2	0	0	0	112.9	Q223 G308 W365	P219-Q223 HydrophobicContact CB-CB 3.99Å; P219-Q223 HydrophobicContact CB-CG 3.97Å; P219-G308 WeakPolarHBondContact O-CA 3.43Å; P219-W365 WeakPolarHBondContact CD-O 3.33Å; P219-W365 HydrophobicContact CG-CE3 4.35Å; P219-W365 WeakPolarHBondContact CG-O 3.3Å
220	S	94.5	Very high	85.7	Confident	23 Å²	23	55.1 Å²	55.1	16%	0.161	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-73.5	167.4	179.2	66.4	0	0	0	0	111.7	E222 Q223 G224 T304 Q305 F307	S220-E222 VanDerWaalsContact C-N 3.26Å; S220-E222 PolarHBondContact O-N 3.27Å; S220-Q223 PolarHBondContact O-N 3.15Å; S220-Q223 PolarHBondContact OG-N 3.17Å; S220-G224 PolarHBondContact O-N 3.03Å; S220-T304 WeakPolarHBondContact CB-O 3.31Å; S220-Q305 WeakPolarHBondContact CB-O 3.21Å; S220-F307 CarbonylContact C-O 3.53Å; S220-F307 WeakPolarHBondContact CA-O 3.12Å
221	I	94.9	Very high	87.3	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-40.8	174.5	-68.7	166.9	0	0	0	110.7	G224 V225 L252 I255 T304 F307 G308 L312	I221-G224 PolarHBondContact O-N 2.86Å; I221-V225 HydrophobicContact CG2-CG2 4.38Å; I221-V225 WeakPolarHBondContact O-CB 3.36Å; I221-V225 VanDerWaalsContact O-CG2 3.25Å; I221-V225 WeakPolarHBondContact O-CG2 3.21Å; I221-V225 PolarHBondContact O-N 3.39Å; I221-L252 HydrophobicContact CG2-CD2 3.89Å; I221-I255 HydrophobicContact CG2-CD1 3.84Å; I221-T304 HydrophobicContact CG2-CG2 4.1Å; I221-T304 PolarHBondContact N-O 3.44Å; I221-F307 HydrophobicContact CD1-CB 4.07Å; I221-F307 WeakPolarHBondContact CG1-O 3.25Å; I221-F307 PolarHBondContact N-O 3.42Å; I221-G308 VanDerWaalsContact CG1-O 3.26Å; I221-G308 WeakPolarHBondContact CG1-O 3.44Å; I221-L312 HydrophobicContact CD1-CB 4.11Å; I221-L312 HydrophobicContact CD1-CD1 4.34Å; I221-L312 HydrophobicContact CG1-CB 4.08Å; I221-L312 HydrophobicContact CG1-CD2 4.3Å; I221-L312 HydrophobicContact CG2-CD1 4.43Å; I221-L312 HydrophobicContact CG2-CD2 4.22Å
222	E	94.4	Very high	89.2	Confident	62 Å²	62	52.5 Å²	52.5	29%	0.29	25%	0.248	S	C	.	.	H	α-helix	trans	-59.8	-47.6	174.5	177.3	161.5	-158.6	0	0	111.6	S220 V225 N226 L252 T304 Q305	S220-E222 VanDerWaalsContact C-N 3.26Å; S220-E222 PolarHBondContact O-N 3.27Å; E222-V225 PolarHBondContact O-N 3.16Å; E222-N226 WeakPolarHBondContact O-CB 3.39Å; E222-N226 VanDerWaalsContact O-CG 3.23Å; E222-N226 PolarHBondContact O-N 2.92Å; E222-N226 PolarHBondContact O-ND2 3.45Å; E222-N226 VanDerWaalsContact O-ND2 3.14Å; E222-L252 HydrophobicContact CB-CD1 4.41Å; E222-L252 HydrophobicContact CB-CD2 4.36Å; E222-L252 HydrophobicContact CG-CD1 4.13Å; E222-T304 WeakPolarHBondContact CB-O 3.48Å; E222-T304 PolarHBondContact N-O 2.95Å; E222-Q305 WeakPolarHBondContact OE2-CG 3.1Å; E222-Q305 PolarHBondContact OE2-NE2 3Å
223	Q	92.5	Very high	90.5	Very high	83 Å²	83	46.8 Å²	46.8	39%	0.388	22%	0.223	S	C	.	.	H	α-helix	trans	-66.7	-43	178.7	-171.3	62.4	44.9	0	0	112.1	P219 S220 V225 N226 N227	P219-Q223 HydrophobicContact CB-CB 3.99Å; P219-Q223 HydrophobicContact CB-CG 3.97Å; S220-Q223 PolarHBondContact O-N 3.15Å; S220-Q223 PolarHBondContact OG-N 3.17Å; Q223-V225 PolarHBondContact O-N 2.84Å; Q223-N226 PolarHBondContact O-N 3.11Å; Q223-N227 PolarHBondContact NE2-OD1 2.97Å; Q223-N227 WeakPolarHBondContact O-CB 3.24Å; Q223-N227 PolarHBondContact O-N 2.8Å; Q223-N227 PolarHBondContact O-OD1 3.07Å
224	G	93.7	Very high	91.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-38.5	177.2	0	0	0	0	0	113	S220 I221 F228	S220-G224 PolarHBondContact O-N 3.03Å; I221-G224 PolarHBondContact O-N 2.86Å; G224-F228 WeakPolarHBondContact O-CB 3Å; G224-F228 PolarHBondContact O-N 3.44Å
225	V	94.1	Very high	91.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-69.3	-38.1	173.8	169.8	0	0	0	0	111.6	I221 E222 Q223 F228 V229 A248 F251 L252 L353	I221-V225 HydrophobicContact CG2-CG2 4.38Å; I221-V225 WeakPolarHBondContact O-CB 3.36Å; I221-V225 VanDerWaalsContact O-CG2 3.25Å; I221-V225 WeakPolarHBondContact O-CG2 3.21Å; I221-V225 PolarHBondContact O-N 3.39Å; E222-V225 PolarHBondContact O-N 3.16Å; Q223-V225 PolarHBondContact O-N 2.84Å; V225-F228 WeakPolarHBondContact O-CB 3.46Å; V225-F228 PolarHBondContact O-N 3.24Å; V225-V229 WeakPolarHBondContact O-CG2 3.5Å; V225-V229 PolarHBondContact O-N 2.83Å; V225-A248 HydrophobicContact CG1-CB 3.85Å; V225-F251 HydrophobicContact CG2-CD1 4.11Å; V225-F251 HydrophobicContact CG2-CE1 3.85Å; V225-L252 HydrophobicContact CB-CD1 4.37Å; V225-L252 HydrophobicContact CB-CD2 4.02Å; V225-L252 HydrophobicContact CB-CG 4.39Å; V225-L252 HydrophobicContact CG1-CD1 4.07Å; V225-L252 HydrophobicContact CG1-CD2 4.26Å; V225-L252 HydrophobicContact CG1-CG 4.11Å; V225-L252 HydrophobicContact CG2-CD2 3.97Å; V225-L353 HydrophobicContact CG2-CD2 4.2Å
226	N	93.2	Very high	91.4	Very high	57 Å²	57	47 Å²	47	31%	0.305	23%	0.227	S	C	.	.	H	α-helix	trans	-65.8	-43.6	174.1	-72.4	-30.9	0	0	0	111.6	E222 Q223 F228 V229 Q230	E222-N226 WeakPolarHBondContact O-CB 3.39Å; E222-N226 VanDerWaalsContact O-CG 3.23Å; E222-N226 PolarHBondContact O-N 2.92Å; E222-N226 PolarHBondContact O-ND2 3.45Å; E222-N226 VanDerWaalsContact O-ND2 3.14Å; Q223-N226 PolarHBondContact O-N 3.11Å; N226-F228 VanDerWaalsContact C-N 3.34Å; N226-F228 PolarHBondContact O-N 2.73Å; N226-V229 PolarHBondContact O-N 3.06Å; N226-Q230 WeakPolarHBondContact O-CG 3.47Å; N226-Q230 PolarHBondContact O-N 2.89Å; N226-Q230 VanDerWaalsContact O-N 3.1Å
227	N	93.7	Very high	91.3	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-59.3	-43.4	172.9	-69.9	-4.1	0	0	0	110.9	Q223 V229 Q230 Y231 I364 F369	Q223-N227 PolarHBondContact NE2-OD1 2.97Å; Q223-N227 WeakPolarHBondContact O-CB 3.24Å; Q223-N227 PolarHBondContact O-N 2.8Å; Q223-N227 PolarHBondContact O-OD1 3.07Å; N227-V229 PolarHBondContact O-N 3.37Å; N227-Q230 PolarHBondContact O-N 3.23Å; N227-Y231 VanDerWaalsContact O-CB 3.26Å; N227-Y231 WeakPolarHBondContact O-CB 3.5Å; N227-Y231 PolarHBondContact O-N 2.87Å; N227-I364 HydrophobicContact CB-CB 3.88Å; N227-I364 HydrophobicContact CB-CG2 4.46Å; N227-I364 WeakPolarHBondContact CB-O 3.44Å; N227-I364 PolarHBondContact ND2-O 2.71Å; N227-F369 HydrophobicContact CB-CD1 3.79Å; N227-F369 HydrophobicContact CB-CD2 4.35Å; N227-F369 HydrophobicContact CB-CE1 3.82Å; N227-F369 HydrophobicContact CB-CE2 4.38Å; N227-F369 HydrophobicContact CB-CG 4.07Å; N227-F369 HydrophobicContact CB-CZ 4.13Å; N227-F369 VanDerWaalsContact CG-CD1 3.41Å; N227-F369 WeakPolarHBondContact O-CZ 3.42Å; N227-F369 WeakPolarHBondContact OD1-CD1 3.16Å
228	F	94.1	Very high	91.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59	-44.1	174.1	169.6	-105.5	0	0	0	113.4	G224 V225 N226 Q230 Y231 K232 F233 F349 M352 L353 E356 I364	G224-F228 WeakPolarHBondContact O-CB 3Å; G224-F228 PolarHBondContact O-N 3.44Å; V225-F228 WeakPolarHBondContact O-CB 3.46Å; V225-F228 PolarHBondContact O-N 3.24Å; N226-F228 VanDerWaalsContact C-N 3.34Å; N226-F228 PolarHBondContact O-N 2.73Å; F228-Q230 VanDerWaalsContact C-N 3.31Å; F228-Q230 PolarHBondContact O-N 3.46Å; F228-Y231 PolarHBondContact O-N 2.83Å; F228-K232 HydrophobicContact CD2-CG 3.87Å; F228-K232 HydrophobicContact CE2-CB 4.39Å; F228-K232 HydrophobicContact CE2-CG 3.69Å; F228-K232 HydrophobicContact CZ-CG 4.49Å; F228-K232 PolarHBondContact O-N 3.13Å; F228-F233 HydrophobicContact CD1-CE2 4.44Å; F228-F233 AromaticContact CE1-CE2 3.78Å; F228-F233 HydrophobicContact CE1-CE2 3.78Å; F228-F233 AromaticContact CZ-CE2 3.84Å; F228-F233 HydrophobicContact CZ-CE2 3.84Å; F228-F233 HydrophobicContact CZ-CZ 4.37Å; F228-F349 HydrophobicContact CD1-CE2 4.2Å; F228-F349 HydrophobicContact CD1-CZ 4.37Å; F228-F349 AromaticContact CE1-CD2 3.98Å; F228-F349 HydrophobicContact CE1-CD2 3.98Å; F228-F349 AromaticContact CE1-CE2 3.67Å; F228-F349 HydrophobicContact CE1-CE2 3.67Å; F228-F349 HydrophobicContact CE1-CZ 4.02Å; F228-M352 HydrophobicContact CE2-CB 4.11Å; F228-M352 WeakPolarHBondContact CE2-O 3.46Å; F228-M352 HydrophobicContact CZ-CB 3.79Å; F228-L353 HydrophobicContact CB-CD1 4.23Å; F228-L353 HydrophobicContact CD1-CB 4.46Å; F228-L353 HydrophobicContact CD1-CD1 3.88Å; F228-L353 HydrophobicContact CD2-CD1 4.06Å; F228-L353 HydrophobicContact CE1-CB 3.89Å; F228-L353 HydrophobicContact CE1-CD1 4.18Å; F228-L353 HydrophobicContact CE1-CG 4.47Å; F228-L353 HydrophobicContact CE2-CB 4.21Å; F228-L353 HydrophobicContact CE2-CD1 4.36Å; F228-L353 HydrophobicContact CG-CD1 3.8Å; F228-L353 HydrophobicContact CZ-CB 3.76Å; F228-L353 HydrophobicContact CZ-CD1 4.41Å; F228-E356 HydrophobicContact CD2-CB 4.3Å; F228-E356 HydrophobicContact CD2-CG 3.96Å; F228-E356 HydrophobicContact CE2-CG 4.07Å; F228-I364 HydrophobicContact CB-CD1 3.82Å; F228-I364 HydrophobicContact CB-CG2 4.25Å; F228-I364 HydrophobicContact CD2-CD1 4.45Å
229	V	92.8	Very high	90.8	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-62.5	-40.9	177.4	172.9	0	0	0	0	111.1	V225 N226 N227 F233 I244 V245 A248 F349	V225-V229 WeakPolarHBondContact O-CG2 3.5Å; V225-V229 PolarHBondContact O-N 2.83Å; N226-V229 PolarHBondContact O-N 3.06Å; N227-V229 PolarHBondContact O-N 3.37Å; V229-F233 WeakPolarHBondContact O-CA 3.25Å; V229-F233 WeakPolarHBondContact O-CB 3.37Å; V229-F233 PolarHBondContact O-N 3.49Å; V229-F233 VanDerWaalsContact O-N 3.1Å; V229-I244 HydrophobicContact CG1-CG2 4.17Å; V229-I244 HydrophobicContact CG2-CG2 4.16Å; V229-V245 HydrophobicContact CG1-CG2 3.82Å; V229-A248 HydrophobicContact CG2-CB 3.68Å; V229-F349 HydrophobicContact CG2-CE2 4.34Å
230	Q	89.4	Confident	90.3	Very high	94 Å²	94	56.6 Å²	56.6	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-67.6	-46.3	174.9	-65.9	177.5	12.5	0	0	111.9	N226 N227 F228 S234 F369	N226-Q230 WeakPolarHBondContact O-CG 3.47Å; N226-Q230 PolarHBondContact O-N 2.89Å; N226-Q230 VanDerWaalsContact O-N 3.1Å; N227-Q230 PolarHBondContact O-N 3.23Å; F228-Q230 VanDerWaalsContact C-N 3.31Å; F228-Q230 PolarHBondContact O-N 3.46Å; Q230-S234 WeakPolarHBondContact O-CB 3.49Å; Q230-S234 PolarHBondContact O-N 3.44Å; Q230-S234 PolarHBondContact O-OG 3.11Å; Q230-F369 HydrophobicContact CB-CE1 4.17Å; Q230-F369 HydrophobicContact CB-CZ 4.41Å
231	Y	90.3	Very high	89.8	Confident	103 Å²	103	60.7 Å²	60.7	40%	0.404	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-47.2	-176.5	-177.2	-132.5	0	0	0	112.8	N227 F228 P363 I364 F369	N227-Y231 VanDerWaalsContact O-CB 3.26Å; N227-Y231 WeakPolarHBondContact O-CB 3.5Å; N227-Y231 PolarHBondContact O-N 2.87Å; F228-Y231 PolarHBondContact O-N 2.83Å; Y231-P363 HydrophobicContact CD1-CG 4.42Å; Y231-P363 HydrophobicContact CD2-CG 4.48Å; Y231-P363 HydrophobicContact CE1-CG 3.97Å; Y231-P363 HydrophobicContact CE2-CG 4.06Å; Y231-I364 HydrophobicContact CD1-CG2 3.79Å; Y231-I364 HydrophobicContact CG-CG2 4.21Å; Y231-F369 HydrophobicContact CD2-CE2 4.48Å; Y231-F369 HydrophobicContact CG-CE2 4.45Å
232	K	88.5	Confident	89.5	Confident	52 Å²	52	65.1 Å²	65.1	23%	0.226	32%	0.321	C	S	.	.	H	α-helix	trans	-94.3	-20.5	-174	-63.3	-60.3	-171	-176.9	0	114.9	F228 H235 M352 E356	F228-K232 HydrophobicContact CD2-CG 3.87Å; F228-K232 HydrophobicContact CE2-CB 4.39Å; F228-K232 HydrophobicContact CE2-CG 3.69Å; F228-K232 HydrophobicContact CZ-CG 4.49Å; F228-K232 PolarHBondContact O-N 3.13Å; K232-H235 PolarHBondContact O-CE1 3.45Å; K232-M352 HydrophobicContact CB-CE 4.1Å; K232-M352 HydrophobicContact CG-CE 4.33Å; K232-E356 WeakPolarHBondContact CE-OE1 3.33Å; K232-E356 IonicContact NZ-OE1 2.65Å; K232-E356 PolarHBondContact NZ-OE1 3.21Å
233	F	90.6	Very high	89	Confident	19 Å²	19	64.1 Å²	64.1	8%	0.083	32%	0.319	C	S	.	.	H	α-helix	trans	-133.7	10.3	-169.1	-50	-81.2	0	0	0	115	F228 V229 H235 L236 R241 I244 F349 M352	F228-F233 HydrophobicContact CD1-CE2 4.44Å; F228-F233 AromaticContact CE1-CE2 3.78Å; F228-F233 HydrophobicContact CE1-CE2 3.78Å; F228-F233 AromaticContact CZ-CE2 3.84Å; F228-F233 HydrophobicContact CZ-CE2 3.84Å; F228-F233 HydrophobicContact CZ-CZ 4.37Å; V229-F233 WeakPolarHBondContact O-CA 3.25Å; V229-F233 WeakPolarHBondContact O-CB 3.37Å; V229-F233 PolarHBondContact O-N 3.49Å; V229-F233 VanDerWaalsContact O-N 3.1Å; F233-H235 VanDerWaalsContact C-N 3.25Å; F233-H235 PolarHBondContact O-N 3.35Å; F233-L236 HydrophobicContact CB-CD1 4.14Å; F233-L236 HydrophobicContact CB-CG 4.37Å; F233-L236 HydrophobicContact CD1-CD1 3.74Å; F233-L236 HydrophobicContact CD1-CG 4.45Å; F233-L236 HydrophobicContact CG-CD1 4.4Å; F233-L236 PolarHBondContact O-N 2.98Å; F233-R241 WeakPolarHBondContact O-CD 3.41Å; F233-I244 HydrophobicContact CB-CG2 4.34Å; F233-I244 HydrophobicContact CD1-CG1 4.19Å; F233-I244 HydrophobicContact CD2-CG2 3.7Å; F233-I244 HydrophobicContact CE1-CD1 4.42Å; F233-I244 HydrophobicContact CE2-CG2 4.04Å; F233-I244 HydrophobicContact CG-CG1 4.29Å; F233-I244 HydrophobicContact CG-CG2 3.93Å; F233-F349 HydrophobicContact CE2-CD2 4.49Å; F233-M352 HydrophobicContact CE1-CE 3.82Å; F233-M352 HydrophobicContact CE1-SD 4.15Å; F233-M352 HydrophobicContact CE2-CE 4.4Å; F233-M352 HydrophobicContact CZ-CE 3.55Å; F233-M352 HydrophobicContact CZ-SD 3.82Å
234	S	86.4	Confident	88.8	Confident	64 Å²	64	60.7 Å²	60.7	45%	0.448	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-41.8	171.9	40.7	0	0	0	0	113.2	Q230 L236 R241	Q230-S234 WeakPolarHBondContact O-CB 3.49Å; Q230-S234 PolarHBondContact O-N 3.44Å; Q230-S234 PolarHBondContact O-OG 3.11Å; S234-L236 VanDerWaalsContact C-N 3.27Å; S234-L236 PolarHBondContact O-N 3.4Å; S234-R241 PolarHBondContact O-NH1 3.13Å
235	H	86.7	Confident	88.6	Confident	146 Å²	146	62.6 Å²	62.6	68%	0.676	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.9	-178.4	68.8	-98.1	0	0	0	114.9	K232 F233	K232-H235 PolarHBondContact O-CE1 3.45Å; F233-H235 VanDerWaalsContact C-N 3.25Å; F233-H235 PolarHBondContact O-N 3.35Å
236	L	87.4	Confident	88.3	Confident	39 Å²	39	66.9 Å²	66.9	20%	0.204	34%	0.336	C	S	.	.	S	Bend	trans	-76.4	150.4	-178.8	-70.1	-170.8	0	0	0	112.5	F233 S234 E240 R241 I244	F233-L236 HydrophobicContact CB-CD1 4.14Å; F233-L236 HydrophobicContact CB-CG 4.37Å; F233-L236 HydrophobicContact CD1-CD1 3.74Å; F233-L236 HydrophobicContact CD1-CG 4.45Å; F233-L236 HydrophobicContact CG-CD1 4.4Å; F233-L236 PolarHBondContact O-N 2.98Å; S234-L236 VanDerWaalsContact C-N 3.27Å; S234-L236 PolarHBondContact O-N 3.4Å; L236-E240 HydrophobicContact CB-CB 4.29Å; L236-E240 HydrophobicContact CD1-CB 4.26Å; L236-R241 HydrophobicContact CB-CB 4.4Å; L236-I244 HydrophobicContact CD1-CG1 4.33Å
237	P	89.1	Confident	88.1	Confident	79 Å²	79	64.3 Å²	64.3	51%	0.513	32%	0.322	S	S	.	.			trans	-52.9	144.8	172.4	-25.4	34.4	0	0	0	112.1	K239 E240 R241	P237-K239 PolarHBondContact O-N 2.72Å; P237-E240 PolarHBondContact O-N 2.9Å; P237-R241 PolarHBondContact O-N 2.89Å
238	A	85.4	Confident	88	Confident	70 Å²	70	64.2 Å²	64.2	58%	0.579	32%	0.322	S	S	*	.	H	α-helix	trans	-52.2	-37.3	-170.3	0	0	0	0	0	114.5	Q242	A238-Q242 VanDerWaalsContact O-CB 3.26Å; A238-Q242 WeakPolarHBondContact O-CB 3.45Å; A238-Q242 PolarHBondContact O-N 3.07Å
239	K	82.5	Confident	87.8	Confident	177 Å²	177	70.6 Å²	70.6	77%	0.77	35%	0.349	S	S	*	.	H	α-helix	trans	-66.7	-39.8	176.9	-172.2	176.2	-178.8	178.2	0	112.8	P237 T243	P237-K239 PolarHBondContact O-N 2.72Å; K239-T243 WeakPolarHBondContact O-CB 3.5Å; K239-T243 PolarHBondContact O-N 2.62Å; K239-T243 VanDerWaalsContact O-N 3.11Å; K239-T243 PolarHBondContact O-OG1 3.12Å
240	E	82.3	Confident	87.6	Confident	103 Å²	103	72.5 Å²	72.5	48%	0.481	36%	0.358	S	S	.	.	H	α-helix	trans	-74.9	-40.3	176.9	-66.3	-178.9	-163.6	0	0	111	L236 P237 Q242 T243 I244	L236-E240 HydrophobicContact CB-CB 4.29Å; L236-E240 HydrophobicContact CD1-CB 4.26Å; P237-E240 PolarHBondContact O-N 2.9Å; E240-Q242 PolarHBondContact O-N 3.23Å; E240-T243 CarbonylContact O-C 3.6Å; E240-T243 WeakPolarHBondContact O-CA 3.41Å; E240-T243 VanDerWaalsContact O-CB 3.26Å; E240-T243 WeakPolarHBondContact O-CB 3.32Å; E240-T243 PolarHBondContact O-N 2.9Å; E240-T243 VanDerWaalsContact O-N 3.08Å; E240-I244 WeakPolarHBondContact O-CG1 3.48Å; E240-I244 PolarHBondContact O-N 3.1Å
241	R	84.8	Confident	87.7	Confident	110 Å²	110	68 Å²	68	42%	0.415	34%	0.337	S	S	.	.	H	α-helix	trans	-60.9	-44.1	174.7	-167.3	171.9	68.4	-152.7	3.3	111.9	F233 S234 L236 P237 T243 I244 V245	F233-R241 WeakPolarHBondContact O-CD 3.41Å; S234-R241 PolarHBondContact O-NH1 3.13Å; L236-R241 HydrophobicContact CB-CB 4.4Å; P237-R241 PolarHBondContact O-N 2.89Å; R241-T243 VanDerWaalsContact C-N 3.31Å; R241-T243 PolarHBondContact O-N 3.5Å; R241-I244 PolarHBondContact O-N 2.97Å; R241-V245 WeakPolarHBondContact O-CG2 3.33Å; R241-V245 PolarHBondContact O-N 3.41Å
242	Q	86.9	Confident	87.8	Confident	94 Å²	94	63.6 Å²	63.6	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-58	-42.8	170.9	174.4	59.4	25.7	0	0	111.8	A238 E240 I244 V245 E246	A238-Q242 VanDerWaalsContact O-CB 3.26Å; A238-Q242 WeakPolarHBondContact O-CB 3.45Å; A238-Q242 PolarHBondContact O-N 3.07Å; E240-Q242 PolarHBondContact O-N 3.23Å; Q242-I244 VanDerWaalsContact C-N 3.33Å; Q242-I244 PolarHBondContact O-N 3.11Å; Q242-V245 WeakPolarHBondContact O-CB 3.36Å; Q242-V245 PolarHBondContact O-N 2.98Å; Q242-E246 PolarHBondContact NE2-OE1 3.34Å; Q242-E246 PolarHBondContact O-N 3.07Å
243	T	85.4	Confident	87.9	Confident	41 Å²	41	65.2 Å²	65.2	25%	0.252	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-38.3	177	-60.6	0	0	0	0	112.3	K239 E240 R241 E246 L247 L341	K239-T243 WeakPolarHBondContact O-CB 3.5Å; K239-T243 PolarHBondContact O-N 2.62Å; K239-T243 VanDerWaalsContact O-N 3.11Å; K239-T243 PolarHBondContact O-OG1 3.12Å; E240-T243 CarbonylContact O-C 3.6Å; E240-T243 WeakPolarHBondContact O-CA 3.41Å; E240-T243 VanDerWaalsContact O-CB 3.26Å; E240-T243 WeakPolarHBondContact O-CB 3.32Å; E240-T243 PolarHBondContact O-N 2.9Å; E240-T243 VanDerWaalsContact O-N 3.08Å; R241-T243 VanDerWaalsContact C-N 3.31Å; R241-T243 PolarHBondContact O-N 3.5Å; T243-E246 PolarHBondContact O-N 2.99Å; T243-L247 PolarHBondContact O-N 3.01Å; T243-L341 HydrophobicContact CG2-CD1 3.23Å; T243-L341 HydrophobicContact CG2-CD2 3.7Å; T243-L341 HydrophobicContact CG2-CG 4.1Å
244	I	87.4	Confident	87.9	Confident	12 Å²	12	68.7 Å²	68.7	6%	0.062	34%	0.344	C	S	.	.	H	α-helix	trans	-69.8	-39.4	172.9	-62.8	-60.3	0	0	0	111.9	V229 F233 L236 E240 R241 Q242 E246 L247 A248 F349	V229-I244 HydrophobicContact CG1-CG2 4.17Å; V229-I244 HydrophobicContact CG2-CG2 4.16Å; F233-I244 HydrophobicContact CB-CG2 4.34Å; F233-I244 HydrophobicContact CD1-CG1 4.19Å; F233-I244 HydrophobicContact CD2-CG2 3.7Å; F233-I244 HydrophobicContact CE1-CD1 4.42Å; F233-I244 HydrophobicContact CE2-CG2 4.04Å; F233-I244 HydrophobicContact CG-CG1 4.29Å; F233-I244 HydrophobicContact CG-CG2 3.93Å; L236-I244 HydrophobicContact CD1-CG1 4.33Å; E240-I244 WeakPolarHBondContact O-CG1 3.48Å; E240-I244 PolarHBondContact O-N 3.1Å; R241-I244 PolarHBondContact O-N 2.97Å; Q242-I244 VanDerWaalsContact C-N 3.33Å; Q242-I244 PolarHBondContact O-N 3.11Å; I244-E246 VanDerWaalsContact C-N 3.27Å; I244-E246 PolarHBondContact O-N 3.22Å; I244-L247 HydrophobicContact CD1-CD1 4.4Å; I244-L247 PolarHBondContact O-N 2.94Å; I244-A248 PolarHBondContact O-N 2.82Å; I244-F349 HydrophobicContact CG2-CD2 4.07Å; I244-F349 HydrophobicContact CG2-CE2 4.01Å
245	V	89.6	Confident	88	Confident	40 Å²	40	66 Å²	66	24%	0.242	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-37.6	173.8	169.1	0	0	0	0	111.4	V229 R241 Q242 A248 K249	V229-V245 HydrophobicContact CG1-CG2 3.82Å; R241-V245 WeakPolarHBondContact O-CG2 3.33Å; R241-V245 PolarHBondContact O-N 3.41Å; Q242-V245 WeakPolarHBondContact O-CB 3.36Å; Q242-V245 PolarHBondContact O-N 2.98Å; V245-A248 PolarHBondContact O-N 3.45Å; V245-K249 HydrophobicContact CG1-CD 4.25Å; V245-K249 WeakPolarHBondContact O-CG 3.28Å; V245-K249 PolarHBondContact O-N 2.85Å
246	E	88.6	Confident	88.2	Confident	90 Å²	90	59.3 Å²	59.3	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-68.2	-39.1	175	-74.8	176.5	-145.4	0	0	112.8	Q242 T243 I244 K249 M250	Q242-E246 PolarHBondContact NE2-OE1 3.34Å; Q242-E246 PolarHBondContact O-N 3.07Å; T243-E246 PolarHBondContact O-N 2.99Å; I244-E246 VanDerWaalsContact C-N 3.27Å; I244-E246 PolarHBondContact O-N 3.22Å; E246-K249 PolarHBondContact O-N 3.12Å; E246-M250 WeakPolarHBondContact O-CB 3.21Å; E246-M250 PolarHBondContact O-N 2.93Å
247	L	88.4	Confident	88.2	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-39.2	171.6	-72.8	179.5	0	0	0	112.3	T243 I244 M250 F251 L341 I342 H345 F346	T243-L247 PolarHBondContact O-N 3.01Å; I244-L247 HydrophobicContact CD1-CD1 4.4Å; I244-L247 PolarHBondContact O-N 2.94Å; L247-M250 HydrophobicContact CD2-CE 3.74Å; L247-M250 PolarHBondContact O-N 3.13Å; L247-F251 WeakPolarHBondContact O-CB 3.48Å; L247-F251 PolarHBondContact O-N 2.87Å; L247-L341 HydrophobicContact CD1-CD1 3.96Å; L247-L341 HydrophobicContact CD1-CG 4.4Å; L247-L341 HydrophobicContact CD2-CD2 4.33Å; L247-L341 HydrophobicContact CD2-CG 4.12Å; L247-L341 HydrophobicContact CG-CD1 4.33Å; L247-L341 HydrophobicContact CG-CD2 4.44Å; L247-L341 HydrophobicContact CG-CG 4.35Å; L247-I342 HydrophobicContact CD2-CG1 4.36Å; L247-H345 HydrophobicContact CD1-CB 3.89Å; L247-F346 HydrophobicContact CB-CD2 4.48Å; L247-F346 HydrophobicContact CD1-CB 4.45Å; L247-F346 HydrophobicContact CD2-CB 4.06Å; L247-F346 HydrophobicContact CD2-CD2 3.97Å; L247-F346 HydrophobicContact CD2-CG 4.28Å
248	A	91.4	Very high	88.1	Confident	2 Å²	2	61.4 Å²	61.4	2%	0.017	29%	0.29	C	S	.	.	H	α-helix	trans	-64.6	-45.5	175.4	0	0	0	0	0	112	V225 V229 I244 V245 M250 F251 L252 F349	V225-A248 HydrophobicContact CG1-CB 3.85Å; V229-A248 HydrophobicContact CG2-CB 3.68Å; I244-A248 PolarHBondContact O-N 2.82Å; V245-A248 PolarHBondContact O-N 3.45Å; A248-M250 VanDerWaalsContact C-N 3.34Å; A248-M250 PolarHBondContact O-N 2.86Å; A248-F251 WeakPolarHBondContact O-CB 3.46Å; A248-F251 PolarHBondContact O-N 2.81Å; A248-L252 WeakPolarHBondContact O-CG 3.07Å; A248-L252 PolarHBondContact O-N 2.84Å; A248-F349 HydrophobicContact CB-CE2 4.14Å; A248-F349 HydrophobicContact CB-CZ 3.86Å
249	K	91	Very high	88.2	Confident	134 Å²	134	62.9 Å²	62.9	58%	0.583	28%	0.284	S	S	*	.	H	α-helix	trans	-62.3	-39	173.9	-73.1	177.8	-176.7	-175.7	0	112.3	V245 E246 N253	V245-K249 HydrophobicContact CG1-CD 4.25Å; V245-K249 WeakPolarHBondContact O-CG 3.28Å; V245-K249 PolarHBondContact O-N 2.85Å; E246-K249 PolarHBondContact O-N 3.12Å; K249-N253 VanDerWaalsContact O-CB 3.23Å; K249-N253 WeakPolarHBondContact O-CB 3.3Å; K249-N253 PolarHBondContact O-N 2.91Å
250	M	87.9	Confident	88.6	Confident	51 Å²	51	54.8 Å²	54.8	25%	0.251	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-42.1	174.1	-176.1	-173.4	71.7	0	0	111.8	E246 L247 A248 R254 I342 F346	E246-M250 WeakPolarHBondContact O-CB 3.21Å; E246-M250 PolarHBondContact O-N 2.93Å; L247-M250 HydrophobicContact CD2-CE 3.74Å; L247-M250 PolarHBondContact O-N 3.13Å; A248-M250 VanDerWaalsContact C-N 3.34Å; A248-M250 PolarHBondContact O-N 2.86Å; M250-R254 WeakPolarHBondContact O-CB 3.4Å; M250-R254 WeakPolarHBondContact O-CG 3.28Å; M250-R254 PolarHBondContact O-N 3.12Å; M250-I342 HydrophobicContact CE-CG1 4.22Å; M250-I342 HydrophobicContact SD-CD1 3.86Å; M250-I342 HydrophobicContact SD-CG1 4.17Å; M250-F346 HydrophobicContact CE-CD1 3.93Å; M250-F346 HydrophobicContact CE-CD2 3.67Å; M250-F346 HydrophobicContact CE-CE1 3.77Å; M250-F346 HydrophobicContact CE-CE2 3.51Å; M250-F346 HydrophobicContact CE-CG 3.88Å; M250-F346 HydrophobicContact CE-CZ 3.56Å
251	F	91.1	Very high	89	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-49.4	176.8	174.4	-104.5	0	0	0	112.3	V225 L247 A248 R254 I255 F316 M319 L323 F346 F349 L350 L353	V225-F251 HydrophobicContact CG2-CD1 4.11Å; V225-F251 HydrophobicContact CG2-CE1 3.85Å; L247-F251 WeakPolarHBondContact O-CB 3.48Å; L247-F251 PolarHBondContact O-N 2.87Å; A248-F251 WeakPolarHBondContact O-CB 3.46Å; A248-F251 PolarHBondContact O-N 2.81Å; F251-R254 PolarHBondContact O-N 2.82Å; F251-I255 HydrophobicContact CD1-CD1 4.06Å; F251-I255 HydrophobicContact CE1-CD1 3.53Å; F251-I255 HydrophobicContact CE2-CD1 4.34Å; F251-I255 HydrophobicContact CZ-CD1 3.7Å; F251-I255 PolarHBondContact O-N 3.41Å; F251-F316 HydrophobicContact CE2-CE2 4.13Å; F251-F316 HydrophobicContact CZ-CD2 4.22Å; F251-F316 AromaticContact CZ-CE2 3.64Å; F251-F316 HydrophobicContact CZ-CE2 3.64Å; F251-M319 HydrophobicContact CE2-CE 3.64Å; F251-M319 HydrophobicContact CE2-SD 4.31Å; F251-M319 HydrophobicContact CZ-CE 3.62Å; F251-L323 HydrophobicContact CD2-CD1 3.98Å; F251-L323 HydrophobicContact CE2-CD1 4.13Å; F251-F346 HydrophobicContact CB-CE2 4.3Å; F251-F349 HydrophobicContact CB-CE1 4.23Å; F251-F349 HydrophobicContact CG-CE1 4.28Å; F251-L350 HydrophobicContact CD2-CD2 3.66Å; F251-L350 HydrophobicContact CE2-CD2 3.59Å; F251-L353 HydrophobicContact CD1-CD2 4.08Å; F251-L353 HydrophobicContact CE1-CD2 3.49Å; F251-L353 VanDerWaalsContact CE1-CD2 3.49Å; F251-L353 HydrophobicContact CE2-CD2 4.42Å; F251-L353 HydrophobicContact CZ-CD2 3.69Å
252	L	92.8	Very high	89.2	Confident	10 Å²	10	46.2 Å²	46.2	5%	0.052	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-46.7	177.7	-69.3	171.8	0	0	0	112	I221 E222 V225 A248 R254 I255 N256 T304	I221-L252 HydrophobicContact CG2-CD2 3.89Å; E222-L252 HydrophobicContact CB-CD1 4.41Å; E222-L252 HydrophobicContact CB-CD2 4.36Å; E222-L252 HydrophobicContact CG-CD1 4.13Å; V225-L252 HydrophobicContact CB-CD1 4.37Å; V225-L252 HydrophobicContact CB-CD2 4.02Å; V225-L252 HydrophobicContact CB-CG 4.39Å; V225-L252 HydrophobicContact CG1-CD1 4.07Å; V225-L252 HydrophobicContact CG1-CD2 4.26Å; V225-L252 HydrophobicContact CG1-CG 4.11Å; V225-L252 HydrophobicContact CG2-CD2 3.97Å; A248-L252 WeakPolarHBondContact O-CG 3.07Å; A248-L252 PolarHBondContact O-N 2.84Å; L252-R254 VanDerWaalsContact C-N 3.31Å; L252-R254 PolarHBondContact O-N 3.11Å; L252-I255 WeakPolarHBondContact O-CB 3.35Å; L252-I255 PolarHBondContact O-N 3.02Å; L252-I255 VanDerWaalsContact O-N 3.09Å; L252-N256 PolarHBondContact O-N 3.42Å; L252-N256 VanDerWaalsContact O-N 3.16Å; L252-T304 HydrophobicContact CB-CG2 4.07Å; L252-T304 HydrophobicContact CD2-CG2 3.57Å; L252-T304 HydrophobicContact CG-CG2 4.45Å; L252-T304 WeakPolarHBondContact O-CG2 3.27Å
253	N	91.1	Very high	89.3	Confident	85 Å²	85	41.8 Å²	41.8	46%	0.455	19%	0.194	S	C	.	.	H	α-helix	trans	-59.1	-42.3	175	-175.4	4.1	0	0	0	111.4	K249 I255 N256 Y257	K249-N253 VanDerWaalsContact O-CB 3.23Å; K249-N253 WeakPolarHBondContact O-CB 3.3Å; K249-N253 PolarHBondContact O-N 2.91Å; N253-I255 VanDerWaalsContact C-N 3.33Å; N253-I255 PolarHBondContact O-N 3.29Å; N253-N256 PolarHBondContact O-N 3.24Å; N253-Y257 WeakPolarHBondContact O-CD2 3.4Å; N253-Y257 PolarHBondContact O-N 2.78Å; N253-Y257 WeakPolarHBondContact OD1-CD2 3.21Å; N253-Y257 WeakPolarHBondContact OD1-CE2 3.44Å
254	R	88.9	Confident	89.3	Confident	92 Å²	92	41.7 Å²	41.7	35%	0.347	20%	0.195	S	C	.	.	H	α-helix	trans	-61.4	-37.1	174.7	-81.2	-71.6	-170.2	-87.7	6.9	112.5	M250 F251 L252 Y257 W258 L323 E330	M250-R254 WeakPolarHBondContact O-CB 3.4Å; M250-R254 WeakPolarHBondContact O-CG 3.28Å; M250-R254 PolarHBondContact O-N 3.12Å; F251-R254 PolarHBondContact O-N 2.82Å; L252-R254 VanDerWaalsContact C-N 3.31Å; L252-R254 PolarHBondContact O-N 3.11Å; R254-Y257 PolarHBondContact O-N 3.35Å; R254-W258 VanDerWaalsContact O-CB 3.3Å; R254-W258 WeakPolarHBondContact O-CB 3.44Å; R254-W258 PolarHBondContact O-N 3.1Å; R254-L323 HydrophobicContact CB-CD2 3.79Å; R254-L323 HydrophobicContact CG-CD2 3.92Å; R254-E330 IonicContact NH2-OE2 2.68Å; R254-E330 PolarHBondContact NH2-OE2 3.06Å
255	I	90.3	Very high	89.2	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.036	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-43.1	174	-70.3	169.9	0	0	0	111.8	I221 F251 L252 N253 Y257 W258 T303 T304 L312 M319	I221-I255 HydrophobicContact CG2-CD1 3.84Å; F251-I255 HydrophobicContact CD1-CD1 4.06Å; F251-I255 HydrophobicContact CE1-CD1 3.53Å; F251-I255 HydrophobicContact CE2-CD1 4.34Å; F251-I255 HydrophobicContact CZ-CD1 3.7Å; F251-I255 PolarHBondContact O-N 3.41Å; L252-I255 WeakPolarHBondContact O-CB 3.35Å; L252-I255 PolarHBondContact O-N 3.02Å; L252-I255 VanDerWaalsContact O-N 3.09Å; N253-I255 VanDerWaalsContact C-N 3.33Å; N253-I255 PolarHBondContact O-N 3.29Å; I255-Y257 PolarHBondContact O-N 3.11Å; I255-W258 PolarHBondContact O-N 3.37Å; I255-W258 VanDerWaalsContact O-N 3.14Å; I255-T303 HydrophobicContact CG2-CG2 3.83Å; I255-T304 HydrophobicContact CB-CG2 3.74Å; I255-T304 HydrophobicContact CD1-CG2 4.28Å; I255-T304 HydrophobicContact CG2-CG2 3.64Å; I255-L312 HydrophobicContact CD1-CD1 4.21Å; I255-M319 HydrophobicContact CD1-CE 4.1Å; I255-M319 HydrophobicContact CD1-SD 4.13Å; I255-M319 HydrophobicContact CG1-CE 4.1Å; I255-M319 HydrophobicContact CG1-SD 3.45Å; I255-M319 WeakPolarHBondContact CG1-SD 3.43Å
256	N	90.6	Very high	88.8	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.032	21%	0.209	C	C	.	.	H	α-helix	trans	-66.5	-22	-176.2	-72.4	-23.4	0	0	0	114	L252 N253 Q293 E302 T303 T304	L252-N256 PolarHBondContact O-N 3.42Å; L252-N256 VanDerWaalsContact O-N 3.16Å; N253-N256 PolarHBondContact O-N 3.24Å; N256-Q293 PolarHBondContact O-NE2 3.17Å; N256-E302 PolarHBondContact ND2-OE1 3.49Å; N256-E302 PolarHBondContact ND2-OE2 3.31Å; N256-T303 WeakPolarHBondContact OD1-CB 3.37Å; N256-T303 PolarHBondContact OD1-N 2.98Å; N256-T304 PolarHBondContact ND2-OG1 2.96Å; N256-T304 WeakPolarHBondContact OD1-CG2 3.45Å; N256-T304 PolarHBondContact OD1-N 3.27Å; N256-T304 PolarHBondContact OD1-OG1 3.43Å
257	Y	87.1	Confident	88.5	Confident	134 Å²	134	47.4 Å²	47.4	53%	0.525	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	8.1	174.2	-63.1	-77	0	0	0	113.7	N253 R254 I255 Q293 R300	N253-Y257 WeakPolarHBondContact O-CD2 3.4Å; N253-Y257 PolarHBondContact O-N 2.78Å; N253-Y257 WeakPolarHBondContact OD1-CD2 3.21Å; N253-Y257 WeakPolarHBondContact OD1-CE2 3.44Å; R254-Y257 PolarHBondContact O-N 3.35Å; I255-Y257 PolarHBondContact O-N 3.11Å; Y257-Q293 VanDerWaalsContact CD1-OE1 3.31Å; Y257-R300 PolarHBondContact OH-NH2 3.16Å; Y257-R300 VanDerWaalsContact OH-NH2 3.07Å
258	W	87	Confident	88.1	Confident	29 Å²	29	54.8 Å²	54.8	11%	0.11	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-80.3	142.5	177.4	-175.8	62.8	0	0	0	111.3	R254 I255 L260 W285 V315 V318 M319	R254-W258 VanDerWaalsContact O-CB 3.3Å; R254-W258 WeakPolarHBondContact O-CB 3.44Å; R254-W258 PolarHBondContact O-N 3.1Å; I255-W258 PolarHBondContact O-N 3.37Å; I255-W258 VanDerWaalsContact O-N 3.14Å; W258-L260 HydrophobicContact CE3-CD1 3.54Å; W258-L260 HydrophobicContact CE3-CG 4.31Å; W258-L260 HydrophobicContact CH2-CG 4.46Å; W258-L260 HydrophobicContact CZ3-CB 4.47Å; W258-L260 HydrophobicContact CZ3-CD1 3.49Å; W258-L260 VanDerWaalsContact CZ3-CD1 3.49Å; W258-L260 HydrophobicContact CZ3-CG 3.76Å; W258-W285 WeakPolarHBondContact O-CZ2 3.41Å; W258-V315 HydrophobicContact CH2-CB 3.76Å; W258-V315 HydrophobicContact CH2-CG1 4.11Å; W258-V315 HydrophobicContact CH2-CG2 4.48Å; W258-V315 HydrophobicContact CZ3-CB 3.55Å; W258-V315 HydrophobicContact CZ3-CG1 3.81Å; W258-V315 HydrophobicContact CZ3-CG2 3.86Å; W258-V318 HydrophobicContact CZ2-CG1 4.28Å; W258-M319 HydrophobicContact CZ2-CB 4.33Å
259	H	88	Confident	87.3	Confident	101 Å²	101	60.6 Å²	60.6	47%	0.468	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-97.1	119.3	178.3	-153.3	-67.9	0	0	0	109.9	W285	H259-W285 AromaticContact CE1-CH2 3.73Å; H259-W285 AromaticContact CG-CH2 3.87Å; H259-W285 AromaticContact ND1-CH2 3.64Å; H259-W285 AromaticContact NE2-CH2 3.99Å
260	L	90.6	Very high	86.4	Confident	6 Å²	6	56.4 Å²	56.4	3%	0.031	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-65.9	147.3	175.5	-87	60.1	0	0	0	110.6	W258 Y282 W285 L311 V315	W258-L260 HydrophobicContact CE3-CD1 3.54Å; W258-L260 HydrophobicContact CE3-CG 4.31Å; W258-L260 HydrophobicContact CH2-CG 4.46Å; W258-L260 HydrophobicContact CZ3-CB 4.47Å; W258-L260 HydrophobicContact CZ3-CD1 3.49Å; W258-L260 VanDerWaalsContact CZ3-CD1 3.49Å; W258-L260 HydrophobicContact CZ3-CG 3.76Å; L260-Y282 HydrophobicContact CB-CD2 3.74Å; L260-Y282 HydrophobicContact CB-CE2 3.71Å; L260-Y282 HydrophobicContact CD2-CD2 4.08Å; L260-W285 HydrophobicContact CB-CD2 4.26Å; L260-W285 HydrophobicContact CB-CE3 3.97Å; L260-W285 HydrophobicContact CB-CH2 4.16Å; L260-W285 HydrophobicContact CB-CZ2 4.41Å; L260-W285 HydrophobicContact CB-CZ3 3.92Å; L260-W285 HydrophobicContact CD1-CD2 3.9Å; L260-W285 HydrophobicContact CD1-CE3 4.49Å; L260-W285 HydrophobicContact CD1-CG 4.16Å; L260-W285 HydrophobicContact CD1-CZ2 4.06Å; L260-W285 HydrophobicContact CD2-CB 4.12Å; L260-W285 HydrophobicContact CD2-CD2 3.91Å; L260-W285 HydrophobicContact CD2-CE3 4.1Å; L260-W285 HydrophobicContact CD2-CG 3.91Å; L260-W285 HydrophobicContact CG-CD2 4.24Å; L260-W285 HydrophobicContact CG-CE3 4.4Å; L260-L311 HydrophobicContact CD2-CD1 4.09Å; L260-V315 HydrophobicContact CG-CG1 4.44Å
261	E	89.3	Confident	85.3	Confident	29 Å²	29	58.3 Å²	58.3	14%	0.136	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-65.9	140.6	168.1	-64.1	-176.9	136.9	0	0	109.5	R269 Y278 Y282 V318	E261-R269 IonicContact OE1-CZ 3.36Å; E261-R269 IonicContact OE1-NH1 2.67Å; E261-R269 PolarHBondContact OE1-NH1 3.24Å; E261-R269 IonicContact OE2-NH1 3.38Å; E261-Y278 PolarHBondContact O-OH 3.16Å; E261-Y282 WeakPolarHBondContact O-CD2 3.37Å; E261-Y282 VanDerWaalsContact O-CE2 3.28Å; E261-Y282 WeakPolarHBondContact O-CE2 3.33Å; E261-V318 HydrophobicContact CG-CG1 4.36Å
262	A	89.7	Confident	84	Confident	4 Å²	4	66.2 Å²	66.2	3%	0.033	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-66.5	151.1	178.2	0	0	0	0	0	111.3	D180 S264 Q265 R266	D180-A262 HydrophobicContact CB-CB 4.37Å; A262-S264 PolarHBondContact O-N 3.21Å; A262-S264 VanDerWaalsContact O-N 3.15Å; A262-Q265 HydrophobicContact CB-CB 4.5Å; A262-Q265 HydrophobicContact CB-CG 4.1Å; A262-Q265 VanDerWaalsContact N-OE1 3.15Å; A262-Q265 WeakPolarHBondContact O-CA 3.49Å; A262-Q265 WeakPolarHBondContact O-CB 3.39Å; A262-Q265 PolarHBondContact O-N 3.04Å; A262-R266 PolarHBondContact O-N 3.01Å
263	P	88.2	Confident	82.9	Confident	1 Å²	1	69 Å²	69	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-60.4	-28.3	-179.6	-22.5	33.2	0	0	0	113.3	D182 R267 Y278 K279 Y282	D182-P263 HydrophobicContact CB-CG 4.3Å; P263-R267 WeakPolarHBondContact O-CB 3.48Å; P263-R267 PolarHBondContact O-N 2.82Å; P263-Y278 HydrophobicContact CB-CD1 4.46Å; P263-Y278 HydrophobicContact CG-CD1 4.46Å; P263-K279 HydrophobicContact CB-CB 4.23Å; P263-K279 HydrophobicContact CG-CB 4.19Å; P263-K279 HydrophobicContact CG-CG 4.3Å; P263-Y282 HydrophobicContact CG-CD1 3.73Å; P263-Y282 HydrophobicContact CG-CE1 4.32Å; P263-Y282 HydrophobicContact CG-CG 3.88Å
264	S	86.2	Confident	82	Confident	39 Å²	39	69.6 Å²	69.6	27%	0.273	34%	0.337	S	S	.	.	H	α-helix	trans	-61.6	-46.6	169	58.1	0	0	0	0	112.8	D180 A262 R267 L268	D180-S264 VanDerWaalsContact OD2-CB 3.27Å; D180-S264 WeakPolarHBondContact OD2-CB 3.33Å; D180-S264 PolarHBondContact OD2-OG 3.43Å; A262-S264 PolarHBondContact O-N 3.21Å; A262-S264 VanDerWaalsContact O-N 3.15Å; S264-R267 PolarHBondContact O-N 2.73Å; S264-L268 PolarHBondContact O-N 2.66Å
265	Q	84.6	Confident	81.6	Confident	109 Å²	109	66.9 Å²	66.9	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-67.9	-39.8	178.1	-62.3	169.5	-3.4	0	0	111.4	A262 L268 R269	A262-Q265 HydrophobicContact CB-CB 4.5Å; A262-Q265 HydrophobicContact CB-CG 4.1Å; A262-Q265 VanDerWaalsContact N-OE1 3.15Å; A262-Q265 WeakPolarHBondContact O-CA 3.49Å; A262-Q265 WeakPolarHBondContact O-CB 3.39Å; A262-Q265 PolarHBondContact O-N 3.04Å; Q265-L268 PolarHBondContact O-N 2.9Å; Q265-R269 PolarHBondContact O-N 2.64Å
266	R	82.3	Confident	81.3	Confident	21 Å²	21	71.1 Å²	71.1	8%	0.079	36%	0.359	C	S	.	.	H	α-helix	trans	-61.8	-44.8	174	-170.2	-174.7	-169.2	89.3	5.2	111.7	A262 L268 R269 S270 D273 Y278 S314	A262-R266 PolarHBondContact O-N 3.01Å; R266-L268 VanDerWaalsContact C-N 3.27Å; R266-L268 PolarHBondContact O-N 3.28Å; R266-R269 WeakPolarHBondContact O-CA 3.48Å; R266-R269 WeakPolarHBondContact O-CB 3.46Å; R266-R269 PolarHBondContact O-N 2.9Å; R266-S270 PolarHBondContact O-N 2.63Å; R266-D273 IonicContact CZ-OD2 3.34Å; R266-D273 IonicContact NE-OD2 3.25Å; R266-D273 PolarHBondContact NE-OD2 3.22Å; R266-D273 IonicContact NH2-OD2 3.43Å; R266-D273 PolarHBondContact NH2-OD2 3.49Å; R266-Y278 HydrophobicContact CB-CD1 4.4Å; R266-Y278 HydrophobicContact CB-CE1 4.35Å; R266-Y278 VanDerWaalsContact CD-CG 3.44Å; R266-Y278 HydrophobicContact CG-CD1 4.48Å; R266-S314 VanDerWaalsContact CZ-O 3.25Å; R266-S314 PolarHBondContact NH1-O 2.98Å; R266-S314 PolarHBondContact NH2-O 2.87Å
267	R	82.5	Confident	81	Confident	132 Å²	132	71.7 Å²	71.7	50%	0.498	37%	0.366	S	S	.	.	H	α-helix	trans	-58.5	-36.8	179.7	-170.3	-177.9	-45.2	-176.5	9.6	113	P263 S264 R269 I275	P263-R267 WeakPolarHBondContact O-CB 3.48Å; P263-R267 PolarHBondContact O-N 2.82Å; S264-R267 PolarHBondContact O-N 2.73Å; R267-R269 PolarHBondContact O-N 3.03Å; R267-I275 HydrophobicContact CB-CD1 4.28Å; R267-I275 HydrophobicContact CG-CD1 3.87Å
268	L	79.5	Confident	81.1	Confident	159 Å²	159	65.4 Å²	65.4	83%	0.832	34%	0.342	S	S	*	.	H	α-helix	trans	-68.4	-20.8	173.9	-75	162.1	0	0	0	113.7	S264 Q265 R266	S264-L268 PolarHBondContact O-N 2.66Å; Q265-L268 PolarHBondContact O-N 2.9Å; R266-L268 VanDerWaalsContact C-N 3.27Å; R266-L268 PolarHBondContact O-N 3.28Å
269	R	75.4	Confident	81.2	Confident	124 Å²	124	67.5 Å²	67.5	47%	0.468	35%	0.351	S	S	.	.	H	α-helix	trans	-98.6	-35	-176.4	-167.2	-177.1	-153.8	126.4	18.6	113.2	E261 Q265 R266 R267	E261-R269 IonicContact OE1-CZ 3.36Å; E261-R269 IonicContact OE1-NH1 2.67Å; E261-R269 PolarHBondContact OE1-NH1 3.24Å; E261-R269 IonicContact OE2-NH1 3.38Å; Q265-R269 PolarHBondContact O-N 2.64Å; R266-R269 WeakPolarHBondContact O-CA 3.48Å; R266-R269 WeakPolarHBondContact O-CB 3.46Å; R266-R269 PolarHBondContact O-N 2.9Å; R267-R269 PolarHBondContact O-N 3.03Å
270	S	70.6	Confident	81.2	Confident	46 Å²	46	66.4 Å²	66.4	32%	0.322	35%	0.346	S	S	.	.			trans	-147.4	77.7	-170.4	-58	0	0	0	0	109.7	R266 N272 D273	R266-S270 PolarHBondContact O-N 2.63Å; S270-N272 VanDerWaalsContact C-N 3.25Å; S270-N272 PolarHBondContact O-N 2.88Å; S270-D273 WeakPolarHBondContact O-CB 3.42Å; S270-D273 PolarHBondContact O-N 3.09Å
271	P	65	Low	81.2	Confident	91 Å²	91	66.9 Å²	66.9	59%	0.591	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.8	-174.6	27.6	-35.4	0	0	0	114.2
272	N	63.6	Low	81.3	Confident	166 Å²	166	65.8 Å²	65.8	89%	0.888	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	9.3	-178.4	-59.5	9.8	0	0	0	113.3	S270	S270-N272 VanDerWaalsContact C-N 3.25Å; S270-N272 PolarHBondContact O-N 2.88Å
273	D	70.5	Confident	81.4	Confident	68 Å²	68	66.7 Å²	66.7	36%	0.364	35%	0.349	S	S	.	.	S	Bend	trans	-97.4	162.1	-175.6	-170.2	32.2	0	0	0	111.3	R266 S270 I275	R266-D273 IonicContact CZ-OD2 3.34Å; R266-D273 IonicContact NE-OD2 3.25Å; R266-D273 PolarHBondContact NE-OD2 3.22Å; R266-D273 IonicContact NH2-OD2 3.43Å; R266-D273 PolarHBondContact NH2-OD2 3.49Å; S270-D273 WeakPolarHBondContact O-CB 3.42Å; S270-D273 PolarHBondContact O-N 3.09Å; D273-I275 VanDerWaalsContact C-N 3.29Å; D273-I275 PolarHBondContact O-N 2.88Å
274	D	72.6	Confident	81.5	Confident	97 Å²	97	67.5 Å²	67.5	52%	0.519	35%	0.352	S	S	.	.			trans	-73.2	84.6	177.6	179.4	19.8	0	0	0	111.9	S276 G277 Y278	D274-S276 PolarHBondContact O-N 2.96Å; D274-S276 WeakPolarHBondContact OD1-CA 3.27Å; D274-S276 VanDerWaalsContact OD1-CB 3.28Å; D274-S276 WeakPolarHBondContact OD1-CB 3.5Å; D274-S276 PolarHBondContact OD1-N 2.88Å; D274-G277 VanDerWaalsContact CG-N 3.31Å; D274-G277 PolarHBondContact OD1-N 3.41Å; D274-G277 VanDerWaalsContact OD2-CA 3.29Å; D274-G277 WeakPolarHBondContact OD2-CA 3.24Å; D274-G277 PolarHBondContact OD2-N 3.46Å; D274-G277 VanDerWaalsContact OD2-N 3.13Å; D274-Y278 WeakPolarHBondContact O-CB 3.47Å; D274-Y278 PolarHBondContact O-N 3.14Å; D274-Y278 VanDerWaalsContact O-N 3.07Å
275	I	80	Confident	81.9	Confident	36 Å²	36	65.7 Å²	65.7	19%	0.185	34%	0.339	C	S	.	.	H	α-helix	trans	-66	-23.6	175.1	-65.5	149.4	0	0	0	111.4	R267 D273 K279	R267-I275 HydrophobicContact CB-CD1 4.28Å; R267-I275 HydrophobicContact CG-CD1 3.87Å; D273-I275 VanDerWaalsContact C-N 3.29Å; D273-I275 PolarHBondContact O-N 2.88Å; I275-K279 VanDerWaalsContact O-CB 3.22Å; I275-K279 WeakPolarHBondContact O-CB 3.34Å; I275-K279 PolarHBondContact O-N 3.48Å
276	S	83.3	Confident	82.3	Confident	95 Å²	95	60.5 Å²	60.5	66%	0.664	32%	0.315	S	S	*	.	H	α-helix	trans	-75.6	-56.5	-178.7	-163.1	0	0	0	0	110.9	D274 Y278 K279 E280	D274-S276 PolarHBondContact O-N 2.96Å; D274-S276 WeakPolarHBondContact OD1-CA 3.27Å; D274-S276 VanDerWaalsContact OD1-CB 3.28Å; D274-S276 WeakPolarHBondContact OD1-CB 3.5Å; D274-S276 PolarHBondContact OD1-N 2.88Å; S276-Y278 PolarHBondContact O-N 3.14Å; S276-K279 PolarHBondContact O-N 2.84Å; S276-K279 VanDerWaalsContact O-N 3.12Å; S276-E280 PolarHBondContact O-N 3.41Å
277	G	84.9	Confident	82.7	Confident	18 Å²	18	59.6 Å²	59.6	19%	0.186	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-32.6	173.3	0	0	0	0	0	112.5	D274 N281	D274-G277 VanDerWaalsContact CG-N 3.31Å; D274-G277 PolarHBondContact OD1-N 3.41Å; D274-G277 VanDerWaalsContact OD2-CA 3.29Å; D274-G277 WeakPolarHBondContact OD2-CA 3.24Å; D274-G277 PolarHBondContact OD2-N 3.46Å; D274-G277 VanDerWaalsContact OD2-N 3.13Å; G277-N281 PolarHBondContact O-N 3.25Å; G277-N281 PolarHBondContact O-ND2 3.43Å
278	Y	88.9	Confident	83.1	Confident	3 Å²	3	54 Å²	54	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-46.7	171.1	-170	-102.5	0	0	0	112.9	E261 P263 R266 D274 S276 E280 N281 Y282 L311 V315	E261-Y278 PolarHBondContact O-OH 3.16Å; P263-Y278 HydrophobicContact CB-CD1 4.46Å; P263-Y278 HydrophobicContact CG-CD1 4.46Å; R266-Y278 HydrophobicContact CB-CD1 4.4Å; R266-Y278 HydrophobicContact CB-CE1 4.35Å; R266-Y278 VanDerWaalsContact CD-CG 3.44Å; R266-Y278 HydrophobicContact CG-CD1 4.48Å; D274-Y278 WeakPolarHBondContact O-CB 3.47Å; D274-Y278 PolarHBondContact O-N 3.14Å; D274-Y278 VanDerWaalsContact O-N 3.07Å; S276-Y278 PolarHBondContact O-N 3.14Å; Y278-E280 VanDerWaalsContact C-N 3.31Å; Y278-E280 PolarHBondContact O-N 3.24Å; Y278-N281 PolarHBondContact O-N 3.31Å; Y278-Y282 HydrophobicContact CE1-CD2 4.28Å; Y278-Y282 VanDerWaalsContact O-CB 3.32Å; Y278-Y282 WeakPolarHBondContact O-CB 3.06Å; Y278-Y282 PolarHBondContact O-N 3.33Å; Y278-L311 HydrophobicContact CE2-CD1 4.35Å; Y278-V315 HydrophobicContact CE2-CG1 3.89Å
279	K	89.3	Confident	83.6	Confident	73 Å²	73	46.5 Å²	46.5	32%	0.317	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-38.2	179.5	174.7	170.3	170	167.8	0	112.1	D182 P263 I275 S276 T283	D182-K279 VanDerWaalsContact OD1-CE 3.27Å; D182-K279 WeakPolarHBondContact OD1-CE 3.49Å; D182-K279 IonicContact OD1-NZ 2.9Å; D182-K279 PolarHBondContact OD1-NZ 2.76Å; P263-K279 HydrophobicContact CB-CB 4.23Å; P263-K279 HydrophobicContact CG-CB 4.19Å; P263-K279 HydrophobicContact CG-CG 4.3Å; I275-K279 VanDerWaalsContact O-CB 3.22Å; I275-K279 WeakPolarHBondContact O-CB 3.34Å; I275-K279 PolarHBondContact O-N 3.48Å; S276-K279 PolarHBondContact O-N 2.84Å; S276-K279 VanDerWaalsContact O-N 3.12Å; K279-T283 WeakPolarHBondContact O-CB 3.45Å; K279-T283 PolarHBondContact O-N 2.66Å; K279-T283 PolarHBondContact O-OG1 2.98Å
280	E	88.9	Confident	84.5	Confident	77 Å²	77	41.3 Å²	41.3	36%	0.36	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-48	175.3	-162.6	-163.2	-160.8	0	0	111.3	L210 S276 Y278 T283 R284	L210-E280 HydrophobicContact CD2-CG 4.06Å; S276-E280 PolarHBondContact O-N 3.41Å; Y278-E280 VanDerWaalsContact C-N 3.31Å; Y278-E280 PolarHBondContact O-N 3.24Å; E280-T283 WeakPolarHBondContact O-CB 3.14Å; E280-T283 PolarHBondContact O-N 2.92Å; E280-R284 PolarHBondContact O-N 2.64Å; E280-R284 IonicContact OE1-CZ 2.64Å; E280-R284 IonicContact OE1-NH1 2.88Å; E280-R284 IonicContact OE1-NH2 3.1Å; E280-R284 PolarHBondContact OE1-NH2 3.43Å; E280-R284 IonicContact OE2-CZ 2.76Å; E280-R284 IonicContact OE2-NH1 3.79Å; E280-R284 PolarHBondContact OE2-NH1 3.45Å; E280-R284 IonicContact OE2-NH2 3.85Å; E280-R284 PolarHBondContact OE2-NH2 2.96Å
281	N	90.1	Very high	85.4	Confident	17 Å²	17	39.1 Å²	39.1	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-70.8	-32.6	179.7	-70.9	-50.8	0	0	0	113.3	G277 Y278 R284 W285 F307 L311	G277-N281 PolarHBondContact O-N 3.25Å; G277-N281 PolarHBondContact O-ND2 3.43Å; Y278-N281 PolarHBondContact O-N 3.31Å; N281-R284 PolarHBondContact O-N 2.8Å; N281-R284 PolarHBondContact OD1-NH1 3.04Å; N281-W285 WeakPolarHBondContact O-CB 3.5Å; N281-W285 PolarHBondContact O-N 2.84Å; N281-F307 HydrophobicContact CB-CE1 4.07Å; N281-L311 HydrophobicContact CB-CD1 4.32Å
282	Y	92	Very high	86.7	Confident	5 Å²	5	35 Å²	35	2%	0.02	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-44	169.4	-174.9	-97.2	0	0	0	111.5	T183 L260 E261 P263 Y278 W285 L286	T183-Y282 PolarHBondContact OG1-OH 2.79Å; T183-Y282 VanDerWaalsContact OG1-OH 3.07Å; L260-Y282 HydrophobicContact CB-CD2 3.74Å; L260-Y282 HydrophobicContact CB-CE2 3.71Å; L260-Y282 HydrophobicContact CD2-CD2 4.08Å; E261-Y282 WeakPolarHBondContact O-CD2 3.37Å; E261-Y282 VanDerWaalsContact O-CE2 3.28Å; E261-Y282 WeakPolarHBondContact O-CE2 3.33Å; P263-Y282 HydrophobicContact CG-CD1 3.73Å; P263-Y282 HydrophobicContact CG-CE1 4.32Å; P263-Y282 HydrophobicContact CG-CG 3.88Å; Y278-Y282 HydrophobicContact CE1-CD2 4.28Å; Y278-Y282 VanDerWaalsContact O-CB 3.32Å; Y278-Y282 WeakPolarHBondContact O-CB 3.06Å; Y278-Y282 PolarHBondContact O-N 3.33Å; Y282-W285 HydrophobicContact CD2-CE3 4.17Å; Y282-W285 HydrophobicContact CD2-CZ3 4.4Å; Y282-W285 HydrophobicContact CE2-CE3 4.04Å; Y282-W285 AromaticContact CE2-CZ3 3.81Å; Y282-W285 HydrophobicContact CE2-CZ3 3.81Å; Y282-W285 PolarHBondContact O-N 2.93Å; Y282-L286 HydrophobicContact CD1-CD1 3.99Å; Y282-L286 HydrophobicContact CD1-CG 4.42Å; Y282-L286 HydrophobicContact CE1-CD1 3.47Å; Y282-L286 VanDerWaalsContact CE1-CD1 3.47Å; Y282-L286 HydrophobicContact CE1-CG 4.04Å; Y282-L286 PolarHBondContact O-N 2.86Å
283	T	91.2	Very high	87.9	Confident	24 Å²	24	29.5 Å²	29.5	15%	0.147	16%	0.16	C	C	.	.	H	α-helix	trans	-62.8	-45.4	176.3	-57.9	0	0	0	0	111.4	V186 L210 K279 E280 W285 L286 C287	V186-T283 HydrophobicContact CG2-CG2 3.85Å; L210-T283 HydrophobicContact CD1-CG2 3.83Å; L210-T283 HydrophobicContact CD2-CG2 4.39Å; K279-T283 WeakPolarHBondContact O-CB 3.45Å; K279-T283 PolarHBondContact O-N 2.66Å; K279-T283 PolarHBondContact O-OG1 2.98Å; E280-T283 WeakPolarHBondContact O-CB 3.14Å; E280-T283 PolarHBondContact O-N 2.92Å; T283-W285 VanDerWaalsContact C-N 3.35Å; T283-W285 PolarHBondContact O-N 3.06Å; T283-L286 PolarHBondContact O-N 2.66Å; T283-C287 PolarHBondContact O-N 3Å; T283-C287 PolarHBondContact O-SG 3.18Å
284	R	91	Very high	88.6	Confident	17 Å²	17	27.7 Å²	27.7	6%	0.064	15%	0.149	C	C	.	.	H	α-helix	trans	-57.5	-46.1	172.4	-73	176.8	174.2	116.5	14.8	111.8	L210 F216 E280 N281 C287 Y288 F307	L210-R284 HydrophobicContact CD2-CG 4.35Å; F216-R284 HydrophobicContact CD1-CG 4.36Å; F216-R284 HydrophobicContact CD2-CB 4.44Å; F216-R284 HydrophobicContact CE1-CB 4.41Å; F216-R284 HydrophobicContact CE1-CG 4.04Å; F216-R284 HydrophobicContact CE2-CB 3.92Å; F216-R284 HydrophobicContact CE2-CG 4.36Å; F216-R284 HydrophobicContact CZ-CB 3.91Å; F216-R284 HydrophobicContact CZ-CG 4.06Å; E280-R284 PolarHBondContact O-N 2.64Å; E280-R284 IonicContact OE1-CZ 2.64Å; E280-R284 IonicContact OE1-NH1 2.88Å; E280-R284 IonicContact OE1-NH2 3.1Å; E280-R284 PolarHBondContact OE1-NH2 3.43Å; E280-R284 IonicContact OE2-CZ 2.76Å; E280-R284 IonicContact OE2-NH1 3.79Å; E280-R284 PolarHBondContact OE2-NH1 3.45Å; E280-R284 IonicContact OE2-NH2 3.85Å; E280-R284 PolarHBondContact OE2-NH2 2.96Å; N281-R284 PolarHBondContact O-N 2.8Å; N281-R284 PolarHBondContact OD1-NH1 3.04Å; R284-C287 PolarHBondContact O-N 3.21Å; R284-Y288 WeakPolarHBondContact O-CB 3.46Å; R284-Y288 WeakPolarHBondContact O-CD2 3.49Å; R284-Y288 PolarHBondContact O-N 3.1Å; R284-F307 HydrophobicContact CB-CE1 4.02Å; R284-F307 HydrophobicContact CB-CZ 3.68Å
285	W	93.3	Very high	89.4	Confident	1 Å²	1	23.1 Å²	23.1	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-63.7	-42.5	-179.2	168.6	81.1	0	0	0	111.9	W258 H259 L260 N281 Y282 T283 C289 N290 F307	W258-W285 WeakPolarHBondContact O-CZ2 3.41Å; H259-W285 AromaticContact CE1-CH2 3.73Å; H259-W285 AromaticContact CG-CH2 3.87Å; H259-W285 AromaticContact ND1-CH2 3.64Å; H259-W285 AromaticContact NE2-CH2 3.99Å; L260-W285 HydrophobicContact CB-CD2 4.26Å; L260-W285 HydrophobicContact CB-CE3 3.97Å; L260-W285 HydrophobicContact CB-CH2 4.16Å; L260-W285 HydrophobicContact CB-CZ2 4.41Å; L260-W285 HydrophobicContact CB-CZ3 3.92Å; L260-W285 HydrophobicContact CD1-CD2 3.9Å; L260-W285 HydrophobicContact CD1-CE3 4.49Å; L260-W285 HydrophobicContact CD1-CG 4.16Å; L260-W285 HydrophobicContact CD1-CZ2 4.06Å; L260-W285 HydrophobicContact CD2-CB 4.12Å; L260-W285 HydrophobicContact CD2-CD2 3.91Å; L260-W285 HydrophobicContact CD2-CE3 4.1Å; L260-W285 HydrophobicContact CD2-CG 3.91Å; L260-W285 HydrophobicContact CG-CD2 4.24Å; L260-W285 HydrophobicContact CG-CE3 4.4Å; N281-W285 WeakPolarHBondContact O-CB 3.5Å; N281-W285 PolarHBondContact O-N 2.84Å; Y282-W285 HydrophobicContact CD2-CE3 4.17Å; Y282-W285 HydrophobicContact CD2-CZ3 4.4Å; Y282-W285 HydrophobicContact CE2-CE3 4.04Å; Y282-W285 AromaticContact CE2-CZ3 3.81Å; Y282-W285 HydrophobicContact CE2-CZ3 3.81Å; Y282-W285 PolarHBondContact O-N 2.93Å; T283-W285 VanDerWaalsContact C-N 3.35Å; T283-W285 PolarHBondContact O-N 3.06Å; W285-C289 HydrophobicContact CG-CB 4.33Å; W285-C289 CarbonylContact O-C 3.58Å; W285-C289 WeakPolarHBondContact O-CA 3.12Å; W285-C289 VanDerWaalsContact O-CB 3.3Å; W285-C289 WeakPolarHBondContact O-CB 3.32Å; W285-C289 PolarHBondContact O-N 2.91Å; W285-N290 HydrophobicContact CD2-CB 4.04Å; W285-N290 HydrophobicContact CE3-CB 4.24Å; W285-N290 HydrophobicContact CH2-CB 3.8Å; W285-N290 WeakPolarHBondContact CH2-ND2 3.2Å; W285-N290 HydrophobicContact CZ2-CB 3.58Å; W285-N290 VanDerWaalsContact CZ2-ND2 3.3Å; W285-N290 WeakPolarHBondContact CZ2-ND2 3.47Å; W285-N290 HydrophobicContact CZ3-CB 4.13Å; W285-N290 PolarHBondContact O-N 3.05Å; W285-F307 HydrophobicContact CB-CE2 3.99Å; W285-F307 HydrophobicContact CB-CZ 3.96Å
286	L	92.6	Very high	89.7	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	I	π-helix	trans	-58.3	-54.1	172.5	-77.4	179.3	0	0	0	111.7	T183 V186 Y187 Y282 T283 Y288 N290 V291	T183-L286 HydrophobicContact CG2-CD1 4.02Å; V186-L286 HydrophobicContact CB-CD1 3.89Å; V186-L286 HydrophobicContact CG1-CB 3.79Å; V186-L286 HydrophobicContact CG1-CD1 4.01Å; V186-L286 HydrophobicContact CG2-CD1 4.08Å; Y187-L286 HydrophobicContact CE1-CD2 4.28Å; Y282-L286 HydrophobicContact CD1-CD1 3.99Å; Y282-L286 HydrophobicContact CD1-CG 4.42Å; Y282-L286 HydrophobicContact CE1-CD1 3.47Å; Y282-L286 VanDerWaalsContact CE1-CD1 3.47Å; Y282-L286 HydrophobicContact CE1-CG 4.04Å; Y282-L286 PolarHBondContact O-N 2.86Å; T283-L286 PolarHBondContact O-N 2.66Å; L286-Y288 PolarHBondContact O-N 2.9Å; L286-N290 HydrophobicContact CD2-CB 4.32Å; L286-V291 HydrophobicContact CD2-CG2 4.48Å; L286-V291 WeakPolarHBondContact O-CB 3.42Å; L286-V291 VanDerWaalsContact O-CG2 3.31Å; L286-V291 WeakPolarHBondContact O-CG2 3.37Å; L286-V291 PolarHBondContact O-N 3.07Å
287	C	91.2	Very high	90	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.014	11%	0.114	C	C	.	.	I	π-helix	trans	-63.8	-40.2	-175.2	-72.4	0	0	0	0	114.4	V206 T283 R284 P292	V206-C287 HydrophobicContact CG2-CB 4.3Å; T283-C287 PolarHBondContact O-N 3Å; T283-C287 PolarHBondContact O-SG 3.18Å; R284-C287 PolarHBondContact O-N 3.21Å; C287-P292 WeakPolarHBondContact O-CG 3.43Å
288	Y	90.4	Very high	90.2	Very high	16 Å²	16	21.8 Å²	21.8	6%	0.063	11%	0.108	C	C	.	.	I	π-helix	trans	-110.7	-20.6	-168.6	-66.3	-79.2	0	0	0	114.7	V206 P214 F216 R284 L286 Y301	V206-Y288 HydrophobicContact CB-CE1 4.33Å; V206-Y288 HydrophobicContact CG1-CE2 4.33Å; V206-Y288 HydrophobicContact CG2-CE1 4.35Å; P214-Y288 HydrophobicContact CG-CD1 4.02Å; P214-Y288 HydrophobicContact CG-CE1 4.15Å; P214-Y288 HydrophobicContact CG-CG 4.48Å; F216-Y288 HydrophobicContact CE1-CD2 4.26Å; F216-Y288 HydrophobicContact CE1-CE2 4.19Å; F216-Y288 AromaticContact CZ-CD2 3.58Å; F216-Y288 HydrophobicContact CZ-CD2 3.58Å; F216-Y288 AromaticContact CZ-CE2 3.98Å; F216-Y288 HydrophobicContact CZ-CE2 3.98Å; F216-Y288 HydrophobicContact CZ-CG 4.08Å; R284-Y288 WeakPolarHBondContact O-CB 3.46Å; R284-Y288 WeakPolarHBondContact O-CD2 3.49Å; R284-Y288 PolarHBondContact O-N 3.1Å; L286-Y288 PolarHBondContact O-N 2.9Å; Y288-Y301 AromaticContact CD1-CD2 3.95Å; Y288-Y301 HydrophobicContact CD1-CD2 3.95Å; Y288-Y301 AromaticContact CD1-CE2 3.89Å; Y288-Y301 HydrophobicContact CD1-CE2 3.89Å; Y288-Y301 HydrophobicContact CG-CD2 4.49Å; Y288-Y301 PolarHBondContact O-N 2.92Å
289	C	91.3	Very high	90.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	I	π-helix	trans	-121	-38.9	-171.5	-57.2	0	0	0	0	114.2	W285 Q293	W285-C289 HydrophobicContact CG-CB 4.33Å; W285-C289 CarbonylContact O-C 3.58Å; W285-C289 WeakPolarHBondContact O-CA 3.12Å; W285-C289 VanDerWaalsContact O-CB 3.3Å; W285-C289 WeakPolarHBondContact O-CB 3.32Å; W285-C289 PolarHBondContact O-N 2.91Å; C289-Q293 WeakPolarHBondContact O-CG 3.47Å; C289-Q293 PolarHBondContact O-NE2 3.43Å
290	N	92.9	Very high	90.2	Very high	16 Å²	16	25.7 Å²	25.7	9%	0.086	13%	0.127	C	C	.	.	I	π-helix	trans	-97.8	-54.9	-173.9	174.6	-80.1	0	0	0	113.8	W285 L286 P292 Q293	W285-N290 HydrophobicContact CD2-CB 4.04Å; W285-N290 HydrophobicContact CE3-CB 4.24Å; W285-N290 HydrophobicContact CH2-CB 3.8Å; W285-N290 WeakPolarHBondContact CH2-ND2 3.2Å; W285-N290 HydrophobicContact CZ2-CB 3.58Å; W285-N290 VanDerWaalsContact CZ2-ND2 3.3Å; W285-N290 WeakPolarHBondContact CZ2-ND2 3.47Å; W285-N290 HydrophobicContact CZ3-CB 4.13Å; W285-N290 PolarHBondContact O-N 3.05Å; L286-N290 HydrophobicContact CD2-CB 4.32Å; N290-P292 VanDerWaalsContact C-N 3.34Å; N290-Q293 VanDerWaalsContact O-CB 3.3Å; N290-Q293 WeakPolarHBondContact O-CB 3.42Å; N290-Q293 WeakPolarHBondContact O-CG 3.2Å; N290-Q293 PolarHBondContact O-N 3.35Å
291	V	91.1	Very high	90.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-62	-38.1	179.7	-178.3	0	0	0	0	111.8	L171 Y187 L190 L286 Q293 F294 C295 L298	L171-V291 HydrophobicContact CD1-CG1 4.35Å; L171-V291 HydrophobicContact CD2-CG1 3.91Å; Y187-V291 HydrophobicContact CD1-CG2 4.01Å; Y187-V291 HydrophobicContact CE1-CG2 3.74Å; L190-V291 HydrophobicContact CD1-CB 3.92Å; L190-V291 HydrophobicContact CD1-CG1 3.88Å; L190-V291 HydrophobicContact CD1-CG2 3.82Å; L286-V291 HydrophobicContact CD2-CG2 4.48Å; L286-V291 WeakPolarHBondContact O-CB 3.42Å; L286-V291 VanDerWaalsContact O-CG2 3.31Å; L286-V291 WeakPolarHBondContact O-CG2 3.37Å; L286-V291 PolarHBondContact O-N 3.07Å; V291-Q293 PolarHBondContact O-N 3.19Å; V291-F294 HydrophobicContact CB-CZ 4.12Å; V291-F294 HydrophobicContact CG1-CE2 3.89Å; V291-F294 HydrophobicContact CG1-CZ 3.94Å; V291-F294 HydrophobicContact CG2-CZ 3.99Å; V291-F294 PolarHBondContact O-N 3.27Å; V291-F294 VanDerWaalsContact O-N 3.11Å; V291-C295 HydrophobicContact CG1-CB 4.07Å; V291-C295 WeakPolarHBondContact O-CB 3.42Å; V291-C295 PolarHBondContact O-N 3.39Å; V291-L298 HydrophobicContact CB-CD1 4.44Å; V291-L298 HydrophobicContact CG1-CD1 3.84Å
292	P	91.3	Very high	90.5	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.032	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-64.2	-1.9	171.2	-23.8	35.9	0	0	0	116.1	C287 N290 L298 R300	C287-P292 WeakPolarHBondContact O-CG 3.43Å; N290-P292 VanDerWaalsContact C-N 3.34Å; P292-L298 HydrophobicContact CB-CB 4.22Å; P292-L298 HydrophobicContact CG-CB 3.86Å; P292-R300 HydrophobicContact CB-CB 3.58Å; P292-R300 HydrophobicContact CB-CG 4.08Å
293	Q	88.1	Confident	90.6	Very high	50 Å²	50	28.5 Å²	28.5	23%	0.234	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-82.3	-15.3	171	-51	-166	12.9	0	0	113.3	S72 N256 Y257 C289 N290 V291	S72-Q293 PolarHBondContact OG-O 3.45Å; N256-Q293 PolarHBondContact O-NE2 3.17Å; Y257-Q293 VanDerWaalsContact CD1-OE1 3.31Å; C289-Q293 WeakPolarHBondContact O-CG 3.47Å; C289-Q293 PolarHBondContact O-NE2 3.43Å; N290-Q293 VanDerWaalsContact O-CB 3.3Å; N290-Q293 WeakPolarHBondContact O-CB 3.42Å; N290-Q293 WeakPolarHBondContact O-CG 3.2Å; N290-Q293 PolarHBondContact O-N 3.35Å; V291-Q293 PolarHBondContact O-N 3.19Å
294	F	86.9	Confident	90.7	Very high	30 Å²	30	27.4 Å²	27.4	13%	0.132	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-22.7	176.5	55.3	-95.7	0	0	0	113.3	S72 I75 Y170 L171 V291	S72-F294 WeakPolarHBondContact OG-CB 3.06Å; I75-F294 HydrophobicContact CD1-CB 4.22Å; Y170-F294 AromaticContact CD1-CD2 3.67Å; Y170-F294 HydrophobicContact CD1-CD2 3.67Å; Y170-F294 AromaticContact CD1-CE2 3.92Å; Y170-F294 HydrophobicContact CD1-CE2 3.92Å; Y170-F294 AromaticContact CE1-CD2 3.43Å; Y170-F294 HydrophobicContact CE1-CD2 3.43Å; Y170-F294 VanDerWaalsContact CE1-CD2 3.43Å; Y170-F294 AromaticContact CE1-CE2 3.65Å; Y170-F294 HydrophobicContact CE1-CE2 3.65Å; Y170-F294 HydrophobicContact CE1-CG 4.22Å; L171-F294 HydrophobicContact CD2-CE2 4.39Å; V291-F294 HydrophobicContact CB-CZ 4.12Å; V291-F294 HydrophobicContact CG1-CE2 3.89Å; V291-F294 HydrophobicContact CG1-CZ 3.94Å; V291-F294 HydrophobicContact CG2-CZ 3.99Å; V291-F294 PolarHBondContact O-N 3.27Å; V291-F294 VanDerWaalsContact O-N 3.11Å
295	C	88.4	Confident	90.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.			trans	-101	81	170	-57.4	0	0	0	0	111	D167 V291 S297 L298	D167-C295 HydrophobicContact CB-CB 4.09Å; D167-C295 WeakPolarHBondContact OD1-CA 3.34Å; D167-C295 WeakPolarHBondContact OD2-CA 3.08Å; V291-C295 HydrophobicContact CG1-CB 4.07Å; V291-C295 WeakPolarHBondContact O-CB 3.42Å; V291-C295 PolarHBondContact O-N 3.39Å; C295-S297 PolarHBondContact O-N 3Å; C295-L298 HydrophobicContact CB-CD1 4.17Å; C295-L298 PolarHBondContact O-N 3.38Å
296	D	87.1	Confident	90.8	Very high	90 Å²	90	31 Å²	31	48%	0.481	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-13.2	-179.3	75.5	-1	0	0	0	114.6	K79 R83 L298	K79-D296 VanDerWaalsContact NZ-CG 3.28Å; K79-D296 IonicContact NZ-OD1 2.73Å; K79-D296 PolarHBondContact NZ-OD1 3Å; K79-D296 IonicContact NZ-OD2 3.11Å; R83-D296 IonicContact NH2-OD1 3.7Å; R83-D296 IonicContact NH2-OD2 3.34Å; R83-D296 PolarHBondContact NH2-OD2 3.29Å; D296-L298 VanDerWaalsContact C-N 3.3Å; D296-L298 PolarHBondContact O-N 2.89Å
297	S	88.8	Confident	90.8	Very high	23 Å²	23	31 Å²	31	16%	0.161	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-23	172.9	-58.4	0	0	0	0	114.6	I164 D167 P204 C295	I164-S297 WeakPolarHBondContact CA-OG 3.35Å; I164-S297 WeakPolarHBondContact CG1-OG 3.49Å; I164-S297 PolarHBondContact N-OG 3.06Å; D167-S297 WeakPolarHBondContact OD2-CB 3.42Å; D167-S297 PolarHBondContact OD2-N 3.15Å; D167-S297 PolarHBondContact OD2-OG 2.88Å; P204-S297 WeakPolarHBondContact CG-O 3.44Å; C295-S297 PolarHBondContact O-N 3Å
298	L	89.2	Confident	90.9	Very high	8 Å²	8	31 Å²	31	4%	0.042	15%	0.148	C	C	.	.	S	Bend	trans	-93.5	147.2	-177.3	-70.2	171.2	0	0	0	111.6	L190 L193 L194 P204 V291 P292 C295 D296 R300	L190-L298 HydrophobicContact CD1-CD1 4.35Å; L190-L298 HydrophobicContact CD2-CD1 4.14Å; L190-L298 HydrophobicContact CD2-CD2 4.43Å; L193-L298 HydrophobicContact CD2-CD2 4.48Å; L194-L298 HydrophobicContact CD2-CD2 3.68Å; L194-L298 HydrophobicContact CD2-CG 4.1Å; P204-L298 HydrophobicContact CB-CD2 4.04Å; P204-L298 HydrophobicContact CG-CD2 4.19Å; V291-L298 HydrophobicContact CB-CD1 4.44Å; V291-L298 HydrophobicContact CG1-CD1 3.84Å; P292-L298 HydrophobicContact CB-CB 4.22Å; P292-L298 HydrophobicContact CG-CB 3.86Å; C295-L298 HydrophobicContact CB-CD1 4.17Å; C295-L298 PolarHBondContact O-N 3.38Å; D296-L298 VanDerWaalsContact C-N 3.3Å; D296-L298 PolarHBondContact O-N 2.89Å; L298-R300 PolarHBondContact O-N 3.28Å
299	P	88	Confident	91	Very high	54 Å²	54	32 Å²	32	35%	0.351	15%	0.152	S	C	.	.			trans	-57.9	111.6	172.6	-25.3	35.6	0	0	0	112.2	P204 Y301	P204-P299 WeakPolarHBondContact O-CD 3.38Å; P299-Y301 HydrophobicContact CB-CE2 3.85Å
300	R	90.3	Very high	91	Very high	105 Å²	105	35.8 Å²	35.8	40%	0.396	18%	0.175	S	C	.	.			trans	-87.9	133.8	176.9	179	175.5	167.3	148.5	-1	111.5	Y257 P292 L298	Y257-R300 PolarHBondContact OH-NH2 3.16Å; Y257-R300 VanDerWaalsContact OH-NH2 3.07Å; P292-R300 HydrophobicContact CB-CB 3.58Å; P292-R300 HydrophobicContact CB-CG 4.08Å; L298-R300 PolarHBondContact O-N 3.28Å
301	Y	91.4	Very high	90.9	Very high	92 Å²	92	35.2 Å²	35.2	36%	0.361	17%	0.172	S	C	.	.			trans	-126.3	161.1	169	-62.5	-93.2	0	0	0	110.8	P214 Y288 P299 V306	P214-Y301 HydrophobicContact CB-CD1 4.25Å; P214-Y301 HydrophobicContact CB-CE1 4.33Å; P214-Y301 HydrophobicContact CB-CG 4.41Å; P214-Y301 HydrophobicContact CG-CD1 4.07Å; P214-Y301 HydrophobicContact CG-CD2 3.91Å; P214-Y301 HydrophobicContact CG-CE1 3.8Å; P214-Y301 HydrophobicContact CG-CE2 3.63Å; P214-Y301 HydrophobicContact CG-CG 4.13Å; Y288-Y301 AromaticContact CD1-CD2 3.95Å; Y288-Y301 HydrophobicContact CD1-CD2 3.95Å; Y288-Y301 AromaticContact CD1-CE2 3.89Å; Y288-Y301 HydrophobicContact CD1-CE2 3.89Å; Y288-Y301 HydrophobicContact CG-CD2 4.49Å; Y288-Y301 PolarHBondContact O-N 2.92Å; P299-Y301 HydrophobicContact CB-CE2 3.85Å; Y301-V306 HydrophobicContact CD1-CG1 3.83Å; Y301-V306 HydrophobicContact CG-CG1 3.94Å
302	E	92.8	Very high	91	Very high	62 Å²	62	35.2 Å²	35.2	29%	0.29	17%	0.172	S	C	.	.			trans	-89.6	132.3	172.5	-62.9	-139.1	126.1	0	0	111.3	N256 T304 Q305 V306	N256-E302 PolarHBondContact ND2-OE1 3.49Å; N256-E302 PolarHBondContact ND2-OE2 3.31Å; E302-T304 PolarHBondContact O-N 3.01Å; E302-Q305 HydrophobicContact CB-CB 4.26Å; E302-Q305 HydrophobicContact CB-CG 4.1Å; E302-Q305 PolarHBondContact O-N 3.25Å; E302-V306 PolarHBondContact O-N 3.12Å
303	T	94.1	Very high	90.9	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.025	19%	0.19	C	C	.	.	H	α-helix	trans	-51.8	-40.8	178.2	-50	0	0	0	0	111.7	I255 N256 Q305 F307 L311	I255-T303 HydrophobicContact CG2-CG2 3.83Å; N256-T303 WeakPolarHBondContact OD1-CB 3.37Å; N256-T303 PolarHBondContact OD1-N 2.98Å; T303-Q305 VanDerWaalsContact C-N 3.25Å; T303-Q305 PolarHBondContact O-N 3.41Å; T303-F307 HydrophobicContact CG2-CD2 3.94Å; T303-F307 HydrophobicContact CG2-CE2 4.44Å; T303-F307 PolarHBondContact O-N 3Å; T303-L311 HydrophobicContact CG2-CD2 4.28Å
304	T	93.9	Very high	90.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-69.7	-18	-179.5	53.3	0	0	0	0	114.6	S220 I221 E222 L252 I255 N256 E302	S220-T304 WeakPolarHBondContact CB-O 3.31Å; I221-T304 HydrophobicContact CG2-CG2 4.1Å; I221-T304 PolarHBondContact N-O 3.44Å; E222-T304 WeakPolarHBondContact CB-O 3.48Å; E222-T304 PolarHBondContact N-O 2.95Å; L252-T304 HydrophobicContact CB-CG2 4.07Å; L252-T304 HydrophobicContact CD2-CG2 3.57Å; L252-T304 HydrophobicContact CG-CG2 4.45Å; L252-T304 WeakPolarHBondContact O-CG2 3.27Å; I255-T304 HydrophobicContact CB-CG2 3.74Å; I255-T304 HydrophobicContact CD1-CG2 4.28Å; I255-T304 HydrophobicContact CG2-CG2 3.64Å; N256-T304 PolarHBondContact ND2-OG1 2.96Å; N256-T304 WeakPolarHBondContact OD1-CG2 3.45Å; N256-T304 PolarHBondContact OD1-N 3.27Å; N256-T304 PolarHBondContact OD1-OG1 3.43Å; E302-T304 PolarHBondContact O-N 3.01Å
305	Q	93.1	Very high	91	Very high	88 Å²	88	38.2 Å²	38.2	41%	0.411	18%	0.184	S	C	.	.	H	α-helix	trans	-98.3	-33.2	-176.3	-70.4	174.7	-5.5	0	0	112.6	S220 E222 E302 T303	S220-Q305 WeakPolarHBondContact CB-O 3.21Å; E222-Q305 WeakPolarHBondContact OE2-CG 3.1Å; E222-Q305 PolarHBondContact OE2-NE2 3Å; E302-Q305 HydrophobicContact CB-CB 4.26Å; E302-Q305 HydrophobicContact CB-CG 4.1Å; E302-Q305 PolarHBondContact O-N 3.25Å; T303-Q305 VanDerWaalsContact C-N 3.25Å; T303-Q305 PolarHBondContact O-N 3.41Å
306	V	92.8	Very high	91.2	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.03	18%	0.184	C	C	.	.	H	α-helix	trans	-98.6	-18.4	-174.9	-56.4	0	0	0	0	114.6	P214 F216 Y301 E302	P214-V306 HydrophobicContact CB-CB 3.78Å; P214-V306 HydrophobicContact CB-CG1 3.49Å; P214-V306 VanDerWaalsContact CB-CG1 3.49Å; F216-V306 HydrophobicContact CD2-CB 4.03Å; F216-V306 HydrophobicContact CD2-CG2 3.99Å; F216-V306 VanDerWaalsContact CD2-O 3.23Å; F216-V306 WeakPolarHBondContact CD2-O 3.32Å; F216-V306 HydrophobicContact CE2-CB 3.92Å; F216-V306 HydrophobicContact CE2-CG2 3.61Å; F216-V306 PolarHBondContact N-O 3Å; Y301-V306 HydrophobicContact CD1-CG1 3.83Å; Y301-V306 HydrophobicContact CG-CG1 3.94Å; E302-V306 PolarHBondContact O-N 3.12Å
307	F	94.3	Very high	91.2	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	18%	0.182	C	C	.	.			trans	-109	158.3	171.3	-63.2	-81.2	0	0	0	111	F216 S220 I221 N281 R284 W285 T303 L311	F216-F307 AromaticContact CD2-CD1 3.74Å; F216-F307 HydrophobicContact CD2-CD1 3.74Å; F216-F307 HydrophobicContact CD2-CD2 4.39Å; F216-F307 AromaticContact CD2-CE1 3.49Å; F216-F307 HydrophobicContact CD2-CE1 3.49Å; F216-F307 VanDerWaalsContact CD2-CE1 3.49Å; F216-F307 HydrophobicContact CD2-CE2 4.18Å; F216-F307 HydrophobicContact CD2-CG 4.2Å; F216-F307 AromaticContact CD2-CZ 3.74Å; F216-F307 HydrophobicContact CD2-CZ 3.74Å; F216-F307 HydrophobicContact CE2-CD1 4.47Å; F216-F307 AromaticContact CE2-CE1 3.92Å; F216-F307 HydrophobicContact CE2-CE1 3.92Å; F216-F307 AromaticContact CE2-CE2 4Å; F216-F307 HydrophobicContact CE2-CE2 4Å; F216-F307 AromaticContact CE2-CZ 3.66Å; F216-F307 HydrophobicContact CE2-CZ 3.66Å; F216-F307 HydrophobicContact CG-CE1 4.39Å; S220-F307 CarbonylContact C-O 3.53Å; S220-F307 WeakPolarHBondContact CA-O 3.12Å; I221-F307 HydrophobicContact CD1-CB 4.07Å; I221-F307 WeakPolarHBondContact CG1-O 3.25Å; I221-F307 PolarHBondContact N-O 3.42Å; N281-F307 HydrophobicContact CB-CE1 4.07Å; R284-F307 HydrophobicContact CB-CE1 4.02Å; R284-F307 HydrophobicContact CB-CZ 3.68Å; W285-F307 HydrophobicContact CB-CE2 3.99Å; W285-F307 HydrophobicContact CB-CZ 3.96Å; T303-F307 HydrophobicContact CG2-CD2 3.94Å; T303-F307 HydrophobicContact CG2-CE2 4.44Å; T303-F307 PolarHBondContact O-N 3Å; F307-L311 HydrophobicContact CB-CB 3.98Å; F307-L311 HydrophobicContact CB-CD2 3.76Å; F307-L311 HydrophobicContact CB-CG 4.48Å; F307-L311 HydrophobicContact CD1-CB 3.98Å; F307-L311 HydrophobicContact CD1-CD2 3.65Å; F307-L311 HydrophobicContact CD1-CG 4.41Å; F307-L311 HydrophobicContact CD2-CD2 3.55Å; F307-L311 HydrophobicContact CE1-CD2 4.05Å; F307-L311 HydrophobicContact CE2-CD2 3.97Å; F307-L311 HydrophobicContact CG-CB 4.15Å; F307-L311 HydrophobicContact CG-CD2 3.37Å; F307-L311 HydrophobicContact CG-CG 4.39Å; F307-L311 HydrophobicContact CZ-CD2 4.19Å
308	G	92.8	Very high	91.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-126.2	-142.5	178.8	0	0	0	0	0	112.2	E217 P219 I221 T310 L312	E217-G308 VanDerWaalsContact CD-C 3.49Å; E217-G308 WeakPolarHBondContact OE2-CA 3.26Å; E217-G308 PolarHBondContact OE2-N 2.99Å; P219-G308 WeakPolarHBondContact O-CA 3.43Å; I221-G308 VanDerWaalsContact CG1-O 3.26Å; I221-G308 WeakPolarHBondContact CG1-O 3.44Å; G308-T310 VanDerWaalsContact C-N 3.3Å; G308-T310 PolarHBondContact O-N 3.25Å; G308-L312 PolarHBondContact O-N 3.29Å
309	R	93.2	Very high	91.1	Very high	39 Å²	39	36.5 Å²	36.5	15%	0.147	18%	0.177	C	C	.	.	H	α-helix	trans	-56.5	-39.2	-173.9	-167.3	-178.7	-177	176.5	-1.7	113.7	E217 L312 R313 V357 S359 Q360 W365	E217-R309 VanDerWaalsContact CD-N 3.32Å; E217-R309 PolarHBondContact OE1-N 3.2Å; E217-R309 PolarHBondContact OE2-N 3.21Å; R309-L312 PolarHBondContact O-N 2.94Å; R309-R313 HydrophobicContact CG-CG 4.27Å; R309-R313 WeakPolarHBondContact O-CB 3.42Å; R309-R313 WeakPolarHBondContact O-CG 3.5Å; R309-R313 PolarHBondContact O-N 2.87Å; R309-V357 PolarHBondContact NE-O 3Å; R309-V357 VanDerWaalsContact NE-O 3.09Å; R309-V357 PolarHBondContact NH2-O 2.91Å; R309-S359 PolarHBondContact NH2-O 2.93Å; R309-Q360 PolarHBondContact NH1-O 2.98Å; R309-W365 HydrophobicContact CB-CD2 3.75Å; R309-W365 HydrophobicContact CB-CE3 3.63Å; R309-W365 HydrophobicContact CB-CG 4.28Å; R309-W365 HydrophobicContact CB-CZ3 4.03Å; R309-W365 HydrophobicContact CG-CD2 3.7Å; R309-W365 HydrophobicContact CG-CE3 4.11Å; R309-W365 HydrophobicContact CG-CG 4.01Å; R309-W365 HydrophobicContact CG-CZ2 4.28Å
310	T	90.9	Very high	91.1	Very high	78 Å²	78	37 Å²	37	48%	0.479	17%	0.171	S	C	.	.	H	α-helix	trans	-67.9	-51.4	-169.4	-59.5	0	0	0	0	111.1	E217 G308 L312 R313 S314	E217-T310 VanDerWaalsContact CD-N 3.33Å; E217-T310 VanDerWaalsContact OE1-CB 3.23Å; E217-T310 WeakPolarHBondContact OE1-CB 3.29Å; E217-T310 PolarHBondContact OE1-N 3.43Å; E217-T310 PolarHBondContact OE1-OG1 3.11Å; E217-T310 WeakPolarHBondContact OE2-CB 3.39Å; E217-T310 PolarHBondContact OE2-N 2.94Å; G308-T310 VanDerWaalsContact C-N 3.3Å; G308-T310 PolarHBondContact O-N 3.25Å; T310-L312 VanDerWaalsContact C-N 3.29Å; T310-L312 PolarHBondContact O-N 3.18Å; T310-R313 PolarHBondContact O-N 3.48Å; T310-S314 PolarHBondContact O-N 2.81Å; T310-S314 PolarHBondContact O-OG 3.27Å
311	L	90.6	Very high	91	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-41.2	173.7	177.8	61.3	0	0	0	111	L260 Y278 N281 T303 F307 R313 S314 V315	L260-L311 HydrophobicContact CD2-CD1 4.09Å; Y278-L311 HydrophobicContact CE2-CD1 4.35Å; N281-L311 HydrophobicContact CB-CD1 4.32Å; T303-L311 HydrophobicContact CG2-CD2 4.28Å; F307-L311 HydrophobicContact CB-CB 3.98Å; F307-L311 HydrophobicContact CB-CD2 3.76Å; F307-L311 HydrophobicContact CB-CG 4.48Å; F307-L311 HydrophobicContact CD1-CB 3.98Å; F307-L311 HydrophobicContact CD1-CD2 3.65Å; F307-L311 HydrophobicContact CD1-CG 4.41Å; F307-L311 HydrophobicContact CD2-CD2 3.55Å; F307-L311 HydrophobicContact CE1-CD2 4.05Å; F307-L311 HydrophobicContact CE2-CD2 3.97Å; F307-L311 HydrophobicContact CG-CB 4.15Å; F307-L311 HydrophobicContact CG-CD2 3.37Å; F307-L311 HydrophobicContact CG-CG 4.39Å; F307-L311 HydrophobicContact CZ-CD2 4.19Å; L311-R313 PolarHBondContact O-N 3.16Å; L311-S314 WeakPolarHBondContact O-CB 3.44Å; L311-S314 PolarHBondContact O-N 3.42Å; L311-S314 VanDerWaalsContact O-N 3.09Å; L311-V315 HydrophobicContact CD1-CG1 3.93Å; L311-V315 WeakPolarHBondContact O-CG2 3.49Å; L311-V315 PolarHBondContact O-N 3.39Å
312	L	92.1	Very high	90.8	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-47.8	-178.5	-168	61.3	0	0	0	111.2	I221 I255 G308 R309 T310 S314 V315 F316 M319 V357 W365	I221-L312 HydrophobicContact CD1-CB 4.11Å; I221-L312 HydrophobicContact CD1-CD1 4.34Å; I221-L312 HydrophobicContact CG1-CB 4.08Å; I221-L312 HydrophobicContact CG1-CD2 4.3Å; I221-L312 HydrophobicContact CG2-CD1 4.43Å; I221-L312 HydrophobicContact CG2-CD2 4.22Å; I255-L312 HydrophobicContact CD1-CD1 4.21Å; G308-L312 PolarHBondContact O-N 3.29Å; R309-L312 PolarHBondContact O-N 2.94Å; T310-L312 VanDerWaalsContact C-N 3.29Å; T310-L312 PolarHBondContact O-N 3.18Å; L312-S314 PolarHBondContact O-N 3.22Å; L312-V315 PolarHBondContact O-N 3.1Å; L312-F316 HydrophobicContact CD1-CD2 3.91Å; L312-F316 HydrophobicContact CG-CD2 4.04Å; L312-F316 VanDerWaalsContact O-CB 3.28Å; L312-F316 WeakPolarHBondContact O-CB 3.49Å; L312-F316 PolarHBondContact O-N 3.05Å; L312-M319 HydrophobicContact CD1-CE 3.86Å; L312-V357 HydrophobicContact CD2-CG2 3.61Å; L312-V357 HydrophobicContact CG-CG1 4.42Å; L312-V357 HydrophobicContact CG-CG2 4.09Å; L312-W365 HydrophobicContact CD2-CH2 3.66Å; L312-W365 HydrophobicContact CD2-CZ2 4.03Å
313	R	90.9	Very high	90.4	Very high	112 Å²	112	37.4 Å²	37.4	42%	0.423	17%	0.174	S	C	.	.	H	α-helix	trans	-55.7	-37	173	-77.2	180	67.8	-179.8	0.8	112.6	R309 T310 L311 V315 V357 Y358	R309-R313 HydrophobicContact CG-CG 4.27Å; R309-R313 WeakPolarHBondContact O-CB 3.42Å; R309-R313 WeakPolarHBondContact O-CG 3.5Å; R309-R313 PolarHBondContact O-N 2.87Å; T310-R313 PolarHBondContact O-N 3.48Å; L311-R313 PolarHBondContact O-N 3.16Å; R313-V315 VanDerWaalsContact C-N 3.33Å; R313-V315 PolarHBondContact O-N 3.4Å; R313-V357 HydrophobicContact CB-CG1 4.36Å; R313-V357 WeakPolarHBondContact CD-O 3.27Å; R313-V357 HydrophobicContact CG-CG1 3.6Å; R313-V357 WeakPolarHBondContact CG-O 3.42Å; R313-Y358 HydrophobicContact CB-CD1 4.4Å; R313-Y358 HydrophobicContact CB-CE1 3.93Å; R313-Y358 HydrophobicContact CG-CD1 4.06Å; R313-Y358 HydrophobicContact CG-CE1 4.06Å; R313-Y358 WeakPolarHBondContact O-CE1 3.47Å; R313-Y358 PolarHBondContact O-OH 3.45Å
314	S	87.8	Confident	90	Very high	26 Å²	26	39 Å²	39	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-67.3	-29.4	176.5	-55.4	0	0	0	0	113.4	R266 T310 L311 L312	R266-S314 VanDerWaalsContact CZ-O 3.25Å; R266-S314 PolarHBondContact NH1-O 2.98Å; R266-S314 PolarHBondContact NH2-O 2.87Å; T310-S314 PolarHBondContact O-N 2.81Å; T310-S314 PolarHBondContact O-OG 3.27Å; L311-S314 WeakPolarHBondContact O-CB 3.44Å; L311-S314 PolarHBondContact O-N 3.42Å; L311-S314 VanDerWaalsContact O-N 3.09Å; L312-S314 PolarHBondContact O-N 3.22Å
315	V	89.4	Confident	89.7	Confident	9 Å²	9	42.8 Å²	42.8	6%	0.055	20%	0.2	C	C	.	.	H	α-helix	trans	-115.5	-15.8	-169.5	-54.7	0	0	0	0	115.5	W258 L260 Y278 L311 L312 R313 T317 V318 M319	W258-V315 HydrophobicContact CH2-CB 3.76Å; W258-V315 HydrophobicContact CH2-CG1 4.11Å; W258-V315 HydrophobicContact CH2-CG2 4.48Å; W258-V315 HydrophobicContact CZ3-CB 3.55Å; W258-V315 HydrophobicContact CZ3-CG1 3.81Å; W258-V315 HydrophobicContact CZ3-CG2 3.86Å; L260-V315 HydrophobicContact CG-CG1 4.44Å; Y278-V315 HydrophobicContact CE2-CG1 3.89Å; L311-V315 HydrophobicContact CD1-CG1 3.93Å; L311-V315 WeakPolarHBondContact O-CG2 3.49Å; L311-V315 PolarHBondContact O-N 3.39Å; L312-V315 PolarHBondContact O-N 3.1Å; R313-V315 VanDerWaalsContact C-N 3.33Å; R313-V315 PolarHBondContact O-N 3.4Å; V315-T317 PolarHBondContact O-N 3.43Å; V315-V318 PolarHBondContact O-N 3.34Å; V315-M319 WeakPolarHBondContact O-CB 3.45Å; V315-M319 PolarHBondContact O-N 3.47Å
316	F	90.7	Very high	89.1	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-46.2	-166.3	-166.2	-85.9	0	0	0	114.1	F251 L312 V318 M319 R320 L350 L353 E354 V357 Y358	F251-F316 HydrophobicContact CE2-CE2 4.13Å; F251-F316 HydrophobicContact CZ-CD2 4.22Å; F251-F316 AromaticContact CZ-CE2 3.64Å; F251-F316 HydrophobicContact CZ-CE2 3.64Å; L312-F316 HydrophobicContact CD1-CD2 3.91Å; L312-F316 HydrophobicContact CG-CD2 4.04Å; L312-F316 VanDerWaalsContact O-CB 3.28Å; L312-F316 WeakPolarHBondContact O-CB 3.49Å; L312-F316 PolarHBondContact O-N 3.05Å; F316-V318 PolarHBondContact O-N 2.88Å; F316-M319 HydrophobicContact CD2-CE 3.95Å; F316-M319 HydrophobicContact CE2-CE 4.46Å; F316-M319 PolarHBondContact O-N 3.05Å; F316-R320 HydrophobicContact CD1-CB 4.31Å; F316-R320 HydrophobicContact CE1-CB 4.18Å; F316-R320 WeakPolarHBondContact O-CB 3.26Å; F316-R320 PolarHBondContact O-N 2.86Å; F316-L350 WeakPolarHBondContact CE1-O 3.41Å; F316-L350 HydrophobicContact CZ-CD2 4.3Å; F316-L350 WeakPolarHBondContact CZ-O 3.35Å; F316-L353 HydrophobicContact CE2-CB 4.36Å; F316-L353 HydrophobicContact CE2-CD2 3.8Å; F316-L353 HydrophobicContact CE2-CG 3.76Å; F316-L353 HydrophobicContact CZ-CB 4.03Å; F316-L353 HydrophobicContact CZ-CD2 4.19Å; F316-L353 HydrophobicContact CZ-CG 3.95Å; F316-E354 HydrophobicContact CD1-CB 4.08Å; F316-E354 HydrophobicContact CD1-CG 3.7Å; F316-E354 HydrophobicContact CE1-CB 3.52Å; F316-E354 HydrophobicContact CE1-CG 3.66Å; F316-E354 HydrophobicContact CZ-CB 4.28Å; F316-V357 HydrophobicContact CB-CG1 4.33Å; F316-V357 HydrophobicContact CD2-CG2 4.08Å; F316-V357 HydrophobicContact CE2-CG2 4.22Å; F316-V357 HydrophobicContact CG-CG1 4.47Å; F316-Y358 HydrophobicContact CB-CE2 4.31Å; F316-Y358 HydrophobicContact CD1-CE2 4.5Å
317	T	87.6	Confident	88.5	Confident	70 Å²	70	42 Å²	42	43%	0.429	20%	0.198	S	C	.	.	H	α-helix	trans	-62.7	-40.2	-178.3	50.5	0	0	0	0	113.2	V315 R321 E354 Y358	V315-T317 PolarHBondContact O-N 3.43Å; T317-R321 PolarHBondContact O-N 2.81Å; T317-E354 WeakPolarHBondContact CG2-OE1 3.27Å; T317-Y358 HydrophobicContact CG2-CE2 4.12Å
318	V	88	Confident	87.9	Confident	13 Å²	13	49.3 Å²	49.3	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-70.3	-48.5	176.6	176.4	0	0	0	0	110	W258 E261 V315 F316 R321 Q322	W258-V318 HydrophobicContact CZ2-CG1 4.28Å; E261-V318 HydrophobicContact CG-CG1 4.36Å; V315-V318 PolarHBondContact O-N 3.34Å; F316-V318 PolarHBondContact O-N 2.88Å; V318-R321 WeakPolarHBondContact O-CB 3.46Å; V318-R321 PolarHBondContact O-N 3.08Å; V318-Q322 WeakPolarHBondContact O-CG 3.24Å; V318-Q322 PolarHBondContact O-N 3.34Å
319	M	88.4	Confident	87.4	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-59.5	-48.5	178	177.1	-179.7	57.3	0	0	111.8	F251 I255 W258 L312 V315 F316 R321 Q322 L323	F251-M319 HydrophobicContact CE2-CE 3.64Å; F251-M319 HydrophobicContact CE2-SD 4.31Å; F251-M319 HydrophobicContact CZ-CE 3.62Å; I255-M319 HydrophobicContact CD1-CE 4.1Å; I255-M319 HydrophobicContact CD1-SD 4.13Å; I255-M319 HydrophobicContact CG1-CE 4.1Å; I255-M319 HydrophobicContact CG1-SD 3.45Å; I255-M319 WeakPolarHBondContact CG1-SD 3.43Å; W258-M319 HydrophobicContact CZ2-CB 4.33Å; L312-M319 HydrophobicContact CD1-CE 3.86Å; V315-M319 WeakPolarHBondContact O-CB 3.45Å; V315-M319 PolarHBondContact O-N 3.47Å; F316-M319 HydrophobicContact CD2-CE 3.95Å; F316-M319 HydrophobicContact CE2-CE 4.46Å; F316-M319 PolarHBondContact O-N 3.05Å; M319-R321 VanDerWaalsContact C-N 3.28Å; M319-R321 PolarHBondContact O-N 2.54Å; M319-Q322 PolarHBondContact O-N 2.9Å; M319-Q322 VanDerWaalsContact O-N 3.07Å; M319-L323 HydrophobicContact CG-CD1 3.64Å; M319-L323 HydrophobicContact CG-CG 3.96Å; M319-L323 WeakPolarHBondContact O-CB 3.41Å; M319-L323 WeakPolarHBondContact O-CG 3.46Å; M319-L323 PolarHBondContact O-N 3.02Å; M319-L323 HydrophobicContact SD-CD1 4.2Å
320	R	88.9	Confident	86.6	Confident	64 Å²	64	55.8 Å²	55.8	24%	0.242	26%	0.257	C	S	.	.	H	α-helix	trans	-54.6	-43.5	176.6	174.7	168.9	177.6	-109	4.3	111.4	F316 L324 L350 S351 E354	F316-R320 HydrophobicContact CD1-CB 4.31Å; F316-R320 HydrophobicContact CE1-CB 4.18Å; F316-R320 WeakPolarHBondContact O-CB 3.26Å; F316-R320 PolarHBondContact O-N 2.86Å; R320-L324 HydrophobicContact CG-CD1 3.98Å; R320-L324 WeakPolarHBondContact O-CB 3.31Å; R320-L324 VanDerWaalsContact O-CG 3.25Å; R320-L324 WeakPolarHBondContact O-CG 3.39Å; R320-L324 PolarHBondContact O-N 3Å; R320-L324 VanDerWaalsContact O-N 3.08Å; R320-L350 HydrophobicContact CG-CB 4.18Å; R320-L350 HydrophobicContact CG-CD1 4.3Å; R320-S351 PolarHBondContact NH2-OG 3.04Å; R320-E354 VanDerWaalsContact CD-OE2 3.25Å; R320-E354 WeakPolarHBondContact CD-OE2 3.26Å; R320-E354 IonicContact CZ-OE2 3.68Å; R320-E354 IonicContact NE-OE2 2.73Å; R320-E354 PolarHBondContact NE-OE2 3.11Å; R320-E354 IonicContact NH1-OE1 2.64Å; R320-E354 IonicContact NH1-OE2 3.08Å; R320-E354 PolarHBondContact NH1-OE2 3.44Å; R320-E354 IonicContact NH2-OE2 3.24Å
321	R	87.4	Confident	86	Confident	174 Å²	174	55.8 Å²	55.8	66%	0.657	25%	0.25	S	S	*	.	H	α-helix	trans	-62.5	-46.3	175.3	-170.2	-175.7	-61.5	-148.9	0.1	111.9	T317 V318 M319 E325	T317-R321 PolarHBondContact O-N 2.81Å; V318-R321 WeakPolarHBondContact O-CB 3.46Å; V318-R321 PolarHBondContact O-N 3.08Å; M319-R321 VanDerWaalsContact C-N 3.28Å; M319-R321 PolarHBondContact O-N 2.54Å; R321-E325 WeakPolarHBondContact O-CB 3.41Å; R321-E325 PolarHBondContact O-N 3.18Å; R321-E325 VanDerWaalsContact O-N 3.15Å
322	Q	86.4	Confident	85.3	Confident	85 Å²	85	60.7 Å²	60.7	40%	0.397	28%	0.277	S	S	.	.	H	α-helix	trans	-68	-42.4	-179.8	-68.5	-177.8	14	0	0	112.5	V318 M319 E325 Q326	V318-Q322 WeakPolarHBondContact O-CG 3.24Å; V318-Q322 PolarHBondContact O-N 3.34Å; M319-Q322 PolarHBondContact O-N 2.9Å; M319-Q322 VanDerWaalsContact O-N 3.07Å; Q322-E325 PolarHBondContact O-N 3.25Å; Q322-Q326 WeakPolarHBondContact O-CB 3.31Å; Q322-Q326 PolarHBondContact O-N 3.06Å
323	L	85.3	Confident	84.6	Confident	9 Å²	9	67.5 Å²	67.5	5%	0.047	31%	0.306	C	S	.	.	H	α-helix	trans	-64.4	-42	178.2	-69.2	177.2	0	0	0	112.3	F251 R254 M319 E325 A327 F346	F251-L323 HydrophobicContact CD2-CD1 3.98Å; F251-L323 HydrophobicContact CE2-CD1 4.13Å; R254-L323 HydrophobicContact CB-CD2 3.79Å; R254-L323 HydrophobicContact CG-CD2 3.92Å; M319-L323 HydrophobicContact CG-CD1 3.64Å; M319-L323 HydrophobicContact CG-CG 3.96Å; M319-L323 WeakPolarHBondContact O-CB 3.41Å; M319-L323 WeakPolarHBondContact O-CG 3.46Å; M319-L323 PolarHBondContact O-N 3.02Å; M319-L323 HydrophobicContact SD-CD1 4.2Å; L323-E325 VanDerWaalsContact C-N 3.32Å; L323-A327 VanDerWaalsContact O-CB 3.23Å; L323-A327 WeakPolarHBondContact O-CB 3.3Å; L323-A327 PolarHBondContact O-N 2.64Å; L323-F346 HydrophobicContact CB-CE1 4.38Å; L323-F346 HydrophobicContact CD1-CZ 4.45Å
324	L	86.1	Confident	83.7	Confident	38 Å²	38	64.5 Å²	64.5	20%	0.199	30%	0.299	C	S	.	.	H	α-helix	trans	-67	-34.2	176.1	-72	172.4	0	0	0	112.1	R320 R328 P347 L350	R320-L324 HydrophobicContact CG-CD1 3.98Å; R320-L324 WeakPolarHBondContact O-CB 3.31Å; R320-L324 VanDerWaalsContact O-CG 3.25Å; R320-L324 WeakPolarHBondContact O-CG 3.39Å; R320-L324 PolarHBondContact O-N 3Å; R320-L324 VanDerWaalsContact O-N 3.08Å; L324-R328 WeakPolarHBondContact O-CD 3.37Å; L324-R328 VanDerWaalsContact O-CG 3.24Å; L324-R328 WeakPolarHBondContact O-CG 3.42Å; L324-R328 PolarHBondContact O-N 3.38Å; L324-R328 VanDerWaalsContact O-N 3.16Å; L324-P347 HydrophobicContact CD2-CB 4.02Å; L324-P347 HydrophobicContact CD2-CG 3.89Å; L324-L350 HydrophobicContact CD2-CD1 3.96Å; L324-L350 HydrophobicContact CG-CD1 3.99Å
325	E	86.4	Confident	83.3	Confident	80 Å²	80	67.1 Å²	67.1	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-74.8	-42.5	176.4	-172.2	51.7	-147.6	0	0	112	R321 Q322 L323 A327 R328 Q329	R321-E325 WeakPolarHBondContact O-CB 3.41Å; R321-E325 PolarHBondContact O-N 3.18Å; R321-E325 VanDerWaalsContact O-N 3.15Å; Q322-E325 PolarHBondContact O-N 3.25Å; L323-E325 VanDerWaalsContact C-N 3.32Å; E325-A327 VanDerWaalsContact C-N 3.34Å; E325-A327 PolarHBondContact O-N 3.07Å; E325-R328 WeakPolarHBondContact O-CB 3.48Å; E325-R328 PolarHBondContact O-N 3.06Å; E325-R328 VanDerWaalsContact O-N 3.15Å; E325-R328 IonicContact OE2-NH1 3.17Å; E325-R328 PolarHBondContact OE2-NH1 2.93Å; E325-Q329 WeakPolarHBondContact O-CG 3.41Å; E325-Q329 PolarHBondContact O-N 2.97Å; E325-Q329 PolarHBondContact OE1-NE2 3.06Å
326	Q	81.8	Confident	82.4	Confident	64 Å²	64	73.2 Å²	73.2	30%	0.299	35%	0.346	S	S	.	.	H	α-helix	trans	-59	-44.7	171.2	-174.5	-179.4	14.9	0	0	111.1	Q322 R328 Q329 E330	Q322-Q326 WeakPolarHBondContact O-CB 3.31Å; Q322-Q326 PolarHBondContact O-N 3.06Å; Q326-R328 VanDerWaalsContact C-N 3.26Å; Q326-R328 PolarHBondContact O-N 2.98Å; Q326-Q329 PolarHBondContact O-N 3.45Å; Q326-Q329 VanDerWaalsContact O-N 3.1Å; Q326-E330 HydrophobicContact CG-CG 4.13Å; Q326-E330 WeakPolarHBondContact CG-OE1 3.43Å; Q326-E330 PolarHBondContact NE2-OE1 3.41Å; Q326-E330 PolarHBondContact NE2-OE2 3.47Å; Q326-E330 WeakPolarHBondContact O-CB 3.41Å; Q326-E330 PolarHBondContact O-N 3.37Å
327	A	79.8	Confident	81.3	Confident	12 Å²	12	81 Å²	81	10%	0.099	38%	0.383	C	S	.	.	H	α-helix	trans	-61.3	-32	176.9	0	0	0	0	0	113.2	L323 E325 K331 I342	L323-A327 VanDerWaalsContact O-CB 3.23Å; L323-A327 WeakPolarHBondContact O-CB 3.3Å; L323-A327 PolarHBondContact O-N 2.64Å; E325-A327 VanDerWaalsContact C-N 3.34Å; E325-A327 PolarHBondContact O-N 3.07Å; A327-K331 WeakPolarHBondContact O-CB 3.4Å; A327-K331 PolarHBondContact O-N 3.47Å; A327-I342 HydrophobicContact CB-CG2 3.81Å
328	R	80.8	Confident	80.5	Confident	154 Å²	154	83.1 Å²	83.1	58%	0.581	39%	0.386	S	S	*	.	H	α-helix	trans	-72.6	-35.1	173.1	-73.9	163.2	173.6	-175.3	-2.7	112.9	L324 E325 Q326 K331	L324-R328 WeakPolarHBondContact O-CD 3.37Å; L324-R328 VanDerWaalsContact O-CG 3.24Å; L324-R328 WeakPolarHBondContact O-CG 3.42Å; L324-R328 PolarHBondContact O-N 3.38Å; L324-R328 VanDerWaalsContact O-N 3.16Å; E325-R328 WeakPolarHBondContact O-CB 3.48Å; E325-R328 PolarHBondContact O-N 3.06Å; E325-R328 VanDerWaalsContact O-N 3.15Å; E325-R328 IonicContact OE2-NH1 3.17Å; E325-R328 PolarHBondContact OE2-NH1 2.93Å; Q326-R328 VanDerWaalsContact C-N 3.26Å; Q326-R328 PolarHBondContact O-N 2.98Å; R328-K331 VanDerWaalsContact O-CD 3.25Å; R328-K331 WeakPolarHBondContact O-CD 3.5Å; R328-K331 VanDerWaalsContact O-CG 3.3Å; R328-K331 WeakPolarHBondContact O-CG 3.46Å
329	Q	82.2	Confident	79.9	Confident	133 Å²	133	85.8 Å²	85.8	62%	0.621	40%	0.395	S	S	*	.	H	α-helix	trans	-79	-35.9	179.3	-66.9	175.4	18	0	0	112.2	E325 Q326	E325-Q329 WeakPolarHBondContact O-CG 3.41Å; E325-Q329 PolarHBondContact O-N 2.97Å; E325-Q329 PolarHBondContact OE1-NE2 3.06Å; Q326-Q329 PolarHBondContact O-N 3.45Å; Q326-Q329 VanDerWaalsContact O-N 3.1Å
330	E	78.1	Confident	79.1	Confident	42 Å²	42	89.3 Å²	89.3	20%	0.196	42%	0.417	C	S	.	.	H	α-helix	trans	-86.2	-5.4	178.8	-67.5	179.6	176.2	0	0	113.6	R254 Q326 D332 K333 L334	R254-E330 IonicContact NH2-OE2 2.68Å; R254-E330 PolarHBondContact NH2-OE2 3.06Å; Q326-E330 HydrophobicContact CG-CG 4.13Å; Q326-E330 WeakPolarHBondContact CG-OE1 3.43Å; Q326-E330 PolarHBondContact NE2-OE1 3.41Å; Q326-E330 PolarHBondContact NE2-OE2 3.47Å; Q326-E330 WeakPolarHBondContact O-CB 3.41Å; Q326-E330 PolarHBondContact O-N 3.37Å; E330-D332 PolarHBondContact O-N 2.55Å; E330-K333 PolarHBondContact O-N 2.98Å; E330-L334 PolarHBondContact O-N 3.27Å
331	K	77	Confident	78.3	Confident	78 Å²	78	87.7 Å²	87.7	34%	0.339	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-33.2	-177.1	77.8	-174.5	178.3	-170.6	0	114.4	A327 R328 R339	A327-K331 WeakPolarHBondContact O-CB 3.4Å; A327-K331 PolarHBondContact O-N 3.47Å; R328-K331 VanDerWaalsContact O-CD 3.25Å; R328-K331 WeakPolarHBondContact O-CD 3.5Å; R328-K331 VanDerWaalsContact O-CG 3.3Å; R328-K331 WeakPolarHBondContact O-CG 3.46Å; K331-R339 VanDerWaalsContact O-CD 3.31Å; K331-R339 WeakPolarHBondContact O-CD 3.47Å; K331-R339 PolarHBondContact O-NE 2.83Å; K331-R339 PolarHBondContact O-NH1 3.02Å
332	D	75.5	Confident	77.7	Confident	107 Å²	107	80.3 Å²	80.3	57%	0.572	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-6.2	-176.6	-63.5	-58.7	0	0	0	113.5	E330 R339	E330-D332 PolarHBondContact O-N 2.55Å; D332-R339 IonicContact OD1-CZ 3.44Å; D332-R339 IonicContact OD1-NH1 2.77Å; D332-R339 PolarHBondContact OD1-NH1 3.15Å; D332-R339 IonicContact OD1-NH2 2.69Å; D332-R339 PolarHBondContact OD1-NH2 2.75Å
333	K	79.1	Confident	77.1	Confident	144 Å²	144	80 Å²	80	63%	0.626	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-7.8	170.6	-62	-176.5	178	179.7	0	113.1	G62 E330	G62-K333 PolarHBondContact O-NZ 3.06Å; E330-K333 PolarHBondContact O-N 2.98Å
334	L	71.4	Confident	76.7	Confident	50 Å²	50	82.9 Å²	82.9	26%	0.262	41%	0.405	S	S	.	.	S	Bend	trans	-95.3	139.4	-174.3	-72.1	166.3	0	0	0	112	E330 R339 I342	E330-L334 PolarHBondContact O-N 3.27Å; L334-R339 HydrophobicContact CB-CB 4.22Å; L334-I342 HydrophobicContact CD1-CD1 3.89Å; L334-I342 HydrophobicContact CD2-CD1 4.46Å
335	P	78.4	Confident	76.5	Confident	80 Å²	80	85.5 Å²	85.5	52%	0.519	42%	0.415	S	S	.	.			trans	-54.2	144.4	170.4	-26.1	35	0	0	0	112.2	E337 K338 R339	P335-E337 VanDerWaalsContact C-N 3.25Å; P335-E337 PolarHBondContact O-N 3.08Å; P335-E337 VanDerWaalsContact O-N 3.11Å; P335-K338 PolarHBondContact O-N 3.21Å; P335-R339 WeakPolarHBondContact O-CB 3.3Å; P335-R339 PolarHBondContact O-N 3.21Å
336	L	70.4	Confident	76.4	Confident	137 Å²	137	81.9 Å²	81.9	72%	0.717	40%	0.399	S	S	*	.	H	α-helix	trans	-54.4	-37.2	-168.2	-174.1	62.4	0	0	0	114.3	T340	L336-T340 PolarHBondContact O-N 3.04Å; L336-T340 PolarHBondContact O-OG1 2.64Å
337	E	68.4	Low	76.8	Confident	164 Å²	164	80.9 Å²	80.9	77%	0.766	40%	0.398	S	S	*	.	H	α-helix	trans	-65.3	-52.9	177.7	-61.1	165.3	161.9	0	0	111	P335 R339 T340 L341	P335-E337 VanDerWaalsContact C-N 3.25Å; P335-E337 PolarHBondContact O-N 3.08Å; P335-E337 VanDerWaalsContact O-N 3.11Å; E337-R339 VanDerWaalsContact C-N 3.33Å; E337-R339 PolarHBondContact O-N 3.29Å; E337-T340 PolarHBondContact O-N 2.8Å; E337-L341 PolarHBondContact O-N 3.03Å; E337-L341 VanDerWaalsContact O-N 3.13Å
338	K	70.3	Confident	77.1	Confident	115 Å²	115	87.3 Å²	87.3	50%	0.5	42%	0.423	S	S	.	.	H	α-helix	trans	-65.9	-35.4	177.6	-66.4	-172.9	176	-176.1	0	111.9	P335 L341 I342	P335-K338 PolarHBondContact O-N 3.21Å; K338-L341 PolarHBondContact O-N 3.32Å; K338-I342 WeakPolarHBondContact O-CB 3.43Å; K338-I342 WeakPolarHBondContact O-CD1 3.29Å; K338-I342 VanDerWaalsContact O-CG1 3.25Å; K338-I342 WeakPolarHBondContact O-CG1 3.27Å; K338-I342 PolarHBondContact O-N 3.11Å
339	R	76.6	Confident	77.5	Confident	69 Å²	69	80 Å²	80	26%	0.26	40%	0.396	S	S	.	.	H	α-helix	trans	-60.4	-46.9	174.7	179.1	-174.8	-178.9	133.4	3.7	111.7	K331 D332 L334 P335 E337 L343	K331-R339 VanDerWaalsContact O-CD 3.31Å; K331-R339 WeakPolarHBondContact O-CD 3.47Å; K331-R339 PolarHBondContact O-NE 2.83Å; K331-R339 PolarHBondContact O-NH1 3.02Å; D332-R339 IonicContact OD1-CZ 3.44Å; D332-R339 IonicContact OD1-NH1 2.77Å; D332-R339 PolarHBondContact OD1-NH1 3.15Å; D332-R339 IonicContact OD1-NH2 2.69Å; D332-R339 PolarHBondContact OD1-NH2 2.75Å; L334-R339 HydrophobicContact CB-CB 4.22Å; P335-R339 WeakPolarHBondContact O-CB 3.3Å; P335-R339 PolarHBondContact O-N 3.21Å; E337-R339 VanDerWaalsContact C-N 3.33Å; E337-R339 PolarHBondContact O-N 3.29Å; R339-L343 HydrophobicContact CG-CD1 3.98Å; R339-L343 WeakPolarHBondContact O-CB 3.49Å; R339-L343 VanDerWaalsContact O-CG 3.28Å; R339-L343 WeakPolarHBondContact O-CG 3.45Å; R339-L343 PolarHBondContact O-N 3.43Å; R339-L343 VanDerWaalsContact O-N 3.13Å
340	T	71	Confident	78	Confident	77 Å²	77	73.7 Å²	73.7	47%	0.472	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-51.7	176.7	-57.6	0	0	0	0	110.2	L336 E337 I342 L343 T344	L336-T340 PolarHBondContact O-N 3.04Å; L336-T340 PolarHBondContact O-OG1 2.64Å; E337-T340 PolarHBondContact O-N 2.8Å; T340-I342 PolarHBondContact O-N 3.14Å; T340-L343 PolarHBondContact O-N 3.06Å; T340-T344 PolarHBondContact O-N 3.41Å; T340-T344 PolarHBondContact O-OG1 3.39Å
341	L	71.1	Confident	78.6	Confident	30 Å²	30	73.5 Å²	73.5	16%	0.157	37%	0.37	C	S	.	.	H	α-helix	trans	-53.7	-49.2	179.3	174.3	60	0	0	0	113.3	T243 L247 E337 K338 L343 H345 F346	T243-L341 HydrophobicContact CG2-CD1 3.23Å; T243-L341 HydrophobicContact CG2-CD2 3.7Å; T243-L341 HydrophobicContact CG2-CG 4.1Å; L247-L341 HydrophobicContact CD1-CD1 3.96Å; L247-L341 HydrophobicContact CD1-CG 4.4Å; L247-L341 HydrophobicContact CD2-CD2 4.33Å; L247-L341 HydrophobicContact CD2-CG 4.12Å; L247-L341 HydrophobicContact CG-CD1 4.33Å; L247-L341 HydrophobicContact CG-CD2 4.44Å; L247-L341 HydrophobicContact CG-CG 4.35Å; E337-L341 PolarHBondContact O-N 3.03Å; E337-L341 VanDerWaalsContact O-N 3.13Å; K338-L341 PolarHBondContact O-N 3.32Å; L341-L343 VanDerWaalsContact C-N 3.33Å; L341-L343 PolarHBondContact O-N 3.43Å; L341-H345 HydrophobicContact CD1-CB 3.93Å; L341-H345 PolarHBondContact O-N 2.79Å; L341-F346 PolarHBondContact O-N 2.93Å
342	I	75.1	Confident	79.3	Confident	18 Å²	18	72.7 Å²	72.7	9%	0.092	37%	0.368	C	S	.	.	H	α-helix	trans	-70.5	-28	-177.3	-69.8	166.1	0	0	0	111.8	L247 M250 A327 L334 K338 T340 F346	L247-I342 HydrophobicContact CD2-CG1 4.36Å; M250-I342 HydrophobicContact CE-CG1 4.22Å; M250-I342 HydrophobicContact SD-CD1 3.86Å; M250-I342 HydrophobicContact SD-CG1 4.17Å; A327-I342 HydrophobicContact CB-CG2 3.81Å; L334-I342 HydrophobicContact CD1-CD1 3.89Å; L334-I342 HydrophobicContact CD2-CD1 4.46Å; K338-I342 WeakPolarHBondContact O-CB 3.43Å; K338-I342 WeakPolarHBondContact O-CD1 3.29Å; K338-I342 VanDerWaalsContact O-CG1 3.25Å; K338-I342 WeakPolarHBondContact O-CG1 3.27Å; K338-I342 PolarHBondContact O-N 3.11Å; T340-I342 PolarHBondContact O-N 3.14Å; I342-F346 HydrophobicContact CG2-CD1 4.4Å; I342-F346 WeakPolarHBondContact O-CB 3.43Å
343	L	74.5	Confident	80.1	Confident	78 Å²	78	67.6 Å²	67.6	41%	0.408	34%	0.34	S	S	.	.	H	α-helix	trans	-84.2	-28.2	178.4	-69.4	173.2	0	0	0	113.7	R339 T340 L341	R339-L343 HydrophobicContact CG-CD1 3.98Å; R339-L343 WeakPolarHBondContact O-CB 3.49Å; R339-L343 VanDerWaalsContact O-CG 3.28Å; R339-L343 WeakPolarHBondContact O-CG 3.45Å; R339-L343 PolarHBondContact O-N 3.43Å; R339-L343 VanDerWaalsContact O-N 3.13Å; T340-L343 PolarHBondContact O-N 3.06Å; L341-L343 VanDerWaalsContact C-N 3.33Å; L341-L343 PolarHBondContact O-N 3.43Å
344	T	77.4	Confident	80.8	Confident	71 Å²	71	62.5 Å²	62.5	44%	0.436	32%	0.319	S	S	.	.	H	α-helix	trans	-104.6	-38.2	-175.3	59.4	0	0	0	0	114.8	T340	T340-T344 PolarHBondContact O-N 3.41Å; T340-T344 PolarHBondContact O-OG1 3.39Å
345	H	80.3	Confident	81.8	Confident	92 Å²	92	65.7 Å²	65.7	43%	0.426	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-39.8	-175.6	-61.8	-97.4	0	0	0	112.8	L247 L341 K348 F349	L247-H345 HydrophobicContact CD1-CB 3.89Å; L341-H345 HydrophobicContact CD1-CB 3.93Å; L341-H345 PolarHBondContact O-N 2.79Å; H345-K348 WeakPolarHBondContact O-CB 3.47Å; H345-K348 PolarHBondContact O-N 3.34Å; H345-F349 PolarHBondContact O-N 3.14Å
346	F	85.8	Confident	82.5	Confident	5 Å²	5	62.6 Å²	62.6	2%	0.022	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-37.5	-176.7	-168.6	-130	0	0	0	114.4	L247 M250 F251 L323 L341 I342 K348 F349 L350	L247-F346 HydrophobicContact CB-CD2 4.48Å; L247-F346 HydrophobicContact CD1-CB 4.45Å; L247-F346 HydrophobicContact CD2-CB 4.06Å; L247-F346 HydrophobicContact CD2-CD2 3.97Å; L247-F346 HydrophobicContact CD2-CG 4.28Å; M250-F346 HydrophobicContact CE-CD1 3.93Å; M250-F346 HydrophobicContact CE-CD2 3.67Å; M250-F346 HydrophobicContact CE-CE1 3.77Å; M250-F346 HydrophobicContact CE-CE2 3.51Å; M250-F346 HydrophobicContact CE-CG 3.88Å; M250-F346 HydrophobicContact CE-CZ 3.56Å; F251-F346 HydrophobicContact CB-CE2 4.3Å; L323-F346 HydrophobicContact CB-CE1 4.38Å; L323-F346 HydrophobicContact CD1-CZ 4.45Å; L341-F346 PolarHBondContact O-N 2.93Å; I342-F346 HydrophobicContact CG2-CD1 4.4Å; I342-F346 WeakPolarHBondContact O-CB 3.43Å; F346-K348 VanDerWaalsContact C-N 3.32Å; F346-K348 PolarHBondContact O-N 2.98Å; F346-F349 HydrophobicContact CD2-CD1 4.17Å; F346-F349 HydrophobicContact CE2-CD1 4.24Å; F346-F349 PolarHBondContact O-N 3.09Å; F346-L350 HydrophobicContact CD1-CD1 3.98Å; F346-L350 HydrophobicContact CD2-CD1 4.42Å; F346-L350 HydrophobicContact CD2-CG 4.26Å; F346-L350 HydrophobicContact CE1-CD1 3.69Å; F346-L350 HydrophobicContact CE1-CG 4.45Å; F346-L350 HydrophobicContact CE2-CD1 4.15Å; F346-L350 HydrophobicContact CE2-CD2 4.15Å; F346-L350 HydrophobicContact CE2-CG 4.02Å; F346-L350 HydrophobicContact CG-CD1 4.34Å; F346-L350 HydrophobicContact CZ-CD1 3.78Å; F346-L350 HydrophobicContact CZ-CD2 4.19Å; F346-L350 HydrophobicContact CZ-CG 4.12Å; F346-L350 WeakPolarHBondContact O-CB 3.42Å; F346-L350 WeakPolarHBondContact O-CG 3.34Å; F346-L350 PolarHBondContact O-N 3.45Å
347	P	88.6	Confident	83.5	Confident	43 Å²	43	56 Å²	56	28%	0.279	28%	0.277	S	S	.	.	H	α-helix	trans	-64.5	-35	174.1	-21.2	33.8	0	0	0	113.1	L324 S351	L324-P347 HydrophobicContact CD2-CB 4.02Å; L324-P347 HydrophobicContact CD2-CG 3.89Å; P347-S351 PolarHBondContact O-N 2.67Å; P347-S351 VanDerWaalsContact O-N 3.14Å; P347-S351 PolarHBondContact O-OG 2.96Å; P347-S351 VanDerWaalsContact O-OG 3.05Å
348	K	86.4	Confident	84.7	Confident	146 Å²	146	51.9 Å²	51.9	64%	0.635	26%	0.255	S	S	*	.	H	α-helix	trans	-70.8	-46.4	176.1	-63.1	-173.4	178.5	-173.3	0	111.3	H345 F346 L350 S351 M352	H345-K348 WeakPolarHBondContact O-CB 3.47Å; H345-K348 PolarHBondContact O-N 3.34Å; F346-K348 VanDerWaalsContact C-N 3.32Å; F346-K348 PolarHBondContact O-N 2.98Å; K348-L350 VanDerWaalsContact C-N 3.29Å; K348-L350 PolarHBondContact O-N 3.47Å; K348-S351 PolarHBondContact O-N 3.49Å; K348-S351 VanDerWaalsContact O-N 3.13Å; K348-M352 WeakPolarHBondContact O-CG 3.48Å; K348-M352 PolarHBondContact O-N 3.01Å
349	F	90.4	Very high	85.6	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-52.8	-47.4	173.6	175.8	-86.9	0	0	0	111.3	F228 V229 F233 I244 A248 F251 H345 F346 M352 L353	F228-F349 HydrophobicContact CD1-CE2 4.2Å; F228-F349 HydrophobicContact CD1-CZ 4.37Å; F228-F349 AromaticContact CE1-CD2 3.98Å; F228-F349 HydrophobicContact CE1-CD2 3.98Å; F228-F349 AromaticContact CE1-CE2 3.67Å; F228-F349 HydrophobicContact CE1-CE2 3.67Å; F228-F349 HydrophobicContact CE1-CZ 4.02Å; V229-F349 HydrophobicContact CG2-CE2 4.34Å; F233-F349 HydrophobicContact CE2-CD2 4.49Å; I244-F349 HydrophobicContact CG2-CD2 4.07Å; I244-F349 HydrophobicContact CG2-CE2 4.01Å; A248-F349 HydrophobicContact CB-CE2 4.14Å; A248-F349 HydrophobicContact CB-CZ 3.86Å; F251-F349 HydrophobicContact CB-CE1 4.23Å; F251-F349 HydrophobicContact CG-CE1 4.28Å; H345-F349 PolarHBondContact O-N 3.14Å; F346-F349 HydrophobicContact CD2-CD1 4.17Å; F346-F349 HydrophobicContact CE2-CD1 4.24Å; F346-F349 PolarHBondContact O-N 3.09Å; F349-M352 PolarHBondContact O-N 3.37Å; F349-L353 HydrophobicContact CE1-CD2 4.1Å; F349-L353 HydrophobicContact CZ-CD2 4.5Å; F349-L353 WeakPolarHBondContact O-CB 3.48Å; F349-L353 PolarHBondContact O-N 3.49Å
350	L	91.8	Very high	85.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-34.5	178.3	-72.1	173.4	0	0	0	113.4	F251 F316 R320 L324 F346 K348 E354	F251-L350 HydrophobicContact CD2-CD2 3.66Å; F251-L350 HydrophobicContact CE2-CD2 3.59Å; F316-L350 WeakPolarHBondContact CE1-O 3.41Å; F316-L350 HydrophobicContact CZ-CD2 4.3Å; F316-L350 WeakPolarHBondContact CZ-O 3.35Å; R320-L350 HydrophobicContact CG-CB 4.18Å; R320-L350 HydrophobicContact CG-CD1 4.3Å; L324-L350 HydrophobicContact CD2-CD1 3.96Å; L324-L350 HydrophobicContact CG-CD1 3.99Å; F346-L350 HydrophobicContact CD1-CD1 3.98Å; F346-L350 HydrophobicContact CD2-CD1 4.42Å; F346-L350 HydrophobicContact CD2-CG 4.26Å; F346-L350 HydrophobicContact CE1-CD1 3.69Å; F346-L350 HydrophobicContact CE1-CG 4.45Å; F346-L350 HydrophobicContact CE2-CD1 4.15Å; F346-L350 HydrophobicContact CE2-CD2 4.15Å; F346-L350 HydrophobicContact CE2-CG 4.02Å; F346-L350 HydrophobicContact CG-CD1 4.34Å; F346-L350 HydrophobicContact CZ-CD1 3.78Å; F346-L350 HydrophobicContact CZ-CD2 4.19Å; F346-L350 HydrophobicContact CZ-CG 4.12Å; F346-L350 WeakPolarHBondContact O-CB 3.42Å; F346-L350 WeakPolarHBondContact O-CG 3.34Å; F346-L350 PolarHBondContact O-N 3.45Å; K348-L350 VanDerWaalsContact C-N 3.29Å; K348-L350 PolarHBondContact O-N 3.47Å; L350-E354 WeakPolarHBondContact O-CB 3.45Å; L350-E354 PolarHBondContact O-N 3.3Å; L350-E354 VanDerWaalsContact O-N 3.09Å
351	S	91.8	Very high	86.5	Confident	38 Å²	38	56.9 Å²	56.9	27%	0.266	29%	0.288	S	S	.	.	H	α-helix	trans	-67.7	-48.6	173.5	-57.6	0	0	0	0	112	R320 P347 K348 L353 E354 E355	R320-S351 PolarHBondContact NH2-OG 3.04Å; P347-S351 PolarHBondContact O-N 2.67Å; P347-S351 VanDerWaalsContact O-N 3.14Å; P347-S351 PolarHBondContact O-OG 2.96Å; P347-S351 VanDerWaalsContact O-OG 3.05Å; K348-S351 PolarHBondContact O-N 3.49Å; K348-S351 VanDerWaalsContact O-N 3.13Å; S351-L353 PolarHBondContact O-N 3.25Å; S351-E354 VanDerWaalsContact O-CB 3.25Å; S351-E354 WeakPolarHBondContact O-CB 3.29Å; S351-E354 PolarHBondContact O-N 3.46Å; S351-E355 PolarHBondContact O-N 3.38Å; S351-E355 VanDerWaalsContact O-N 3.16Å
352	M	91.3	Very high	87.4	Confident	60 Å²	60	55.7 Å²	55.7	30%	0.296	28%	0.282	S	S	.	.	H	α-helix	trans	-63	-32.8	179.7	-68.5	172.7	69.1	0	0	112	F228 K232 F233 K348 F349 E356	F228-M352 HydrophobicContact CE2-CB 4.11Å; F228-M352 WeakPolarHBondContact CE2-O 3.46Å; F228-M352 HydrophobicContact CZ-CB 3.79Å; K232-M352 HydrophobicContact CB-CE 4.1Å; K232-M352 HydrophobicContact CG-CE 4.33Å; F233-M352 HydrophobicContact CE1-CE 3.82Å; F233-M352 HydrophobicContact CE1-SD 4.15Å; F233-M352 HydrophobicContact CE2-CE 4.4Å; F233-M352 HydrophobicContact CZ-CE 3.55Å; F233-M352 HydrophobicContact CZ-SD 3.82Å; K348-M352 WeakPolarHBondContact O-CG 3.48Å; K348-M352 PolarHBondContact O-N 3.01Å; F349-M352 PolarHBondContact O-N 3.37Å; M352-E356 PolarHBondContact O-N 3.37Å
353	L	93	Very high	88	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-74.4	-30.8	173.6	-176	57.9	0	0	0	112.2	V225 F228 F251 F316 F349 S351 E356 V357 I364	V225-L353 HydrophobicContact CG2-CD2 4.2Å; F228-L353 HydrophobicContact CB-CD1 4.23Å; F228-L353 HydrophobicContact CD1-CB 4.46Å; F228-L353 HydrophobicContact CD1-CD1 3.88Å; F228-L353 HydrophobicContact CD2-CD1 4.06Å; F228-L353 HydrophobicContact CE1-CB 3.89Å; F228-L353 HydrophobicContact CE1-CD1 4.18Å; F228-L353 HydrophobicContact CE1-CG 4.47Å; F228-L353 HydrophobicContact CE2-CB 4.21Å; F228-L353 HydrophobicContact CE2-CD1 4.36Å; F228-L353 HydrophobicContact CG-CD1 3.8Å; F228-L353 HydrophobicContact CZ-CB 3.76Å; F228-L353 HydrophobicContact CZ-CD1 4.41Å; F251-L353 HydrophobicContact CD1-CD2 4.08Å; F251-L353 HydrophobicContact CE1-CD2 3.49Å; F251-L353 VanDerWaalsContact CE1-CD2 3.49Å; F251-L353 HydrophobicContact CE2-CD2 4.42Å; F251-L353 HydrophobicContact CZ-CD2 3.69Å; F316-L353 HydrophobicContact CE2-CB 4.36Å; F316-L353 HydrophobicContact CE2-CD2 3.8Å; F316-L353 HydrophobicContact CE2-CG 3.76Å; F316-L353 HydrophobicContact CZ-CB 4.03Å; F316-L353 HydrophobicContact CZ-CD2 4.19Å; F316-L353 HydrophobicContact CZ-CG 3.95Å; F349-L353 HydrophobicContact CE1-CD2 4.1Å; F349-L353 HydrophobicContact CZ-CD2 4.5Å; F349-L353 WeakPolarHBondContact O-CB 3.48Å; F349-L353 PolarHBondContact O-N 3.49Å; S351-L353 PolarHBondContact O-N 3.25Å; L353-E356 PolarHBondContact O-N 2.98Å; L353-V357 HydrophobicContact CD1-CG2 4.22Å; L353-V357 HydrophobicContact CG-CG2 4.26Å; L353-V357 WeakPolarHBondContact O-CB 3.28Å; L353-V357 WeakPolarHBondContact O-CG2 3.39Å; L353-V357 PolarHBondContact O-N 3.19Å; L353-I364 HydrophobicContact CD1-CD1 4.47Å
354	E	93.4	Very high	88.8	Confident	37 Å²	37	52.6 Å²	52.6	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-45	174.7	-156.9	157.9	-151.4	0	0	111.4	F316 T317 R320 L350 S351 E356 V357 Y358	F316-E354 HydrophobicContact CD1-CB 4.08Å; F316-E354 HydrophobicContact CD1-CG 3.7Å; F316-E354 HydrophobicContact CE1-CB 3.52Å; F316-E354 HydrophobicContact CE1-CG 3.66Å; F316-E354 HydrophobicContact CZ-CB 4.28Å; T317-E354 WeakPolarHBondContact CG2-OE1 3.27Å; R320-E354 VanDerWaalsContact CD-OE2 3.25Å; R320-E354 WeakPolarHBondContact CD-OE2 3.26Å; R320-E354 IonicContact CZ-OE2 3.68Å; R320-E354 IonicContact NE-OE2 2.73Å; R320-E354 PolarHBondContact NE-OE2 3.11Å; R320-E354 IonicContact NH1-OE1 2.64Å; R320-E354 IonicContact NH1-OE2 3.08Å; R320-E354 PolarHBondContact NH1-OE2 3.44Å; R320-E354 IonicContact NH2-OE2 3.24Å; L350-E354 WeakPolarHBondContact O-CB 3.45Å; L350-E354 PolarHBondContact O-N 3.3Å; L350-E354 VanDerWaalsContact O-N 3.09Å; S351-E354 VanDerWaalsContact O-CB 3.25Å; S351-E354 WeakPolarHBondContact O-CB 3.29Å; S351-E354 PolarHBondContact O-N 3.46Å; E354-E356 PolarHBondContact O-N 3.12Å; E354-V357 PolarHBondContact O-N 2.91Å; E354-Y358 HydrophobicContact CG-CD2 3.84Å; E354-Y358 HydrophobicContact CG-CE2 3.83Å; E354-Y358 VanDerWaalsContact O-CD2 3.29Å; E354-Y358 WeakPolarHBondContact O-CD2 3.41Å; E354-Y358 PolarHBondContact O-N 2.89Å
355	E	91.9	Very high	89.5	Confident	117 Å²	117	50.2 Å²	50.2	55%	0.547	25%	0.251	S	S	.	.	H	α-helix	trans	-55.4	-50.6	175.7	-69.6	163.7	-159.7	0	0	111	S351 Y358 S359	S351-E355 PolarHBondContact O-N 3.38Å; S351-E355 VanDerWaalsContact O-N 3.16Å; E355-Y358 PolarHBondContact O-N 3.21Å; E355-S359 WeakPolarHBondContact O-CA 3.41Å; E355-S359 WeakPolarHBondContact O-CB 3.33Å; E355-S359 PolarHBondContact O-N 3.26Å
356	E	92.8	Very high	89.9	Confident	15 Å²	15	50 Å²	50	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-74.5	-24.3	-179.6	-59.4	-59.9	154.3	0	0	113.9	F228 K232 M352 L353 E354 S362 I364 W365	F228-E356 HydrophobicContact CD2-CB 4.3Å; F228-E356 HydrophobicContact CD2-CG 3.96Å; F228-E356 HydrophobicContact CE2-CG 4.07Å; K232-E356 WeakPolarHBondContact CE-OE1 3.33Å; K232-E356 IonicContact NZ-OE1 2.65Å; K232-E356 PolarHBondContact NZ-OE1 3.21Å; M352-E356 PolarHBondContact O-N 3.37Å; L353-E356 PolarHBondContact O-N 2.98Å; E354-E356 PolarHBondContact O-N 3.12Å; E356-S362 WeakPolarHBondContact CB-OG 3.31Å; E356-S362 VanDerWaalsContact O-CB 3.26Å; E356-S362 WeakPolarHBondContact O-CB 3.22Å; E356-S362 PolarHBondContact O-OG 2.93Å; E356-S362 WeakPolarHBondContact OE2-CB 3.46Å; E356-S362 PolarHBondContact OE2-OG 3.15Å; E356-I364 HydrophobicContact CB-CD1 3.64Å; E356-I364 HydrophobicContact CB-CG1 4.43Å; E356-W365 PolarHBondContact O-NE1 3.48Å
357	V	92.6	Very high	89.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.1	-44.6	172.2	163.1	0	0	0	0	110.8	R309 L312 R313 F316 L353 E354 W365	R309-V357 PolarHBondContact NE-O 3Å; R309-V357 VanDerWaalsContact NE-O 3.09Å; R309-V357 PolarHBondContact NH2-O 2.91Å; L312-V357 HydrophobicContact CD2-CG2 3.61Å; L312-V357 HydrophobicContact CG-CG1 4.42Å; L312-V357 HydrophobicContact CG-CG2 4.09Å; R313-V357 HydrophobicContact CB-CG1 4.36Å; R313-V357 WeakPolarHBondContact CD-O 3.27Å; R313-V357 HydrophobicContact CG-CG1 3.6Å; R313-V357 WeakPolarHBondContact CG-O 3.42Å; F316-V357 HydrophobicContact CB-CG1 4.33Å; F316-V357 HydrophobicContact CD2-CG2 4.08Å; F316-V357 HydrophobicContact CE2-CG2 4.22Å; F316-V357 HydrophobicContact CG-CG1 4.47Å; L353-V357 HydrophobicContact CD1-CG2 4.22Å; L353-V357 HydrophobicContact CG-CG2 4.26Å; L353-V357 WeakPolarHBondContact O-CB 3.28Å; L353-V357 WeakPolarHBondContact O-CG2 3.39Å; L353-V357 PolarHBondContact O-N 3.19Å; E354-V357 PolarHBondContact O-N 2.91Å; V357-W365 HydrophobicContact CG2-CZ2 3.98Å
358	Y	92	Very high	89.1	Confident	76 Å²	76	60 Å²	60	30%	0.298	30%	0.3	S	S	.	.	H	α-helix	trans	-94.3	-24.7	-175.1	-67.5	-68.8	0	0	0	114.9	R313 F316 T317 E354 E355 Q360	R313-Y358 HydrophobicContact CB-CD1 4.4Å; R313-Y358 HydrophobicContact CB-CE1 3.93Å; R313-Y358 HydrophobicContact CG-CD1 4.06Å; R313-Y358 HydrophobicContact CG-CE1 4.06Å; R313-Y358 WeakPolarHBondContact O-CE1 3.47Å; R313-Y358 PolarHBondContact O-OH 3.45Å; F316-Y358 HydrophobicContact CB-CE2 4.31Å; F316-Y358 HydrophobicContact CD1-CE2 4.5Å; T317-Y358 HydrophobicContact CG2-CE2 4.12Å; E354-Y358 HydrophobicContact CG-CD2 3.84Å; E354-Y358 HydrophobicContact CG-CE2 3.83Å; E354-Y358 VanDerWaalsContact O-CD2 3.29Å; E354-Y358 WeakPolarHBondContact O-CD2 3.41Å; E354-Y358 PolarHBondContact O-N 2.89Å; E355-Y358 PolarHBondContact O-N 3.21Å; Y358-Q360 PolarHBondContact O-N 2.92Å
359	S	90.1	Very high	88.7	Confident	53 Å²	53	53.4 Å²	53.4	37%	0.371	27%	0.271	S	S	.	.			trans	-62.7	118.7	179	173.9	0	0	0	0	112	R309 E355 N361 S362	R309-S359 PolarHBondContact NH2-O 2.93Å; E355-S359 WeakPolarHBondContact O-CA 3.41Å; E355-S359 WeakPolarHBondContact O-CB 3.33Å; E355-S359 PolarHBondContact O-N 3.26Å; S359-N361 PolarHBondContact O-N 2.9Å; S359-N361 VanDerWaalsContact O-N 3.16Å; S359-S362 WeakPolarHBondContact O-CB 3.42Å; S359-S362 PolarHBondContact O-N 3.26Å
360	Q	81.7	Confident	87.4	Confident	166 Å²	166	59 Å²	59	78%	0.776	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-38.9	-174.2	-62.1	-176	9.6	0	0	112.1	R309 Y358 S362	R309-Q360 PolarHBondContact NH1-O 2.98Å; Y358-Q360 PolarHBondContact O-N 2.92Å; Q360-S362 PolarHBondContact O-N 2.93Å
361	N	84.1	Confident	85.6	Confident	148 Å²	148	62 Å²	62	79%	0.791	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	24.1	-172.4	-55.3	3.8	0	0	0	113.6	S359 P363	S359-N361 PolarHBondContact O-N 2.9Å; S359-N361 VanDerWaalsContact O-N 3.16Å; N361-P363 WeakPolarHBondContact O-CD 3.38Å
362	S	89.5	Confident	83.4	Confident	5 Å²	5	62.2 Å²	62.2	4%	0.035	33%	0.325	C	S	.	.			trans	-76.7	118.5	-177.1	179.6	0	0	0	0	112.5	E356 S359 Q360 I364	E356-S362 WeakPolarHBondContact CB-OG 3.31Å; E356-S362 VanDerWaalsContact O-CB 3.26Å; E356-S362 WeakPolarHBondContact O-CB 3.22Å; E356-S362 PolarHBondContact O-OG 2.93Å; E356-S362 WeakPolarHBondContact OE2-CB 3.46Å; E356-S362 PolarHBondContact OE2-OG 3.15Å; S359-S362 WeakPolarHBondContact O-CB 3.42Å; S359-S362 PolarHBondContact O-N 3.26Å; Q360-S362 PolarHBondContact O-N 2.93Å; S362-I364 VanDerWaalsContact C-N 3.26Å; S362-I364 PolarHBondContact O-N 3.42Å
363	P	89.1	Confident	81.2	Confident	31 Å²	31	61.5 Å²	61.5	20%	0.201	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-75.5	-10.8	-173	31.6	-37	0	0	0	113.9	Y231 N361 W365 D366 F369	Y231-P363 HydrophobicContact CD1-CG 4.42Å; Y231-P363 HydrophobicContact CD2-CG 4.48Å; Y231-P363 HydrophobicContact CE1-CG 3.97Å; Y231-P363 HydrophobicContact CE2-CG 4.06Å; N361-P363 WeakPolarHBondContact O-CD 3.38Å; P363-W365 PolarHBondContact O-N 3.05Å; P363-W365 VanDerWaalsContact O-N 3.1Å; P363-D366 WeakPolarHBondContact CA-OD2 3.5Å; P363-D366 PolarHBondContact O-N 3.43Å; P363-D366 VanDerWaalsContact O-N 3.13Å; P363-F369 WeakPolarHBondContact O-CD2 3.35Å
364	I	91.4	Very high	78.7	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-65.5	-16.2	-178.9	74.6	174.5	0	0	0	112.4	N227 F228 Y231 L353 E356 S362	N227-I364 HydrophobicContact CB-CB 3.88Å; N227-I364 HydrophobicContact CB-CG2 4.46Å; N227-I364 WeakPolarHBondContact CB-O 3.44Å; N227-I364 PolarHBondContact ND2-O 2.71Å; F228-I364 HydrophobicContact CB-CD1 3.82Å; F228-I364 HydrophobicContact CB-CG2 4.25Å; F228-I364 HydrophobicContact CD2-CD1 4.45Å; Y231-I364 HydrophobicContact CD1-CG2 3.79Å; Y231-I364 HydrophobicContact CG-CG2 4.21Å; L353-I364 HydrophobicContact CD1-CD1 4.47Å; E356-I364 HydrophobicContact CB-CD1 3.64Å; E356-I364 HydrophobicContact CB-CG1 4.43Å; S362-I364 VanDerWaalsContact C-N 3.26Å; S362-I364 PolarHBondContact O-N 3.42Å
365	W	91.7	Very high	76.1	Confident	20 Å²	20	72.8 Å²	72.8	8%	0.076	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-99.6	3	-179.8	-55.4	105.7	0	0	0	113.5	P219 R309 L312 E356 V357 P363	P219-W365 WeakPolarHBondContact CD-O 3.33Å; P219-W365 HydrophobicContact CG-CE3 4.35Å; P219-W365 WeakPolarHBondContact CG-O 3.3Å; R309-W365 HydrophobicContact CB-CD2 3.75Å; R309-W365 HydrophobicContact CB-CE3 3.63Å; R309-W365 HydrophobicContact CB-CG 4.28Å; R309-W365 HydrophobicContact CB-CZ3 4.03Å; R309-W365 HydrophobicContact CG-CD2 3.7Å; R309-W365 HydrophobicContact CG-CE3 4.11Å; R309-W365 HydrophobicContact CG-CG 4.01Å; R309-W365 HydrophobicContact CG-CZ2 4.28Å; L312-W365 HydrophobicContact CD2-CH2 3.66Å; L312-W365 HydrophobicContact CD2-CZ2 4.03Å; E356-W365 PolarHBondContact O-NE1 3.48Å; V357-W365 HydrophobicContact CG2-CZ2 3.98Å; P363-W365 PolarHBondContact O-N 3.05Å; P363-W365 VanDerWaalsContact O-N 3.1Å
366	D	87.9	Confident	73.6	Confident	87 Å²	87	72.3 Å²	72.3	47%	0.465	38%	0.384	S	S	.	.			trans	-78.6	141	173.3	-62.4	-32.8	0	0	0	110.4	P363 D368	P363-D366 WeakPolarHBondContact CA-OD2 3.5Å; P363-D366 PolarHBondContact O-N 3.43Å; P363-D366 VanDerWaalsContact O-N 3.13Å; D366-D368 VanDerWaalsContact C-N 3.27Å; D366-D368 PolarHBondContact O-N 3.34Å
367	Q	80	Confident	70.8	Confident	147 Å²	147	76.3 Å²	76.3	69%	0.687	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-27.8	177.3	-63.6	-173.1	19.6	0	0	111.6	K218	K218-Q367 PolarHBondContact O-NE2 3.36Å; K218-Q367 VanDerWaalsContact O-NE2 3.08Å
368	D	77.3	Confident	67.9	Low	113 Å²	113	84.9 Å²	84.9	60%	0.604	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	22.4	-180	-68.9	-63.8	0	0	0	114.2	D366 L370 S371 A372	D366-D368 VanDerWaalsContact C-N 3.27Å; D366-D368 PolarHBondContact O-N 3.34Å; D368-L370 PolarHBondContact O-N 3.24Å; D368-S371 CarbonylContact O-C 3.42Å; D368-S371 WeakPolarHBondContact O-CA 3.49Å; D368-S371 VanDerWaalsContact O-CB 3.32Å; D368-S371 WeakPolarHBondContact O-CB 3.09Å; D368-S371 PolarHBondContact O-N 2.82Å; D368-A372 PolarHBondContact O-N 3.22Å; D368-A372 VanDerWaalsContact O-N 3.09Å
369	F	78.3	Confident	65	Low	6 Å²	6	88.9 Å²	88.9	3%	0.026	48%	0.48	C	S	.	.	H	α-helix	trans	-48.7	-38.5	-175.3	173.7	-103.8	0	0	0	114.9	N227 Q230 Y231 P363 A372 S373	N227-F369 HydrophobicContact CB-CD1 3.79Å; N227-F369 HydrophobicContact CB-CD2 4.35Å; N227-F369 HydrophobicContact CB-CE1 3.82Å; N227-F369 HydrophobicContact CB-CE2 4.38Å; N227-F369 HydrophobicContact CB-CG 4.07Å; N227-F369 HydrophobicContact CB-CZ 4.13Å; N227-F369 VanDerWaalsContact CG-CD1 3.41Å; N227-F369 WeakPolarHBondContact O-CZ 3.42Å; N227-F369 WeakPolarHBondContact OD1-CD1 3.16Å; Q230-F369 HydrophobicContact CB-CE1 4.17Å; Q230-F369 HydrophobicContact CB-CZ 4.41Å; Y231-F369 HydrophobicContact CD2-CE2 4.48Å; Y231-F369 HydrophobicContact CG-CE2 4.45Å; P363-F369 WeakPolarHBondContact O-CD2 3.35Å; F369-A372 PolarHBondContact O-N 3.3Å; F369-S373 PolarHBondContact O-N 3.42Å; F369-S373 PolarHBondContact O-OG 2.95Å
370	L	64.8	Low	62	Low	121 Å²	121	89.8 Å²	89.8	63%	0.634	50%	0.497	S	S	*	.	H	α-helix	trans	-71.7	-31.1	176.9	-64.3	175	0	0	0	112.9	D368 A372	D368-L370 PolarHBondContact O-N 3.24Å; L370-A372 VanDerWaalsContact C-N 3.34Å
371	S	52.1	Low	59.7	Low	62 Å²	62	89.5 Å²	89.5	43%	0.434	50%	0.5	S	S	.	.	H	α-helix	trans	-78.6	-17.2	176.4	-48.5	0	0	0	0	113.1	D368 S374	D368-S371 CarbonylContact O-C 3.42Å; D368-S371 WeakPolarHBondContact O-CA 3.49Å; D368-S371 VanDerWaalsContact O-CB 3.32Å; D368-S371 WeakPolarHBondContact O-CB 3.09Å; D368-S371 PolarHBondContact O-N 2.82Å; S371-S374 PolarHBondContact O-OG 3.25Å
372	A	45.4	Very low	56.9	Low	42 Å²	42	91.1 Å²	91.1	35%	0.347	50%	0.502	S	S	.	.	H	α-helix	trans	-89.6	-41.2	176.3	0	0	0	0	0	112.4	D368 F369 L370 S374 R375 T376	D368-A372 PolarHBondContact O-N 3.22Å; D368-A372 VanDerWaalsContact O-N 3.09Å; F369-A372 PolarHBondContact O-N 3.3Å; L370-A372 VanDerWaalsContact C-N 3.34Å; A372-S374 PolarHBondContact O-N 3.25Å; A372-R375 WeakPolarHBondContact O-CB 3.45Å; A372-R375 PolarHBondContact O-N 2.68Å; A372-T376 PolarHBondContact O-N 2.68Å; A372-T376 PolarHBondContact O-OG1 3.39Å
373	S	46.6	Very low	54.1	Low	45 Å²	45	96.7 Å²	96.7	32%	0.315	54%	0.536	S	S	.	.	H	α-helix	trans	-62.7	-27.9	-177.8	-62.7	0	0	0	0	113.6	F369 R375 T376 S377	F369-S373 PolarHBondContact O-N 3.42Å; F369-S373 PolarHBondContact O-OG 2.95Å; S373-R375 VanDerWaalsContact C-N 3.33Å; S373-T376 WeakPolarHBondContact CA-OG1 3.48Å; S373-T376 PolarHBondContact O-OG1 3Å; S373-S377 PolarHBondContact O-N 2.93Å; S373-S377 PolarHBondContact O-OG 3.12Å
374	S	39.4	Very low	51.1	Low	77 Å²	77	101.4 Å²	101.4	54%	0.538	56%	0.564	S	S	.	*	H	α-helix	trans	-71.2	-23.4	172.9	47.7	0	0	0	0	113.5	S371 A372	S371-S374 PolarHBondContact O-OG 3.25Å; A372-S374 PolarHBondContact O-N 3.25Å
375	R	39.2	Very low	48.1	Very low	198 Å²	198	109.1 Å²	109.1	75%	0.747	60%	0.604	S	S	*	*	H	α-helix	trans	-84.4	-36.9	175.7	-56.8	-173.8	-168.8	-167.6	1.8	112.6	A372 S373 S377 Q378	A372-R375 WeakPolarHBondContact O-CB 3.45Å; A372-R375 PolarHBondContact O-N 2.68Å; S373-R375 VanDerWaalsContact C-N 3.33Å; R375-S377 PolarHBondContact O-N 2.86Å; R375-Q378 PolarHBondContact O-N 3.32Å
376	T	40	Very low	44.9	Very low	107 Å²	107	113.4 Å²	113.4	66%	0.656	64%	0.637	S	S	*	*	H	α-helix	trans	-69.5	-11.2	174.4	28.6	0	0	0	0	113.5	A372 S373 Q378	A372-T376 PolarHBondContact O-N 2.68Å; A372-T376 PolarHBondContact O-OG1 3.39Å; S373-T376 WeakPolarHBondContact CA-OG1 3.48Å; S373-T376 PolarHBondContact O-OG1 3Å; T376-Q378 PolarHBondContact O-N 3.07Å
377	S	34.8	Very low	42.1	Very low	99 Å²	99	114.9 Å²	114.9	69%	0.692	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	1.6	175.3	-61.4	0	0	0	0	114.7	S373 R375	S373-S377 PolarHBondContact O-N 2.93Å; S373-S377 PolarHBondContact O-OG 3.12Å; R375-S377 PolarHBondContact O-N 2.86Å
378	Q	30.8	Very low	39.8	Very low	179 Å²	179	113.3 Å²	113.3	84%	0.836	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.7	4.5	-178.4	-83.6	-170.2	-31.2	0	0	115.9	R375 T376	R375-Q378 PolarHBondContact O-N 3.32Å; T376-Q378 PolarHBondContact O-N 3.07Å
379	L	30.5	Very low	37.5	Very low	160 Å²	160	114 Å²	114	84%	0.838	66%	0.664	S	S	*	*	S	Bend	trans	-108.2	121	170	-84.2	164.4	0	0	0	110.2
380	G	26.9	Very low	35	Very low	72 Å²	72	120 Å²	120	74%	0.742	70%	0.701	S	S	*	*			trans	-72	165.9	-168	0	0	0	0	0	115.1	Q382	G380-Q382 PolarHBondContact O-N 2.95Å
381	I	34.4	Very low	33.2	Very low	161 Å²	161	119.1 Å²	119.1	83%	0.826	71%	0.711	S	S	*	*			trans	-56.9	118.9	176.9	-60	161	0	0	0	110.2	T383	I381-T383 HydrophobicContact CG2-CG2 4Å
382	Q	25.8	Very low	31.9	Very low	182 Å²	182	119.9 Å²	119.9	85%	0.85	73%	0.729	S	S	*	*			trans	-101.3	99.8	162.2	-110.8	-172.9	12.7	0	0	110.1	G380	G380-Q382 PolarHBondContact O-N 2.95Å
383	T	29.8	Very low	30.8	Very low	122 Å²	122	124.2 Å²	124.2	75%	0.748	75%	0.752	S	S	*	*			trans	-75.2	121.3	166	44.8	0	0	0	0	110	I381	I381-T383 HydrophobicContact CG2-CG2 4Å
384	V	26.3	Very low	29.7	Very low	130 Å²	130	128.4 Å²	128.4	79%	0.788	77%	0.769	S	S	*	*			trans	-111.2	92.3	168.7	-175.8	0	0	0	0	109.3
385	I	28	Very low	28.8	Very low	161 Å²	161	129.4 Å²	129.4	83%	0.826	78%	0.776	S	S	*	*			trans	-131.7	117.4	161	-60.4	177.7	0	0	0	106.1
386	S	25.1	Very low	28	Very low	111 Å²	111	129 Å²	129	78%	0.776	78%	0.776	S	S	*	*			trans	-141.6	154.2	169.3	-82	0	0	0	0	110.4
387	P	27.7	Very low	27.1	Very low	117 Å²	117	130.5 Å²	130.5	76%	0.76	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-93.8	172.7	-157.4	-5.8	27.6	0	0	0	114.4
388	P	32.3	Very low	26.5	Very low	114 Å²	114	130.6 Å²	130.6	74%	0.74	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-81.4	149.6	178.4	33.8	-35	0	0	0	113
389	P	29.8	Very low	26.1	Very low	127 Å²	127	128 Å²	128	83%	0.825	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-85.7	144.7	167.7	34.6	-33	0	0	0	111.7
390	V	26	Very low	25.7	Very low	134 Å²	134	125.5 Å²	125.5	81%	0.812	77%	0.773	S	S	*	*			trans	-139.3	137.1	171.6	176.3	0	0	0	0	109.6
391	A	27.1	Very low	25.5	Very low	101 Å²	101	127.6 Å²	127.6	84%	0.835	78%	0.776	S	S	*	*			trans	63	114.8	169.2	0	0	0	0	0	118.8
392	G	24.8	Very low	24.9	Very low	79 Å²	79	124.6 Å²	124.6	81%	0.814	77%	0.77	S	S	*	*			trans	-156.2	115.6	157.5	0	0	0	0	0	107.9
393	T	21.8	Very low	24.9	Very low	133 Å²	133	123.2 Å²	123.2	82%	0.816	77%	0.767	S	S	*	*			trans	-104.3	178.8	-167.8	21.7	0	0	0	0	113.4
394	I	23	Very low	24.6	Very low	132 Å²	132	126.5 Å²	126.5	68%	0.677	77%	0.774	S	S	*	*			trans	84.6	98.7	176.3	-51.8	173.3	0	0	0	111.6	Y396	I394-Y396 HydrophobicContact CG2-CE2 3.92Å
395	S	20.9	Very low	24.4	Very low	98 Å²	98	128.6 Å²	128.6	69%	0.685	78%	0.775	S	S	*	*				73.8	143.6	86.5	-55	0	0	0	0	113
396	Y	22.7	Very low	24.2	Very low	190 Å²	190	127 Å²	127	75%	0.745	78%	0.779	S	S	*	*			cis	-150.8	151.6	39.9	-74.5	-97.2	0	0	0	115.7	I394	I394-Y396 HydrophobicContact CG2-CE2 3.92Å
397	N	21.3	Very low	24	Very low	138 Å²	138	129.5 Å²	129.5	74%	0.738	78%	0.783	S	S	*	*			trans	54.1	135.7	138	-65.6	7.6	0	0	0	125.2
398	S	22.2	Very low	23.8	Very low	102 Å²	102	128.6 Å²	128.6	71%	0.713	79%	0.786	S	S	*	*			trans	74.7	146.8	136.1	-67	0	0	0	0	121.3
399	T	21.9	Very low	23.4	Very low	124 Å²	124	126.6 Å²	126.6	76%	0.761	79%	0.786	S	S	*	*			cis	-159.2	151.3	-20.3	14.5	0	0	0	0	111.3
400	S	21.6	Very low	23.1	Very low	107 Å²	107	126.3 Å²	126.3	75%	0.748	79%	0.787	S	S	*	*			trans	-3.2	137.2	158.6	58	0	0	0	0	122.9
401	S	23	Very low	23	Very low	116 Å²	116	125.2 Å²	125.2	81%	0.811	79%	0.785	S	S	*	*				179	160.1	123	37.6	0	0	0	0	111.6
402	S	22.8	Very low	23.1	Very low	99 Å²	99	125.9 Å²	125.9	69%	0.692	78%	0.783	S	S	*	*			cis	-174	149.3	-49.5	47.2	0	0	0	0	110.5
403	L	24.6	Very low	23.6	Very low	153 Å²	153	128.1 Å²	128.1	80%	0.801	78%	0.784	S	S	*	*			trans	69.3	161.6	167	-65.7	155.6	0	0	0	115
404	E	22.9	Very low	23.6	Very low	190 Å²	190	126 Å²	126	89%	0.888	78%	0.779	S	S	*	*			cis	-121.3	-178.6	16.6	-68.1	-173.1	117.7	0	0	115.6
405	Q	23.5	Very low	23.6	Very low	174 Å²	174	125.3 Å²	125.3	81%	0.813	79%	0.785	S	S	*	*			trans	-117.8	160.8	-179.2	-64.4	176.4	-26.2	0	0	112
406	S	22.9	Very low	23.7	Very low	129 Å²	129	130.5 Å²	130.5	90%	0.902	80%	0.795	S	S	*	*			trans	-148.9	161.6	143.4	45.9	0	0	0	0	109.8
407	N	22.4	Very low	23.7	Very low	163 Å²	163	126.4 Å²	126.4	87%	0.872	80%	0.8	S	S	*	*			trans	-138.7	175.3	-154.2	-162.2	4	0	0	0	112.8
408	A	23.5	Very low	23.8	Very low	98 Å²	98	125.3 Å²	125.3	81%	0.81	80%	0.804	S	S	*	*			trans	88.4	148.3	-177.2	0	0	0	0	0	116.2
409	G	24	Very low	23.9	Very low	72 Å²	72	126.6 Å²	126.6	74%	0.742	81%	0.813	S	S	*	*			cis	171.7	113.4	-8	0	0	0	0	0	114.5
410	S	23.5	Very low	23.9	Very low	121 Å²	121	124.3 Å²	124.3	85%	0.846	81%	0.813	S	S	*	*			trans	22.9	126.6	159.9	-163.2	0	0	0	0	121.2
411	S	23.8	Very low	24.1	Very low	110 Å²	110	127.4 Å²	127.4	77%	0.769	82%	0.821	S	S	*	*				178.3	159	109.9	46.7	0	0	0	0	114.7
412	S	29	Very low	23.9	Very low	115 Å²	115	131.5 Å²	131.5	80%	0.804	83%	0.827	S	S	*	*			trans	-159	149.6	163.8	-67.8	0	0	0	0	107.2
413	P	34.4	Very low	23.9	Very low	127 Å²	127	131.5 Å²	131.5	83%	0.825	83%	0.833	S	S	*	*				-153.8	155.9	124.7	36.8	-19	0	0	0	118
414	A	22.2	Very low	23.9	Very low	87 Å²	87	131.3 Å²	131.3	72%	0.719	83%	0.833	S	S	*	*			trans	45.1	107.6	136.7	0	0	0	0	0	123.3
415	C	22.1	Very low	24.4	Very low	118 Å²	118	128.1 Å²	128.1	80%	0.797	83%	0.829	S	S	*	*				33.7	137.5	94	-59.5	0	0	0	0	122.9
416	K	24.2	Very low	24.4	Very low	208 Å²	208	123.1 Å²	123.1	90%	0.904	82%	0.824	S	S	*	*			trans	84.7	131.4	144.5	-73.7	177	179.6	-177.7	0	122.1
417	A	21.3	Very low	24.5	Very low	103 Å²	103	124.9 Å²	124.9	85%	0.851	82%	0.818	S	S	*	*			trans	-140.5	165.5	142.1	0	0	0	0	0	108.3
418	S	24.1	Very low	24.6	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	81%	0.813	S	S	*	*			trans	-155.8	142.8	-163.4	55.9	0	0	0	0	116.9
419	S	23.6	Very low	24.7	Very low	129 Å²	129	132.1 Å²	132.1	90%	0.902	82%	0.817	S	S	*	*			trans	172.3	163.7	155.8	38.3	0	0	0	0	108
420	G	23.3	Very low	24.6	Very low	75 Å²	75	138.6 Å²	138.6	77%	0.773	83%	0.825	S	S	*	*			cis	-173.6	163.8	-5.6	0	0	0	0	0	109.5
421	L	24.2	Very low	24.5	Very low	173 Å²	173	139.6 Å²	139.6	91%	0.906	82%	0.818	S	S	*	*			trans	-104.4	148.8	176.2	-71.6	164.2	0	0	0	110.3
422	E	20.6	Very low	24.3	Very low	202 Å²	202	140 Å²	140	94%	0.944	82%	0.816	S	S	*	*				-176.6	-165.9	121.8	-102.1	-173	179.5	0	0	112.8
423	A	22.1	Very low	24	Very low	99 Å²	99	140.4 Å²	140.4	82%	0.818	81%	0.809	S	S	*	*			trans	-118.2	173.6	-142.3	0	0	0	0	0	117.9
424	N	23.7	Very low	23.4	Very low	149 Å²	149	138.7 Å²	138.7	80%	0.797	80%	0.8	S	S	*	*			trans	-70.8	158.7	176.4	-140.7	-7.7	0	0	0	111.7
425	P	34.7	Very low	23.5	Very low	123 Å²	123	142.9 Å²	142.9	80%	0.799	80%	0.804	S	S	*	*				-159.6	160.6	81.6	40.7	-20.6	0	0	0	119.6
426	G	23.4	Very low	23.7	Very low	69 Å²	69	143.5 Å²	143.5	71%	0.711	80%	0.804	S	S	*	*			trans	83.1	156.4	148.3	0	0	0	0	0	118.7
427	E	25.4	Very low	23.9	Very low	166 Å²	166	141.2 Å²	141.2	78%	0.776	80%	0.801	S	S	*	*			cis	-161.1	163.3	-10.5	-152.7	-136.4	146.6	0	0	111.9
428	K	24.6	Very low	24.1	Very low	179 Å²	179	142.4 Å²	142.4	78%	0.778	79%	0.789	S	S	*	*			trans	103.6	144.6	164.7	-63	177.2	179.2	170.3	0	119
429	R	25.2	Very low	24.3	Very low	233 Å²	233	146.2 Å²	146.2	88%	0.879	79%	0.794	S	S	*	*			trans	-117.1	155.6	-161.6	-60.8	170.5	171.9	136.4	-5.6	112.2
430	K	21.4	Very low	24.6	Very low	208 Å²	208	144.2 Å²	144.2	90%	0.904	79%	0.785	S	S	*	*				-145.6	132.4	126.5	-147.7	174.1	-177.6	179.8	0	110.9
431	M	21.1	Very low	25.1	Very low	143 Å²	143	148 Å²	148	70%	0.704	78%	0.78	S	S	*	*			trans	-78.4	169.8	168.6	-80	172.5	69.3	0	0	108.7
432	T	20.3	Very low	25.8	Very low	118 Å²	118	150.5 Å²	150.5	72%	0.724	78%	0.778	S	S	*	*				-160.9	156.8	52.2	-38.7	0	0	0	0	112.8
433	D	22.1	Very low	26.4	Very low	124 Å²	124	146.4 Å²	146.4	66%	0.663	77%	0.769	S	S	*	*			trans	-2.9	162.3	161.2	-68.3	-69.7	0	0	0	122.8
434	S	22.2	Very low	27	Very low	90 Å²	90	153.1 Å²	153.1	63%	0.629	77%	0.773	S	S	*	*			cis	-178.7	142.5	-26.2	-101	0	0	0	0	107.7
435	H	23.9	Very low	27.6	Very low	175 Å²	175	150.8 Å²	150.8	81%	0.81	76%	0.763	S	S	*	*			trans	-162.6	108.7	135.5	-123.7	-69.8	0	0	0	112.1
436	V	26.3	Very low	27.3	Very low	132 Å²	132	154.2 Å²	154.2	80%	0.8	77%	0.771	S	S	*	*			trans	-74.3	143.3	154.1	175.9	0	0	0	0	107.5
437	L	28.3	Very low	28.6	Very low	160 Å²	160	154.3 Å²	154.3	84%	0.838	77%	0.772	S	S	*	*			trans	-129.5	104.7	164.8	-154.9	81.4	0	0	0	109.6
438	E	25	Very low	29.9	Very low	127 Å²	127	151.9 Å²	151.9	59%	0.593	76%	0.764	S	S	*	*			trans	3.4	111.3	170	-75.5	-90.8	123.3	0	0	117.2	A440 K441	E438-A440 PolarHBondContact O-N 2.91Å; E438-K441 IonicContact OE1-NZ 3.6Å; E438-K441 PolarHBondContact OE1-NZ 2.81Å; E438-K441 IonicContact OE2-NZ 2.68Å; E438-K441 PolarHBondContact OE2-NZ 3.03Å
439	E	28.2	Very low	31.7	Very low	196 Å²	196	147.4 Å²	147.4	92%	0.916	75%	0.748	S	S	*	*			trans	-62.3	94.8	145.4	-89.7	-154.5	108.5	0	0	108	K441	E439-K441 PolarHBondContact O-N 3.13Å
440	A	29.8	Very low	34.1	Very low	87 Å²	87	140 Å²	140	72%	0.719	73%	0.73	S	S	*	*			trans	-54.5	114.3	-176.1	0	0	0	0	0	111	E438 R442	E438-A440 PolarHBondContact O-N 2.91Å; A440-R442 PolarHBondContact O-N 3.37Å; A440-R442 VanDerWaalsContact O-N 3.17Å
441	K	35.6	Very low	36.2	Very low	156 Å²	156	135.9 Å²	135.9	68%	0.678	72%	0.715	S	S	*	*			trans	-48.7	118.2	-172.8	-67.6	150.2	-172.6	113.2	0	111.1	E438 E439 P443	E438-K441 IonicContact OE1-NZ 3.6Å; E438-K441 PolarHBondContact OE1-NZ 2.81Å; E438-K441 IonicContact OE2-NZ 2.68Å; E438-K441 PolarHBondContact OE2-NZ 3.03Å; E439-K441 PolarHBondContact O-N 3.13Å; K441-P443 WeakPolarHBondContact O-CD 3.47Å
442	R	38.4	Very low	38.5	Very low	225 Å²	225	136.8 Å²	136.8	85%	0.849	72%	0.718	S	S	*	*			trans	-53.4	124.6	170.4	-63.5	-176.7	-169.7	175.7	4.9	108.8	A440 R444	A440-R442 PolarHBondContact O-N 3.37Å; A440-R442 VanDerWaalsContact O-N 3.17Å; R442-R444 PolarHBondContact O-N 3.1Å
443	P	32.8	Very low	40.8	Very low	116 Å²	116	133.4 Å²	133.4	75%	0.753	70%	0.695	S	S	*	*			trans	-61.3	110.3	164.3	-18.3	31.7	0	0	0	107.6	K441 V445	K441-P443 WeakPolarHBondContact O-CD 3.47Å; P443-V445 PolarHBondContact O-N 3.06Å; P443-V445 VanDerWaalsContact O-N 3.08Å
444	R	33.7	Very low	43	Very low	240 Å²	240	129.2 Å²	129.2	91%	0.906	67%	0.673	S	S	*	*			trans	-66.6	108.3	174.4	-72.6	-176.5	179.2	177.9	-1.6	107.7	R442 M446	R442-R444 PolarHBondContact O-N 3.1Å; R444-M446 PolarHBondContact O-N 3.21Å
445	V	38	Very low	45.3	Very low	99 Å²	99	129.6 Å²	129.6	60%	0.6	67%	0.668	S	S	*	*			trans	-75.3	128.7	177.9	-178.9	0	0	0	0	107.8	P443 G447 D448	P443-V445 PolarHBondContact O-N 3.06Å; P443-V445 VanDerWaalsContact O-N 3.08Å; V445-G447 PolarHBondContact O-N 3.17Å; V445-D448 PolarHBondContact O-N 3.3Å
446	M	27.8	Very low	47.5	Very low	196 Å²	196	125.2 Å²	125.2	97%	0.966	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	95.9	-177.7	-170	-170.9	-61	0	0	109.9	R444	R444-M446 PolarHBondContact O-N 3.21Å
447	G	49.7	Very low	49.4	Very low	70 Å²	70	119.1 Å²	119.1	72%	0.722	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	141.8	-6.7	-176.5	0	0	0	0	0	115.5	V445	V445-G447 PolarHBondContact O-N 3.17Å
448	D	53.6	Low	51.1	Low	116 Å²	116	114.4 Å²	114.4	62%	0.62	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-58.3	138.5	175.9	-74.1	-29.7	0	0	0	112.3	V445	V445-D448 PolarHBondContact O-N 3.3Å
449	I	63.3	Low	53.1	Low	84 Å²	84	111.6 Å²	111.6	43%	0.431	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-79.1	132.2	179.8	-61.9	142.5	0	0	0	108.9	M451 L453 I454 L673	I449-M451 PolarHBondContact O-N 3.4Å; I449-L453 HydrophobicContact CG2-CB 4.48Å; I449-L453 HydrophobicContact CG2-CD2 4.13Å; I449-I454 HydrophobicContact CB-CD1 4.33Å; I449-I454 HydrophobicContact CB-CG1 4.5Å; I449-I454 HydrophobicContact CG2-CD1 4.28Å; I449-I454 HydrophobicContact CG2-CG1 3.91Å; I449-L673 HydrophobicContact CD1-CD1 3.94Å; I449-L673 HydrophobicContact CG2-CD1 4.26Å; I449-L673 HydrophobicContact CG2-CD2 4.18Å
450	P	75.1	Confident	54.8	Low	77 Å²	77	106.1 Å²	106.1	50%	0.5	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-55.2	135.5	179	-27.9	35.7	0	0	0	112.9	E452 L453 I454	P450-E452 PolarHBondContact O-N 3.3Å; P450-L453 HydrophobicContact CB-CB 4.44Å; P450-L453 PolarHBondContact O-N 2.6Å; P450-I454 PolarHBondContact O-N 3.1Å
451	M	65.6	Low	56.2	Low	122 Å²	122	103.4 Å²	103.4	60%	0.601	53%	0.532	S	S	*	.	H	α-helix	trans	-61	-33.6	-177.1	-149.5	74.4	-124	0	0	112.1	I449 I454 N455	I449-M451 PolarHBondContact O-N 3.4Å; M451-I454 HydrophobicContact CE-CB 4.07Å; M451-I454 HydrophobicContact CE-CD1 3.78Å; M451-I454 HydrophobicContact CE-CG2 3.9Å; M451-I454 PolarHBondContact O-N 2.91Å; M451-I454 HydrophobicContact SD-CD1 4.43Å; M451-N455 VanDerWaalsContact O-CG 3.24Å; M451-N455 PolarHBondContact O-N 3.09Å; M451-N455 PolarHBondContact O-OD1 2.98Å
452	E	68.7	Low	57.3	Low	163 Å²	163	100.8 Å²	100.8	76%	0.762	53%	0.53	S	S	*	.	H	α-helix	trans	-58.2	-45.6	173.2	-68.3	157.7	-160.9	0	0	112.2	P450 I454 N455 E456	P450-E452 PolarHBondContact O-N 3.3Å; E452-I454 VanDerWaalsContact C-N 3.31Å; E452-I454 PolarHBondContact O-N 2.76Å; E452-N455 WeakPolarHBondContact O-CB 3.34Å; E452-N455 PolarHBondContact O-N 3.25Å; E452-N455 VanDerWaalsContact O-N 3.16Å; E452-E456 PolarHBondContact O-N 3.08Å
453	L	68.1	Low	57.7	Low	46 Å²	46	93.9 Å²	93.9	24%	0.241	51%	0.51	C	S	.	.	H	α-helix	trans	-68.8	-31.5	178.2	-177.5	62.3	0	0	0	111.9	I449 P450 E456 V457 L673	I449-L453 HydrophobicContact CG2-CB 4.48Å; I449-L453 HydrophobicContact CG2-CD2 4.13Å; P450-L453 HydrophobicContact CB-CB 4.44Å; P450-L453 PolarHBondContact O-N 2.6Å; L453-E456 WeakPolarHBondContact CD1-OE2 3.5Å; L453-V457 WeakPolarHBondContact O-CB 3.42Å; L453-V457 VanDerWaalsContact O-CG2 3.32Å; L453-V457 WeakPolarHBondContact O-CG2 3.37Å; L453-V457 PolarHBondContact O-N 2.86Å; L453-L673 HydrophobicContact CD2-CD2 3.84Å; L453-L673 HydrophobicContact CG-CD2 3.86Å
454	I	69.4	Low	58.3	Low	37 Å²	37	93.6 Å²	93.6	19%	0.19	51%	0.508	C	S	.	.	H	α-helix	trans	-67.2	-40.8	171.8	-64.5	170.2	0	0	0	110.1	I449 P450 M451 E452 V457 M458	I449-I454 HydrophobicContact CB-CD1 4.33Å; I449-I454 HydrophobicContact CB-CG1 4.5Å; I449-I454 HydrophobicContact CG2-CD1 4.28Å; I449-I454 HydrophobicContact CG2-CG1 3.91Å; P450-I454 PolarHBondContact O-N 3.1Å; M451-I454 HydrophobicContact CE-CB 4.07Å; M451-I454 HydrophobicContact CE-CD1 3.78Å; M451-I454 HydrophobicContact CE-CG2 3.9Å; M451-I454 PolarHBondContact O-N 2.91Å; M451-I454 HydrophobicContact SD-CD1 4.43Å; E452-I454 VanDerWaalsContact C-N 3.31Å; E452-I454 PolarHBondContact O-N 2.76Å; I454-V457 PolarHBondContact O-N 2.73Å; I454-M458 HydrophobicContact CG2-CG 4.47Å; I454-M458 WeakPolarHBondContact O-CB 3.3Å; I454-M458 VanDerWaalsContact O-CG 3.26Å; I454-M458 WeakPolarHBondContact O-CG 3.24Å; I454-M458 PolarHBondContact O-N 2.82Å
455	N	70.9	Confident	58.8	Low	98 Å²	98	86 Å²	86	52%	0.524	50%	0.496	S	S	.	.	H	α-helix	trans	-67	-39.5	176.9	-66.5	-14.8	0	0	0	112.2	M451 E452 M458 S459	M451-N455 VanDerWaalsContact O-CG 3.24Å; M451-N455 PolarHBondContact O-N 3.09Å; M451-N455 PolarHBondContact O-OD1 2.98Å; E452-N455 WeakPolarHBondContact O-CB 3.34Å; E452-N455 PolarHBondContact O-N 3.25Å; E452-N455 VanDerWaalsContact O-N 3.16Å; N455-M458 PolarHBondContact O-N 3.07Å; N455-S459 PolarHBondContact O-N 3.18Å
456	E	68.9	Low	59.1	Low	83 Å²	83	84.9 Å²	84.9	39%	0.388	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-38.3	174.6	-164.8	-159.5	158.1	0	0	112.5	E452 L453 S459 T460 R676	E452-E456 PolarHBondContact O-N 3.08Å; L453-E456 WeakPolarHBondContact CD1-OE2 3.5Å; E456-S459 PolarHBondContact O-OG 3.47Å; E456-T460 PolarHBondContact O-N 3.06Å; E456-T460 PolarHBondContact O-OG1 3.29Å; E456-R676 VanDerWaalsContact CD-NH1 3.26Å; E456-R676 IonicContact OE1-CZ 3.94Å; E456-R676 IonicContact OE1-NH1 2.7Å; E456-R676 PolarHBondContact OE1-NH1 2.64Å; E456-R676 IonicContact OE1-NH2 3.15Å; E456-R676 PolarHBondContact OE1-NH2 3.39Å; E456-R676 IonicContact OE2-CZ 2.82Å; E456-R676 IonicContact OE2-NH1 3.55Å; E456-R676 PolarHBondContact OE2-NH1 2.84Å; E456-R676 IonicContact OE2-NH2 2.78Å; E456-R676 PolarHBondContact OE2-NH2 2.73Å
457	V	66.4	Low	59.7	Low	4 Å²	4	81 Å²	81	2%	0.024	48%	0.478	C	S	.	.	H	α-helix	trans	-71.9	-34.5	173	166.6	0	0	0	0	111.4	L453 I454 T460 I461 I669 K672 L673	L453-V457 WeakPolarHBondContact O-CB 3.42Å; L453-V457 VanDerWaalsContact O-CG2 3.32Å; L453-V457 WeakPolarHBondContact O-CG2 3.37Å; L453-V457 PolarHBondContact O-N 2.86Å; I454-V457 PolarHBondContact O-N 2.73Å; V457-T460 WeakPolarHBondContact CA-OG1 3.12Å; V457-T460 PolarHBondContact O-OG1 3.03Å; V457-I461 HydrophobicContact CG1-CD1 3.78Å; V457-I461 WeakPolarHBondContact O-CD1 3.41Å; V457-I461 VanDerWaalsContact O-CG1 3.24Å; V457-I461 WeakPolarHBondContact O-CG1 3.45Å; V457-I461 PolarHBondContact O-N 3.14Å; V457-I669 HydrophobicContact CG1-CB 4.31Å; V457-I669 HydrophobicContact CG1-CG1 4.44Å; V457-I669 HydrophobicContact CG1-CG2 4Å; V457-K672 HydrophobicContact CG1-CB 3.54Å; V457-K672 HydrophobicContact CG1-CG 4.28Å; V457-K672 HydrophobicContact CG2-CB 4.5Å; V457-L673 HydrophobicContact CG2-CD2 3.92Å; V457-L673 HydrophobicContact CG2-CG 4.31Å
458	M	64.7	Low	59	Low	60 Å²	60	85.9 Å²	85.9	30%	0.296	49%	0.487	S	S	.	.	H	α-helix	trans	-66.8	-44.1	176	-82.3	-69.8	-68.7	0	0	112.2	I454 N455 T460 I461 T462 I669	I454-M458 HydrophobicContact CG2-CG 4.47Å; I454-M458 WeakPolarHBondContact O-CB 3.3Å; I454-M458 VanDerWaalsContact O-CG 3.26Å; I454-M458 WeakPolarHBondContact O-CG 3.24Å; I454-M458 PolarHBondContact O-N 2.82Å; N455-M458 PolarHBondContact O-N 3.07Å; M458-T460 VanDerWaalsContact C-N 3.32Å; M458-T460 PolarHBondContact O-N 2.87Å; M458-I461 PolarHBondContact O-N 2.87Å; M458-I461 VanDerWaalsContact O-N 3.08Å; M458-T462 PolarHBondContact O-N 3.23Å; M458-T462 VanDerWaalsContact O-N 3.1Å; M458-T462 PolarHBondContact O-OG1 2.7Å; M458-I669 HydrophobicContact CG-CD1 4.29Å; M458-I669 HydrophobicContact CG-CG1 4.37Å; M458-I669 HydrophobicContact SD-CD1 3.62Å; M458-I669 HydrophobicContact SD-CG1 3.83Å
459	S	66.9	Low	58.1	Low	68 Å²	68	82.6 Å²	82.6	48%	0.476	48%	0.48	S	S	.	.	H	α-helix	trans	-61.6	-40.6	178.7	61.9	0	0	0	0	112	N455 E456 I461 T462	N455-S459 PolarHBondContact O-N 3.18Å; E456-S459 PolarHBondContact O-OG 3.47Å; S459-I461 VanDerWaalsContact C-N 3.28Å; S459-I461 PolarHBondContact O-N 3.46Å; S459-T462 WeakPolarHBondContact CA-OG1 3.36Å; S459-T462 PolarHBondContact O-N 3.45Å; S459-T462 PolarHBondContact O-OG1 2.7Å
460	T	63.6	Low	56.9	Low	81 Å²	81	84.7 Å²	84.7	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-73.4	-10.5	174.9	44.6	0	0	0	0	114.9	E456 V457 M458	E456-T460 PolarHBondContact O-N 3.06Å; E456-T460 PolarHBondContact O-OG1 3.29Å; V457-T460 WeakPolarHBondContact CA-OG1 3.12Å; V457-T460 PolarHBondContact O-OG1 3.03Å; M458-T460 VanDerWaalsContact C-N 3.32Å; M458-T460 PolarHBondContact O-N 2.87Å
461	I	60	Low	55.3	Low	30 Å²	30	86.4 Å²	86.4	15%	0.154	50%	0.5	C	S	.	.	H	α-helix	trans	-89.9	-27	169	-70	163.7	0	0	0	111.3	V457 M458 S459 E668 I669 K672	V457-I461 HydrophobicContact CG1-CD1 3.78Å; V457-I461 WeakPolarHBondContact O-CD1 3.41Å; V457-I461 VanDerWaalsContact O-CG1 3.24Å; V457-I461 WeakPolarHBondContact O-CG1 3.45Å; V457-I461 PolarHBondContact O-N 3.14Å; M458-I461 PolarHBondContact O-N 2.87Å; M458-I461 VanDerWaalsContact O-N 3.08Å; S459-I461 VanDerWaalsContact C-N 3.28Å; S459-I461 PolarHBondContact O-N 3.46Å; I461-E668 HydrophobicContact CD1-CB 4.48Å; I461-E668 HydrophobicContact CD1-CG 4.07Å; I461-E668 HydrophobicContact CG1-CG 4.3Å; I461-E668 HydrophobicContact CG2-CG 4.33Å; I461-I669 HydrophobicContact CD1-CG1 3.91Å; I461-K672 HydrophobicContact CD1-CG 4.14Å; I461-K672 HydrophobicContact CG1-CG 4.13Å
462	T	57	Low	53.9	Low	102 Å²	102	86.2 Å²	86.2	63%	0.626	51%	0.506	S	S	*	.	S	Bend	trans	-83.6	-5.3	179.6	41.7	0	0	0	0	115.5	M458 S459 P464	M458-T462 PolarHBondContact O-N 3.23Å; M458-T462 VanDerWaalsContact O-N 3.1Å; M458-T462 PolarHBondContact O-OG1 2.7Å; S459-T462 WeakPolarHBondContact CA-OG1 3.36Å; S459-T462 PolarHBondContact O-N 3.45Å; S459-T462 PolarHBondContact O-OG1 2.7Å; T462-P464 VanDerWaalsContact O-CD 3.3Å; T462-P464 WeakPolarHBondContact O-CD 3.38Å
463	D	47.7	Very low	52.3	Low	80 Å²	80	85.3 Å²	85.3	43%	0.428	51%	0.506	S	S	.	.			trans	-70.9	116.5	177.6	-174.5	-11.8	0	0	0	111.6	A465 A466	D463-A465 PolarHBondContact O-N 3.2Å; D463-A465 WeakPolarHBondContact OD1-CB 3.3Å; D463-A465 PolarHBondContact OD1-N 2.91Å; D463-A466 PolarHBondContact O-N 2.97Å
464	P	45.9	Very low	51	Low	110 Å²	110	90.1 Å²	90.1	71%	0.714	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-61.2	-27.8	178.7	-22.3	34.7	0	0	0	114.1	T462 A466 M467	T462-P464 VanDerWaalsContact O-CD 3.3Å; T462-P464 WeakPolarHBondContact O-CD 3.38Å; P464-A466 VanDerWaalsContact C-N 3.28Å; P464-A466 PolarHBondContact O-N 3.19Å; P464-M467 PolarHBondContact O-N 2.9Å
465	A	42.8	Very low	49.7	Very low	79 Å²	79	92.6 Å²	92.6	65%	0.653	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-68.9	-26.7	-177.1	0	0	0	0	0	112.7	D463	D463-A465 PolarHBondContact O-N 3.2Å; D463-A465 WeakPolarHBondContact OD1-CB 3.3Å; D463-A465 PolarHBondContact OD1-N 2.91Å
466	A	44.8	Very low	48.9	Very low	76 Å²	76	91.3 Å²	91.3	63%	0.628	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-85.8	-7	-177.1	0	0	0	0	0	114.4	D463 P464 L468	D463-A466 PolarHBondContact O-N 2.97Å; P464-A466 VanDerWaalsContact C-N 3.28Å; P464-A466 PolarHBondContact O-N 3.19Å; A466-L468 VanDerWaalsContact C-N 3.34Å; A466-L468 PolarHBondContact O-N 3.41Å
467	M	40.5	Very low	48	Very low	116 Å²	116	90.2 Å²	90.2	57%	0.571	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-80.3	-3.4	-171.5	-79	-108.4	69.6	0	0	115.4	P464 G469	P464-M467 PolarHBondContact O-N 2.9Å; M467-G469 VanDerWaalsContact C-N 3.33Å; M467-G469 PolarHBondContact O-N 2.82Å
468	L	34.3	Very low	47.2	Very low	172 Å²	172	94.7 Å²	94.7	90%	0.901	56%	0.563	S	S	*	*			trans	-82.3	68.4	-177.2	-67.5	175.6	0	0	0	113.1	A466	A466-L468 VanDerWaalsContact C-N 3.34Å; A466-L468 PolarHBondContact O-N 3.41Å
469	G	35.9	Very low	47	Very low	46 Å²	46	93 Å²	93	47%	0.474	56%	0.557	S	S	.	*	S	Bend	trans	-142.7	142.5	175.8	0	0	0	0	0	113.9	M467 E471	M467-G469 VanDerWaalsContact C-N 3.33Å; M467-G469 PolarHBondContact O-N 2.82Å; G469-E471 PolarHBondContact O-N 2.98Å
470	P	37.7	Very low	46.7	Very low	128 Å²	128	92 Å²	92	83%	0.831	55%	0.553	S	S	*	*			trans	-79.7	50.5	-172.4	33.7	-37.6	0	0	0	114.4
471	E	40.8	Very low	47	Very low	114 Å²	114	92.8 Å²	92.8	53%	0.533	55%	0.547	S	S	.	.			trans	-96.5	12.6	-177.5	-77.9	-133.1	179.9	0	0	115.4	G469 N473 K671	G469-E471 PolarHBondContact O-N 2.98Å; E471-N473 PolarHBondContact O-N 2.83Å; E471-N473 VanDerWaalsContact O-N 3.11Å; E471-K671 IonicContact OE1-NZ 2.73Å; E471-K671 PolarHBondContact OE1-NZ 3.33Å; E471-K671 IonicContact OE2-NZ 2.74Å; E471-K671 PolarHBondContact OE2-NZ 3.17Å
472	T	37.2	Very low	47.6	Very low	117 Å²	117	91.5 Å²	91.5	72%	0.718	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-64	-16.1	178.9	50.2	0	0	0	0	114.8	F474	T472-F474 VanDerWaalsContact C-N 3.34Å; T472-F474 PolarHBondContact O-N 2.67Å
473	N	35.7	Very low	48.7	Very low	144 Å²	144	89.7 Å²	89.7	77%	0.77	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-81.4	7.1	-172.9	-87.6	-40.6	0	0	0	116.3	E471	E471-N473 PolarHBondContact O-N 2.83Å; E471-N473 VanDerWaalsContact O-N 3.11Å
474	F	39.2	Very low	50.4	Low	147 Å²	147	87.9 Å²	87.9	65%	0.645	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-107.8	26.3	-177.8	-78.2	-67.8	0	0	0	115.6	T472 K667	T472-F474 VanDerWaalsContact C-N 3.34Å; T472-F474 PolarHBondContact O-N 2.67Å; F474-K667 PolarHBondContact O-NZ 2.74Å
475	L	43.4	Very low	52.3	Low	89 Å²	89	82.7 Å²	82.7	47%	0.466	49%	0.488	S	S	.	.	S	Bend	trans	-87.3	148.3	168.8	-62	-177.3	0	0	0	111.6	A480	L475-A480 HydrophobicContact CD1-CB 4.29Å
476	S	53	Low	54.4	Low	72 Å²	72	79.6 Å²	79.6	50%	0.503	46%	0.459	S	S	.	.			trans	-70.9	148.2	161.5	70.2	0	0	0	0	109.4	H478 S479 A480	S476-H478 PolarHBondContact O-N 3.32Å; S476-H478 VanDerWaalsContact O-N 3.09Å; S476-S479 PolarHBondContact O-N 2.78Å; S476-S479 PolarHBondContact OG-N 3.13Å; S476-A480 PolarHBondContact O-N 2.8Å
477	A	49.8	Very low	56.4	Low	60 Å²	60	79.5 Å²	79.5	50%	0.496	45%	0.447	S	S	.	.	H	α-helix	trans	-56.4	-30.1	179	0	0	0	0	0	112.6	R481	A477-R481 WeakPolarHBondContact O-CD 3.37Å; A477-R481 WeakPolarHBondContact O-CG 3.25Å; A477-R481 PolarHBondContact O-N 3.44Å
478	H	51.4	Low	58.8	Low	97 Å²	97	76.5 Å²	76.5	45%	0.449	43%	0.432	S	S	.	.	H	α-helix	trans	-68.5	-40.7	174.7	-63.2	79.4	0	0	0	113	S476 R481 D482	S476-H478 PolarHBondContact O-N 3.32Å; S476-H478 VanDerWaalsContact O-N 3.09Å; H478-R481 PolarHBondContact O-N 3.41Å; H478-D482 WeakPolarHBondContact O-CB 3.39Å; H478-D482 PolarHBondContact O-N 2.76Å
479	S	59.4	Low	61.5	Low	24 Å²	24	71 Å²	71	17%	0.168	40%	0.402	C	S	.	.	H	α-helix	trans	-66.9	-40	177.8	176.2	0	0	0	0	112	S476 R481 D482 E483	S476-S479 PolarHBondContact O-N 2.78Å; S476-S479 PolarHBondContact OG-N 3.13Å; S479-R481 VanDerWaalsContact C-N 3.34Å; S479-R481 PolarHBondContact O-N 3.06Å; S479-D482 PolarHBondContact O-N 2.78Å; S479-E483 PolarHBondContact O-N 3.25Å
480	A	61.2	Low	64	Low	47 Å²	47	75.8 Å²	75.8	39%	0.388	41%	0.406	S	S	.	.	H	α-helix	trans	-65.6	-35	175.8	0	0	0	0	0	113.1	L475 S476 A484	L475-A480 HydrophobicContact CD1-CB 4.29Å; S476-A480 PolarHBondContact O-N 2.8Å; A480-A484 PolarHBondContact O-N 3.34Å
481	R	69.1	Low	66.6	Low	99 Å²	99	78.3 Å²	78.3	37%	0.374	40%	0.399	S	S	.	.	H	α-helix	trans	-72.8	-40.4	177.1	-74	164	178.6	-167.6	1.3	112.7	A477 H478 S479 E483 A484 A485 V582 K583	A477-R481 WeakPolarHBondContact O-CD 3.37Å; A477-R481 WeakPolarHBondContact O-CG 3.25Å; A477-R481 PolarHBondContact O-N 3.44Å; H478-R481 PolarHBondContact O-N 3.41Å; S479-R481 VanDerWaalsContact C-N 3.34Å; S479-R481 PolarHBondContact O-N 3.06Å; R481-E483 VanDerWaalsContact C-N 3.35Å; R481-A484 PolarHBondContact O-N 3.33Å; R481-A485 PolarHBondContact O-N 3.09Å; R481-V582 VanDerWaalsContact CD-O 3.24Å; R481-V582 WeakPolarHBondContact CD-O 3.29Å; R481-V582 PolarHBondContact NE-O 2.88Å; R481-V582 PolarHBondContact NH1-O 2.99Å; R481-K583 WeakPolarHBondContact CB-O 3Å
482	D	73.9	Confident	68.9	Low	3 Å²	3	75.6 Å²	75.6	2%	0.016	40%	0.401	C	S	.	.	H	α-helix	trans	-62.4	-40.8	173.9	177.1	83	0	0	0	111.6	H478 S479 A484 A485 R486 N591 S660	H478-D482 WeakPolarHBondContact O-CB 3.39Å; H478-D482 PolarHBondContact O-N 2.76Å; S479-D482 PolarHBondContact O-N 2.78Å; D482-A484 PolarHBondContact O-N 2.93Å; D482-A485 PolarHBondContact O-N 3.31Å; D482-R486 WeakPolarHBondContact O-CB 3.26Å; D482-R486 PolarHBondContact O-N 2.95Å; D482-R486 VanDerWaalsContact O-N 3.09Å; D482-R486 IonicContact OD1-NH2 3.71Å; D482-R486 IonicContact OD2-CZ 2.64Å; D482-R486 VanDerWaalsContact OD2-CZ 3.24Å; D482-R486 IonicContact OD2-NH1 3.7Å; D482-R486 PolarHBondContact OD2-NH1 3.38Å; D482-R486 IonicContact OD2-NH2 3.83Å; D482-R486 PolarHBondContact OD2-NH2 3.44Å; D482-N591 PolarHBondContact OD1-ND2 2.79Å; D482-S660 VanDerWaalsContact OD2-CB 3.25Å; D482-S660 WeakPolarHBondContact OD2-CB 3.44Å; D482-S660 PolarHBondContact OD2-OG 3.25Å
483	E	78.6	Confident	71.6	Confident	63 Å²	63	72.4 Å²	72.4	29%	0.294	38%	0.382	S	S	.	.	H	α-helix	trans	-66.9	-32.1	174.6	-166.8	59.7	-151.7	0	0	113.4	S479 R481 R486 L487 R490	S479-E483 PolarHBondContact O-N 3.25Å; R481-E483 VanDerWaalsContact C-N 3.35Å; E483-R486 PolarHBondContact O-N 3.4Å; E483-R486 IonicContact OE2-CZ 3.08Å; E483-R486 IonicContact OE2-NE 3.68Å; E483-R486 IonicContact OE2-NH1 4Å; E483-R486 PolarHBondContact OE2-NH1 2.9Å; E483-L487 WeakPolarHBondContact O-CB 3.48Å; E483-L487 PolarHBondContact O-N 3.2Å; E483-R490 IonicContact OE1-CZ 2.74Å; E483-R490 IonicContact OE1-NH1 2.64Å; E483-R490 IonicContact OE1-NH2 2.73Å; E483-R490 PolarHBondContact OE1-NH2 3.31Å
484	A	83.8	Confident	74.4	Confident	43 Å²	43	65.8 Å²	65.8	36%	0.355	35%	0.346	S	S	.	.	H	α-helix	trans	-64.8	-47.4	175.1	0	0	0	0	0	111.8	A480 R481 D482 R486 L487 E488	A480-A484 PolarHBondContact O-N 3.34Å; R481-A484 PolarHBondContact O-N 3.33Å; D482-A484 PolarHBondContact O-N 2.93Å; A484-R486 PolarHBondContact O-N 2.99Å; A484-L487 PolarHBondContact O-N 3.09Å; A484-L487 VanDerWaalsContact O-N 3.12Å; A484-E488 PolarHBondContact O-N 3.41Å
485	A	86.9	Confident	77	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-60.7	-42.5	174.5	0	0	0	0	0	112.1	R481 D482 L487 E488 E489 I494 Y585 H588	R481-A485 PolarHBondContact O-N 3.09Å; D482-A485 PolarHBondContact O-N 3.31Å; A485-L487 VanDerWaalsContact C-N 3.28Å; A485-L487 PolarHBondContact O-N 2.85Å; A485-E488 PolarHBondContact O-N 3.23Å; A485-E489 PolarHBondContact O-N 3.09Å; A485-I494 WeakPolarHBondContact O-CD1 3.38Å; A485-Y585 HydrophobicContact CB-CD1 3.83Å; A485-Y585 HydrophobicContact CB-CE1 4.23Å; A485-H588 HydrophobicContact CB-CB 3.96Å
486	R	86.3	Confident	79.5	Confident	13 Å²	13	60 Å²	60	5%	0.049	32%	0.318	C	S	.	.	H	α-helix	trans	-62.1	-31.5	173.8	-172.6	-174.6	-70.6	93.1	18.2	112.9	D482 E483 A484 R490 T657	D482-R486 WeakPolarHBondContact O-CB 3.26Å; D482-R486 PolarHBondContact O-N 2.95Å; D482-R486 VanDerWaalsContact O-N 3.09Å; D482-R486 IonicContact OD1-NH2 3.71Å; D482-R486 IonicContact OD2-CZ 2.64Å; D482-R486 VanDerWaalsContact OD2-CZ 3.24Å; D482-R486 IonicContact OD2-NH1 3.7Å; D482-R486 PolarHBondContact OD2-NH1 3.38Å; D482-R486 IonicContact OD2-NH2 3.83Å; D482-R486 PolarHBondContact OD2-NH2 3.44Å; E483-R486 PolarHBondContact O-N 3.4Å; E483-R486 IonicContact OE2-CZ 3.08Å; E483-R486 IonicContact OE2-NE 3.68Å; E483-R486 IonicContact OE2-NH1 4Å; E483-R486 PolarHBondContact OE2-NH1 2.9Å; A484-R486 PolarHBondContact O-N 2.99Å; R486-R490 WeakPolarHBondContact O-CG 3.3Å; R486-R490 PolarHBondContact O-N 2.96Å; R486-R490 PolarHBondContact O-NE 3.21Å; R486-T657 VanDerWaalsContact CZ-O 3.24Å; R486-T657 PolarHBondContact NE-O 2.64Å; R486-T657 PolarHBondContact NH2-O 3.06Å
487	L	86.2	Confident	81.5	Confident	74 Å²	74	59.5 Å²	59.5	39%	0.387	31%	0.308	S	S	.	.	H	α-helix	trans	-76.3	-35.7	175.3	-174.2	62.2	0	0	0	112.6	E483 A484 A485 R491	E483-L487 WeakPolarHBondContact O-CB 3.48Å; E483-L487 PolarHBondContact O-N 3.2Å; A484-L487 PolarHBondContact O-N 3.09Å; A484-L487 VanDerWaalsContact O-N 3.12Å; A485-L487 VanDerWaalsContact C-N 3.28Å; A485-L487 PolarHBondContact O-N 2.85Å; L487-R491 VanDerWaalsContact O-CG 3.26Å; L487-R491 WeakPolarHBondContact O-CG 3.38Å; L487-R491 PolarHBondContact O-N 2.89Å
488	E	90.7	Very high	83.7	Confident	53 Å²	53	59.4 Å²	59.4	25%	0.248	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-39.4	172.3	-74.6	-178.8	-160.5	0	0	112.1	A484 A485 R491 G492 V493 I494 Y585	A484-E488 PolarHBondContact O-N 3.41Å; A485-E488 PolarHBondContact O-N 3.23Å; E488-R491 CarbonylContact O-C 3.48Å; E488-R491 PolarHBondContact O-N 3.02Å; E488-G492 PolarHBondContact O-N 3.01Å; E488-V493 HydrophobicContact CB-CB 4.19Å; E488-V493 PolarHBondContact O-N 3.16Å; E488-I494 HydrophobicContact CB-CD1 4.25Å; E488-I494 HydrophobicContact CB-CG1 4.19Å; E488-I494 HydrophobicContact CB-CG2 4.32Å; E488-Y585 VanDerWaalsContact CD-OH 3.31Å; E488-Y585 PolarHBondContact OE1-OH 3.23Å; E488-Y585 VanDerWaalsContact OE2-CE1 3.29Å; E488-Y585 WeakPolarHBondContact OE2-CE1 3.15Å; E488-Y585 VanDerWaalsContact OE2-CZ 3.31Å; E488-Y585 PolarHBondContact OE2-OH 2.99Å
489	E	91.2	Very high	85.7	Confident	58 Å²	58	55.1 Å²	55.1	27%	0.271	28%	0.281	S	S	.	.	H	α-helix	trans	-63.8	-47.6	174.8	-178.1	175.1	-150.5	0	0	111.5	A485 R491 G492 I494 F496 H588 H592	A485-E489 PolarHBondContact O-N 3.09Å; E489-R491 PolarHBondContact O-N 3.02Å; E489-G492 PolarHBondContact O-N 3.37Å; E489-I494 HydrophobicContact CB-CD1 4.18Å; E489-I494 HydrophobicContact CB-CG1 3.82Å; E489-F496 WeakPolarHBondContact OE1-CD2 3.28Å; E489-H588 IonicContact OE2-CD2 3.71Å; E489-H588 IonicContact OE2-CE1 3.51Å; E489-H588 PolarHBondContact OE2-CE1 2.87Å; E489-H588 IonicContact OE2-NE2 2.66Å; E489-H588 PolarHBondContact OE2-NE2 3.45Å; E489-H592 IonicContact OE1-CE1 3.94Å; E489-H592 PolarHBondContact OE1-CE1 3.13Å; E489-H592 IonicContact OE1-NE2 2.66Å; E489-H592 PolarHBondContact OE1-NE2 3.1Å; E489-H592 IonicContact OE2-CE1 3.21Å; E489-H592 IonicContact OE2-NE2 2.9Å; E489-H592 PolarHBondContact OE2-NE2 2.95Å; E489-H592 VanDerWaalsContact OE2-NE2 3.08Å
490	R	88.9	Confident	87.2	Confident	145 Å²	145	55.2 Å²	55.2	55%	0.547	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-12.7	174.7	-74.7	176.7	-64.7	-163.6	1.3	114.1	E483 R486	E483-R490 IonicContact OE1-CZ 2.74Å; E483-R490 IonicContact OE1-NH1 2.64Å; E483-R490 IonicContact OE1-NH2 2.73Å; E483-R490 PolarHBondContact OE1-NH2 3.31Å; R486-R490 WeakPolarHBondContact O-CG 3.3Å; R486-R490 PolarHBondContact O-N 2.96Å; R486-R490 PolarHBondContact O-NE 3.21Å
491	R	91.3	Very high	88.5	Confident	182 Å²	182	55 Å²	55	69%	0.687	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-1.5	173.7	-72.5	172.5	175.2	-166.8	-2.3	113.4	L487 E488 E489 V493	L487-R491 VanDerWaalsContact O-CG 3.26Å; L487-R491 WeakPolarHBondContact O-CG 3.38Å; L487-R491 PolarHBondContact O-N 2.89Å; E488-R491 CarbonylContact O-C 3.48Å; E488-R491 PolarHBondContact O-N 3.02Å; E489-R491 PolarHBondContact O-N 3.02Å; R491-V493 HydrophobicContact CB-CG2 4Å; R491-V493 PolarHBondContact O-N 3.27Å
492	G	90.1	Very high	89.1	Confident	57 Å²	57	52.8 Å²	52.8	59%	0.588	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	14.6	-175.5	0	0	0	0	0	114.7	E488 E489	E488-G492 PolarHBondContact O-N 3.01Å; E489-G492 PolarHBondContact O-N 3.37Å
493	V	93.1	Very high	89.4	Confident	50 Å²	50	59 Å²	59	30%	0.303	31%	0.311	S	S	.	.	S	Bend	trans	-76.3	-32.6	178.5	177	0	0	0	0	111	E488 R491 K550 D551	E488-V493 HydrophobicContact CB-CB 4.19Å; E488-V493 PolarHBondContact O-N 3.16Å; R491-V493 HydrophobicContact CB-CG2 4Å; R491-V493 PolarHBondContact O-N 3.27Å; V493-K550 HydrophobicContact CG1-CG 4.37Å; V493-K550 WeakPolarHBondContact O-CA 3.46Å; V493-D551 PolarHBondContact O-N 2.84Å
494	I	94.8	Very high	89.3	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.6	174.3	69.1	177.5	0	0	0	111.4	A485 E488 E489 F496 L548 I549 K550 Y585	A485-I494 WeakPolarHBondContact O-CD1 3.38Å; E488-I494 HydrophobicContact CB-CD1 4.25Å; E488-I494 HydrophobicContact CB-CG1 4.19Å; E488-I494 HydrophobicContact CB-CG2 4.32Å; E489-I494 HydrophobicContact CB-CD1 4.18Å; E489-I494 HydrophobicContact CB-CG1 3.82Å; I494-F496 HydrophobicContact CD1-CE2 3.99Å; I494-F496 HydrophobicContact CD1-CZ 4.27Å; I494-F496 HydrophobicContact CG1-CE2 4.37Å; I494-L548 HydrophobicContact CB-CD1 3.91Å; I494-L548 HydrophobicContact CD1-CD1 4.19Å; I494-L548 HydrophobicContact CG1-CD1 4.41Å; I494-L548 HydrophobicContact CG2-CD1 4.48Å; I494-I549 CarbonylContact C-O 3.52Å; I494-I549 WeakPolarHBondContact CA-O 3.33Å; I494-K550 HydrophobicContact CG2-CB 3.91Å; I494-K550 HydrophobicContact CG2-CD 3.98Å; I494-K550 HydrophobicContact CG2-CG 3.85Å; I494-Y585 HydrophobicContact CD1-CD1 4.04Å; I494-Y585 HydrophobicContact CD1-CE1 3.99Å; I494-Y585 HydrophobicContact CG2-CE1 4.16Å
495	E	94.7	Very high	88.8	Confident	81 Å²	81	68.4 Å²	68.4	38%	0.379	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.2	176.8	-53.1	178.6	162.3	0	0	110.6	H497 I549	E495-H497 WeakPolarHBondContact CB-NE2 3.32Å; E495-H497 IonicContact OE2-CD2 2.71Å; E495-H497 IonicContact OE2-CE1 3.71Å; E495-H497 IonicContact OE2-NE2 3.19Å; E495-H497 PolarHBondContact OE2-NE2 3.33Å; E495-I549 HydrophobicContact CB-CB 4.33Å; E495-I549 PolarHBondContact N-O 2.88Å; E495-I549 PolarHBondContact O-N 3.09Å
496	F	95.3	Very high	88.2	Confident	33 Å²	33	78 Å²	78	15%	0.145	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.2	174.4	-68.8	-88.1	0	0	0	110.8	E489 I494 L546 A547 L548 H588 L589 H592	E489-F496 WeakPolarHBondContact OE1-CD2 3.28Å; I494-F496 HydrophobicContact CD1-CE2 3.99Å; I494-F496 HydrophobicContact CD1-CZ 4.27Å; I494-F496 HydrophobicContact CG1-CE2 4.37Å; F496-L546 HydrophobicContact CB-CD1 4.32Å; F496-A547 WeakPolarHBondContact CA-O 3.33Å; F496-L548 HydrophobicContact CD1-CB 4.47Å; F496-L548 HydrophobicContact CD1-CD1 4.14Å; F496-L548 HydrophobicContact CE1-CB 4.24Å; F496-L548 HydrophobicContact CE1-CD1 3.69Å; F496-L548 HydrophobicContact CE1-CD2 4.44Å; F496-L548 HydrophobicContact CE1-CG 4.33Å; F496-L548 HydrophobicContact CE2-CD1 4.09Å; F496-L548 HydrophobicContact CZ-CD1 3.67Å; F496-H588 AromaticContact CE2-CD2 3.56Å; F496-H588 AromaticContact CE2-NE2 3.88Å; F496-H588 HydrophobicContact CZ-CB 4.37Å; F496-H588 AromaticContact CZ-CD2 3.53Å; F496-L589 HydrophobicContact CD1-CD1 3.86Å; F496-L589 HydrophobicContact CE1-CB 3.95Å; F496-L589 HydrophobicContact CE1-CD1 3.77Å; F496-L589 HydrophobicContact CE1-CG 4.48Å; F496-H592 HydrophobicContact CD1-CB 4.34Å; F496-H592 AromaticContact CD1-CD2 3.99Å; F496-H592 AromaticContact CD2-CD2 3.5Å; F496-H592 AromaticContact CD2-NE2 3.41Å; F496-H592 WeakPolarHBondContact CD2-NE2 3.25Å; F496-H592 AromaticContact CE1-CD2 3.96Å; F496-H592 AromaticContact CE2-CD2 3.48Å; F496-H592 VanDerWaalsContact CE2-CD2 3.48Å; F496-H592 WeakPolarHBondContact CE2-CD2 3.31Å; F496-H592 AromaticContact CE2-NE2 3.54Å; F496-H592 AromaticContact CG-CD2 3.76Å; F496-H592 AromaticContact CZ-CD2 3.7Å
497	H	94.9	Very high	87.3	Confident	62 Å²	62	81.8 Å²	81.8	29%	0.287	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124	-177.4	-67.9	-86.6	0	0	0	111.6	E495 V499 W514 A547	E495-H497 WeakPolarHBondContact CB-NE2 3.32Å; E495-H497 IonicContact OE2-CD2 2.71Å; E495-H497 IonicContact OE2-CE1 3.71Å; E495-H497 IonicContact OE2-NE2 3.19Å; E495-H497 PolarHBondContact OE2-NE2 3.33Å; H497-V499 HydrophobicContact CB-CG1 4.27Å; H497-V499 PolarHBondContact O-N 2.89Å; H497-W514 HydrophobicContact CB-CH2 4.33Å; H497-W514 HydrophobicContact CB-CZ3 3.99Å; H497-W514 AromaticContact CD2-CH2 3.48Å; H497-W514 VanDerWaalsContact CD2-CH2 3.48Å; H497-W514 WeakPolarHBondContact CD2-CH2 3.28Å; H497-W514 AromaticContact CE1-CH2 3.77Å; H497-W514 AromaticContact CG-CH2 3.62Å; H497-W514 AromaticContact CG-CZ3 3.71Å; H497-W514 AromaticContact ND1-CH2 3.79Å; H497-W514 AromaticContact ND1-CZ3 3.93Å; H497-W514 AromaticContact NE2-CH2 3.56Å; H497-A547 PolarHBondContact N-O 3.04Å; H497-A547 WeakPolarHBondContact O-CB 3.47Å; H497-A547 PolarHBondContact O-N 3.18Å
498	V	95.1	Very high	87.2	Confident	58 Å²	58	82.6 Å²	82.6	35%	0.352	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	106.3	169.3	179.9	0	0	0	0	108.7	K544 L546 F560 Y596	V498-K544 HydrophobicContact CG1-CB 4.2Å; V498-K544 HydrophobicContact CG1-CD 4.06Å; V498-L546 HydrophobicContact CG2-CD1 3.69Å; V498-F560 HydrophobicContact CG1-CZ 4.28Å; V498-Y596 HydrophobicContact CB-CE2 4.49Å; V498-Y596 HydrophobicContact CG1-CE1 4.41Å; V498-Y596 HydrophobicContact CG1-CE2 4.39Å; V498-Y596 HydrophobicContact CG2-CD1 4.49Å; V498-Y596 HydrophobicContact CG2-CD2 3.92Å; V498-Y596 HydrophobicContact CG2-CE2 3.98Å; V498-Y596 HydrophobicContact CG2-CG 4.2Å
499	V	94.2	Very high	86.9	Confident	7 Å²	7	88 Å²	88	4%	0.042	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	157.4	178.8	-65.4	0	0	0	0	111.4	H497 I511 W514 L515 L518 K544 T545 A547	H497-V499 HydrophobicContact CB-CG1 4.27Å; H497-V499 PolarHBondContact O-N 2.89Å; V499-I511 HydrophobicContact CB-CG2 4.06Å; V499-I511 HydrophobicContact CG1-CG2 4.11Å; V499-W514 HydrophobicContact CG1-CE3 3.82Å; V499-W514 HydrophobicContact CG1-CZ3 4.36Å; V499-L515 HydrophobicContact CB-CD2 4.3Å; V499-L515 HydrophobicContact CG2-CD2 3.72Å; V499-L515 HydrophobicContact CG2-CG 4.36Å; V499-L518 HydrophobicContact CG2-CD1 3.69Å; V499-K544 CarbonylContact O-C 3.59Å; V499-K544 WeakPolarHBondContact O-CA 3.46Å; V499-T545 WeakPolarHBondContact CG2-O 3.36Å; V499-T545 PolarHBondContact N-O 3.49Å; V499-T545 PolarHBondContact O-N 3.2Å; V499-A547 HydrophobicContact CG2-CB 4.18Å
500	G	90.9	Very high	86.8	Confident	27 Å²	27	90.3 Å²	90.3	28%	0.278	46%	0.457	S	S	.	.			trans	-163.7	161.5	173.7	0	0	0	0	0	109.9
501	N	88	Confident	86.8	Confident	42 Å²	42	86.1 Å²	86.1	23%	0.225	45%	0.445	C	S	.	.			trans	-78.6	144.3	173.1	-167.7	17.8	0	0	0	110.2	L515 F539	N501-L515 HydrophobicContact CB-CD1 4.47Å; N501-F539 WeakPolarHBondContact CB-O 3.42Å; N501-F539 PolarHBondContact ND2-O 2.93Å
502	S	82.9	Confident	86.8	Confident	53 Å²	53	81 Å²	81	37%	0.371	43%	0.431	S	S	.	.			trans	-135.2	122.1	177.5	-177.7	0	0	0	0	109.5	N504	S502-N504 VanDerWaalsContact C-N 3.33Å
503	L	79.7	Confident	86.9	Confident	133 Å²	133	84.3 Å²	84.3	70%	0.696	43%	0.433	S	S	*	.	S	Bend	trans	-82.8	-15.2	177.6	-55.4	-180	0	0	0	112.3	P541	L503-P541 HydrophobicContact CD1-CG 3.93Å; L503-P541 HydrophobicContact CD2-CG 4.25Å; L503-P541 HydrophobicContact CG-CG 3.73Å
504	N	75.6	Confident	86.9	Confident	154 Å²	154	82.9 Å²	82.9	82%	0.824	42%	0.422	S	S	*	.	S	Bend	trans	-97.4	1.3	-169.4	-60.9	14.9	0	0	0	113	S502	S502-N504 VanDerWaalsContact C-N 3.33Å
505	Q	74.6	Confident	86.9	Confident	149 Å²	149	82.8 Å²	82.8	70%	0.696	42%	0.421	S	S	*	.	S	Bend	trans	-140.8	151.4	-176.5	-67.1	-179.3	-10.6	0	0	110.1
506	K	72.9	Confident	86.9	Confident	202 Å²	202	82.1 Å²	82.1	88%	0.878	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-59.8	127.3	173.9	-75.7	-177.8	176.8	178.3	0	109.4	N508	K506-N508 PolarHBondContact O-N 3.29Å
507	P	68.5	Low	86.9	Confident	93 Å²	93	81.5 Å²	81.5	60%	0.604	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-66.4	119	-171.7	24.8	-33.9	0	0	0	111.1	K509	P507-K509 PolarHBondContact O-N 3.43Å
508	N	82.9	Confident	87	Confident	92 Å²	92	78.5 Å²	78.5	49%	0.492	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-63.8	118.3	174.5	179	-25.5	0	0	0	109.4	K506 K510 I511 L512	K506-N508 PolarHBondContact O-N 3.29Å; N508-K510 PolarHBondContact O-N 2.84Å; N508-K510 VanDerWaalsContact O-N 3.16Å; N508-K510 WeakPolarHBondContact OD1-CB 3.2Å; N508-K510 PolarHBondContact OD1-N 3.32Å; N508-I511 HydrophobicContact CB-CB 4.17Å; N508-I511 HydrophobicContact CB-CD1 3.96Å; N508-I511 HydrophobicContact CB-CG1 3.98Å; N508-I511 PolarHBondContact O-N 3.27Å; N508-L512 PolarHBondContact O-N 3.47Å
509	K	85.8	Confident	87	Confident	166 Å²	166	76.3 Å²	76.3	72%	0.722	40%	0.397	S	S	*	.	H	α-helix	trans	-54.3	-35.5	-177.1	-170.9	173.4	179.6	179.3	0	113.1	P507 M513	P507-K509 PolarHBondContact O-N 3.43Å; K509-M513 HydrophobicContact CG-SD 4.31Å; K509-M513 WeakPolarHBondContact O-CB 3.25Å; K509-M513 VanDerWaalsContact O-CG 3.26Å; K509-M513 WeakPolarHBondContact O-CG 3.29Å; K509-M513 PolarHBondContact O-N 2.86Å
510	K	89.3	Confident	87	Confident	106 Å²	106	78.8 Å²	78.8	46%	0.461	41%	0.411	S	S	.	.	H	α-helix	trans	-66.2	-45.5	176.2	-159.5	-171	-169.3	-161.5	0	111.2	N508 M513 W514	N508-K510 PolarHBondContact O-N 2.84Å; N508-K510 VanDerWaalsContact O-N 3.16Å; N508-K510 WeakPolarHBondContact OD1-CB 3.2Å; N508-K510 PolarHBondContact OD1-N 3.32Å; K510-M513 PolarHBondContact O-N 3.28Å; K510-W514 HydrophobicContact CD-CH2 3.75Å; K510-W514 HydrophobicContact CD-CZ2 3.73Å; K510-W514 HydrophobicContact CD-CZ3 4.21Å; K510-W514 HydrophobicContact CG-CD2 4.23Å; K510-W514 HydrophobicContact CG-CE3 4.41Å; K510-W514 HydrophobicContact CG-CH2 4.29Å; K510-W514 HydrophobicContact CG-CZ2 4.03Å; K510-W514 HydrophobicContact CG-CZ3 4.44Å; K510-W514 VanDerWaalsContact O-CG 3.28Å; K510-W514 PolarHBondContact O-N 3.22Å
511	I	89.2	Confident	87.3	Confident	57 Å²	57	78.1 Å²	78.1	29%	0.292	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-43.5	177.6	-62	-177.7	0	0	0	110.8	V499 N508 W514 L515	V499-I511 HydrophobicContact CB-CG2 4.06Å; V499-I511 HydrophobicContact CG1-CG2 4.11Å; N508-I511 HydrophobicContact CB-CB 4.17Å; N508-I511 HydrophobicContact CB-CD1 3.96Å; N508-I511 HydrophobicContact CB-CG1 3.98Å; N508-I511 PolarHBondContact O-N 3.27Å; I511-W514 HydrophobicContact CG1-CE3 4.46Å; I511-W514 PolarHBondContact O-N 3.3Å; I511-L515 HydrophobicContact CG2-CD1 4.18Å; I511-L515 HydrophobicContact CG2-CG 4.45Å; I511-L515 WeakPolarHBondContact O-CG 3.41Å; I511-L515 PolarHBondContact O-N 3.33Å
512	L	90.1	Very high	87.6	Confident	75 Å²	75	76.1 Å²	76.1	39%	0.393	39%	0.39	S	S	.	.	H	α-helix	trans	-64.6	-42.2	178.7	-167.7	70.8	0	0	0	111.7	N508 W514 L515 V516 F539	N508-L512 PolarHBondContact O-N 3.47Å; L512-W514 VanDerWaalsContact C-N 3.32Å; L512-W514 PolarHBondContact O-N 3.02Å; L512-L515 PolarHBondContact O-N 3.17Å; L512-V516 WeakPolarHBondContact O-CG2 3.4Å; L512-V516 PolarHBondContact O-N 3.09Å; L512-F539 HydrophobicContact CD1-CE1 3.94Å
513	M	91.8	Very high	88.2	Confident	127 Å²	127	75 Å²	75	63%	0.626	38%	0.382	S	S	*	.	H	α-helix	trans	-60.9	-39.3	172.5	-74.4	174.7	65.7	0	0	112.2	K509 K510 V516 G517	K509-M513 HydrophobicContact CG-SD 4.31Å; K509-M513 WeakPolarHBondContact O-CB 3.25Å; K509-M513 VanDerWaalsContact O-CG 3.26Å; K509-M513 WeakPolarHBondContact O-CG 3.29Å; K509-M513 PolarHBondContact O-N 2.86Å; K510-M513 PolarHBondContact O-N 3.28Å; M513-V516 PolarHBondContact O-N 3.19Å; M513-G517 PolarHBondContact O-N 3.48Å
514	W	94.8	Very high	88.8	Confident	19 Å²	19	75.2 Å²	75.2	7%	0.072	38%	0.38	C	S	.	.	H	α-helix	trans	-66.7	-41.6	174.9	-70.2	-25.4	0	0	0	112.8	H497 V499 K510 I511 L512 G517 L518 I549 V554	H497-W514 HydrophobicContact CB-CH2 4.33Å; H497-W514 HydrophobicContact CB-CZ3 3.99Å; H497-W514 AromaticContact CD2-CH2 3.48Å; H497-W514 VanDerWaalsContact CD2-CH2 3.48Å; H497-W514 WeakPolarHBondContact CD2-CH2 3.28Å; H497-W514 AromaticContact CE1-CH2 3.77Å; H497-W514 AromaticContact CG-CH2 3.62Å; H497-W514 AromaticContact CG-CZ3 3.71Å; H497-W514 AromaticContact ND1-CH2 3.79Å; H497-W514 AromaticContact ND1-CZ3 3.93Å; H497-W514 AromaticContact NE2-CH2 3.56Å; V499-W514 HydrophobicContact CG1-CE3 3.82Å; V499-W514 HydrophobicContact CG1-CZ3 4.36Å; K510-W514 HydrophobicContact CD-CH2 3.75Å; K510-W514 HydrophobicContact CD-CZ2 3.73Å; K510-W514 HydrophobicContact CD-CZ3 4.21Å; K510-W514 HydrophobicContact CG-CD2 4.23Å; K510-W514 HydrophobicContact CG-CE3 4.41Å; K510-W514 HydrophobicContact CG-CH2 4.29Å; K510-W514 HydrophobicContact CG-CZ2 4.03Å; K510-W514 HydrophobicContact CG-CZ3 4.44Å; K510-W514 VanDerWaalsContact O-CG 3.28Å; K510-W514 PolarHBondContact O-N 3.22Å; I511-W514 HydrophobicContact CG1-CE3 4.46Å; I511-W514 PolarHBondContact O-N 3.3Å; L512-W514 VanDerWaalsContact C-N 3.32Å; L512-W514 PolarHBondContact O-N 3.02Å; W514-G517 PolarHBondContact O-N 3.43Å; W514-L518 WeakPolarHBondContact O-CB 3.44Å; W514-L518 VanDerWaalsContact O-CG 3.29Å; W514-L518 WeakPolarHBondContact O-CG 3.48Å; W514-L518 PolarHBondContact O-N 2.86Å; W514-I549 HydrophobicContact CD2-CD1 4.03Å; W514-I549 HydrophobicContact CD2-CG1 4.41Å; W514-I549 HydrophobicContact CG-CD1 3.87Å; W514-I549 HydrophobicContact CZ2-CD1 4.27Å; W514-I549 HydrophobicContact CZ2-CG1 3.81Å; W514-I549 HydrophobicContact CZ2-CG2 4.37Å; W514-V554 HydrophobicContact CB-CG2 4.23Å; W514-V554 HydrophobicContact CG-CG2 4.36Å
515	L	94.3	Very high	89.6	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-63.9	-39.3	174.6	-69.6	171.6	0	0	0	112.1	V499 N501 I511 L512 L518 Q519 V538 F539	V499-L515 HydrophobicContact CB-CD2 4.3Å; V499-L515 HydrophobicContact CG2-CD2 3.72Å; V499-L515 HydrophobicContact CG2-CG 4.36Å; N501-L515 HydrophobicContact CB-CD1 4.47Å; I511-L515 HydrophobicContact CG2-CD1 4.18Å; I511-L515 HydrophobicContact CG2-CG 4.45Å; I511-L515 WeakPolarHBondContact O-CG 3.41Å; I511-L515 PolarHBondContact O-N 3.33Å; L512-L515 PolarHBondContact O-N 3.17Å; L515-L518 HydrophobicContact CD2-CD1 4.28Å; L515-L518 PolarHBondContact O-N 2.95Å; L515-Q519 WeakPolarHBondContact O-CB 3.19Å; L515-Q519 PolarHBondContact O-N 3.27Å; L515-V538 HydrophobicContact CB-CG1 4.46Å; L515-V538 HydrophobicContact CD2-CG1 4.15Å; L515-F539 HydrophobicContact CB-CD1 4.21Å; L515-F539 HydrophobicContact CB-CE1 3.46Å; L515-F539 VanDerWaalsContact CB-CE1 3.46Å; L515-F539 HydrophobicContact CB-CZ 3.83Å; L515-F539 HydrophobicContact CD1-CD1 4.15Å; L515-F539 HydrophobicContact CD1-CE1 4.08Å; L515-F539 HydrophobicContact CG-CE1 4.4Å
516	V	94.6	Very high	90.4	Very high	67 Å²	67	65.2 Å²	65.2	41%	0.406	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-39.5	172.1	173	0	0	0	0	111.4	L512 M513 Q519 N520 F539	L512-V516 WeakPolarHBondContact O-CG2 3.4Å; L512-V516 PolarHBondContact O-N 3.09Å; M513-V516 PolarHBondContact O-N 3.19Å; V516-Q519 PolarHBondContact O-N 2.68Å; V516-N520 PolarHBondContact O-N 2.65Å; V516-N520 VanDerWaalsContact O-N 3.08Å; V516-N520 PolarHBondContact O-ND2 2.8Å; V516-F539 HydrophobicContact CG2-CZ 3.84Å
517	G	95.2	Very high	90.9	Very high	20 Å²	20	61 Å²	61	21%	0.206	32%	0.323	C	S	.	.	H	α-helix	trans	-60.9	-47.6	173.3	0	0	0	0	0	112.1	M513 W514 N520 V521	M513-G517 PolarHBondContact O-N 3.48Å; W514-G517 PolarHBondContact O-N 3.43Å; G517-N520 PolarHBondContact O-N 3.06Å; G517-V521 WeakPolarHBondContact O-CG2 3.45Å; G517-V521 PolarHBondContact O-N 3.17Å
518	L	96.1	Very high	91.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-46.9	176	-74.4	162.6	0	0	0	112.3	V499 W514 L515 N520 V521 F522 T545 A547 V554 G556	V499-L518 HydrophobicContact CG2-CD1 3.69Å; W514-L518 WeakPolarHBondContact O-CB 3.44Å; W514-L518 VanDerWaalsContact O-CG 3.29Å; W514-L518 WeakPolarHBondContact O-CG 3.48Å; W514-L518 PolarHBondContact O-N 2.86Å; L515-L518 HydrophobicContact CD2-CD1 4.28Å; L515-L518 PolarHBondContact O-N 2.95Å; L518-N520 VanDerWaalsContact C-N 3.27Å; L518-N520 PolarHBondContact O-N 3.41Å; L518-V521 PolarHBondContact O-N 3.31Å; L518-V521 VanDerWaalsContact O-N 3.15Å; L518-F522 HydrophobicContact CB-CD2 4.41Å; L518-F522 HydrophobicContact CB-CE2 4.05Å; L518-F522 HydrophobicContact CD2-CE2 4.31Å; L518-F522 HydrophobicContact CD2-CZ 4.36Å; L518-F522 WeakPolarHBondContact O-CD2 3.35Å; L518-F522 WeakPolarHBondContact O-CG 3.23Å; L518-F522 PolarHBondContact O-N 2.89Å; L518-T545 HydrophobicContact CD1-CG2 3.45Å; L518-T545 VanDerWaalsContact CD1-CG2 3.45Å; L518-T545 HydrophobicContact CD2-CG2 3.74Å; L518-T545 HydrophobicContact CG-CG2 4.1Å; L518-A547 HydrophobicContact CD1-CB 3.95Å; L518-A547 HydrophobicContact CD2-CB 4.34Å; L518-A547 HydrophobicContact CG-CB 4.46Å; L518-V554 HydrophobicContact CD2-CG1 3.75Å; L518-V554 HydrophobicContact CG-CG1 3.88Å; L518-G556 WeakPolarHBondContact CD2-O 3.2Å
519	Q	96.1	Very high	92	Very high	11 Å²	11	62.3 Å²	62.3	5%	0.051	31%	0.312	C	S	.	.	H	α-helix	trans	-53.7	-45.8	175.2	-172.8	-70.2	-34.6	0	0	110.8	L515 V516 S523 K531 I534 T535 V538 F539	L515-Q519 WeakPolarHBondContact O-CB 3.19Å; L515-Q519 PolarHBondContact O-N 3.27Å; V516-Q519 PolarHBondContact O-N 2.68Å; Q519-S523 VanDerWaalsContact O-CB 3.23Å; Q519-S523 WeakPolarHBondContact O-CB 3.48Å; Q519-S523 PolarHBondContact O-N 3.08Å; Q519-K531 VanDerWaalsContact NE2-CG 3.27Å; Q519-I534 HydrophobicContact CG-CG2 4.41Å; Q519-T535 HydrophobicContact CG-CG2 4.39Å; Q519-T535 WeakPolarHBondContact CG-OG1 3.46Å; Q519-T535 PolarHBondContact NE2-OG1 2.99Å; Q519-V538 HydrophobicContact CB-CG1 4.33Å; Q519-F539 HydrophobicContact CB-CE2 4.22Å; Q519-F539 HydrophobicContact CG-CE2 4.22Å
520	N	94.9	Very high	92.3	Very high	60 Å²	60	58 Å²	58	32%	0.321	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-42.9	177.2	-78.4	-70.8	0	0	0	112.2	V516 G517 L518 S523 H524	V516-N520 PolarHBondContact O-N 2.65Å; V516-N520 VanDerWaalsContact O-N 3.08Å; V516-N520 PolarHBondContact O-ND2 2.8Å; G517-N520 PolarHBondContact O-N 3.06Å; L518-N520 VanDerWaalsContact C-N 3.27Å; L518-N520 PolarHBondContact O-N 3.41Å; N520-S523 PolarHBondContact O-N 3.1Å; N520-H524 PolarHBondContact O-N 3.2Å; N520-H524 PolarHBondContact O-ND1 3.46Å
521	V	95.2	Very high	92.4	Very high	13 Å²	13	57.7 Å²	57.7	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-49	177	173.8	0	0	0	0	110.9	G517 L518 S523 H524 Q525 V554 A575 T577	G517-V521 WeakPolarHBondContact O-CG2 3.45Å; G517-V521 PolarHBondContact O-N 3.17Å; L518-V521 PolarHBondContact O-N 3.31Å; L518-V521 VanDerWaalsContact O-N 3.15Å; V521-S523 PolarHBondContact O-N 3.03Å; V521-H524 PolarHBondContact O-N 3.01Å; V521-Q525 HydrophobicContact CG1-CG 4.19Å; V521-Q525 WeakPolarHBondContact O-CB 3.25Å; V521-Q525 VanDerWaalsContact O-CG 3.25Å; V521-Q525 WeakPolarHBondContact O-CG 3.38Å; V521-Q525 PolarHBondContact O-N 3.41Å; V521-V554 HydrophobicContact CG2-CG1 4.26Å; V521-A575 HydrophobicContact CG1-CB 4.26Å; V521-T577 HydrophobicContact CB-CG2 4.49Å; V521-T577 HydrophobicContact CG1-CG2 4.05Å; V521-T577 HydrophobicContact CG2-CG2 3.67Å
522	F	96.2	Very high	92.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60.5	-43.7	175.9	-63.8	-49.5	0	0	0	111.6	L518 H524 Q525 L526 I534 V538 T545 G557 C559 F573 A575	L518-F522 HydrophobicContact CB-CD2 4.41Å; L518-F522 HydrophobicContact CB-CE2 4.05Å; L518-F522 HydrophobicContact CD2-CE2 4.31Å; L518-F522 HydrophobicContact CD2-CZ 4.36Å; L518-F522 WeakPolarHBondContact O-CD2 3.35Å; L518-F522 WeakPolarHBondContact O-CG 3.23Å; L518-F522 PolarHBondContact O-N 2.89Å; F522-H524 VanDerWaalsContact C-N 3.27Å; F522-H524 PolarHBondContact O-N 3.02Å; F522-Q525 PolarHBondContact O-N 2.81Å; F522-L526 HydrophobicContact CB-CD1 4.42Å; F522-L526 HydrophobicContact CD1-CD1 4.25Å; F522-L526 WeakPolarHBondContact O-CB 3.28Å; F522-L526 PolarHBondContact O-N 2.97Å; F522-I534 HydrophobicContact CB-CD1 4.35Å; F522-I534 HydrophobicContact CB-CG2 3.7Å; F522-I534 HydrophobicContact CD2-CG2 4.46Å; F522-V538 HydrophobicContact CD2-CG2 3.76Å; F522-V538 HydrophobicContact CE2-CG2 4.02Å; F522-T545 HydrophobicContact CE2-CG2 4.05Å; F522-T545 HydrophobicContact CZ-CG2 4.03Å; F522-G557 WeakPolarHBondContact CE1-O 3.38Å; F522-C559 HydrophobicContact CE2-CB 3.99Å; F522-C559 HydrophobicContact CZ-CB 3.97Å; F522-F573 HydrophobicContact CD1-CB 3.59Å; F522-F573 HydrophobicContact CD1-CG 4.39Å; F522-F573 HydrophobicContact CD2-CB 4.35Å; F522-F573 HydrophobicContact CD2-CD2 4.21Å; F522-F573 HydrophobicContact CE1-CB 3.57Å; F522-F573 HydrophobicContact CE2-CB 4.31Å; F522-F573 HydrophobicContact CE2-CD2 4.47Å; F522-F573 HydrophobicContact CG-CB 4.02Å; F522-F573 HydrophobicContact CG-CD2 4.37Å; F522-F573 HydrophobicContact CG-CG 4.37Å; F522-F573 HydrophobicContact CZ-CB 3.95Å; F522-A575 HydrophobicContact CD1-CB 3.67Å; F522-A575 HydrophobicContact CE1-CB 3.96Å
523	S	95.1	Very high	92.8	Very high	29 Å²	29	59.4 Å²	59.4	20%	0.203	30%	0.303	C	S	.	.	H	α-helix	trans	-64.6	-24.3	-179.6	-172.9	0	0	0	0	114.5	Q519 N520 V521 K531	Q519-S523 VanDerWaalsContact O-CB 3.23Å; Q519-S523 WeakPolarHBondContact O-CB 3.48Å; Q519-S523 PolarHBondContact O-N 3.08Å; N520-S523 PolarHBondContact O-N 3.1Å; V521-S523 PolarHBondContact O-N 3.03Å; S523-K531 WeakPolarHBondContact OG-CG 3.49Å
524	H	92.4	Very high	92.9	Very high	138 Å²	138	53.4 Å²	53.4	64%	0.639	27%	0.273	S	S	*	.	H	α-helix	trans	-93	-33.3	175.3	-70.8	82.7	0	0	0	112.7	N520 V521 F522	N520-H524 PolarHBondContact O-N 3.2Å; N520-H524 PolarHBondContact O-ND1 3.46Å; V521-H524 PolarHBondContact O-N 3.01Å; F522-H524 VanDerWaalsContact C-N 3.27Å; F522-H524 PolarHBondContact O-N 3.02Å
525	Q	92.1	Very high	93	Very high	50 Å²	50	54.8 Å²	54.8	23%	0.234	28%	0.284	C	S	.	.	H	α-helix	trans	-89.1	-18.2	-176	-59.9	-61.3	-47.5	0	0	113.5	V521 F522 P527 A575 V576 S578	V521-Q525 HydrophobicContact CG1-CG 4.19Å; V521-Q525 WeakPolarHBondContact O-CB 3.25Å; V521-Q525 VanDerWaalsContact O-CG 3.25Å; V521-Q525 WeakPolarHBondContact O-CG 3.38Å; V521-Q525 PolarHBondContact O-N 3.41Å; F522-Q525 PolarHBondContact O-N 2.81Å; Q525-P527 WeakPolarHBondContact O-CD 3.5Å; Q525-A575 HydrophobicContact CB-CB 3.85Å; Q525-A575 HydrophobicContact CG-CB 4.27Å; Q525-V576 PolarHBondContact OE1-O 3.38Å; Q525-S578 PolarHBondContact NE2-OG 2.87Å; Q525-S578 PolarHBondContact OE1-OG 3.23Å; Q525-S578 VanDerWaalsContact OE1-OG 3.14Å
526	L	90.9	Very high	93	Very high	42 Å²	42	62.3 Å²	62.3	22%	0.22	31%	0.312	C	S	.	.			trans	-119.8	62.7	-179.3	-56.1	176.3	0	0	0	111.7	F522 R528 M529 F573	F522-L526 HydrophobicContact CB-CD1 4.42Å; F522-L526 HydrophobicContact CD1-CD1 4.25Å; F522-L526 WeakPolarHBondContact O-CB 3.28Å; F522-L526 PolarHBondContact O-N 2.97Å; L526-R528 PolarHBondContact O-N 3.4Å; L526-M529 HydrophobicContact CB-CB 4.32Å; L526-M529 HydrophobicContact CB-CG 4.17Å; L526-M529 WeakPolarHBondContact O-CB 3.48Å; L526-M529 PolarHBondContact O-N 3.27Å; L526-F573 HydrophobicContact CD1-CB 3.95Å; L526-F573 HydrophobicContact CD1-CD1 3.7Å; L526-F573 HydrophobicContact CD1-CG 4.11Å
527	P	83.9	Confident	93	Very high	115 Å²	115	59.7 Å²	59.7	75%	0.747	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-9.7	-170.9	27.8	-37.2	0	0	0	115.3	Q525 M529	Q525-P527 WeakPolarHBondContact O-CD 3.5Å; P527-M529 VanDerWaalsContact C-N 3.34Å
528	R	85.9	Confident	93	Very high	158 Å²	158	58.8 Å²	58.8	60%	0.596	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-9.7	170.7	-65.4	-173.6	-178	-179.2	3.8	113.4	L526	L526-R528 PolarHBondContact O-N 3.4Å
529	M	88.3	Confident	92.9	Very high	54 Å²	54	61 Å²	61	27%	0.266	30%	0.296	S	S	.	.	S	Bend	trans	-103.8	122.3	-178.6	-64.4	-67.7	178.8	0	0	110	L526 P527 Y533 I534 F573 Y640	L526-M529 HydrophobicContact CB-CB 4.32Å; L526-M529 HydrophobicContact CB-CG 4.17Å; L526-M529 WeakPolarHBondContact O-CB 3.48Å; L526-M529 PolarHBondContact O-N 3.27Å; P527-M529 VanDerWaalsContact C-N 3.34Å; M529-Y533 HydrophobicContact SD-CE1 4.43Å; M529-I534 HydrophobicContact CB-CD1 3.86Å; M529-I534 HydrophobicContact CB-CG1 3.9Å; M529-F573 HydrophobicContact CG-CE1 4.32Å; M529-Y640 HydrophobicContact CE-CD1 3.64Å; M529-Y640 HydrophobicContact CE-CE1 3.71Å; M529-Y640 HydrophobicContact CE-CG 4.46Å; M529-Y640 HydrophobicContact SD-CD1 4.09Å; M529-Y640 HydrophobicContact SD-CE1 3.88Å
530	P	91.9	Very high	92.8	Very high	74 Å²	74	62.4 Å²	62.4	48%	0.481	30%	0.304	S	S	.	.			trans	-58	141.8	179.2	-26.6	35.1	0	0	0	112.9	E532 Y533 I534	P530-E532 PolarHBondContact O-N 2.9Å; P530-Y533 WeakPolarHBondContact O-CB 3.47Å; P530-Y533 PolarHBondContact O-N 3.15Å; P530-Y533 VanDerWaalsContact O-N 3.08Å; P530-I534 WeakPolarHBondContact O-CG1 3.3Å; P530-I534 PolarHBondContact O-N 3.43Å
531	K	92	Very high	92.6	Very high	100 Å²	100	62.7 Å²	62.7	44%	0.435	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-36.1	-175.8	-173.3	178.2	-175.5	-177.1	0	111.6	Q519 S523 T535	Q519-K531 VanDerWaalsContact NE2-CG 3.27Å; S523-K531 WeakPolarHBondContact OG-CG 3.49Å; K531-T535 WeakPolarHBondContact O-CB 3.44Å; K531-T535 PolarHBondContact O-N 3.3Å; K531-T535 PolarHBondContact O-OG1 2.93Å
532	E	93.3	Very high	92.5	Very high	136 Å²	136	69.1 Å²	69.1	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-66.3	-42.2	178.5	-57.7	61.8	-129.2	0	0	109.8	P530 T535 R536	P530-E532 PolarHBondContact O-N 2.9Å; E532-T535 PolarHBondContact O-N 3.3Å; E532-R536 WeakPolarHBondContact O-CB 3.42Å; E532-R536 PolarHBondContact O-N 2.83Å
533	Y	93.8	Very high	92.4	Very high	33 Å²	33	69.5 Å²	69.5	13%	0.129	34%	0.338	C	S	.	.	H	α-helix	trans	-66.9	-45.5	177.3	179	-97.2	0	0	0	112	M529 P530 R536 L537 F573 K638 Y640	M529-Y533 HydrophobicContact SD-CE1 4.43Å; P530-Y533 WeakPolarHBondContact O-CB 3.47Å; P530-Y533 PolarHBondContact O-N 3.15Å; P530-Y533 VanDerWaalsContact O-N 3.08Å; Y533-R536 PolarHBondContact O-N 3.22Å; Y533-L537 HydrophobicContact CE1-CD1 3.83Å; Y533-L537 HydrophobicContact CE2-CD1 4.17Å; Y533-L537 PolarHBondContact O-N 3.08Å; Y533-L537 WeakPolarHBondContact OH-CD1 3.4Å; Y533-F573 HydrophobicContact CD1-CE1 4.48Å; Y533-F573 HydrophobicContact CD1-CZ 4.08Å; Y533-F573 HydrophobicContact CE1-CE1 4.18Å; Y533-F573 AromaticContact CE1-CZ 3.92Å; Y533-F573 HydrophobicContact CE1-CZ 3.92Å; Y533-K638 HydrophobicContact CE2-CD 4.33Å; Y533-K638 WeakPolarHBondContact OH-CD 3.36Å; Y533-K638 PolarHBondContact OH-NZ 3.17Å; Y533-Y640 AromaticContact CE1-CE1 3.96Å; Y533-Y640 HydrophobicContact CE1-CE1 3.96Å; Y533-Y640 PolarHBondContact OH-OH 3.05Å
534	I	95.1	Very high	92.5	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-50.5	173.2	-66.5	169	0	0	0	109.9	Q519 F522 M529 P530 R536 L537 V538 F573	Q519-I534 HydrophobicContact CG-CG2 4.41Å; F522-I534 HydrophobicContact CB-CD1 4.35Å; F522-I534 HydrophobicContact CB-CG2 3.7Å; F522-I534 HydrophobicContact CD2-CG2 4.46Å; M529-I534 HydrophobicContact CB-CD1 3.86Å; M529-I534 HydrophobicContact CB-CG1 3.9Å; P530-I534 WeakPolarHBondContact O-CG1 3.3Å; P530-I534 PolarHBondContact O-N 3.43Å; I534-R536 PolarHBondContact O-N 3.29Å; I534-L537 PolarHBondContact O-N 2.79Å; I534-V538 HydrophobicContact CG2-CG2 4.02Å; I534-V538 WeakPolarHBondContact O-CB 3.39Å; I534-V538 VanDerWaalsContact O-CG2 3.3Å; I534-V538 WeakPolarHBondContact O-CG2 3.42Å; I534-V538 PolarHBondContact O-N 3.48Å; I534-F573 HydrophobicContact CB-CE2 4.31Å; I534-F573 HydrophobicContact CB-CZ 4.26Å; I534-F573 HydrophobicContact CG1-CE1 4.21Å; I534-F573 HydrophobicContact CG1-CE2 4.32Å; I534-F573 HydrophobicContact CG1-CZ 3.88Å; I534-F573 HydrophobicContact CG2-CE2 4.17Å
535	T	95.1	Very high	92.7	Very high	49 Å²	49	65.1 Å²	65.1	30%	0.301	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-48.1	-179.1	-55.4	0	0	0	0	110.9	Q519 K531 E532 L537 V538 F539	Q519-T535 HydrophobicContact CG-CG2 4.39Å; Q519-T535 WeakPolarHBondContact CG-OG1 3.46Å; Q519-T535 PolarHBondContact NE2-OG1 2.99Å; K531-T535 WeakPolarHBondContact O-CB 3.44Å; K531-T535 PolarHBondContact O-N 3.3Å; K531-T535 PolarHBondContact O-OG1 2.93Å; E532-T535 PolarHBondContact O-N 3.3Å; T535-L537 VanDerWaalsContact C-N 3.27Å; T535-L537 PolarHBondContact O-N 3.07Å; T535-V538 PolarHBondContact O-N 3.01Å; T535-F539 HydrophobicContact CG2-CD2 3.78Å; T535-F539 HydrophobicContact CG2-CE2 4.06Å; T535-F539 WeakPolarHBondContact O-CD2 3.43Å; T535-F539 PolarHBondContact O-N 3.31Å; T535-F539 VanDerWaalsContact O-N 3.1Å
536	R	94.6	Very high	93	Very high	160 Å²	160	63.1 Å²	63.1	60%	0.604	30%	0.304	S	S	*	.	H	α-helix	trans	-57.1	-37.6	179.9	-169.6	-174	67.5	113.8	8.1	112.9	E532 Y533 I534 D540	E532-R536 WeakPolarHBondContact O-CB 3.42Å; E532-R536 PolarHBondContact O-N 2.83Å; Y533-R536 PolarHBondContact O-N 3.22Å; I534-R536 PolarHBondContact O-N 3.29Å; R536-D540 WeakPolarHBondContact O-CB 3.45Å; R536-D540 PolarHBondContact O-N 3.15Å
537	L	94.8	Very high	93.3	Very high	11 Å²	11	61.1 Å²	61.1	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-85.7	-37.5	179.6	-61.6	-168.7	0	0	0	113.6	Y533 I534 T535 F539 D540 H543 V572 F573	Y533-L537 HydrophobicContact CE1-CD1 3.83Å; Y533-L537 HydrophobicContact CE2-CD1 4.17Å; Y533-L537 PolarHBondContact O-N 3.08Å; Y533-L537 WeakPolarHBondContact OH-CD1 3.4Å; I534-L537 PolarHBondContact O-N 2.79Å; T535-L537 VanDerWaalsContact C-N 3.27Å; T535-L537 PolarHBondContact O-N 3.07Å; L537-F539 PolarHBondContact O-N 3.11Å; L537-D540 PolarHBondContact O-N 3.3Å; L537-H543 WeakPolarHBondContact O-CB 3.37Å; L537-V572 HydrophobicContact CD1-CG1 3.64Å; L537-F573 HydrophobicContact CB-CE2 4.09Å; L537-F573 HydrophobicContact CD1-CZ 4.28Å
538	V	95.3	Very high	93.9	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-29.2	177	172	0	0	0	0	111.9	L515 Q519 F522 I534 T535 F573	L515-V538 HydrophobicContact CB-CG1 4.46Å; L515-V538 HydrophobicContact CD2-CG1 4.15Å; Q519-V538 HydrophobicContact CB-CG1 4.33Å; F522-V538 HydrophobicContact CD2-CG2 3.76Å; F522-V538 HydrophobicContact CE2-CG2 4.02Å; I534-V538 HydrophobicContact CG2-CG2 4.02Å; I534-V538 WeakPolarHBondContact O-CB 3.39Å; I534-V538 VanDerWaalsContact O-CG2 3.3Å; I534-V538 WeakPolarHBondContact O-CG2 3.42Å; I534-V538 PolarHBondContact O-N 3.48Å; T535-V538 PolarHBondContact O-N 3.01Å; V538-F573 HydrophobicContact CG2-CD2 4.22Å; V538-F573 HydrophobicContact CG2-CE2 4.24Å
539	F	94.3	Very high	94.3	Very high	45 Å²	45	48.2 Å²	48.2	20%	0.197	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	5.6	176.3	-66	-78.1	0	0	0	114.5	N501 L512 L515 V516 Q519 T535 L537 P541	N501-F539 WeakPolarHBondContact CB-O 3.42Å; N501-F539 PolarHBondContact ND2-O 2.93Å; L512-F539 HydrophobicContact CD1-CE1 3.94Å; L515-F539 HydrophobicContact CB-CD1 4.21Å; L515-F539 HydrophobicContact CB-CE1 3.46Å; L515-F539 VanDerWaalsContact CB-CE1 3.46Å; L515-F539 HydrophobicContact CB-CZ 3.83Å; L515-F539 HydrophobicContact CD1-CD1 4.15Å; L515-F539 HydrophobicContact CD1-CE1 4.08Å; L515-F539 HydrophobicContact CG-CE1 4.4Å; V516-F539 HydrophobicContact CG2-CZ 3.84Å; Q519-F539 HydrophobicContact CB-CE2 4.22Å; Q519-F539 HydrophobicContact CG-CE2 4.22Å; T535-F539 HydrophobicContact CG2-CD2 3.78Å; T535-F539 HydrophobicContact CG2-CE2 4.06Å; T535-F539 WeakPolarHBondContact O-CD2 3.43Å; T535-F539 PolarHBondContact O-N 3.31Å; T535-F539 VanDerWaalsContact O-N 3.1Å; L537-F539 PolarHBondContact O-N 3.11Å; F539-P541 WeakPolarHBondContact O-CD 3.48Å
540	D	93.5	Very high	94.6	Very high	42 Å²	42	47 Å²	47	23%	0.225	22%	0.223	C	C	.	.			trans	-75.1	122.7	172.7	177.6	-12.1	0	0	0	109.7	R536 L537 K542 H543	R536-D540 WeakPolarHBondContact O-CB 3.45Å; R536-D540 PolarHBondContact O-N 3.15Å; L537-D540 PolarHBondContact O-N 3.3Å; D540-K542 PolarHBondContact O-N 3.45Å; D540-K542 VanDerWaalsContact OD1-CB 3.32Å; D540-K542 WeakPolarHBondContact OD1-CB 3.14Å; D540-K542 PolarHBondContact OD1-N 3.14Å; D540-H543 WeakPolarHBondContact CB-ND1 3.39Å; D540-H543 PolarHBondContact O-N 3.29Å; D540-H543 IonicContact OD2-CE1 3.27Å; D540-H543 PolarHBondContact OD2-CE1 2.95Å; D540-H543 IonicContact OD2-ND1 3.48Å; D540-H543 PolarHBondContact OD2-ND1 2.76Å
541	P	91.8	Very high	94.5	Very high	66 Å²	66	49.5 Å²	49.5	43%	0.429	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-15.6	178.9	-23.8	34	0	0	0	115.6	L503 F539 H543	L503-P541 HydrophobicContact CD1-CG 3.93Å; L503-P541 HydrophobicContact CD2-CG 4.25Å; L503-P541 HydrophobicContact CG-CG 3.73Å; F539-P541 WeakPolarHBondContact O-CD 3.48Å; P541-H543 VanDerWaalsContact C-N 3.3Å
542	K	92.4	Very high	94.2	Very high	148 Å²	148	47.6 Å²	47.6	64%	0.643	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.4	173.9	-63.2	170.6	-179.1	172.1	0	113	D540	D540-K542 PolarHBondContact O-N 3.45Å; D540-K542 VanDerWaalsContact OD1-CB 3.32Å; D540-K542 WeakPolarHBondContact OD1-CB 3.14Å; D540-K542 PolarHBondContact OD1-N 3.14Å
543	H	94.9	Very high	94.1	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.037	25%	0.246	C	C	.	.			trans	-103.5	147.8	178.9	-64.1	74.9	0	0	0	110.6	L537 D540 P541 F560	L537-H543 WeakPolarHBondContact O-CB 3.37Å; D540-H543 WeakPolarHBondContact CB-ND1 3.39Å; D540-H543 PolarHBondContact O-N 3.29Å; D540-H543 IonicContact OD2-CE1 3.27Å; D540-H543 PolarHBondContact OD2-CE1 2.95Å; D540-H543 IonicContact OD2-ND1 3.48Å; D540-H543 PolarHBondContact OD2-ND1 2.76Å; P541-H543 VanDerWaalsContact C-N 3.3Å; H543-F560 WeakPolarHBondContact CA-O 3.48Å
544	K	95.8	Very high	94.2	Very high	74 Å²	74	50 Å²	50	32%	0.322	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	153.4	169.5	-68.7	176.5	179.9	172.6	0	108.5	V498 V499 C559 F560 M562 Y596	V498-K544 HydrophobicContact CG1-CB 4.2Å; V498-K544 HydrophobicContact CG1-CD 4.06Å; V499-K544 CarbonylContact O-C 3.59Å; V499-K544 WeakPolarHBondContact O-CA 3.46Å; K544-C559 WeakPolarHBondContact O-CA 3.47Å; K544-F560 HydrophobicContact CB-CD2 4.45Å; K544-F560 HydrophobicContact CB-CE1 3.95Å; K544-F560 HydrophobicContact CB-CE2 3.86Å; K544-F560 HydrophobicContact CB-CZ 3.58Å; K544-F560 HydrophobicContact CD-CE2 4.24Å; K544-F560 HydrophobicContact CD-CZ 4.23Å; K544-F560 PolarHBondContact N-O 3.39Å; K544-F560 WeakPolarHBondContact O-CD1 3.23Å; K544-F560 PolarHBondContact O-N 3.49Å; K544-F560 VanDerWaalsContact O-O 3.09Å; K544-M562 HydrophobicContact CD-SD 4.25Å; K544-Y596 PolarHBondContact NZ-OH 2.93Å
545	T	97.3	Very high	94.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.5	173.9	-52.1	0	0	0	0	109.3	V499 L518 F522 A547 I558 C559	V499-T545 WeakPolarHBondContact CG2-O 3.36Å; V499-T545 PolarHBondContact N-O 3.49Å; V499-T545 PolarHBondContact O-N 3.2Å; L518-T545 HydrophobicContact CD1-CG2 3.45Å; L518-T545 VanDerWaalsContact CD1-CG2 3.45Å; L518-T545 HydrophobicContact CD2-CG2 3.74Å; L518-T545 HydrophobicContact CG-CG2 4.1Å; F522-T545 HydrophobicContact CE2-CG2 4.05Å; F522-T545 HydrophobicContact CZ-CG2 4.03Å; T545-A547 PolarHBondContact O-N 2.84Å; T545-I558 CarbonylContact C-O 3.57Å; T545-I558 VanDerWaalsContact CA-O 3.27Å; T545-I558 WeakPolarHBondContact CA-O 3.41Å; T545-I558 WeakPolarHBondContact CG2-O 3.34Å; T545-C559 HydrophobicContact CG2-CB 4.21Å; T545-C559 PolarHBondContact OG1-SG 3.47Å; T545-C559 VanDerWaalsContact OG1-SG 3.35Å
546	L	97.6	Very high	94.3	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	107.3	166.4	179.5	64.4	0	0	0	107.1	F496 V498 G557 I558 F560 L589 H592 L593	F496-L546 HydrophobicContact CB-CD1 4.32Å; V498-L546 HydrophobicContact CG2-CD1 3.69Å; L546-G557 CarbonylContact O-C 3.55Å; L546-G557 WeakPolarHBondContact O-CA 3.48Å; L546-I558 PolarHBondContact N-O 2.71Å; L546-I558 PolarHBondContact O-N 2.72Å; L546-F560 HydrophobicContact CB-CE1 4.26Å; L546-L589 HydrophobicContact CB-CD1 4.38Å; L546-L589 HydrophobicContact CD2-CD1 3.64Å; L546-L589 HydrophobicContact CD2-CG 4.48Å; L546-L589 VanDerWaalsContact CD2-O 3.32Å; L546-L589 WeakPolarHBondContact CD2-O 3.46Å; L546-L589 HydrophobicContact CG-CD1 3.66Å; L546-H592 HydrophobicContact CD2-CB 4.03Å; L546-L593 HydrophobicContact CB-CD1 4.21Å; L546-L593 HydrophobicContact CD2-CB 3.89Å; L546-L593 HydrophobicContact CD2-CD1 4.14Å
547	A	97.1	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.3	178.2	0	0	0	0	0	110.8	F496 H497 V499 L518 T545 I549	F496-A547 WeakPolarHBondContact CA-O 3.33Å; H497-A547 PolarHBondContact N-O 3.04Å; H497-A547 WeakPolarHBondContact O-CB 3.47Å; H497-A547 PolarHBondContact O-N 3.18Å; V499-A547 HydrophobicContact CG2-CB 4.18Å; L518-A547 HydrophobicContact CD1-CB 3.95Å; L518-A547 HydrophobicContact CD2-CB 4.34Å; L518-A547 HydrophobicContact CG-CB 4.46Å; T545-A547 PolarHBondContact O-N 2.84Å; A547-I549 HydrophobicContact CB-CD1 3.98Å
548	L	96.8	Very high	94.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.4	164.3	174.1	57	0	0	0	109.1	I494 F496 I555 G556 Y585 L589	I494-L548 HydrophobicContact CB-CD1 3.91Å; I494-L548 HydrophobicContact CD1-CD1 4.19Å; I494-L548 HydrophobicContact CG1-CD1 4.41Å; I494-L548 HydrophobicContact CG2-CD1 4.48Å; F496-L548 HydrophobicContact CD1-CB 4.47Å; F496-L548 HydrophobicContact CD1-CD1 4.14Å; F496-L548 HydrophobicContact CE1-CB 4.24Å; F496-L548 HydrophobicContact CE1-CD1 3.69Å; F496-L548 HydrophobicContact CE1-CD2 4.44Å; F496-L548 HydrophobicContact CE1-CG 4.33Å; F496-L548 HydrophobicContact CE2-CD1 4.09Å; F496-L548 HydrophobicContact CZ-CD1 3.67Å; L548-I555 HydrophobicContact CB-CG1 4.43Å; L548-I555 HydrophobicContact CD2-CD1 3.76Å; L548-I555 HydrophobicContact CD2-CG1 3.87Å; L548-I555 HydrophobicContact CG-CD1 3.93Å; L548-I555 HydrophobicContact CG-CG1 3.66Å; L548-I555 PolarHBondContact O-N 3.18Å; L548-G556 PolarHBondContact N-O 3Å; L548-Y585 HydrophobicContact CD2-CD1 4.19Å; L548-Y585 HydrophobicContact CD2-CG 3.93Å; L548-L589 HydrophobicContact CB-CD1 4.3Å
549	I	95.4	Very high	94.7	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	140.5	178.5	-47.8	-55.1	0	0	0	108.6	I494 E495 W514 A547 R553 V554	I494-I549 CarbonylContact C-O 3.52Å; I494-I549 WeakPolarHBondContact CA-O 3.33Å; E495-I549 HydrophobicContact CB-CB 4.33Å; E495-I549 PolarHBondContact N-O 2.88Å; E495-I549 PolarHBondContact O-N 3.09Å; W514-I549 HydrophobicContact CD2-CD1 4.03Å; W514-I549 HydrophobicContact CD2-CG1 4.41Å; W514-I549 HydrophobicContact CG-CD1 3.87Å; W514-I549 HydrophobicContact CZ2-CD1 4.27Å; W514-I549 HydrophobicContact CZ2-CG1 3.81Å; W514-I549 HydrophobicContact CZ2-CG2 4.37Å; A547-I549 HydrophobicContact CB-CD1 3.98Å; I549-R553 CarbonylContact C-O 3.57Å; I549-R553 VanDerWaalsContact CA-O 3.3Å; I549-R553 WeakPolarHBondContact CA-O 3.26Å; I549-V554 HydrophobicContact CD1-CB 4.4Å; I549-V554 HydrophobicContact CD1-CG2 3.73Å
550	K	93.4	Very high	94.8	Very high	30 Å²	30	38 Å²	38	13%	0.13	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	129.6	173.7	179.9	173.4	178.4	-175.5	0	108.9	V493 I494 G552 R553 I555 E580 Y585	V493-K550 HydrophobicContact CG1-CG 4.37Å; V493-K550 WeakPolarHBondContact O-CA 3.46Å; I494-K550 HydrophobicContact CG2-CB 3.91Å; I494-K550 HydrophobicContact CG2-CD 3.98Å; I494-K550 HydrophobicContact CG2-CG 3.85Å; K550-G552 PolarHBondContact O-N 3.49Å; K550-G552 VanDerWaalsContact O-N 3.11Å; K550-R553 PolarHBondContact N-O 3.01Å; K550-R553 PolarHBondContact O-N 3.06Å; K550-I555 HydrophobicContact CB-CD1 3.74Å; K550-I555 HydrophobicContact CB-CG1 3.99Å; K550-I555 HydrophobicContact CB-CG2 4Å; K550-I555 HydrophobicContact CD-CD1 3.81Å; K550-I555 HydrophobicContact CG-CD1 4.44Å; K550-E580 WeakPolarHBondContact CD-OE1 3.16Å; K550-E580 IonicContact NZ-OE1 3.73Å; K550-E580 PolarHBondContact NZ-OE1 2.9Å; K550-E580 IonicContact NZ-OE2 2.95Å; K550-Y585 PolarHBondContact NZ-OH 3.38Å
551	D	89.6	Confident	94.9	Very high	125 Å²	125	39.4 Å²	39.4	67%	0.668	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	39.2	-176.5	-51.7	-50.6	0	0	0	112.7	V493 R553	V493-D551 PolarHBondContact O-N 2.84Å; D551-R553 PolarHBondContact O-N 3.08Å
552	G	85.9	Confident	95.1	Very high	60 Å²	60	38.2 Å²	38.2	62%	0.619	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	-7	-175.8	0	0	0	0	0	116.5	K550	K550-G552 PolarHBondContact O-N 3.49Å; K550-G552 VanDerWaalsContact O-N 3.11Å
553	R	92.3	Very high	95.2	Very high	198 Å²	198	31.7 Å²	31.7	75%	0.747	16%	0.157	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	146.3	-177.1	-59	-178.7	-178.5	-160.9	-0.6	111.9	I549 K550 D551 I555	I549-R553 CarbonylContact C-O 3.57Å; I549-R553 VanDerWaalsContact CA-O 3.3Å; I549-R553 WeakPolarHBondContact CA-O 3.26Å; K550-R553 PolarHBondContact N-O 3.01Å; K550-R553 PolarHBondContact O-N 3.06Å; D551-R553 PolarHBondContact O-N 3.08Å; R553-I555 PolarHBondContact O-N 3.47Å
554	V	95.8	Very high	95	Very high	23 Å²	23	35.7 Å²	35.7	14%	0.139	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	123	171.4	-178.2	0	0	0	0	109.2	W514 L518 V521 I549	W514-V554 HydrophobicContact CB-CG2 4.23Å; W514-V554 HydrophobicContact CG-CG2 4.36Å; L518-V554 HydrophobicContact CD2-CG1 3.75Å; L518-V554 HydrophobicContact CG-CG1 3.88Å; V521-V554 HydrophobicContact CG2-CG1 4.26Å; I549-V554 HydrophobicContact CD1-CB 4.4Å; I549-V554 HydrophobicContact CD1-CG2 3.73Å
555	I	95.1	Very high	94.8	Very high	14 Å²	14	37.6 Å²	37.6	7%	0.072	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	-10.5	174.1	62.6	160.1	0	0	0	113.7	L548 K550 R553 V576 T577 E580 Y585	L548-I555 HydrophobicContact CB-CG1 4.43Å; L548-I555 HydrophobicContact CD2-CD1 3.76Å; L548-I555 HydrophobicContact CD2-CG1 3.87Å; L548-I555 HydrophobicContact CG-CD1 3.93Å; L548-I555 HydrophobicContact CG-CG1 3.66Å; L548-I555 PolarHBondContact O-N 3.18Å; K550-I555 HydrophobicContact CB-CD1 3.74Å; K550-I555 HydrophobicContact CB-CG1 3.99Å; K550-I555 HydrophobicContact CB-CG2 4Å; K550-I555 HydrophobicContact CD-CD1 3.81Å; K550-I555 HydrophobicContact CG-CD1 4.44Å; R553-I555 PolarHBondContact O-N 3.47Å; I555-V576 WeakPolarHBondContact O-CA 3.12Å; I555-T577 WeakPolarHBondContact O-CG2 3.4Å; I555-T577 PolarHBondContact O-N 2.71Å; I555-T577 PolarHBondContact O-OG1 2.89Å; I555-T577 VanDerWaalsContact O-OG1 3.08Å; I555-E580 HydrophobicContact CB-CG 4.21Å; I555-E580 HydrophobicContact CD1-CB 4.26Å; I555-E580 HydrophobicContact CD1-CG 4.1Å; I555-E580 HydrophobicContact CG2-CG 4.27Å; I555-Y585 HydrophobicContact CD1-CD2 4.06Å; I555-Y585 HydrophobicContact CD1-CE2 4Å; I555-Y585 HydrophobicContact CD1-CG 4.48Å
556	G	96.3	Very high	94.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	176.7	176.8	0	0	0	0	0	113.2	L518 L548 A575	L518-G556 WeakPolarHBondContact CD2-O 3.2Å; L548-G556 PolarHBondContact N-O 3Å; G556-A575 CarbonylContact C-O 3.57Å; G556-A575 WeakPolarHBondContact CA-O 3.42Å
557	G	97.2	Very high	94.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	169.9	171.8	0	0	0	0	0	114.4	F522 L546 A575	F522-G557 WeakPolarHBondContact CE1-O 3.38Å; L546-G557 CarbonylContact O-C 3.55Å; L546-G557 WeakPolarHBondContact O-CA 3.48Å; G557-A575 PolarHBondContact N-O 3.45Å; G557-A575 PolarHBondContact O-N 2.92Å
558	I	98.2	Very high	94.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.1	171.3	-59.1	176	0	0	0	108.6	T545 L546 F560 I571 F573 C574 L589 M590 L593	T545-I558 CarbonylContact C-O 3.57Å; T545-I558 VanDerWaalsContact CA-O 3.27Å; T545-I558 WeakPolarHBondContact CA-O 3.41Å; T545-I558 WeakPolarHBondContact CG2-O 3.34Å; L546-I558 PolarHBondContact N-O 2.71Å; L546-I558 PolarHBondContact O-N 2.72Å; I558-F560 WeakPolarHBondContact O-CD1 3.35Å; I558-I571 HydrophobicContact CG2-CG1 4.43Å; I558-I571 HydrophobicContact CG2-CG2 3.65Å; I558-F573 CarbonylContact C-O 3.56Å; I558-F573 VanDerWaalsContact CA-O 3.29Å; I558-F573 WeakPolarHBondContact CA-O 3.45Å; I558-F573 WeakPolarHBondContact CG2-O 3.2Å; I558-C574 HydrophobicContact CG1-CB 4.13Å; I558-C574 HydrophobicContact CG2-CB 4.46Å; I558-L589 HydrophobicContact CD1-CD2 4.24Å; I558-L589 HydrophobicContact CD1-CG 3.87Å; I558-L589 HydrophobicContact CG1-CD2 3.84Å; I558-L589 HydrophobicContact CG1-CG 3.89Å; I558-M590 HydrophobicContact CD1-CE 3.84Å; I558-M590 HydrophobicContact CD1-SD 4.46Å; I558-L593 HydrophobicContact CB-CD2 4.41Å; I558-L593 HydrophobicContact CD1-CB 4.45Å; I558-L593 HydrophobicContact CD1-CD2 3.91Å; I558-L593 HydrophobicContact CG2-CD1 4.45Å; I558-L593 HydrophobicContact CG2-CD2 3.84Å
559	C	97.6	Very high	94.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.9	173.2	-167.2	0	0	0	0	109.2	F522 K544 T545 V572 F573	F522-C559 HydrophobicContact CE2-CB 3.99Å; F522-C559 HydrophobicContact CZ-CB 3.97Å; K544-C559 WeakPolarHBondContact O-CA 3.47Å; T545-C559 HydrophobicContact CG2-CB 4.21Å; T545-C559 PolarHBondContact OG1-SG 3.47Å; T545-C559 VanDerWaalsContact OG1-SG 3.35Å; C559-V572 PolarHBondContact O-N 3.23Å; C559-F573 HydrophobicContact CB-CB 3.95Å; C559-F573 HydrophobicContact CB-CD2 3.83Å; C559-F573 HydrophobicContact CB-CG 4.32Å; C559-F573 PolarHBondContact N-O 3.08Å; C559-F573 PolarHBondContact O-N 3.41Å; C559-F573 VanDerWaalsContact O-N 3.16Å
560	F	97.4	Very high	94.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	159.4	-171.3	67	-89	0	0	0	112.3	V498 H543 K544 L546 I558 M562 T569 E570 L593 Y596 H597	V498-F560 HydrophobicContact CG1-CZ 4.28Å; H543-F560 WeakPolarHBondContact CA-O 3.48Å; K544-F560 HydrophobicContact CB-CD2 4.45Å; K544-F560 HydrophobicContact CB-CE1 3.95Å; K544-F560 HydrophobicContact CB-CE2 3.86Å; K544-F560 HydrophobicContact CB-CZ 3.58Å; K544-F560 HydrophobicContact CD-CE2 4.24Å; K544-F560 HydrophobicContact CD-CZ 4.23Å; K544-F560 PolarHBondContact N-O 3.39Å; K544-F560 WeakPolarHBondContact O-CD1 3.23Å; K544-F560 PolarHBondContact O-N 3.49Å; K544-F560 VanDerWaalsContact O-O 3.09Å; L546-F560 HydrophobicContact CB-CE1 4.26Å; I558-F560 WeakPolarHBondContact O-CD1 3.35Å; F560-M562 HydrophobicContact CD2-CG 4Å; F560-M562 HydrophobicContact CE2-CG 3.83Å; F560-M562 HydrophobicContact CE2-SD 4.01Å; F560-T569 HydrophobicContact CB-CG2 3.78Å; F560-T569 HydrophobicContact CD2-CG2 3.83Å; F560-T569 HydrophobicContact CG-CG2 4.2Å; F560-E570 CarbonylContact C-O 3.35Å; F560-E570 WeakPolarHBondContact CA-O 3.45Å; F560-E570 WeakPolarHBondContact CB-O 3.36Å; F560-L593 HydrophobicContact CD1-CD1 3.59Å; F560-L593 HydrophobicContact CE1-CD1 3.61Å; F560-L593 HydrophobicContact CG-CD1 4.21Å; F560-L593 HydrophobicContact CZ-CD1 4.25Å; F560-Y596 HydrophobicContact CE2-CD1 4.33Å; F560-Y596 AromaticContact CE2-CE1 3.91Å; F560-Y596 HydrophobicContact CE2-CE1 3.91Å; F560-Y596 AromaticContact CZ-CD1 3.94Å; F560-Y596 HydrophobicContact CZ-CD1 3.94Å; F560-Y596 AromaticContact CZ-CE1 3.64Å; F560-Y596 HydrophobicContact CZ-CE1 3.64Å; F560-H597 AromaticContact CD2-CE1 3.5Å; F560-H597 VanDerWaalsContact CD2-CE1 3.5Å; F560-H597 WeakPolarHBondContact CD2-CE1 3.48Å; F560-H597 AromaticContact CD2-NE2 3.48Å; F560-H597 WeakPolarHBondContact CD2-NE2 3.42Å; F560-H597 AromaticContact CE2-CE1 3.35Å; F560-H597 WeakPolarHBondContact CE2-CE1 3.38Å; F560-H597 AromaticContact CE2-NE2 3.4Å; F560-H597 WeakPolarHBondContact CE2-NE2 3.5Å; F560-H597 AromaticContact CZ-CE1 3.85Å
561	R	96.1	Very high	94.3	Very high	72 Å²	72	39.5 Å²	39.5	27%	0.272	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.5	178.2	-178.6	172.2	173.5	-148.3	-6.1	110.2	F563 T569 E570	R561-F563 HydrophobicContact CB-CE2 4.19Å; R561-F563 HydrophobicContact CG-CD2 4.42Å; R561-F563 HydrophobicContact CG-CE2 3.78Å; R561-F563 HydrophobicContact CG-CZ 3.98Å; R561-F563 VanDerWaalsContact CZ-CZ 3.42Å; R561-F563 WeakPolarHBondContact O-CD2 3.44Å; R561-T569 CarbonylContact O-C 3.42Å; R561-T569 WeakPolarHBondContact O-CA 3.36Å; R561-E570 HydrophobicContact CB-CB 4.46Å; R561-E570 PolarHBondContact N-O 2.89Å; R561-E570 PolarHBondContact O-N 3.14Å
562	M	94.1	Very high	94.6	Very high	40 Å²	40	34.3 Å²	34.3	20%	0.197	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	138.2	-178.6	-58.6	170.1	79.6	0	0	110.2	K544 F560 Y596 H600 I602	K544-M562 HydrophobicContact CD-SD 4.25Å; F560-M562 HydrophobicContact CD2-CG 4Å; F560-M562 HydrophobicContact CE2-CG 3.83Å; F560-M562 HydrophobicContact CE2-SD 4.01Å; M562-Y596 HydrophobicContact CE-CE1 4.45Å; M562-Y596 HydrophobicContact SD-CE1 4.19Å; M562-H600 HydrophobicContact CE-CB 3.75Å; M562-I602 HydrophobicContact CB-CD1 3.93Å; M562-I602 HydrophobicContact CE-CD1 3.72Å; M562-I602 HydrophobicContact CG-CD1 4.35Å
563	F	94.7	Very high	95	Very high	11 Å²	11	31.6 Å²	31.6	5%	0.048	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	75.9	172.7	-64.5	-94.1	0	0	0	109.6	R561 S565 Q566 G567 F568 E570 Y636	R561-F563 HydrophobicContact CB-CE2 4.19Å; R561-F563 HydrophobicContact CG-CD2 4.42Å; R561-F563 HydrophobicContact CG-CE2 3.78Å; R561-F563 HydrophobicContact CG-CZ 3.98Å; R561-F563 VanDerWaalsContact CZ-CZ 3.42Å; R561-F563 WeakPolarHBondContact O-CD2 3.44Å; F563-S565 PolarHBondContact O-N 2.88Å; F563-Q566 HydrophobicContact CB-CB 4.12Å; F563-Q566 PolarHBondContact O-N 3.44Å; F563-Q566 VanDerWaalsContact O-N 3.12Å; F563-G567 PolarHBondContact O-N 2.88Å; F563-F568 CarbonylContact C-O 3.52Å; F563-F568 WeakPolarHBondContact CA-O 3.44Å; F563-F568 HydrophobicContact CB-CD1 4.18Å; F563-F568 HydrophobicContact CB-CE1 3.89Å; F563-F568 HydrophobicContact CB-CE2 4.46Å; F563-F568 HydrophobicContact CB-CZ 4.03Å; F563-F568 WeakPolarHBondContact CB-O 3.44Å; F563-F568 HydrophobicContact CD1-CZ 4.38Å; F563-F568 HydrophobicContact CD2-CD2 4.21Å; F563-F568 HydrophobicContact CD2-CE1 4.26Å; F563-F568 AromaticContact CD2-CE2 3.49Å; F563-F568 HydrophobicContact CD2-CE2 3.49Å; F563-F568 VanDerWaalsContact CD2-CE2 3.49Å; F563-F568 AromaticContact CD2-CZ 3.52Å; F563-F568 HydrophobicContact CD2-CZ 3.52Å; F563-F568 AromaticContact CE2-CE2 3.9Å; F563-F568 HydrophobicContact CE2-CE2 3.9Å; F563-F568 AromaticContact CE2-CZ 3.97Å; F563-F568 HydrophobicContact CE2-CZ 3.97Å; F563-F568 HydrophobicContact CG-CE1 4.09Å; F563-F568 HydrophobicContact CG-CE2 4.15Å; F563-F568 AromaticContact CG-CZ 3.74Å; F563-F568 HydrophobicContact CG-CZ 3.74Å; F563-F568 PolarHBondContact N-O 3.2Å; F563-F568 PolarHBondContact O-N 3.18Å; F563-E570 HydrophobicContact CE2-CB 3.85Å; F563-Y636 AromaticContact CD1-CD1 3.9Å; F563-Y636 HydrophobicContact CD1-CD1 3.9Å; F563-Y636 AromaticContact CE1-CD1 3.9Å; F563-Y636 HydrophobicContact CE1-CD1 3.9Å; F563-Y636 HydrophobicContact CE1-CG 4.42Å; F563-Y636 VanDerWaalsContact CZ-O 3.32Å; F563-Y636 WeakPolarHBondContact CZ-O 3.38Å
564	P	91.8	Very high	95.2	Very high	92 Å²	92	23.7 Å²	23.7	60%	0.597	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	-58.4	-44.6	-170.8	-23.8	33.5	0	0	0	113.1	Q566 G567 I602	P564-Q566 PolarHBondContact O-N 3Å; P564-G567 PolarHBondContact O-N 2.89Å; P564-I602 HydrophobicContact CB-CD1 4.37Å; P564-I602 HydrophobicContact CG-CD1 4.18Å
565	S	90.8	Very high	95.2	Very high	115 Å²	115	23 Å²	23	80%	0.804	14%	0.138	S	C	*	.	G	3₁₀ helix	trans	-64.2	-24.2	-179.7	-48.5	0	0	0	0	113.8	F563	F563-S565 PolarHBondContact O-N 2.88Å
566	Q	90.9	Very high	95.1	Very high	42 Å²	42	23 Å²	23	20%	0.196	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-94.7	-16.1	177.1	-66.5	71.3	19.8	0	0	111.9	F563 P564 F568 Y636	F563-Q566 HydrophobicContact CB-CB 4.12Å; F563-Q566 PolarHBondContact O-N 3.44Å; F563-Q566 VanDerWaalsContact O-N 3.12Å; P564-Q566 PolarHBondContact O-N 3Å; Q566-F568 HydrophobicContact CB-CD1 3.62Å; Q566-F568 HydrophobicContact CB-CE1 3.57Å; Q566-F568 HydrophobicContact CG-CE1 4.22Å; Q566-Y636 HydrophobicContact CG-CD1 4.35Å; Q566-Y636 HydrophobicContact CG-CE1 4.14Å; Q566-Y636 HydrophobicContact CG-CE2 4.41Å; Q566-Y636 PolarHBondContact NE2-OH 3.42Å
567	G	90.9	Very high	95	Very high	23 Å²	23	24.6 Å²	24.6	24%	0.237	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	25.1	176.9	0	0	0	0	0	115.1	F563 P564 N604	F563-G567 PolarHBondContact O-N 2.88Å; P564-G567 PolarHBondContact O-N 2.89Å; G567-N604 WeakPolarHBondContact O-CB 3.41Å; G567-N604 PolarHBondContact O-ND2 3.33Å
568	F	95.4	Very high	94.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	164.8	179.3	81.5	-87.7	0	0	0	113.7	F563 Q566 E570 I602 N604 L606 I628 K632 I637	F563-F568 CarbonylContact C-O 3.52Å; F563-F568 WeakPolarHBondContact CA-O 3.44Å; F563-F568 HydrophobicContact CB-CD1 4.18Å; F563-F568 HydrophobicContact CB-CE1 3.89Å; F563-F568 HydrophobicContact CB-CE2 4.46Å; F563-F568 HydrophobicContact CB-CZ 4.03Å; F563-F568 WeakPolarHBondContact CB-O 3.44Å; F563-F568 HydrophobicContact CD1-CZ 4.38Å; F563-F568 HydrophobicContact CD2-CD2 4.21Å; F563-F568 HydrophobicContact CD2-CE1 4.26Å; F563-F568 AromaticContact CD2-CE2 3.49Å; F563-F568 HydrophobicContact CD2-CE2 3.49Å; F563-F568 VanDerWaalsContact CD2-CE2 3.49Å; F563-F568 AromaticContact CD2-CZ 3.52Å; F563-F568 HydrophobicContact CD2-CZ 3.52Å; F563-F568 AromaticContact CE2-CE2 3.9Å; F563-F568 HydrophobicContact CE2-CE2 3.9Å; F563-F568 AromaticContact CE2-CZ 3.97Å; F563-F568 HydrophobicContact CE2-CZ 3.97Å; F563-F568 HydrophobicContact CG-CE1 4.09Å; F563-F568 HydrophobicContact CG-CE2 4.15Å; F563-F568 AromaticContact CG-CZ 3.74Å; F563-F568 HydrophobicContact CG-CZ 3.74Å; F563-F568 PolarHBondContact N-O 3.2Å; F563-F568 PolarHBondContact O-N 3.18Å; Q566-F568 HydrophobicContact CB-CD1 3.62Å; Q566-F568 HydrophobicContact CB-CE1 3.57Å; Q566-F568 HydrophobicContact CG-CE1 4.22Å; F568-E570 HydrophobicContact CE2-CB 4.38Å; F568-I602 VanDerWaalsContact C-CG2 3.42Å; F568-N604 CarbonylContact C-O 3.58Å; F568-N604 VanDerWaalsContact CA-O 3.27Å; F568-N604 WeakPolarHBondContact CA-O 3.23Å; F568-N604 HydrophobicContact CB-CB 3.84Å; F568-L606 HydrophobicContact CD2-CB 4.3Å; F568-L606 HydrophobicContact CD2-CD1 3.83Å; F568-L606 HydrophobicContact CD2-CG 4.13Å; F568-L606 HydrophobicContact CE2-CD1 4.04Å; F568-L606 HydrophobicContact CG-CD1 4.25Å; F568-I628 HydrophobicContact CB-CD1 4.2Å; F568-K632 WeakPolarHBondContact CE1-O 3.4Å; F568-I637 HydrophobicContact CE2-CG2 3.44Å; F568-I637 VanDerWaalsContact CE2-CG2 3.44Å; F568-I637 HydrophobicContact CZ-CG2 3.75Å
569	T	96.6	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.2	167.7	-78.9	0	0	0	0	110.2	F560 R561 H597 N604 F605 L606	F560-T569 HydrophobicContact CB-CG2 3.78Å; F560-T569 HydrophobicContact CD2-CG2 3.83Å; F560-T569 HydrophobicContact CG-CG2 4.2Å; R561-T569 CarbonylContact O-C 3.42Å; R561-T569 WeakPolarHBondContact O-CA 3.36Å; T569-H597 WeakPolarHBondContact CG2-NE2 3.4Å; T569-H597 PolarHBondContact OG1-CD2 3.16Å; T569-H597 PolarHBondContact OG1-NE2 3.16Å; T569-N604 PolarHBondContact N-O 3.4Å; T569-F605 HydrophobicContact CG2-CD1 4.27Å; T569-F605 HydrophobicContact CG2-CE1 4.37Å; T569-F605 WeakPolarHBondContact O-CA 3.37Å; T569-L606 PolarHBondContact O-N 3.11Å
570	E	96.6	Very high	93.2	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.3	166.6	-177.2	-179.4	-149	0	0	109.3	F560 R561 F563 F568 V572 L606 I637 K638	F560-E570 CarbonylContact C-O 3.35Å; F560-E570 WeakPolarHBondContact CA-O 3.45Å; F560-E570 WeakPolarHBondContact CB-O 3.36Å; R561-E570 HydrophobicContact CB-CB 4.46Å; R561-E570 PolarHBondContact N-O 2.89Å; R561-E570 PolarHBondContact O-N 3.14Å; F563-E570 HydrophobicContact CE2-CB 3.85Å; F568-E570 HydrophobicContact CE2-CB 4.38Å; E570-V572 HydrophobicContact CG-CG2 3.93Å; E570-L606 CarbonylContact C-O 3.48Å; E570-L606 WeakPolarHBondContact CA-O 3.32Å; E570-I637 HydrophobicContact CB-CG2 4.13Å; E570-I637 HydrophobicContact CG-CB 4.38Å; E570-I637 HydrophobicContact CG-CG2 4.08Å; E570-I637 WeakPolarHBondContact OE1-CA 3.38Å; E570-I637 WeakPolarHBondContact OE1-CB 3.48Å; E570-K638 PolarHBondContact OE1-N 3.23Å
571	I	97.1	Very high	92.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.2	165.7	-64.1	176	0	0	0	107.5	I558 C574 M590 L593 F605 L606 T607 F622	I558-I571 HydrophobicContact CG2-CG1 4.43Å; I558-I571 HydrophobicContact CG2-CG2 3.65Å; I571-C574 HydrophobicContact CG2-CB 4.41Å; I571-M590 HydrophobicContact CD1-CE 4.15Å; I571-M590 HydrophobicContact CD1-SD 4.45Å; I571-L593 HydrophobicContact CD1-CD2 3.67Å; I571-L593 HydrophobicContact CG1-CD2 4.19Å; I571-F605 HydrophobicContact CD1-CB 4.33Å; I571-F605 HydrophobicContact CD1-CD2 4.01Å; I571-F605 HydrophobicContact CD1-CE2 4.48Å; I571-F605 HydrophobicContact CD1-CG 4.17Å; I571-L606 PolarHBondContact N-O 2.95Å; I571-T607 PolarHBondContact O-OG1 3.1Å; I571-F622 HydrophobicContact CD1-CE1 4.4Å; I571-F622 HydrophobicContact CD1-CZ 3.84Å
572	V	95.3	Very high	91.4	Very high	16 Å²	16	41.4 Å²	41.4	10%	0.097	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-47.2	-172.1	178	0	0	0	0	111	L537 C559 E570	L537-V572 HydrophobicContact CD1-CG1 3.64Å; C559-V572 PolarHBondContact O-N 3.23Å; E570-V572 HydrophobicContact CG-CG2 3.93Å
573	F	96	Very high	90.8	Very high	3 Å²	3	44.2 Å²	44.2	1%	0.013	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.5	176.7	-52.5	-52.4	0	0	0	110.3	F522 L526 M529 Y533 I534 L537 V538 I558 C559	F522-F573 HydrophobicContact CD1-CB 3.59Å; F522-F573 HydrophobicContact CD1-CG 4.39Å; F522-F573 HydrophobicContact CD2-CB 4.35Å; F522-F573 HydrophobicContact CD2-CD2 4.21Å; F522-F573 HydrophobicContact CE1-CB 3.57Å; F522-F573 HydrophobicContact CE2-CB 4.31Å; F522-F573 HydrophobicContact CE2-CD2 4.47Å; F522-F573 HydrophobicContact CG-CB 4.02Å; F522-F573 HydrophobicContact CG-CD2 4.37Å; F522-F573 HydrophobicContact CG-CG 4.37Å; F522-F573 HydrophobicContact CZ-CB 3.95Å; L526-F573 HydrophobicContact CD1-CB 3.95Å; L526-F573 HydrophobicContact CD1-CD1 3.7Å; L526-F573 HydrophobicContact CD1-CG 4.11Å; M529-F573 HydrophobicContact CG-CE1 4.32Å; Y533-F573 HydrophobicContact CD1-CE1 4.48Å; Y533-F573 HydrophobicContact CD1-CZ 4.08Å; Y533-F573 HydrophobicContact CE1-CE1 4.18Å; Y533-F573 AromaticContact CE1-CZ 3.92Å; Y533-F573 HydrophobicContact CE1-CZ 3.92Å; I534-F573 HydrophobicContact CB-CE2 4.31Å; I534-F573 HydrophobicContact CB-CZ 4.26Å; I534-F573 HydrophobicContact CG1-CE1 4.21Å; I534-F573 HydrophobicContact CG1-CE2 4.32Å; I534-F573 HydrophobicContact CG1-CZ 3.88Å; I534-F573 HydrophobicContact CG2-CE2 4.17Å; L537-F573 HydrophobicContact CB-CE2 4.09Å; L537-F573 HydrophobicContact CD1-CZ 4.28Å; V538-F573 HydrophobicContact CG2-CD2 4.22Å; V538-F573 HydrophobicContact CG2-CE2 4.24Å; I558-F573 CarbonylContact C-O 3.56Å; I558-F573 VanDerWaalsContact CA-O 3.29Å; I558-F573 WeakPolarHBondContact CA-O 3.45Å; I558-F573 WeakPolarHBondContact CG2-O 3.2Å; C559-F573 HydrophobicContact CB-CB 3.95Å; C559-F573 HydrophobicContact CB-CD2 3.83Å; C559-F573 HydrophobicContact CB-CG 4.32Å; C559-F573 PolarHBondContact N-O 3.08Å; C559-F573 PolarHBondContact O-N 3.41Å; C559-F573 VanDerWaalsContact O-N 3.16Å
574	C	95.7	Very high	90.4	Very high	33 Å²	33	44.2 Å²	44.2	22%	0.223	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	113.3	175.4	171.9	0	0	0	0	108.5	I558 I571 F617	I558-C574 HydrophobicContact CG1-CB 4.13Å; I558-C574 HydrophobicContact CG2-CB 4.46Å; I571-C574 HydrophobicContact CG2-CB 4.41Å; C574-F617 HydrophobicContact CB-CZ 4.17Å
575	A	94.9	Very high	90.4	Very high	8 Å²	8	40 Å²	40	7%	0.066	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.5	-176.2	0	0	0	0	0	113.1	V521 F522 Q525 G556 G557	V521-A575 HydrophobicContact CG1-CB 4.26Å; F522-A575 HydrophobicContact CD1-CB 3.67Å; F522-A575 HydrophobicContact CE1-CB 3.96Å; Q525-A575 HydrophobicContact CB-CB 3.85Å; Q525-A575 HydrophobicContact CG-CB 4.27Å; G556-A575 CarbonylContact C-O 3.57Å; G556-A575 WeakPolarHBondContact CA-O 3.42Å; G557-A575 PolarHBondContact N-O 3.45Å; G557-A575 PolarHBondContact O-N 2.92Å
576	V	94.4	Very high	90.5	Very high	14 Å²	14	35.4 Å²	35.4	9%	0.085	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.6	169.4	179.6	0	0	0	0	106.9	Q525 I555 E580 Q581 L589	Q525-V576 PolarHBondContact OE1-O 3.38Å; I555-V576 WeakPolarHBondContact O-CA 3.12Å; V576-E580 HydrophobicContact CG1-CB 3.97Å; V576-Q581 HydrophobicContact CB-CG 4.16Å; V576-Q581 HydrophobicContact CG1-CG 4.39Å; V576-Q581 WeakPolarHBondContact O-CG 3.35Å; V576-Q581 PolarHBondContact O-NE2 3.45Å; V576-L589 HydrophobicContact CG2-CD2 4.43Å
577	T	92.6	Very high	90.5	Very high	34 Å²	34	35.3 Å²	35.3	21%	0.209	21%	0.208	C	C	.	.			trans	-57.5	138.3	176.7	51.9	0	0	0	0	111.3	V521 I555 N579 E580 Q581	V521-T577 HydrophobicContact CB-CG2 4.49Å; V521-T577 HydrophobicContact CG1-CG2 4.05Å; V521-T577 HydrophobicContact CG2-CG2 3.67Å; I555-T577 WeakPolarHBondContact O-CG2 3.4Å; I555-T577 PolarHBondContact O-N 2.71Å; I555-T577 PolarHBondContact O-OG1 2.89Å; I555-T577 VanDerWaalsContact O-OG1 3.08Å; T577-N579 PolarHBondContact O-N 3.25Å; T577-N579 VanDerWaalsContact O-N 3.09Å; T577-E580 CarbonylContact O-C 3.59Å; T577-E580 WeakPolarHBondContact O-CA 3.25Å; T577-E580 PolarHBondContact O-N 2.93Å; T577-Q581 PolarHBondContact O-N 2.82Å
578	S	86.1	Confident	90.6	Very high	67 Å²	67	34.2 Å²	34.2	47%	0.469	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-52.5	-38.3	-171.3	-47.1	0	0	0	0	113.7	Q525 E580 Q581	Q525-S578 PolarHBondContact NE2-OG 2.87Å; Q525-S578 PolarHBondContact OE1-OG 3.23Å; Q525-S578 VanDerWaalsContact OE1-OG 3.14Å; S578-E580 PolarHBondContact O-N 3.39Å; S578-Q581 PolarHBondContact O-N 3.22Å
579	N	84.7	Confident	90.6	Very high	141 Å²	141	34.2 Å²	34.2	75%	0.754	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-67.5	-18.1	179.4	-58.2	7	0	0	0	113.9	T577 K583	T577-N579 PolarHBondContact O-N 3.25Å; T577-N579 VanDerWaalsContact O-N 3.09Å; N579-K583 VanDerWaalsContact O-CE 3.25Å; N579-K583 WeakPolarHBondContact O-CE 3.28Å; N579-K583 PolarHBondContact O-NZ 3.32Å
580	E	85.4	Confident	90.5	Very high	26 Å²	26	34.2 Å²	34.2	12%	0.121	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-113.8	-3.4	-179.6	-60.5	-70.8	-153.7	0	0	112.2	K550 I555 V576 T577 S578 K583 Y585	K550-E580 WeakPolarHBondContact CD-OE1 3.16Å; K550-E580 IonicContact NZ-OE1 3.73Å; K550-E580 PolarHBondContact NZ-OE1 2.9Å; K550-E580 IonicContact NZ-OE2 2.95Å; I555-E580 HydrophobicContact CB-CG 4.21Å; I555-E580 HydrophobicContact CD1-CB 4.26Å; I555-E580 HydrophobicContact CD1-CG 4.1Å; I555-E580 HydrophobicContact CG2-CG 4.27Å; V576-E580 HydrophobicContact CG1-CB 3.97Å; T577-E580 CarbonylContact O-C 3.59Å; T577-E580 WeakPolarHBondContact O-CA 3.25Å; T577-E580 PolarHBondContact O-N 2.93Å; S578-E580 PolarHBondContact O-N 3.39Å; E580-K583 VanDerWaalsContact OE2-CD 3.26Å; E580-K583 WeakPolarHBondContact OE2-CD 3.34Å; E580-K583 WeakPolarHBondContact OE2-CE 3.32Å; E580-K583 IonicContact OE2-NZ 2.62Å; E580-K583 PolarHBondContact OE2-NZ 3.47Å; E580-Y585 HydrophobicContact CB-CD2 3.93Å; E580-Y585 HydrophobicContact CB-CE2 3.86Å; E580-Y585 HydrophobicContact CG-CE2 4.36Å; E580-Y585 VanDerWaalsContact O-CD2 3.27Å; E580-Y585 WeakPolarHBondContact O-CD2 3.47Å; E580-Y585 WeakPolarHBondContact OE2-CE2 3.42Å
581	Q	80.2	Confident	90.4	Very high	85 Å²	85	34.1 Å²	34.1	40%	0.397	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	165.9	169.1	-71.6	-178.9	20.6	0	0	111.3	V576 T577 S578 K583	V576-Q581 HydrophobicContact CB-CG 4.16Å; V576-Q581 HydrophobicContact CG1-CG 4.39Å; V576-Q581 WeakPolarHBondContact O-CG 3.35Å; V576-Q581 PolarHBondContact O-NE2 3.45Å; T577-Q581 PolarHBondContact O-N 2.82Å; S578-Q581 PolarHBondContact O-N 3.22Å; Q581-K583 PolarHBondContact O-N 3.38Å
582	V	74.3	Confident	90.3	Very high	105 Å²	105	35.7 Å²	35.7	64%	0.636	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	-21.5	178.9	-167.6	0	0	0	0	114.9	R481 G584	R481-V582 VanDerWaalsContact CD-O 3.24Å; R481-V582 WeakPolarHBondContact CD-O 3.29Å; R481-V582 PolarHBondContact NE-O 2.88Å; R481-V582 PolarHBondContact NH1-O 2.99Å; V582-G584 VanDerWaalsContact C-N 3.32Å; V582-G584 PolarHBondContact O-N 3.38Å
583	K	82.3	Confident	90.4	Very high	99 Å²	99	34.9 Å²	34.9	43%	0.43	20%	0.199	S	C	.	.	S	Bend	trans	-70.7	-15.6	-179.2	-65.9	178.8	-168	171.4	0	115.7	R481 N579 E580 Q581 Y585	R481-K583 WeakPolarHBondContact CB-O 3Å; N579-K583 VanDerWaalsContact O-CE 3.25Å; N579-K583 WeakPolarHBondContact O-CE 3.28Å; N579-K583 PolarHBondContact O-NZ 3.32Å; E580-K583 VanDerWaalsContact OE2-CD 3.26Å; E580-K583 WeakPolarHBondContact OE2-CD 3.34Å; E580-K583 WeakPolarHBondContact OE2-CE 3.32Å; E580-K583 IonicContact OE2-NZ 2.62Å; E580-K583 PolarHBondContact OE2-NZ 3.47Å; Q581-K583 PolarHBondContact O-N 3.38Å; K583-Y585 HydrophobicContact CB-CD2 4.2Å; K583-Y585 HydrophobicContact CB-CE2 4.01Å; K583-Y585 HydrophobicContact CD-CE2 4.07Å
584	G	86.1	Confident	90.4	Very high	12 Å²	12	35.2 Å²	35.2	12%	0.124	20%	0.2	C	C	.	.	S	Bend	trans	120	-22.7	176	0	0	0	0	0	114.5	V582 G586 T587 H588	V582-G584 VanDerWaalsContact C-N 3.32Å; V582-G584 PolarHBondContact O-N 3.38Å; G584-G586 PolarHBondContact O-N 3.46Å; G584-T587 PolarHBondContact O-N 3.02Å; G584-H588 PolarHBondContact O-N 3.32Å
585	Y	91.8	Very high	90.3	Very high	4 Å²	4	35 Å²	35	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-49.5	-38.1	-175.4	-58.6	-53	0	0	0	114.9	A485 E488 I494 L548 K550 I555 E580 K583 T587 H588 L589	A485-Y585 HydrophobicContact CB-CD1 3.83Å; A485-Y585 HydrophobicContact CB-CE1 4.23Å; E488-Y585 VanDerWaalsContact CD-OH 3.31Å; E488-Y585 PolarHBondContact OE1-OH 3.23Å; E488-Y585 VanDerWaalsContact OE2-CE1 3.29Å; E488-Y585 WeakPolarHBondContact OE2-CE1 3.15Å; E488-Y585 VanDerWaalsContact OE2-CZ 3.31Å; E488-Y585 PolarHBondContact OE2-OH 2.99Å; I494-Y585 HydrophobicContact CD1-CD1 4.04Å; I494-Y585 HydrophobicContact CD1-CE1 3.99Å; I494-Y585 HydrophobicContact CG2-CE1 4.16Å; L548-Y585 HydrophobicContact CD2-CD1 4.19Å; L548-Y585 HydrophobicContact CD2-CG 3.93Å; K550-Y585 PolarHBondContact NZ-OH 3.38Å; I555-Y585 HydrophobicContact CD1-CD2 4.06Å; I555-Y585 HydrophobicContact CD1-CE2 4Å; I555-Y585 HydrophobicContact CD1-CG 4.48Å; E580-Y585 HydrophobicContact CB-CD2 3.93Å; E580-Y585 HydrophobicContact CB-CE2 3.86Å; E580-Y585 HydrophobicContact CG-CE2 4.36Å; E580-Y585 VanDerWaalsContact O-CD2 3.27Å; E580-Y585 WeakPolarHBondContact O-CD2 3.47Å; E580-Y585 WeakPolarHBondContact OE2-CE2 3.42Å; K583-Y585 HydrophobicContact CB-CD2 4.2Å; K583-Y585 HydrophobicContact CB-CE2 4.01Å; K583-Y585 HydrophobicContact CD-CE2 4.07Å; Y585-T587 VanDerWaalsContact C-N 3.35Å; Y585-T587 PolarHBondContact O-N 2.62Å; Y585-H588 PolarHBondContact O-N 2.85Å; Y585-L589 WeakPolarHBondContact O-CB 3.48Å; Y585-L589 PolarHBondContact O-N 3.06Å
586	G	92.4	Very high	90.4	Very high	18 Å²	18	36.9 Å²	36.9	19%	0.186	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-39.2	177.9	0	0	0	0	0	113.6	G584 M590 Y616	G584-G586 PolarHBondContact O-N 3.46Å; G586-M590 WeakPolarHBondContact O-CB 3.46Å; G586-M590 PolarHBondContact O-N 3.09Å; G586-M590 VanDerWaalsContact O-N 3.11Å; G586-Y616 PolarHBondContact O-OH 3.4Å
587	T	91.8	Very high	90.4	Very high	39 Å²	39	36.2 Å²	36.2	24%	0.239	20%	0.198	C	C	.	.	H	α-helix	trans	-67.7	-44.8	173.4	-60.9	0	0	0	0	110.8	G584 Y585 L589 M590 N591 Q620	G584-T587 PolarHBondContact O-N 3.02Å; Y585-T587 VanDerWaalsContact C-N 3.35Å; Y585-T587 PolarHBondContact O-N 2.62Å; T587-L589 PolarHBondContact O-N 2.9Å; T587-M590 WeakPolarHBondContact O-CB 3.26Å; T587-M590 PolarHBondContact O-N 3.28Å; T587-M590 VanDerWaalsContact O-N 3.16Å; T587-N591 VanDerWaalsContact O-CG 3.27Å; T587-N591 PolarHBondContact O-N 3.49Å; T587-N591 PolarHBondContact O-ND2 2.83Å; T587-Q620 PolarHBondContact OG1-NE2 2.93Å
588	H	92.7	Very high	90.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-41.3	-178.5	-158.9	37.3	0	0	0	112.3	A485 E489 F496 G584 Y585 M590 N591 H592	A485-H588 HydrophobicContact CB-CB 3.96Å; E489-H588 IonicContact OE2-CD2 3.71Å; E489-H588 IonicContact OE2-CE1 3.51Å; E489-H588 PolarHBondContact OE2-CE1 2.87Å; E489-H588 IonicContact OE2-NE2 2.66Å; E489-H588 PolarHBondContact OE2-NE2 3.45Å; F496-H588 AromaticContact CE2-CD2 3.56Å; F496-H588 AromaticContact CE2-NE2 3.88Å; F496-H588 HydrophobicContact CZ-CB 4.37Å; F496-H588 AromaticContact CZ-CD2 3.53Å; G584-H588 PolarHBondContact O-N 3.32Å; Y585-H588 PolarHBondContact O-N 2.85Å; H588-M590 PolarHBondContact O-N 3.42Å; H588-N591 WeakPolarHBondContact O-CB 3.37Å; H588-N591 PolarHBondContact O-N 3.47Å; H588-H592 AromaticContact CE1-CD2 3.92Å; H588-H592 AromaticContact CE1-NE2 3.75Å; H588-H592 AromaticContact NE2-CD2 3.9Å; H588-H592 AromaticContact NE2-NE2 3.61Å; H588-H592 PolarHBondContact O-CD2 2.81Å; H588-H592 PolarHBondContact O-N 3.46Å
589	L	94.8	Very high	90.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-40.2	172.1	-179.7	63.7	0	0	0	112.6	F496 L546 L548 I558 V576 Y585 T587 L593	F496-L589 HydrophobicContact CD1-CD1 3.86Å; F496-L589 HydrophobicContact CE1-CB 3.95Å; F496-L589 HydrophobicContact CE1-CD1 3.77Å; F496-L589 HydrophobicContact CE1-CG 4.48Å; L546-L589 HydrophobicContact CB-CD1 4.38Å; L546-L589 HydrophobicContact CD2-CD1 3.64Å; L546-L589 HydrophobicContact CD2-CG 4.48Å; L546-L589 VanDerWaalsContact CD2-O 3.32Å; L546-L589 WeakPolarHBondContact CD2-O 3.46Å; L546-L589 HydrophobicContact CG-CD1 3.66Å; L548-L589 HydrophobicContact CB-CD1 4.3Å; I558-L589 HydrophobicContact CD1-CD2 4.24Å; I558-L589 HydrophobicContact CD1-CG 3.87Å; I558-L589 HydrophobicContact CG1-CD2 3.84Å; I558-L589 HydrophobicContact CG1-CG 3.89Å; V576-L589 HydrophobicContact CG2-CD2 4.43Å; Y585-L589 WeakPolarHBondContact O-CB 3.48Å; Y585-L589 PolarHBondContact O-N 3.06Å; T587-L589 PolarHBondContact O-N 2.9Å; L589-L593 WeakPolarHBondContact O-CB 3.3Å; L589-L593 PolarHBondContact O-N 3.27Å
590	M	95.6	Very high	91.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-70	-36	173.6	-177.5	62	66.9	0	0	112.3	I558 I571 G586 T587 H588 L593 K594 F605 Y616 F617 Q620 F622	I558-M590 HydrophobicContact CD1-CE 3.84Å; I558-M590 HydrophobicContact CD1-SD 4.46Å; I571-M590 HydrophobicContact CD1-CE 4.15Å; I571-M590 HydrophobicContact CD1-SD 4.45Å; G586-M590 WeakPolarHBondContact O-CB 3.46Å; G586-M590 PolarHBondContact O-N 3.09Å; G586-M590 VanDerWaalsContact O-N 3.11Å; T587-M590 WeakPolarHBondContact O-CB 3.26Å; T587-M590 PolarHBondContact O-N 3.28Å; T587-M590 VanDerWaalsContact O-N 3.16Å; H588-M590 PolarHBondContact O-N 3.42Å; M590-L593 WeakPolarHBondContact O-CB 3.48Å; M590-L593 PolarHBondContact O-N 2.52Å; M590-L593 HydrophobicContact SD-CD2 4.01Å; M590-K594 VanDerWaalsContact O-CG 3.3Å; M590-K594 WeakPolarHBondContact O-CG 3.46Å; M590-K594 PolarHBondContact O-N 3.26Å; M590-F605 HydrophobicContact SD-CE2 4.33Å; M590-Y616 HydrophobicContact CE-CE1 4.24Å; M590-F617 HydrophobicContact CE-CD1 4.41Å; M590-F617 HydrophobicContact CE-CE1 3.96Å; M590-Q620 HydrophobicContact CB-CG 4.31Å; M590-Q620 HydrophobicContact CG-CB 3.91Å; M590-Q620 HydrophobicContact CG-CG 3.84Å; M590-F622 HydrophobicContact CE-CE2 4.19Å; M590-F622 HydrophobicContact CE-CZ 4.42Å; M590-F622 HydrophobicContact SD-CE2 4.14Å; M590-F622 HydrophobicContact SD-CZ 4.45Å
591	N	94.4	Very high	91.7	Very high	7 Å²	7	43 Å²	43	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-46.1	175.7	-70.3	-22.7	0	0	0	111.1	D482 T587 H588 L593 K594 E595 Y656	D482-N591 PolarHBondContact OD1-ND2 2.79Å; T587-N591 VanDerWaalsContact O-CG 3.27Å; T587-N591 PolarHBondContact O-N 3.49Å; T587-N591 PolarHBondContact O-ND2 2.83Å; H588-N591 WeakPolarHBondContact O-CB 3.37Å; H588-N591 PolarHBondContact O-N 3.47Å; N591-L593 VanDerWaalsContact C-N 3.33Å; N591-L593 PolarHBondContact O-N 3.24Å; N591-K594 PolarHBondContact O-N 3.45Å; N591-E595 WeakPolarHBondContact O-CB 3.5Å; N591-E595 PolarHBondContact O-N 3.31Å; N591-Y656 WeakPolarHBondContact CB-O 3.34Å; N591-Y656 VanDerWaalsContact CG-O 3.3Å; N591-Y656 PolarHBondContact ND2-O 3.46Å
592	H	95.4	Very high	92.3	Very high	37 Å²	37	39.1 Å²	39.1	17%	0.171	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-38.8	171.2	-85.8	-71.8	0	0	0	112.9	E489 F496 L546 H588 K594 E595 Y596	E489-H592 IonicContact OE1-CE1 3.94Å; E489-H592 PolarHBondContact OE1-CE1 3.13Å; E489-H592 IonicContact OE1-NE2 2.66Å; E489-H592 PolarHBondContact OE1-NE2 3.1Å; E489-H592 IonicContact OE2-CE1 3.21Å; E489-H592 IonicContact OE2-NE2 2.9Å; E489-H592 PolarHBondContact OE2-NE2 2.95Å; E489-H592 VanDerWaalsContact OE2-NE2 3.08Å; F496-H592 HydrophobicContact CD1-CB 4.34Å; F496-H592 AromaticContact CD1-CD2 3.99Å; F496-H592 AromaticContact CD2-CD2 3.5Å; F496-H592 AromaticContact CD2-NE2 3.41Å; F496-H592 WeakPolarHBondContact CD2-NE2 3.25Å; F496-H592 AromaticContact CE1-CD2 3.96Å; F496-H592 AromaticContact CE2-CD2 3.48Å; F496-H592 VanDerWaalsContact CE2-CD2 3.48Å; F496-H592 WeakPolarHBondContact CE2-CD2 3.31Å; F496-H592 AromaticContact CE2-NE2 3.54Å; F496-H592 AromaticContact CG-CD2 3.76Å; F496-H592 AromaticContact CZ-CD2 3.7Å; L546-H592 HydrophobicContact CD2-CB 4.03Å; H588-H592 AromaticContact CE1-CD2 3.92Å; H588-H592 AromaticContact CE1-NE2 3.75Å; H588-H592 AromaticContact NE2-CD2 3.9Å; H588-H592 AromaticContact NE2-NE2 3.61Å; H588-H592 PolarHBondContact O-CD2 2.81Å; H588-H592 PolarHBondContact O-N 3.46Å; H592-K594 PolarHBondContact O-N 2.67Å; H592-E595 PolarHBondContact O-N 3.49Å; H592-Y596 WeakPolarHBondContact O-CB 3.28Å; H592-Y596 PolarHBondContact O-N 2.87Å
593	L	96.9	Very high	93.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-40.9	175.4	-171	76.5	0	0	0	112.6	L546 I558 F560 I571 L589 M590 N591 H597 F605	L546-L593 HydrophobicContact CB-CD1 4.21Å; L546-L593 HydrophobicContact CD2-CB 3.89Å; L546-L593 HydrophobicContact CD2-CD1 4.14Å; I558-L593 HydrophobicContact CB-CD2 4.41Å; I558-L593 HydrophobicContact CD1-CB 4.45Å; I558-L593 HydrophobicContact CD1-CD2 3.91Å; I558-L593 HydrophobicContact CG2-CD1 4.45Å; I558-L593 HydrophobicContact CG2-CD2 3.84Å; F560-L593 HydrophobicContact CD1-CD1 3.59Å; F560-L593 HydrophobicContact CE1-CD1 3.61Å; F560-L593 HydrophobicContact CG-CD1 4.21Å; F560-L593 HydrophobicContact CZ-CD1 4.25Å; I571-L593 HydrophobicContact CD1-CD2 3.67Å; I571-L593 HydrophobicContact CG1-CD2 4.19Å; L589-L593 WeakPolarHBondContact O-CB 3.3Å; L589-L593 PolarHBondContact O-N 3.27Å; M590-L593 WeakPolarHBondContact O-CB 3.48Å; M590-L593 PolarHBondContact O-N 2.52Å; M590-L593 HydrophobicContact SD-CD2 4.01Å; N591-L593 VanDerWaalsContact C-N 3.33Å; N591-L593 PolarHBondContact O-N 3.24Å; L593-H597 PolarHBondContact O-N 3.2Å; L593-H597 PolarHBondContact O-ND1 3.43Å; L593-F605 HydrophobicContact CD2-CE2 4Å; L593-F605 HydrophobicContact CD2-CZ 4.05Å; L593-F605 HydrophobicContact CG-CE2 4.33Å; L593-F605 HydrophobicContact CG-CZ 4Å
594	K	96.2	Very high	94	Very high	9 Å²	9	33.5 Å²	33.5	4%	0.039	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-48.1	175.9	-68.4	169.5	179.2	167.9	0	110.9	M590 N591 H592 Y596 H597 I598 F605 Q620 L650 Y656	M590-K594 VanDerWaalsContact O-CG 3.3Å; M590-K594 WeakPolarHBondContact O-CG 3.46Å; M590-K594 PolarHBondContact O-N 3.26Å; N591-K594 PolarHBondContact O-N 3.45Å; H592-K594 PolarHBondContact O-N 2.67Å; K594-Y596 VanDerWaalsContact C-N 3.28Å; K594-Y596 PolarHBondContact O-N 3.16Å; K594-H597 PolarHBondContact O-N 3.05Å; K594-I598 VanDerWaalsContact O-CG1 3.31Å; K594-I598 WeakPolarHBondContact O-CG1 3.44Å; K594-I598 PolarHBondContact O-N 3.03Å; K594-F605 HydrophobicContact CG-CE2 3.75Å; K594-F605 HydrophobicContact CG-CZ 4.39Å; K594-Q620 PolarHBondContact NZ-O 3.43Å; K594-L650 HydrophobicContact CB-CD1 4.19Å; K594-L650 HydrophobicContact CB-CD2 4.34Å; K594-L650 HydrophobicContact CD-CD2 4.06Å; K594-L650 HydrophobicContact CG-CD1 4.25Å; K594-L650 HydrophobicContact CG-CD2 3.7Å; K594-Y656 HydrophobicContact CB-CD2 3.85Å; K594-Y656 HydrophobicContact CB-CE2 4.42Å; K594-Y656 HydrophobicContact CB-CG 3.95Å; K594-Y656 HydrophobicContact CD-CD1 3.48Å; K594-Y656 VanDerWaalsContact CD-CD1 3.48Å; K594-Y656 HydrophobicContact CD-CD2 4.14Å; K594-Y656 HydrophobicContact CD-CE1 3.79Å; K594-Y656 HydrophobicContact CD-CE2 4.41Å; K594-Y656 HydrophobicContact CD-CG 3.66Å; K594-Y656 HydrophobicContact CG-CG 4.47Å
595	E	94	Very high	94.5	Very high	30 Å²	30	33 Å²	33	14%	0.14	17%	0.165	C	C	.	.	H	α-helix	trans	-57.2	-41.3	178.1	-159	65.4	-143.1	0	0	111.8	N591 H592 K599 P655 Y656 T657	N591-E595 WeakPolarHBondContact O-CB 3.5Å; N591-E595 PolarHBondContact O-N 3.31Å; H592-E595 PolarHBondContact O-N 3.49Å; E595-K599 WeakPolarHBondContact O-CD 3.46Å; E595-K599 VanDerWaalsContact O-CG 3.3Å; E595-K599 WeakPolarHBondContact O-CG 3.35Å; E595-K599 PolarHBondContact O-N 3.45Å; E595-K599 IonicContact OE1-NZ 2.64Å; E595-P655 WeakPolarHBondContact OE2-CA 3.43Å; E595-Y656 PolarHBondContact OE2-N 3.25Å; E595-T657 HydrophobicContact CB-CG2 4.21Å; E595-T657 HydrophobicContact CG-CG2 4.16Å
596	Y	95.4	Very high	94.7	Very high	46 Å²	46	32.8 Å²	32.8	18%	0.18	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-41.5	173.8	178.4	-104.9	0	0	0	113	V498 K544 F560 M562 H592 K594 H600	V498-Y596 HydrophobicContact CB-CE2 4.49Å; V498-Y596 HydrophobicContact CG1-CE1 4.41Å; V498-Y596 HydrophobicContact CG1-CE2 4.39Å; V498-Y596 HydrophobicContact CG2-CD1 4.49Å; V498-Y596 HydrophobicContact CG2-CD2 3.92Å; V498-Y596 HydrophobicContact CG2-CE2 3.98Å; V498-Y596 HydrophobicContact CG2-CG 4.2Å; K544-Y596 PolarHBondContact NZ-OH 2.93Å; F560-Y596 HydrophobicContact CE2-CD1 4.33Å; F560-Y596 AromaticContact CE2-CE1 3.91Å; F560-Y596 HydrophobicContact CE2-CE1 3.91Å; F560-Y596 AromaticContact CZ-CD1 3.94Å; F560-Y596 HydrophobicContact CZ-CD1 3.94Å; F560-Y596 AromaticContact CZ-CE1 3.64Å; F560-Y596 HydrophobicContact CZ-CE1 3.64Å; M562-Y596 HydrophobicContact CE-CE1 4.45Å; M562-Y596 HydrophobicContact SD-CE1 4.19Å; H592-Y596 WeakPolarHBondContact O-CB 3.28Å; H592-Y596 PolarHBondContact O-N 2.87Å; K594-Y596 VanDerWaalsContact C-N 3.28Å; K594-Y596 PolarHBondContact O-N 3.16Å; Y596-H600 AromaticContact CD2-CD2 4Å; Y596-H600 AromaticContact CE1-CD2 3.67Å; Y596-H600 AromaticContact CE2-CD2 3.47Å; Y596-H600 VanDerWaalsContact CE2-CD2 3.47Å; Y596-H600 WeakPolarHBondContact CE2-CD2 3.25Å; Y596-H600 AromaticContact CE2-NE2 3.24Å; Y596-H600 WeakPolarHBondContact CE2-NE2 3.33Å; Y596-H600 AromaticContact CZ-CD2 3.27Å; Y596-H600 AromaticContact CZ-NE2 3.23Å; Y596-H600 PolarHBondContact O-CD2 3.16Å; Y596-H600 VanDerWaalsContact O-CD2 3.29Å; Y596-H600 PolarHBondContact O-N 3.25Å; Y596-H600 PolarHBondContact OH-CD2 2.95Å; Y596-H600 PolarHBondContact OH-NE2 2.89Å
597	H	95.8	Very high	94.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-79.5	-31.2	-177.1	-77.4	91.7	0	0	0	113.9	F560 T569 L593 K594 K599 H600 D601 I602 F605 L650	F560-H597 AromaticContact CD2-CE1 3.5Å; F560-H597 VanDerWaalsContact CD2-CE1 3.5Å; F560-H597 WeakPolarHBondContact CD2-CE1 3.48Å; F560-H597 AromaticContact CD2-NE2 3.48Å; F560-H597 WeakPolarHBondContact CD2-NE2 3.42Å; F560-H597 AromaticContact CE2-CE1 3.35Å; F560-H597 WeakPolarHBondContact CE2-CE1 3.38Å; F560-H597 AromaticContact CE2-NE2 3.4Å; F560-H597 WeakPolarHBondContact CE2-NE2 3.5Å; F560-H597 AromaticContact CZ-CE1 3.85Å; T569-H597 WeakPolarHBondContact CG2-NE2 3.4Å; T569-H597 PolarHBondContact OG1-CD2 3.16Å; T569-H597 PolarHBondContact OG1-NE2 3.16Å; L593-H597 PolarHBondContact O-N 3.2Å; L593-H597 PolarHBondContact O-ND1 3.43Å; K594-H597 PolarHBondContact O-N 3.05Å; H597-K599 VanDerWaalsContact C-N 3.3Å; H597-H600 CarbonylContact O-C 3.57Å; H597-H600 WeakPolarHBondContact O-CA 3.26Å; H597-H600 PolarHBondContact O-N 3.25Å; H597-D601 PolarHBondContact O-N 3.45Å; H597-D601 VanDerWaalsContact O-N 3.1Å; H597-I602 PolarHBondContact O-N 3.06Å; H597-F605 HydrophobicContact CB-CE1 3.75Å; H597-F605 HydrophobicContact CB-CZ 3.91Å; H597-F605 AromaticContact CD2-CE1 3.87Å; H597-F605 AromaticContact CE1-CE1 3.97Å; H597-F605 AromaticContact CG-CE1 3.44Å; H597-F605 VanDerWaalsContact CG-CE1 3.44Å; H597-F605 AromaticContact CG-CZ 3.78Å; H597-F605 AromaticContact ND1-CE1 3.53Å; H597-F605 AromaticContact ND1-CZ 3.54Å; H597-L650 HydrophobicContact CB-CD1 4.32Å
598	I	94.4	Very high	95	Very high	31 Å²	31	33.1 Å²	33.1	16%	0.159	16%	0.156	C	C	.	.	H	α-helix	trans	-62.2	-40.9	170.4	-67.6	165.8	0	0	0	110	K594 H600 D601 L603 L650 P652 Y656	K594-I598 VanDerWaalsContact O-CG1 3.31Å; K594-I598 WeakPolarHBondContact O-CG1 3.44Å; K594-I598 PolarHBondContact O-N 3.03Å; I598-H600 PolarHBondContact O-N 3.01Å; I598-D601 PolarHBondContact O-N 2.83Å; I598-L603 HydrophobicContact CG1-CD2 4.07Å; I598-L650 HydrophobicContact CD1-CB 4.43Å; I598-L650 HydrophobicContact CG1-CB 4.28Å; I598-L650 HydrophobicContact CG1-CD1 4.16Å; I598-P652 HydrophobicContact CG2-CB 3.98Å; I598-Y656 HydrophobicContact CD1-CD2 3.65Å; I598-Y656 HydrophobicContact CD1-CE2 3.58Å
599	K	93.1	Very high	95	Very high	153 Å²	153	33.1 Å²	33.1	67%	0.665	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-9	173.1	-69.3	168.5	-174.2	173.5	0	114.4	E595 H597	E595-K599 WeakPolarHBondContact O-CD 3.46Å; E595-K599 VanDerWaalsContact O-CG 3.3Å; E595-K599 WeakPolarHBondContact O-CG 3.35Å; E595-K599 PolarHBondContact O-N 3.45Å; E595-K599 IonicContact OE1-NZ 2.64Å; H597-K599 VanDerWaalsContact C-N 3.3Å
600	H	93.4	Very high	94.7	Very high	93 Å²	93	35.6 Å²	35.6	43%	0.431	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	14.8	175.8	-76.4	-54.2	0	0	0	113.1	M562 Y596 H597 I598 I602	M562-H600 HydrophobicContact CE-CB 3.75Å; Y596-H600 AromaticContact CD2-CD2 4Å; Y596-H600 AromaticContact CE1-CD2 3.67Å; Y596-H600 AromaticContact CE2-CD2 3.47Å; Y596-H600 VanDerWaalsContact CE2-CD2 3.47Å; Y596-H600 WeakPolarHBondContact CE2-CD2 3.25Å; Y596-H600 AromaticContact CE2-NE2 3.24Å; Y596-H600 WeakPolarHBondContact CE2-NE2 3.33Å; Y596-H600 AromaticContact CZ-CD2 3.27Å; Y596-H600 AromaticContact CZ-NE2 3.23Å; Y596-H600 PolarHBondContact O-CD2 3.16Å; Y596-H600 VanDerWaalsContact O-CD2 3.29Å; Y596-H600 PolarHBondContact O-N 3.25Å; Y596-H600 PolarHBondContact OH-CD2 2.95Å; Y596-H600 PolarHBondContact OH-NE2 2.89Å; H597-H600 CarbonylContact O-C 3.57Å; H597-H600 WeakPolarHBondContact O-CA 3.26Å; H597-H600 PolarHBondContact O-N 3.25Å; I598-H600 PolarHBondContact O-N 3.01Å; H600-I602 PolarHBondContact O-N 3.13Å
601	D	93.7	Very high	94.3	Very high	134 Å²	134	42 Å²	42	72%	0.717	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	31.3	179.1	-157.2	34	0	0	0	115.3	H597 I598	H597-D601 PolarHBondContact O-N 3.45Å; H597-D601 VanDerWaalsContact O-N 3.1Å; I598-D601 PolarHBondContact O-N 2.83Å
602	I	94.5	Very high	93.8	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	23%	0.23	C	C	.	.			trans	-108.9	97.4	172.7	-60.2	-173.3	0	0	0	109.1	M562 P564 F568 H597 H600	M562-I602 HydrophobicContact CB-CD1 3.93Å; M562-I602 HydrophobicContact CE-CD1 3.72Å; M562-I602 HydrophobicContact CG-CD1 4.35Å; P564-I602 HydrophobicContact CB-CD1 4.37Å; P564-I602 HydrophobicContact CG-CD1 4.18Å; F568-I602 VanDerWaalsContact C-CG2 3.42Å; H597-I602 PolarHBondContact O-N 3.06Å; H600-I602 PolarHBondContact O-N 3.13Å
603	L	94.4	Very high	93.5	Very high	46 Å²	46	49.2 Å²	49.2	24%	0.241	23%	0.231	C	C	.	.			trans	-91.2	7.2	-174.3	-57	-179.3	0	0	0	114.7	I598 E649 L650 P652	I598-L603 HydrophobicContact CG1-CD2 4.07Å; L603-E649 WeakPolarHBondContact O-CA 3.28Å; L603-L650 HydrophobicContact CB-CB 4.45Å; L603-L650 HydrophobicContact CD2-CB 4.33Å; L603-L650 PolarHBondContact O-N 3.27Å; L603-P652 HydrophobicContact CD1-CG 4.14Å; L603-P652 HydrophobicContact CD2-CB 4.17Å; L603-P652 HydrophobicContact CD2-CG 4.39Å
604	N	96.4	Very high	93.1	Very high	41 Å²	41	50.4 Å²	50.4	22%	0.219	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.4	-179	-60.4	-84.6	0	0	0	112.5	G567 F568 T569 I628 C648	G567-N604 WeakPolarHBondContact O-CB 3.41Å; G567-N604 PolarHBondContact O-ND2 3.33Å; F568-N604 CarbonylContact C-O 3.58Å; F568-N604 VanDerWaalsContact CA-O 3.27Å; F568-N604 WeakPolarHBondContact CA-O 3.23Å; F568-N604 HydrophobicContact CB-CB 3.84Å; T569-N604 PolarHBondContact N-O 3.4Å; N604-I628 HydrophobicContact CB-CD1 3.68Å; N604-I628 HydrophobicContact CB-CG1 4.42Å; N604-C648 WeakPolarHBondContact CA-O 3.39Å
605	F	97.3	Very high	92.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.9	168	-64.6	-23.6	0	0	0	111.2	T569 I571 M590 L593 K594 H597 F622 G647 C648 L650	T569-F605 HydrophobicContact CG2-CD1 4.27Å; T569-F605 HydrophobicContact CG2-CE1 4.37Å; T569-F605 WeakPolarHBondContact O-CA 3.37Å; I571-F605 HydrophobicContact CD1-CB 4.33Å; I571-F605 HydrophobicContact CD1-CD2 4.01Å; I571-F605 HydrophobicContact CD1-CE2 4.48Å; I571-F605 HydrophobicContact CD1-CG 4.17Å; M590-F605 HydrophobicContact SD-CE2 4.33Å; L593-F605 HydrophobicContact CD2-CE2 4Å; L593-F605 HydrophobicContact CD2-CZ 4.05Å; L593-F605 HydrophobicContact CG-CE2 4.33Å; L593-F605 HydrophobicContact CG-CZ 4Å; K594-F605 HydrophobicContact CG-CE2 3.75Å; K594-F605 HydrophobicContact CG-CZ 4.39Å; H597-F605 HydrophobicContact CB-CE1 3.75Å; H597-F605 HydrophobicContact CB-CZ 3.91Å; H597-F605 AromaticContact CD2-CE1 3.87Å; H597-F605 AromaticContact CE1-CE1 3.97Å; H597-F605 AromaticContact CG-CE1 3.44Å; H597-F605 VanDerWaalsContact CG-CE1 3.44Å; H597-F605 AromaticContact CG-CZ 3.78Å; H597-F605 AromaticContact ND1-CE1 3.53Å; H597-F605 AromaticContact ND1-CZ 3.54Å; F605-F622 HydrophobicContact CB-CE1 3.74Å; F605-F622 HydrophobicContact CB-CZ 3.79Å; F605-F622 HydrophobicContact CD2-CE2 4.47Å; F605-F622 AromaticContact CD2-CZ 3.8Å; F605-F622 HydrophobicContact CD2-CZ 3.8Å; F605-F622 HydrophobicContact CG-CZ 4.28Å; F605-G647 CarbonylContact O-C 3.52Å; F605-G647 VanDerWaalsContact O-CA 3.26Å; F605-G647 WeakPolarHBondContact O-CA 3.4Å; F605-C648 HydrophobicContact CB-CB 4.28Å; F605-C648 PolarHBondContact N-O 2.89Å; F605-C648 PolarHBondContact O-N 3.14Å; F605-L650 HydrophobicContact CD2-CD2 4.24Å; F605-L650 HydrophobicContact CE1-CD1 4.11Å; F605-L650 HydrophobicContact CE2-CD1 4.04Å; F605-L650 HydrophobicContact CE2-CD2 4.18Å; F605-L650 HydrophobicContact CZ-CD1 3.79Å
606	L	96.8	Very high	92.8	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.4	166.5	-66.8	179	0	0	0	109.4	F568 T569 E570 I571 I626 I628 Y633 I637 M646	F568-L606 HydrophobicContact CD2-CB 4.3Å; F568-L606 HydrophobicContact CD2-CD1 3.83Å; F568-L606 HydrophobicContact CD2-CG 4.13Å; F568-L606 HydrophobicContact CE2-CD1 4.04Å; F568-L606 HydrophobicContact CG-CD1 4.25Å; T569-L606 PolarHBondContact O-N 3.11Å; E570-L606 CarbonylContact C-O 3.48Å; E570-L606 WeakPolarHBondContact CA-O 3.32Å; I571-L606 PolarHBondContact N-O 2.95Å; L606-I626 HydrophobicContact CD2-CD1 4.49Å; L606-I626 HydrophobicContact CD2-CG1 4.49Å; L606-I626 HydrophobicContact CD2-CG2 3.83Å; L606-I628 HydrophobicContact CD1-CD1 4.1Å; L606-I628 HydrophobicContact CD2-CD1 3.86Å; L606-I628 HydrophobicContact CG-CD1 3.92Å; L606-Y633 HydrophobicContact CD1-CD1 3.81Å; L606-Y633 HydrophobicContact CD1-CD2 4.11Å; L606-Y633 HydrophobicContact CD1-CG 3.54Å; L606-I637 HydrophobicContact CD1-CD1 4.41Å; L606-I637 HydrophobicContact CD1-CG2 4.34Å; L606-M646 WeakPolarHBondContact CA-O 3.47Å
607	T	95.7	Very high	92.8	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.037	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	142	179.1	-171.1	0	0	0	0	111.1	I571 F617 F622 L645 M646	I571-T607 PolarHBondContact O-OG1 3.1Å; T607-F617 HydrophobicContact CG2-CD1 3.93Å; T607-F617 HydrophobicContact CG2-CD2 4.41Å; T607-F617 HydrophobicContact CG2-CE1 3.88Å; T607-F617 HydrophobicContact CG2-CE2 4.35Å; T607-F617 HydrophobicContact CG2-CG 4.21Å; T607-F617 HydrophobicContact CG2-CZ 4.1Å; T607-F622 HydrophobicContact CG2-CD1 3.69Å; T607-F622 HydrophobicContact CG2-CE1 3.65Å; T607-L645 WeakPolarHBondContact O-CA 3.26Å; T607-M646 HydrophobicContact CG2-CB 4.07Å; T607-M646 PolarHBondContact N-O 3.13Å; T607-M646 PolarHBondContact O-N 3.43Å
608	Y	94.3	Very high	92.8	Very high	57 Å²	57	57.2 Å²	57.2	22%	0.224	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	100.9	165.6	-90.2	-78.7	0	0	0	108.8	I637 K638 D639 Y640 A643 L645	Y608-I637 HydrophobicContact CE2-CD1 3.89Å; Y608-I637 HydrophobicContact CE2-CG1 4.38Å; Y608-K638 WeakPolarHBondContact CD2-O 3.32Å; Y608-K638 VanDerWaalsContact CE2-O 3.31Å; Y608-K638 WeakPolarHBondContact CE2-O 3.48Å; Y608-D639 WeakPolarHBondContact CE2-OD1 3.21Å; Y608-D639 VanDerWaalsContact CZ-OD1 3.26Å; Y608-D639 PolarHBondContact OH-OD1 3.05Å; Y608-Y640 AromaticContact CD2-CD2 3.87Å; Y608-Y640 HydrophobicContact CD2-CD2 3.87Å; Y608-Y640 HydrophobicContact CD2-CE2 4.48Å; Y608-Y640 AromaticContact CG-CD2 3.84Å; Y608-Y640 HydrophobicContact CG-CD2 3.84Å; Y608-A643 HydrophobicContact CD1-CB 3.82Å; Y608-A643 HydrophobicContact CG-CB 4.35Å; Y608-L645 HydrophobicContact CD1-CB 4.14Å; Y608-L645 HydrophobicContact CD2-CD1 3.9Å; Y608-L645 HydrophobicContact CE1-CB 3.66Å; Y608-L645 HydrophobicContact CE1-CD1 4.48Å; Y608-L645 HydrophobicContact CE2-CB 4.38Å; Y608-L645 HydrophobicContact CE2-CD1 3.74Å; Y608-L645 HydrophobicContact CE2-CG 4.45Å; Y608-L645 HydrophobicContact CG-CD1 4.36Å
609	A	92.6	Very high	92.6	Very high	2 Å²	2	62.7 Å²	62.7	2%	0.017	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.2	179.6	0	0	0	0	0	111	I614 F617 A643 T644 M646	A609-I614 HydrophobicContact CB-CG1 3.95Å; A609-F617 HydrophobicContact CB-CD2 3.61Å; A609-F617 HydrophobicContact CB-CE2 4.03Å; A609-F617 HydrophobicContact CB-CG 4.46Å; A609-A643 WeakPolarHBondContact O-CA 3.45Å; A609-T644 PolarHBondContact N-O 3.37Å; A609-T644 PolarHBondContact O-N 2.95Å; A609-M646 HydrophobicContact CB-CG 4.36Å; A609-M646 HydrophobicContact CB-SD 3.91Å
610	D	89.4	Confident	92.6	Very high	51 Å²	51	56 Å²	56	27%	0.273	27%	0.271	S	S	.	.			trans	-73.3	167.2	167.9	80.5	-23.1	0	0	0	111.3	Y612 A613 I614	D610-Y612 PolarHBondContact O-N 3.22Å; D610-Y612 VanDerWaalsContact O-N 3.12Å; D610-Y612 WeakPolarHBondContact OD2-CD2 3.23Å; D610-A613 PolarHBondContact O-N 2.92Å; D610-A613 VanDerWaalsContact O-N 3.11Å; D610-A613 WeakPolarHBondContact OD1-CB 3.24Å; D610-A613 PolarHBondContact OD1-N 2.79Å; D610-I614 WeakPolarHBondContact O-CG1 3.4Å; D610-I614 PolarHBondContact O-N 3.13Å
611	E	85.3	Confident	92.5	Very high	134 Å²	134	54 Å²	54	63%	0.626	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.4	-174.1	-60.8	-175.7	121.5	0	0	113.2
612	Y	84.9	Confident	92.7	Very high	172 Å²	172	47.9 Å²	47.9	68%	0.675	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-42	178.1	-53.7	-67.7	0	0	0	111.9	D610	D610-Y612 PolarHBondContact O-N 3.22Å; D610-Y612 VanDerWaalsContact O-N 3.12Å; D610-Y612 WeakPolarHBondContact OD2-CD2 3.23Å
613	A	88.1	Confident	92.7	Very high	24 Å²	24	50 Å²	50	20%	0.198	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-19.8	-179.2	0	0	0	0	0	114.4	D610 G615 Y616 F617	D610-A613 PolarHBondContact O-N 2.92Å; D610-A613 VanDerWaalsContact O-N 3.11Å; D610-A613 WeakPolarHBondContact OD1-CB 3.24Å; D610-A613 PolarHBondContact OD1-N 2.79Å; A613-G615 PolarHBondContact O-N 2.87Å; A613-G615 VanDerWaalsContact O-N 3.15Å; A613-Y616 WeakPolarHBondContact O-CA 3.39Å; A613-Y616 WeakPolarHBondContact O-CB 3.35Å; A613-Y616 PolarHBondContact O-N 3.25Å; A613-F617 HydrophobicContact CB-CD2 3.83Å; A613-F617 HydrophobicContact CB-CE2 3.81Å; A613-F617 WeakPolarHBondContact O-CD2 3.36Å; A613-F617 PolarHBondContact O-N 3.45Å
614	I	90.4	Very high	92.7	Very high	25 Å²	25	53.2 Å²	53.2	13%	0.128	27%	0.27	C	S	.	.	H	α-helix	trans	-51	-40.3	174.9	-72	167.1	0	0	0	111.3	A609 D610 Y616 K618 T644 M646	A609-I614 HydrophobicContact CB-CG1 3.95Å; D610-I614 WeakPolarHBondContact O-CG1 3.4Å; D610-I614 PolarHBondContact O-N 3.13Å; I614-Y616 VanDerWaalsContact C-N 3.27Å; I614-Y616 PolarHBondContact O-N 2.85Å; I614-K618 HydrophobicContact CG2-CD 4.22Å; I614-K618 HydrophobicContact CG2-CG 4.37Å; I614-K618 WeakPolarHBondContact O-CB 3.24Å; I614-K618 WeakPolarHBondContact O-CG 3.48Å; I614-K618 PolarHBondContact O-N 3.45Å; I614-T644 HydrophobicContact CD1-CG2 4.42Å; I614-M646 HydrophobicContact CB-SD 4.32Å; I614-M646 HydrophobicContact CG1-SD 3.93Å; I614-M646 HydrophobicContact CG2-SD 4.21Å
615	G	91.1	Very high	92.4	Very high	38 Å²	38	59.2 Å²	59.2	39%	0.392	30%	0.297	S	S	.	.	H	α-helix	trans	-69.1	-20.7	178.5	0	0	0	0	0	114.7	A613 K619	A613-G615 PolarHBondContact O-N 2.87Å; A613-G615 VanDerWaalsContact O-N 3.15Å; G615-K619 WeakPolarHBondContact O-CD 3.39Å; G615-K619 VanDerWaalsContact O-CE 3.3Å; G615-K619 WeakPolarHBondContact O-CE 3.25Å; G615-K619 WeakPolarHBondContact O-CG 3.37Å
616	Y	92.4	Very high	92.1	Very high	55 Å²	55	61.2 Å²	61.2	22%	0.216	31%	0.307	C	S	.	.	H	α-helix	trans	-85.1	-53.4	170.6	160.6	-99.8	0	0	0	110.6	G586 M590 A613 I614 K618 K619 Q620	G586-Y616 PolarHBondContact O-OH 3.4Å; M590-Y616 HydrophobicContact CE-CE1 4.24Å; A613-Y616 WeakPolarHBondContact O-CA 3.39Å; A613-Y616 WeakPolarHBondContact O-CB 3.35Å; A613-Y616 PolarHBondContact O-N 3.25Å; I614-Y616 VanDerWaalsContact C-N 3.27Å; I614-Y616 PolarHBondContact O-N 2.85Å; Y616-K618 VanDerWaalsContact C-N 3.31Å; Y616-K618 PolarHBondContact O-N 3.01Å; Y616-K619 WeakPolarHBondContact O-CA 3.38Å; Y616-K619 WeakPolarHBondContact O-CB 3.3Å; Y616-K619 PolarHBondContact O-N 3.27Å; Y616-Q620 HydrophobicContact CD2-CG 4.22Å; Y616-Q620 HydrophobicContact CE1-CG 4.15Å; Y616-Q620 HydrophobicContact CE2-CG 3.82Å; Y616-Q620 VanDerWaalsContact CE2-NE2 3.26Å; Y616-Q620 PolarHBondContact O-N 3.42Å; Y616-Q620 VanDerWaalsContact O-N 3.16Å
617	F	95.3	Very high	91.7	Very high	9 Å²	9	68.8 Å²	68.8	4%	0.039	34%	0.34	C	S	.	.	H	α-helix	trans	-58.8	-38.9	-177.8	-78.5	-69.4	0	0	0	112.5	C574 M590 T607 A609 A613 K619 Q620 G621 F622 M646	C574-F617 HydrophobicContact CB-CZ 4.17Å; M590-F617 HydrophobicContact CE-CD1 4.41Å; M590-F617 HydrophobicContact CE-CE1 3.96Å; T607-F617 HydrophobicContact CG2-CD1 3.93Å; T607-F617 HydrophobicContact CG2-CD2 4.41Å; T607-F617 HydrophobicContact CG2-CE1 3.88Å; T607-F617 HydrophobicContact CG2-CE2 4.35Å; T607-F617 HydrophobicContact CG2-CG 4.21Å; T607-F617 HydrophobicContact CG2-CZ 4.1Å; A609-F617 HydrophobicContact CB-CD2 3.61Å; A609-F617 HydrophobicContact CB-CE2 4.03Å; A609-F617 HydrophobicContact CB-CG 4.46Å; A613-F617 HydrophobicContact CB-CD2 3.83Å; A613-F617 HydrophobicContact CB-CE2 3.81Å; A613-F617 WeakPolarHBondContact O-CD2 3.36Å; A613-F617 PolarHBondContact O-N 3.45Å; F617-K619 VanDerWaalsContact C-N 3.3Å; F617-K619 PolarHBondContact O-N 2.87Å; F617-Q620 CarbonylContact O-C 3.54Å; F617-Q620 WeakPolarHBondContact O-CA 3.37Å; F617-Q620 PolarHBondContact O-N 2.95Å; F617-G621 PolarHBondContact O-N 3.06Å; F617-F622 HydrophobicContact CB-CB 3.99Å; F617-F622 HydrophobicContact CB-CD2 4.24Å; F617-F622 HydrophobicContact CB-CG 4.07Å; F617-F622 HydrophobicContact CD1-CD1 4.15Å; F617-F622 AromaticContact CD1-CD2 3.81Å; F617-F622 HydrophobicContact CD1-CD2 3.81Å; F617-F622 HydrophobicContact CD1-CE1 4.13Å; F617-F622 AromaticContact CD1-CE2 3.8Å; F617-F622 HydrophobicContact CD1-CE2 3.8Å; F617-F622 HydrophobicContact CD1-CG 4Å; F617-F622 AromaticContact CD1-CZ 3.96Å; F617-F622 HydrophobicContact CD1-CZ 3.96Å; F617-F622 HydrophobicContact CE1-CE1 4.46Å; F617-F622 HydrophobicContact CE1-CE2 4.39Å; F617-F622 HydrophobicContact CE1-CZ 4.21Å; F617-F622 HydrophobicContact CG-CG 4.48Å; F617-F622 WeakPolarHBondContact O-CB 3.25Å; F617-F622 WeakPolarHBondContact O-CD2 3.38Å; F617-F622 PolarHBondContact O-N 3.17Å; F617-M646 HydrophobicContact CB-CE 4.34Å; F617-M646 HydrophobicContact CB-SD 4.15Å
618	K	94.4	Very high	91.4	Very high	126 Å²	126	69.4 Å²	69.4	55%	0.548	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-55.3	-41.5	171.1	-78.4	-174.1	175.1	-173.5	0	113.3	I614 Y616 Q620 G621 M646	I614-K618 HydrophobicContact CG2-CD 4.22Å; I614-K618 HydrophobicContact CG2-CG 4.37Å; I614-K618 WeakPolarHBondContact O-CB 3.24Å; I614-K618 WeakPolarHBondContact O-CG 3.48Å; I614-K618 PolarHBondContact O-N 3.45Å; Y616-K618 VanDerWaalsContact C-N 3.31Å; Y616-K618 PolarHBondContact O-N 3.01Å; K618-Q620 VanDerWaalsContact C-N 3.26Å; K618-Q620 PolarHBondContact O-N 2.78Å; K618-G621 PolarHBondContact O-N 3.47Å; K618-M646 HydrophobicContact CG-CE 3.85Å
619	K	90.9	Very high	91.2	Very high	146 Å²	146	70.2 Å²	70.2	64%	0.635	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-70.7	-23.9	177.9	-65	171	-172.7	167.9	0	112.5	G615 Y616 F617 G621	G615-K619 WeakPolarHBondContact O-CD 3.39Å; G615-K619 VanDerWaalsContact O-CE 3.3Å; G615-K619 WeakPolarHBondContact O-CE 3.25Å; G615-K619 WeakPolarHBondContact O-CG 3.37Å; Y616-K619 WeakPolarHBondContact O-CA 3.38Å; Y616-K619 WeakPolarHBondContact O-CB 3.3Å; Y616-K619 PolarHBondContact O-N 3.27Å; F617-K619 VanDerWaalsContact C-N 3.3Å; F617-K619 PolarHBondContact O-N 2.87Å; K619-G621 VanDerWaalsContact C-N 3.3Å
620	Q	92.8	Very high	91.1	Very high	12 Å²	12	77.3 Å²	77.3	6%	0.056	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-83.5	-1.2	174.2	-56.7	-52.4	-26.6	0	0	113.7	T587 M590 K594 Y616 F617 K618 F622	T587-Q620 PolarHBondContact OG1-NE2 2.93Å; M590-Q620 HydrophobicContact CB-CG 4.31Å; M590-Q620 HydrophobicContact CG-CB 3.91Å; M590-Q620 HydrophobicContact CG-CG 3.84Å; K594-Q620 PolarHBondContact NZ-O 3.43Å; Y616-Q620 HydrophobicContact CD2-CG 4.22Å; Y616-Q620 HydrophobicContact CE1-CG 4.15Å; Y616-Q620 HydrophobicContact CE2-CG 3.82Å; Y616-Q620 VanDerWaalsContact CE2-NE2 3.26Å; Y616-Q620 PolarHBondContact O-N 3.42Å; Y616-Q620 VanDerWaalsContact O-N 3.16Å; F617-Q620 CarbonylContact O-C 3.54Å; F617-Q620 WeakPolarHBondContact O-CA 3.37Å; F617-Q620 PolarHBondContact O-N 2.95Å; K618-Q620 VanDerWaalsContact C-N 3.26Å; K618-Q620 PolarHBondContact O-N 2.78Å; Q620-F622 HydrophobicContact CB-CD2 4Å; Q620-F622 HydrophobicContact CB-CE2 4.12Å
621	G	92.7	Very high	91.1	Very high	51 Å²	51	81 Å²	81	53%	0.526	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	14.6	179.3	0	0	0	0	0	115.2	F617 K618 K619 C648	F617-G621 PolarHBondContact O-N 3.06Å; K618-G621 PolarHBondContact O-N 3.47Å; K619-G621 VanDerWaalsContact C-N 3.3Å; G621-C648 VanDerWaalsContact C-SG 3.58Å; G621-C648 PolarHBondContact O-SG 3.45Å
622	F	96.6	Very high	91.3	Very high	6 Å²	6	79.6 Å²	79.6	3%	0.026	40%	0.402	C	S	.	.			trans	-86.1	137.9	175.2	-68	-114	0	0	0	111.4	I571 M590 F605 T607 F617 Q620 M646 G647 C648	I571-F622 HydrophobicContact CD1-CE1 4.4Å; I571-F622 HydrophobicContact CD1-CZ 3.84Å; M590-F622 HydrophobicContact CE-CE2 4.19Å; M590-F622 HydrophobicContact CE-CZ 4.42Å; M590-F622 HydrophobicContact SD-CE2 4.14Å; M590-F622 HydrophobicContact SD-CZ 4.45Å; F605-F622 HydrophobicContact CB-CE1 3.74Å; F605-F622 HydrophobicContact CB-CZ 3.79Å; F605-F622 HydrophobicContact CD2-CE2 4.47Å; F605-F622 AromaticContact CD2-CZ 3.8Å; F605-F622 HydrophobicContact CD2-CZ 3.8Å; F605-F622 HydrophobicContact CG-CZ 4.28Å; T607-F622 HydrophobicContact CG2-CD1 3.69Å; T607-F622 HydrophobicContact CG2-CE1 3.65Å; F617-F622 HydrophobicContact CB-CB 3.99Å; F617-F622 HydrophobicContact CB-CD2 4.24Å; F617-F622 HydrophobicContact CB-CG 4.07Å; F617-F622 HydrophobicContact CD1-CD1 4.15Å; F617-F622 AromaticContact CD1-CD2 3.81Å; F617-F622 HydrophobicContact CD1-CD2 3.81Å; F617-F622 HydrophobicContact CD1-CE1 4.13Å; F617-F622 AromaticContact CD1-CE2 3.8Å; F617-F622 HydrophobicContact CD1-CE2 3.8Å; F617-F622 HydrophobicContact CD1-CG 4Å; F617-F622 AromaticContact CD1-CZ 3.96Å; F617-F622 HydrophobicContact CD1-CZ 3.96Å; F617-F622 HydrophobicContact CE1-CE1 4.46Å; F617-F622 HydrophobicContact CE1-CE2 4.39Å; F617-F622 HydrophobicContact CE1-CZ 4.21Å; F617-F622 HydrophobicContact CG-CG 4.48Å; F617-F622 WeakPolarHBondContact O-CB 3.25Å; F617-F622 WeakPolarHBondContact O-CD2 3.38Å; F617-F622 PolarHBondContact O-N 3.17Å; Q620-F622 HydrophobicContact CB-CD2 4Å; Q620-F622 HydrophobicContact CB-CE2 4.12Å; F622-M646 HydrophobicContact CB-CB 4.23Å; F622-M646 HydrophobicContact CB-CE 3.82Å; F622-M646 HydrophobicContact CD1-CB 4.33Å; F622-M646 VanDerWaalsContact O-CE 3.31Å; F622-M646 WeakPolarHBondContact O-CE 3.32Å; F622-G647 CarbonylContact C-O 3.52Å; F622-G647 VanDerWaalsContact CA-O 3.26Å; F622-G647 WeakPolarHBondContact CA-O 3.49Å; F622-C648 HydrophobicContact CB-CB 4.31Å; F622-C648 HydrophobicContact CD1-CB 3.63Å; F622-C648 HydrophobicContact CD2-CB 3.64Å; F622-C648 HydrophobicContact CE1-CB 3.73Å; F622-C648 HydrophobicContact CE2-CB 3.74Å; F622-C648 HydrophobicContact CG-CB 3.58Å; F622-C648 HydrophobicContact CZ-CB 3.78Å
623	S	95.5	Very high	91.6	Very high	48 Å²	48	72.2 Å²	72.2	34%	0.336	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-110.5	164.9	172	-168.9	0	0	0	0	111.7	E625 M646 G647	S623-E625 VanDerWaalsContact C-N 3.29Å; S623-E625 PolarHBondContact OG-N 3Å; S623-E625 VanDerWaalsContact OG-N 3.08Å; S623-M646 CarbonylContact O-C 3.54Å; S623-M646 VanDerWaalsContact O-CA 3.24Å; S623-M646 WeakPolarHBondContact O-CA 3.3Å; S623-M646 WeakPolarHBondContact O-CB 3.45Å; S623-G647 PolarHBondContact N-O 3.05Å; S623-G647 PolarHBondContact O-N 3.42Å
624	K	93.2	Very high	91.7	Very high	114 Å²	114	75.4 Å²	75.4	50%	0.496	39%	0.39	S	S	.	.	S	Bend	trans	-79.1	-17.7	161.6	-61.7	-158	-176.4	-144	0	111.7	I626 T644	K624-I626 PolarHBondContact O-N 3.36Å; K624-T644 HydrophobicContact CD-CG2 3.63Å; K624-T644 HydrophobicContact CG-CG2 3.86Å; K624-T644 VanDerWaalsContact NZ-CG2 3.34Å; K624-T644 PolarHBondContact NZ-OG1 2.97Å
625	E	90.7	Very high	91.5	Very high	166 Å²	166	77.9 Å²	77.9	78%	0.776	42%	0.421	S	S	*	.	S	Bend	trans	-83.4	107.3	175.2	-69.1	161	-152.3	0	0	109.5	S623	S623-E625 VanDerWaalsContact C-N 3.29Å; S623-E625 PolarHBondContact OG-N 3Å; S623-E625 VanDerWaalsContact OG-N 3.08Å
626	I	91.7	Very high	91.4	Very high	42 Å²	42	81.1 Å²	81.1	22%	0.215	42%	0.422	C	S	.	.			trans	-98.4	112.8	-176	-58.9	162.2	0	0	0	108.4	L606 K624 I628 Y633 L645	L606-I626 HydrophobicContact CD2-CD1 4.49Å; L606-I626 HydrophobicContact CD2-CG1 4.49Å; L606-I626 HydrophobicContact CD2-CG2 3.83Å; K624-I626 PolarHBondContact O-N 3.36Å; I626-I628 VanDerWaalsContact C-N 3.27Å; I626-I628 HydrophobicContact CG2-CB 3.97Å; I626-I628 HydrophobicContact CG2-CG1 4.14Å; I626-I628 PolarHBondContact O-N 3.48Å; I626-Y633 HydrophobicContact CG2-CE1 3.87Å; I626-L645 HydrophobicContact CD1-CB 4.33Å; I626-L645 HydrophobicContact CD1-CD2 3.51Å; I626-L645 HydrophobicContact CD1-CG 3.56Å
627	K	87.9	Confident	91.3	Very high	160 Å²	160	79.1 Å²	79.1	70%	0.696	42%	0.415	S	S	*	.			trans	-69.5	-22.9	177.8	-64.2	-177.1	177.3	-177.8	0	113.6	E649	K627-E649 WeakPolarHBondContact CD-OE2 3.43Å; K627-E649 WeakPolarHBondContact CE-OE2 3.24Å; K627-E649 IonicContact NZ-OE1 2.62Å; K627-E649 IonicContact NZ-OE2 3.22Å; K627-E649 PolarHBondContact NZ-OE2 3.1Å
628	I	89.3	Confident	90.8	Very high	20 Å²	20	83.3 Å²	83.3	10%	0.103	43%	0.433	C	S	.	.	S	Bend	trans	-69.9	131.1	-179.4	-43.4	176.6	0	0	0	109.3	F568 N604 L606 I626 K630 K632 Y633	F568-I628 HydrophobicContact CB-CD1 4.2Å; N604-I628 HydrophobicContact CB-CD1 3.68Å; N604-I628 HydrophobicContact CB-CG1 4.42Å; L606-I628 HydrophobicContact CD1-CD1 4.1Å; L606-I628 HydrophobicContact CD2-CD1 3.86Å; L606-I628 HydrophobicContact CG-CD1 3.92Å; I626-I628 VanDerWaalsContact C-N 3.27Å; I626-I628 HydrophobicContact CG2-CB 3.97Å; I626-I628 HydrophobicContact CG2-CG1 4.14Å; I626-I628 PolarHBondContact O-N 3.48Å; I628-K630 PolarHBondContact O-N 2.74Å; I628-K632 HydrophobicContact CG2-CB 3.87Å; I628-K632 HydrophobicContact CG2-CD 4.05Å; I628-K632 HydrophobicContact CG2-CG 4.43Å; I628-Y633 HydrophobicContact CB-CD1 4.2Å; I628-Y633 HydrophobicContact CB-CE1 4.32Å; I628-Y633 HydrophobicContact CG2-CD1 4.11Å; I628-Y633 WeakPolarHBondContact O-CE1 3.34Å
629	P	90.3	Very high	90.2	Very high	74 Å²	74	82.3 Å²	82.3	48%	0.481	43%	0.434	S	S	.	.			trans	-58.5	137.4	172.1	-25.4	34.9	0	0	0	112.2	T631 K632	P629-T631 PolarHBondContact O-N 3.19Å; P629-T631 VanDerWaalsContact O-N 3.11Å; P629-K632 PolarHBondContact O-N 3.38Å
630	K	89.9	Confident	89.8	Confident	151 Å²	151	76.9 Å²	76.9	66%	0.657	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-50.8	-38.2	-180	-75.1	-176.2	174.6	-175.4	0	113.3	I628 K632 Y633 V634	I628-K630 PolarHBondContact O-N 2.74Å; K630-K632 PolarHBondContact O-N 3.17Å; K630-K632 VanDerWaalsContact O-N 3.1Å; K630-Y633 HydrophobicContact CG-CE1 4.47Å; K630-Y633 PolarHBondContact O-N 3.2Å; K630-Y633 VanDerWaalsContact O-N 3.12Å; K630-V634 HydrophobicContact CB-CG2 4.03Å; K630-V634 WeakPolarHBondContact O-CB 3.46Å; K630-V634 WeakPolarHBondContact O-CG2 3.48Å; K630-V634 PolarHBondContact O-N 3.2Å
631	T	89.7	Confident	88.9	Confident	127 Å²	127	86 Å²	86	78%	0.779	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-59.2	-18.2	178.5	48.7	0	0	0	0	114.7	P629	P629-T631 PolarHBondContact O-N 3.19Å; P629-T631 VanDerWaalsContact O-N 3.11Å
632	K	89.9	Confident	88.2	Confident	105 Å²	105	86.5 Å²	86.5	46%	0.457	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-85.7	-21.1	176.4	-69.7	-165	168.8	-162.5	0	114.6	F568 I628 P629 K630	F568-K632 WeakPolarHBondContact CE1-O 3.4Å; I628-K632 HydrophobicContact CG2-CB 3.87Å; I628-K632 HydrophobicContact CG2-CD 4.05Å; I628-K632 HydrophobicContact CG2-CG 4.43Å; P629-K632 PolarHBondContact O-N 3.38Å; K630-K632 PolarHBondContact O-N 3.17Å; K630-K632 VanDerWaalsContact O-N 3.1Å
633	Y	91.1	Very high	87.7	Confident	17 Å²	17	87.6 Å²	87.6	7%	0.067	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-26.2	-171.5	66.3	-104.2	0	0	0	115.5	L606 I626 I628 K630 G635 Y636 I637 L645	L606-Y633 HydrophobicContact CD1-CD1 3.81Å; L606-Y633 HydrophobicContact CD1-CD2 4.11Å; L606-Y633 HydrophobicContact CD1-CG 3.54Å; I626-Y633 HydrophobicContact CG2-CE1 3.87Å; I628-Y633 HydrophobicContact CB-CD1 4.2Å; I628-Y633 HydrophobicContact CB-CE1 4.32Å; I628-Y633 HydrophobicContact CG2-CD1 4.11Å; I628-Y633 WeakPolarHBondContact O-CE1 3.34Å; K630-Y633 HydrophobicContact CG-CE1 4.47Å; K630-Y633 PolarHBondContact O-N 3.2Å; K630-Y633 VanDerWaalsContact O-N 3.12Å; Y633-G635 PolarHBondContact O-N 2.95Å; Y633-Y636 WeakPolarHBondContact O-CB 3.25Å; Y633-Y636 PolarHBondContact O-N 3.38Å; Y633-I637 HydrophobicContact CD2-CD1 3.71Å; Y633-I637 HydrophobicContact CD2-CG1 4.34Å; Y633-I637 HydrophobicContact CE2-CD1 4.33Å; Y633-I637 PolarHBondContact O-N 2.91Å; Y633-L645 HydrophobicContact CD2-CD2 4.36Å; Y633-L645 HydrophobicContact CE2-CD2 3.62Å
634	V	89.7	Confident	87.6	Confident	92 Å²	92	86.9 Å²	86.9	56%	0.558	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	128.8	175.9	172.6	0	0	0	0	109.2	K630 Y636	K630-V634 HydrophobicContact CB-CG2 4.03Å; K630-V634 WeakPolarHBondContact O-CB 3.46Å; K630-V634 WeakPolarHBondContact O-CG2 3.48Å; K630-V634 PolarHBondContact O-N 3.2Å; V634-Y636 VanDerWaalsContact C-N 3.29Å; V634-Y636 PolarHBondContact O-N 3.47Å
635	G	87	Confident	87.6	Confident	77 Å²	77	82.8 Å²	82.8	79%	0.794	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-8.3	-174.1	0	0	0	0	0	115.5	Y633	Y633-G635 PolarHBondContact O-N 2.95Å
636	Y	87.9	Confident	87.9	Confident	105 Å²	105	74.9 Å²	74.9	41%	0.412	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-44.9	175.1	-70.9	-90.7	0	0	0	112.5	F563 Q566 Y633 V634	F563-Y636 AromaticContact CD1-CD1 3.9Å; F563-Y636 HydrophobicContact CD1-CD1 3.9Å; F563-Y636 AromaticContact CE1-CD1 3.9Å; F563-Y636 HydrophobicContact CE1-CD1 3.9Å; F563-Y636 HydrophobicContact CE1-CG 4.42Å; F563-Y636 VanDerWaalsContact CZ-O 3.32Å; F563-Y636 WeakPolarHBondContact CZ-O 3.38Å; Q566-Y636 HydrophobicContact CG-CD1 4.35Å; Q566-Y636 HydrophobicContact CG-CE1 4.14Å; Q566-Y636 HydrophobicContact CG-CE2 4.41Å; Q566-Y636 PolarHBondContact NE2-OH 3.42Å; Y633-Y636 WeakPolarHBondContact O-CB 3.25Å; Y633-Y636 PolarHBondContact O-N 3.38Å; V634-Y636 VanDerWaalsContact C-N 3.29Å; V634-Y636 PolarHBondContact O-N 3.47Å
637	I	90.1	Very high	88.1	Confident	14 Å²	14	73.3 Å²	73.3	7%	0.072	40%	0.402	C	S	.	.	S	Bend	trans	-81.6	157.2	170.6	67.7	179.5	0	0	0	110.5	F568 E570 L606 Y608 Y633 L645	F568-I637 HydrophobicContact CE2-CG2 3.44Å; F568-I637 VanDerWaalsContact CE2-CG2 3.44Å; F568-I637 HydrophobicContact CZ-CG2 3.75Å; E570-I637 HydrophobicContact CB-CG2 4.13Å; E570-I637 HydrophobicContact CG-CB 4.38Å; E570-I637 HydrophobicContact CG-CG2 4.08Å; E570-I637 WeakPolarHBondContact OE1-CA 3.38Å; E570-I637 WeakPolarHBondContact OE1-CB 3.48Å; L606-I637 HydrophobicContact CD1-CD1 4.41Å; L606-I637 HydrophobicContact CD1-CG2 4.34Å; Y608-I637 HydrophobicContact CE2-CD1 3.89Å; Y608-I637 HydrophobicContact CE2-CG1 4.38Å; Y633-I637 HydrophobicContact CD2-CD1 3.71Å; Y633-I637 HydrophobicContact CD2-CG1 4.34Å; Y633-I637 HydrophobicContact CE2-CD1 4.33Å; Y633-I637 PolarHBondContact O-N 2.91Å; I637-L645 HydrophobicContact CD1-CD1 3.6Å; I637-L645 HydrophobicContact CD1-CD2 4.01Å; I637-L645 HydrophobicContact CD1-CG 4.49Å
638	K	85.3	Confident	88.5	Confident	96 Å²	96	66.2 Å²	66.2	42%	0.417	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-94	131.4	173.6	-164.8	-155.4	166.7	-156.9	0	111.3	Y533 E570 Y608 Y640	Y533-K638 HydrophobicContact CE2-CD 4.33Å; Y533-K638 WeakPolarHBondContact OH-CD 3.36Å; Y533-K638 PolarHBondContact OH-NZ 3.17Å; E570-K638 PolarHBondContact OE1-N 3.23Å; Y608-K638 WeakPolarHBondContact CD2-O 3.32Å; Y608-K638 VanDerWaalsContact CE2-O 3.31Å; Y608-K638 WeakPolarHBondContact CE2-O 3.48Å; K638-Y640 HydrophobicContact CB-CE2 4.11Å; K638-Y640 HydrophobicContact CD-CE1 4.18Å; K638-Y640 HydrophobicContact CD-CE2 4.33Å; K638-Y640 WeakPolarHBondContact O-CD2 3Å; K638-Y640 WeakPolarHBondContact O-CE2 3.45Å
639	D	82.6	Confident	88.8	Confident	106 Å²	106	70.5 Å²	70.5	57%	0.567	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-73.4	145.2	170.3	-60.7	-42.8	0	0	0	112.2	Y608	Y608-D639 WeakPolarHBondContact CE2-OD1 3.21Å; Y608-D639 VanDerWaalsContact CZ-OD1 3.26Å; Y608-D639 PolarHBondContact OH-OD1 3.05Å
640	Y	82.6	Confident	88.9	Confident	31 Å²	31	67.3 Å²	67.3	12%	0.122	37%	0.371	C	S	.	.			trans	-132.9	124.4	177.8	-63.5	-96.6	0	0	0	110.5	M529 Y533 Y608 K638 A643	M529-Y640 HydrophobicContact CE-CD1 3.64Å; M529-Y640 HydrophobicContact CE-CE1 3.71Å; M529-Y640 HydrophobicContact CE-CG 4.46Å; M529-Y640 HydrophobicContact SD-CD1 4.09Å; M529-Y640 HydrophobicContact SD-CE1 3.88Å; Y533-Y640 AromaticContact CE1-CE1 3.96Å; Y533-Y640 HydrophobicContact CE1-CE1 3.96Å; Y533-Y640 PolarHBondContact OH-OH 3.05Å; Y608-Y640 AromaticContact CD2-CD2 3.87Å; Y608-Y640 HydrophobicContact CD2-CD2 3.87Å; Y608-Y640 HydrophobicContact CD2-CE2 4.48Å; Y608-Y640 AromaticContact CG-CD2 3.84Å; Y608-Y640 HydrophobicContact CG-CD2 3.84Å; K638-Y640 HydrophobicContact CB-CE2 4.11Å; K638-Y640 HydrophobicContact CD-CE1 4.18Å; K638-Y640 HydrophobicContact CD-CE2 4.33Å; K638-Y640 WeakPolarHBondContact O-CD2 3Å; K638-Y640 WeakPolarHBondContact O-CE2 3.45Å; Y640-A643 PolarHBondContact O-N 2.92Å
641	E	74.2	Confident	89.1	Confident	204 Å²	204	63.5 Å²	63.5	95%	0.953	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	137.6	177.3	-64.2	-176.9	174	0	0	111.6	A643	E641-A643 PolarHBondContact O-N 2.73Å
642	G	76.3	Confident	89.2	Confident	62 Å²	62	61 Å²	61	64%	0.639	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	7.9	-178.8	0	0	0	0	0	115.5
643	A	87.4	Confident	89.2	Confident	28 Å²	28	66.9 Å²	66.9	23%	0.231	36%	0.363	C	S	.	.			trans	-106.2	150.2	173.4	0	0	0	0	0	112	Y608 A609 Y640 E641	Y608-A643 HydrophobicContact CD1-CB 3.82Å; Y608-A643 HydrophobicContact CG-CB 4.35Å; A609-A643 WeakPolarHBondContact O-CA 3.45Å; Y640-A643 PolarHBondContact O-N 2.92Å; E641-A643 PolarHBondContact O-N 2.73Å
644	T	92.2	Very high	89.1	Confident	34 Å²	34	68.4 Å²	68.4	21%	0.209	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.4	171.7	-70.5	0	0	0	0	109.7	A609 I614 K624 M646	A609-T644 PolarHBondContact N-O 3.37Å; A609-T644 PolarHBondContact O-N 2.95Å; I614-T644 HydrophobicContact CD1-CG2 4.42Å; K624-T644 HydrophobicContact CD-CG2 3.63Å; K624-T644 HydrophobicContact CG-CG2 3.86Å; K624-T644 VanDerWaalsContact NZ-CG2 3.34Å; K624-T644 PolarHBondContact NZ-OG1 2.97Å; T644-M646 HydrophobicContact CG2-CG 3.8Å; T644-M646 PolarHBondContact O-N 2.95Å
645	L	94.4	Very high	89	Confident	28 Å²	28	66.3 Å²	66.3	15%	0.147	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	129.2	166.1	-173.3	61	0	0	0	110.4	T607 Y608 I626 Y633 I637	T607-L645 WeakPolarHBondContact O-CA 3.26Å; Y608-L645 HydrophobicContact CD1-CB 4.14Å; Y608-L645 HydrophobicContact CD2-CD1 3.9Å; Y608-L645 HydrophobicContact CE1-CB 3.66Å; Y608-L645 HydrophobicContact CE1-CD1 4.48Å; Y608-L645 HydrophobicContact CE2-CB 4.38Å; Y608-L645 HydrophobicContact CE2-CD1 3.74Å; Y608-L645 HydrophobicContact CE2-CG 4.45Å; Y608-L645 HydrophobicContact CG-CD1 4.36Å; I626-L645 HydrophobicContact CD1-CB 4.33Å; I626-L645 HydrophobicContact CD1-CD2 3.51Å; I626-L645 HydrophobicContact CD1-CG 3.56Å; Y633-L645 HydrophobicContact CD2-CD2 4.36Å; Y633-L645 HydrophobicContact CE2-CD2 3.62Å; I637-L645 HydrophobicContact CD1-CD1 3.6Å; I637-L645 HydrophobicContact CD1-CD2 4.01Å; I637-L645 HydrophobicContact CD1-CG 4.49Å
646	M	95.6	Very high	89.2	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.9	178.7	-64.4	-169.9	68.3	0	0	110.9	L606 T607 A609 I614 F617 K618 F622 S623 T644	L606-M646 WeakPolarHBondContact CA-O 3.47Å; T607-M646 HydrophobicContact CG2-CB 4.07Å; T607-M646 PolarHBondContact N-O 3.13Å; T607-M646 PolarHBondContact O-N 3.43Å; A609-M646 HydrophobicContact CB-CG 4.36Å; A609-M646 HydrophobicContact CB-SD 3.91Å; I614-M646 HydrophobicContact CB-SD 4.32Å; I614-M646 HydrophobicContact CG1-SD 3.93Å; I614-M646 HydrophobicContact CG2-SD 4.21Å; F617-M646 HydrophobicContact CB-CE 4.34Å; F617-M646 HydrophobicContact CB-SD 4.15Å; K618-M646 HydrophobicContact CG-CE 3.85Å; F622-M646 HydrophobicContact CB-CB 4.23Å; F622-M646 HydrophobicContact CB-CE 3.82Å; F622-M646 HydrophobicContact CD1-CB 4.33Å; F622-M646 VanDerWaalsContact O-CE 3.31Å; F622-M646 WeakPolarHBondContact O-CE 3.32Å; S623-M646 CarbonylContact O-C 3.54Å; S623-M646 VanDerWaalsContact O-CA 3.24Å; S623-M646 WeakPolarHBondContact O-CA 3.3Å; S623-M646 WeakPolarHBondContact O-CB 3.45Å; T644-M646 HydrophobicContact CG2-CG 3.8Å; T644-M646 PolarHBondContact O-N 2.95Å
647	G	96	Very high	89.3	Confident	9 Å²	9	60.5 Å²	60.5	9%	0.093	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.6	179.5	0	0	0	0	0	113.2	F605 F622 S623	F605-G647 CarbonylContact O-C 3.52Å; F605-G647 VanDerWaalsContact O-CA 3.26Å; F605-G647 WeakPolarHBondContact O-CA 3.4Å; F622-G647 CarbonylContact C-O 3.52Å; F622-G647 VanDerWaalsContact CA-O 3.26Å; F622-G647 WeakPolarHBondContact CA-O 3.49Å; S623-G647 PolarHBondContact N-O 3.05Å; S623-G647 PolarHBondContact O-N 3.42Å
648	C	96.6	Very high	89.2	Confident	11 Å²	11	64.9 Å²	64.9	7%	0.074	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137	172.7	-171.2	0	0	0	0	110.1	N604 F605 G621 F622	N604-C648 WeakPolarHBondContact CA-O 3.39Å; F605-C648 HydrophobicContact CB-CB 4.28Å; F605-C648 PolarHBondContact N-O 2.89Å; F605-C648 PolarHBondContact O-N 3.14Å; G621-C648 VanDerWaalsContact C-SG 3.58Å; G621-C648 PolarHBondContact O-SG 3.45Å; F622-C648 HydrophobicContact CB-CB 4.31Å; F622-C648 HydrophobicContact CD1-CB 3.63Å; F622-C648 HydrophobicContact CD2-CB 3.64Å; F622-C648 HydrophobicContact CE1-CB 3.73Å; F622-C648 HydrophobicContact CE2-CB 3.74Å; F622-C648 HydrophobicContact CG-CB 3.58Å; F622-C648 HydrophobicContact CZ-CB 3.78Å
649	E	95.3	Very high	89.2	Confident	110 Å²	110	64.3 Å²	64.3	51%	0.514	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.8	175.7	-179.5	-175.3	-143.7	0	0	108.1	L603 K627	L603-E649 WeakPolarHBondContact O-CA 3.28Å; K627-E649 WeakPolarHBondContact CD-OE2 3.43Å; K627-E649 WeakPolarHBondContact CE-OE2 3.24Å; K627-E649 IonicContact NZ-OE1 2.62Å; K627-E649 IonicContact NZ-OE2 3.22Å; K627-E649 PolarHBondContact NZ-OE2 3.1Å
650	L	94.1	Very high	89.2	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.031	32%	0.315	C	S	.	.			trans	-96.9	138.8	-176.1	-52.4	-173.4	0	0	0	110.5	K594 H597 I598 L603 F605	K594-L650 HydrophobicContact CB-CD1 4.19Å; K594-L650 HydrophobicContact CB-CD2 4.34Å; K594-L650 HydrophobicContact CD-CD2 4.06Å; K594-L650 HydrophobicContact CG-CD1 4.25Å; K594-L650 HydrophobicContact CG-CD2 3.7Å; H597-L650 HydrophobicContact CB-CD1 4.32Å; I598-L650 HydrophobicContact CD1-CB 4.43Å; I598-L650 HydrophobicContact CG1-CB 4.28Å; I598-L650 HydrophobicContact CG1-CD1 4.16Å; L603-L650 HydrophobicContact CB-CB 4.45Å; L603-L650 HydrophobicContact CD2-CB 4.33Å; L603-L650 PolarHBondContact O-N 3.27Å; F605-L650 HydrophobicContact CD2-CD2 4.24Å; F605-L650 HydrophobicContact CE1-CD1 4.11Å; F605-L650 HydrophobicContact CE2-CD1 4.04Å; F605-L650 HydrophobicContact CE2-CD2 4.18Å; F605-L650 HydrophobicContact CZ-CD1 3.79Å
651	N	92.4	Very high	89.3	Confident	71 Å²	71	60.6 Å²	60.6	38%	0.38	32%	0.321	S	S	.	.			trans	-99.3	112.3	174.5	-175.1	-20.8	0	0	0	109.4	R653 I654 Y656	N651-R653 PolarHBondContact O-N 3.48Å; N651-R653 WeakPolarHBondContact OD1-CB 3.41Å; N651-R653 PolarHBondContact OD1-N 3.26Å; N651-I654 HydrophobicContact CB-CD1 3.89Å; N651-I654 HydrophobicContact CB-CG1 4.05Å; N651-I654 PolarHBondContact O-N 2.96Å; N651-I654 VanDerWaalsContact O-N 3.1Å; N651-Y656 PolarHBondContact N-OH 3.1Å; N651-Y656 VanDerWaalsContact N-OH 3.11Å
652	P	91.8	Very high	89.8	Confident	75 Å²	75	53.3 Å²	53.3	49%	0.487	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.8	-176.6	28.2	-35.5	0	0	0	114	I598 L603 I654	I598-P652 HydrophobicContact CG2-CB 3.98Å; L603-P652 HydrophobicContact CD1-CG 4.14Å; L603-P652 HydrophobicContact CD2-CB 4.17Å; L603-P652 HydrophobicContact CD2-CG 4.39Å; P652-I654 VanDerWaalsContact C-N 3.34Å
653	R	90.3	Very high	90.2	Very high	229 Å²	229	54 Å²	54	86%	0.864	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	1.3	174.6	-56.6	-178.5	-179.7	167.7	0.6	113.6	N651	N651-R653 PolarHBondContact O-N 3.48Å; N651-R653 WeakPolarHBondContact OD1-CB 3.41Å; N651-R653 PolarHBondContact OD1-N 3.26Å
654	I	88.5	Confident	89.8	Confident	48 Å²	48	57.9 Å²	57.9	25%	0.246	29%	0.287	C	S	.	.	S	Bend	trans	-114.7	112.2	-178.2	-58.1	-177.6	0	0	0	109	N651 P652 Y656 F659	N651-I654 HydrophobicContact CB-CD1 3.89Å; N651-I654 HydrophobicContact CB-CG1 4.05Å; N651-I654 PolarHBondContact O-N 2.96Å; N651-I654 VanDerWaalsContact O-N 3.1Å; P652-I654 VanDerWaalsContact C-N 3.34Å; I654-Y656 HydrophobicContact CB-CD2 4.44Å; I654-Y656 HydrophobicContact CB-CE2 4.02Å; I654-Y656 HydrophobicContact CG2-CD1 4.28Å; I654-Y656 HydrophobicContact CG2-CD2 4.34Å; I654-Y656 HydrophobicContact CG2-CE1 4.19Å; I654-Y656 HydrophobicContact CG2-CE2 4.23Å; I654-Y656 HydrophobicContact CG2-CG 4.37Å; I654-Y656 WeakPolarHBondContact O-CD2 3.36Å; I654-Y656 WeakPolarHBondContact O-CE2 3.11Å; I654-Y656 PolarHBondContact O-N 3.31Å; I654-F659 HydrophobicContact CG2-CD2 3.65Å; I654-F659 HydrophobicContact CG2-CE2 4.19Å
655	P	89.3	Confident	89.3	Confident	49 Å²	49	61.2 Å²	61.2	32%	0.318	30%	0.299	S	S	.	.			trans	-73.9	108	168.2	30.3	-31.9	0	0	0	108.2	E595 T657 E658 F659 I662	E595-P655 WeakPolarHBondContact OE2-CA 3.43Å; P655-T657 VanDerWaalsContact C-N 3.3Å; P655-T657 PolarHBondContact O-N 3.34Å; P655-E658 PolarHBondContact O-N 3.48Å; P655-F659 PolarHBondContact O-N 2.98Å; P655-I662 HydrophobicContact CG-CD1 3.5Å
656	Y	90.9	Very high	88.9	Confident	27 Å²	27	64.6 Å²	64.6	11%	0.106	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-73.6	-26.2	-168.5	-77.8	-88.2	0	0	0	112	N591 K594 E595 I598 N651 I654 E658 F659	N591-Y656 WeakPolarHBondContact CB-O 3.34Å; N591-Y656 VanDerWaalsContact CG-O 3.3Å; N591-Y656 PolarHBondContact ND2-O 3.46Å; K594-Y656 HydrophobicContact CB-CD2 3.85Å; K594-Y656 HydrophobicContact CB-CE2 4.42Å; K594-Y656 HydrophobicContact CB-CG 3.95Å; K594-Y656 HydrophobicContact CD-CD1 3.48Å; K594-Y656 VanDerWaalsContact CD-CD1 3.48Å; K594-Y656 HydrophobicContact CD-CD2 4.14Å; K594-Y656 HydrophobicContact CD-CE1 3.79Å; K594-Y656 HydrophobicContact CD-CE2 4.41Å; K594-Y656 HydrophobicContact CD-CG 3.66Å; K594-Y656 HydrophobicContact CG-CG 4.47Å; E595-Y656 PolarHBondContact OE2-N 3.25Å; I598-Y656 HydrophobicContact CD1-CD2 3.65Å; I598-Y656 HydrophobicContact CD1-CE2 3.58Å; N651-Y656 PolarHBondContact N-OH 3.1Å; N651-Y656 VanDerWaalsContact N-OH 3.11Å; I654-Y656 HydrophobicContact CB-CD2 4.44Å; I654-Y656 HydrophobicContact CB-CE2 4.02Å; I654-Y656 HydrophobicContact CG2-CD1 4.28Å; I654-Y656 HydrophobicContact CG2-CD2 4.34Å; I654-Y656 HydrophobicContact CG2-CE1 4.19Å; I654-Y656 HydrophobicContact CG2-CE2 4.23Å; I654-Y656 HydrophobicContact CG2-CG 4.37Å; I654-Y656 WeakPolarHBondContact O-CD2 3.36Å; I654-Y656 WeakPolarHBondContact O-CE2 3.11Å; I654-Y656 PolarHBondContact O-N 3.31Å; Y656-E658 VanDerWaalsContact C-N 3.27Å; Y656-E658 PolarHBondContact O-N 3.16Å; Y656-F659 WeakPolarHBondContact O-CB 3.49Å; Y656-F659 PolarHBondContact O-N 2.79Å
657	T	89.8	Confident	88.3	Confident	32 Å²	32	70.3 Å²	70.3	20%	0.196	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-67.2	-22.8	175.3	53.5	0	0	0	0	113.7	R486 E595 P655	R486-T657 VanDerWaalsContact CZ-O 3.24Å; R486-T657 PolarHBondContact NE-O 2.64Å; R486-T657 PolarHBondContact NH2-O 3.06Å; E595-T657 HydrophobicContact CB-CG2 4.21Å; E595-T657 HydrophobicContact CG-CG2 4.16Å; P655-T657 VanDerWaalsContact C-N 3.3Å; P655-T657 PolarHBondContact O-N 3.34Å
658	E	86.9	Confident	87.5	Confident	106 Å²	106	72.5 Å²	72.5	50%	0.495	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-107.2	0.1	176.9	-71.9	-165.3	-155.5	0	0	114.2	P655 Y656 S660 V661 I662	P655-E658 PolarHBondContact O-N 3.48Å; Y656-E658 VanDerWaalsContact C-N 3.27Å; Y656-E658 PolarHBondContact O-N 3.16Å; E658-S660 VanDerWaalsContact C-N 3.32Å; E658-S660 PolarHBondContact O-N 3.44Å; E658-S660 VanDerWaalsContact O-N 3.1Å; E658-V661 WeakPolarHBondContact O-CA 3.37Å; E658-V661 WeakPolarHBondContact O-CB 3.44Å; E658-V661 PolarHBondContact O-N 3.03Å; E658-I662 HydrophobicContact CB-CD1 4.12Å; E658-I662 HydrophobicContact CB-CG1 4.38Å; E658-I662 PolarHBondContact O-N 3.17Å; E658-I662 VanDerWaalsContact O-N 3.08Å
659	F	86.3	Confident	86.8	Confident	84 Å²	84	73.1 Å²	73.1	37%	0.368	35%	0.349	S	S	.	.	H	α-helix	trans	-47.7	-47.1	-170.2	-176	-106.9	0	0	0	114.2	I654 P655 Y656 V661 I662 I663	I654-F659 HydrophobicContact CG2-CD2 3.65Å; I654-F659 HydrophobicContact CG2-CE2 4.19Å; P655-F659 PolarHBondContact O-N 2.98Å; Y656-F659 WeakPolarHBondContact O-CB 3.49Å; Y656-F659 PolarHBondContact O-N 2.79Å; F659-V661 VanDerWaalsContact C-N 3.31Å; F659-V661 PolarHBondContact O-N 2.82Å; F659-I662 PolarHBondContact O-N 2.78Å; F659-I663 HydrophobicContact CD1-CG1 4.26Å; F659-I663 HydrophobicContact CD2-CG1 4.21Å; F659-I663 HydrophobicContact CE1-CG1 3.94Å; F659-I663 HydrophobicContact CE2-CD1 3.97Å; F659-I663 HydrophobicContact CE2-CG1 3.89Å; F659-I663 HydrophobicContact CG-CG1 4.39Å; F659-I663 HydrophobicContact CZ-CD1 3.91Å; F659-I663 HydrophobicContact CZ-CG1 3.75Å; F659-I663 WeakPolarHBondContact O-CB 3.48Å; F659-I663 VanDerWaalsContact O-CG1 3.28Å; F659-I663 WeakPolarHBondContact O-CG1 3.39Å; F659-I663 PolarHBondContact O-N 2.84Å
660	S	83.1	Confident	86.3	Confident	20 Å²	20	72.4 Å²	72.4	14%	0.14	35%	0.348	C	S	.	.	H	α-helix	trans	-59.3	-37.4	177.7	-67.5	0	0	0	0	113.6	D482 E658 K664	D482-S660 VanDerWaalsContact OD2-CB 3.25Å; D482-S660 WeakPolarHBondContact OD2-CB 3.44Å; D482-S660 PolarHBondContact OD2-OG 3.25Å; E658-S660 VanDerWaalsContact C-N 3.32Å; E658-S660 PolarHBondContact O-N 3.44Å; E658-S660 VanDerWaalsContact O-N 3.1Å; S660-K664 WeakPolarHBondContact O-CB 3.44Å; S660-K664 PolarHBondContact O-N 3.09Å; S660-K664 VanDerWaalsContact O-N 3.09Å
661	V	83.4	Confident	85.8	Confident	40 Å²	40	75.9 Å²	75.9	24%	0.242	36%	0.363	C	S	.	.	H	α-helix	trans	-74.2	-41.3	179.8	-177.4	0	0	0	0	110.4	E658 F659 K664 K665	E658-V661 WeakPolarHBondContact O-CA 3.37Å; E658-V661 WeakPolarHBondContact O-CB 3.44Å; E658-V661 PolarHBondContact O-N 3.03Å; F659-V661 VanDerWaalsContact C-N 3.31Å; F659-V661 PolarHBondContact O-N 2.82Å; V661-K664 WeakPolarHBondContact O-CB 3.46Å; V661-K664 PolarHBondContact O-N 3.24Å; V661-K665 PolarHBondContact O-N 2.64Å
662	I	85.5	Confident	85.2	Confident	51 Å²	51	76.2 Å²	76.2	26%	0.262	36%	0.361	S	S	.	.	H	α-helix	trans	-64.3	-46.8	177.3	-66.5	173.1	0	0	0	110.7	P655 E658 F659 K664 K665 Q666	P655-I662 HydrophobicContact CG-CD1 3.5Å; E658-I662 HydrophobicContact CB-CD1 4.12Å; E658-I662 HydrophobicContact CB-CG1 4.38Å; E658-I662 PolarHBondContact O-N 3.17Å; E658-I662 VanDerWaalsContact O-N 3.08Å; F659-I662 PolarHBondContact O-N 2.78Å; I662-K664 VanDerWaalsContact C-N 3.3Å; I662-K664 PolarHBondContact O-N 3.32Å; I662-K665 PolarHBondContact O-N 2.74Å; I662-Q666 HydrophobicContact CG2-CG 4.41Å; I662-Q666 WeakPolarHBondContact O-CB 3.48Å; I662-Q666 WeakPolarHBondContact O-CG 3.4Å; I662-Q666 PolarHBondContact O-N 3.46Å
663	I	84.8	Confident	84.8	Confident	75 Å²	75	73.9 Å²	73.9	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-36.6	176.3	-65.3	-67.9	0	0	0	111.2	F659 K667	F659-I663 HydrophobicContact CD1-CG1 4.26Å; F659-I663 HydrophobicContact CD2-CG1 4.21Å; F659-I663 HydrophobicContact CE1-CG1 3.94Å; F659-I663 HydrophobicContact CE2-CD1 3.97Å; F659-I663 HydrophobicContact CE2-CG1 3.89Å; F659-I663 HydrophobicContact CG-CG1 4.39Å; F659-I663 HydrophobicContact CZ-CD1 3.91Å; F659-I663 HydrophobicContact CZ-CG1 3.75Å; F659-I663 WeakPolarHBondContact O-CB 3.48Å; F659-I663 VanDerWaalsContact O-CG1 3.28Å; F659-I663 WeakPolarHBondContact O-CG1 3.39Å; F659-I663 PolarHBondContact O-N 2.84Å; I663-K667 WeakPolarHBondContact O-CB 3.38Å; I663-K667 PolarHBondContact O-N 2.88Å
664	K	79.6	Confident	84.4	Confident	110 Å²	110	67 Å²	67	48%	0.478	32%	0.324	S	S	.	.	H	α-helix	trans	-61	-53.2	172.1	-174.4	-169	170	-165.8	0	111.1	S660 V661 I662 Q666 K667 E668	S660-K664 WeakPolarHBondContact O-CB 3.44Å; S660-K664 PolarHBondContact O-N 3.09Å; S660-K664 VanDerWaalsContact O-N 3.09Å; V661-K664 WeakPolarHBondContact O-CB 3.46Å; V661-K664 PolarHBondContact O-N 3.24Å; I662-K664 VanDerWaalsContact C-N 3.3Å; I662-K664 PolarHBondContact O-N 3.32Å; K664-Q666 PolarHBondContact O-N 2.97Å; K664-K667 WeakPolarHBondContact O-CB 3.26Å; K664-K667 PolarHBondContact O-N 3.44Å; K664-E668 WeakPolarHBondContact O-CB 3.44Å; K664-E668 PolarHBondContact O-N 3.31Å
665	K	81.1	Confident	84.1	Confident	105 Å²	105	67.8 Å²	67.8	46%	0.457	33%	0.326	S	S	.	.	H	α-helix	trans	-57.9	-45	178.8	-72.5	-179.1	178.2	179.8	0	111.8	V661 I662 K667 E668 I669	V661-K665 PolarHBondContact O-N 2.64Å; I662-K665 PolarHBondContact O-N 2.74Å; K665-K667 PolarHBondContact O-N 2.69Å; K665-E668 WeakPolarHBondContact O-CB 3.35Å; K665-E668 PolarHBondContact O-N 3.02Å; K665-E668 VanDerWaalsContact O-N 3.16Å; K665-I669 WeakPolarHBondContact O-CD1 3.42Å; K665-I669 VanDerWaalsContact O-CG1 3.28Å; K665-I669 WeakPolarHBondContact O-CG1 3.46Å; K665-I669 PolarHBondContact O-N 3.08Å
666	Q	84.9	Confident	83.6	Confident	98 Å²	98	70 Å²	70	46%	0.458	33%	0.328	S	S	.	.	H	α-helix	trans	-59.1	-45.6	175.9	-73.5	176.8	-5.6	0	0	112.5	I662 K664 E668 I670	I662-Q666 HydrophobicContact CG2-CG 4.41Å; I662-Q666 WeakPolarHBondContact O-CB 3.48Å; I662-Q666 WeakPolarHBondContact O-CG 3.4Å; I662-Q666 PolarHBondContact O-N 3.46Å; K664-Q666 PolarHBondContact O-N 2.97Å; Q666-E668 VanDerWaalsContact C-N 3.28Å; Q666-E668 PolarHBondContact O-N 2.91Å; Q666-I670 WeakPolarHBondContact O-CB 3.39Å; Q666-I670 WeakPolarHBondContact O-CD1 3.38Å; Q666-I670 VanDerWaalsContact O-CG1 3.26Å; Q666-I670 WeakPolarHBondContact O-CG1 3.32Å; Q666-I670 PolarHBondContact O-N 3.11Å
667	K	82.9	Confident	83	Confident	121 Å²	121	75.2 Å²	75.2	53%	0.526	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-36.8	175.5	-175.2	-172.9	176.2	-168.6	0	111.9	F474 I663 K664 K665 K671	F474-K667 PolarHBondContact O-NZ 2.74Å; I663-K667 WeakPolarHBondContact O-CB 3.38Å; I663-K667 PolarHBondContact O-N 2.88Å; K664-K667 WeakPolarHBondContact O-CB 3.26Å; K664-K667 PolarHBondContact O-N 3.44Å; K665-K667 PolarHBondContact O-N 2.69Å; K667-K671 WeakPolarHBondContact O-CB 2.9Å; K667-K671 PolarHBondContact O-N 2.77Å
668	E	80.1	Confident	82.3	Confident	54 Å²	54	79 Å²	79	25%	0.252	37%	0.367	S	S	.	.	H	α-helix	trans	-72.7	-43.9	-179.6	-166.8	159.1	-165.9	0	0	112.4	I461 K664 K665 Q666 I670 K671 K672	I461-E668 HydrophobicContact CD1-CB 4.48Å; I461-E668 HydrophobicContact CD1-CG 4.07Å; I461-E668 HydrophobicContact CG1-CG 4.3Å; I461-E668 HydrophobicContact CG2-CG 4.33Å; K664-E668 WeakPolarHBondContact O-CB 3.44Å; K664-E668 PolarHBondContact O-N 3.31Å; K665-E668 WeakPolarHBondContact O-CB 3.35Å; K665-E668 PolarHBondContact O-N 3.02Å; K665-E668 VanDerWaalsContact O-N 3.16Å; Q666-E668 VanDerWaalsContact C-N 3.28Å; Q666-E668 PolarHBondContact O-N 2.91Å; E668-I670 VanDerWaalsContact C-N 3.33Å; E668-I670 PolarHBondContact O-N 3.45Å; E668-K671 WeakPolarHBondContact O-CB 3.47Å; E668-K671 PolarHBondContact O-N 3.47Å; E668-K672 PolarHBondContact O-N 2.71Å
669	I	82.4	Confident	81.7	Confident	24 Å²	24	77.5 Å²	77.5	12%	0.123	37%	0.372	C	S	.	.	H	α-helix	trans	-55.6	-48.5	168.9	-64.5	155.3	0	0	0	110.2	V457 M458 I461 K665 K671 K672 L673	V457-I669 HydrophobicContact CG1-CB 4.31Å; V457-I669 HydrophobicContact CG1-CG1 4.44Å; V457-I669 HydrophobicContact CG1-CG2 4Å; M458-I669 HydrophobicContact CG-CD1 4.29Å; M458-I669 HydrophobicContact CG-CG1 4.37Å; M458-I669 HydrophobicContact SD-CD1 3.62Å; M458-I669 HydrophobicContact SD-CG1 3.83Å; I461-I669 HydrophobicContact CD1-CG1 3.91Å; K665-I669 WeakPolarHBondContact O-CD1 3.42Å; K665-I669 VanDerWaalsContact O-CG1 3.28Å; K665-I669 WeakPolarHBondContact O-CG1 3.46Å; K665-I669 PolarHBondContact O-N 3.08Å; I669-K671 VanDerWaalsContact C-N 3.35Å; I669-K671 PolarHBondContact O-N 3.24Å; I669-K672 PolarHBondContact O-N 3.1Å; I669-L673 HydrophobicContact CG2-CD1 3.77Å; I669-L673 HydrophobicContact CG2-CG 4.35Å; I669-L673 WeakPolarHBondContact O-CB 3.23Å; I669-L673 VanDerWaalsContact O-CG 3.3Å; I669-L673 WeakPolarHBondContact O-CG 3.4Å; I669-L673 PolarHBondContact O-N 2.8Å
670	I	85.1	Confident	80.8	Confident	95 Å²	95	80.6 Å²	80.6	49%	0.487	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-40.3	178.3	-69.3	166.2	0	0	0	111.1	Q666 E668 L673 I674	Q666-I670 WeakPolarHBondContact O-CB 3.39Å; Q666-I670 WeakPolarHBondContact O-CD1 3.38Å; Q666-I670 VanDerWaalsContact O-CG1 3.26Å; Q666-I670 WeakPolarHBondContact O-CG1 3.32Å; Q666-I670 PolarHBondContact O-N 3.11Å; E668-I670 VanDerWaalsContact C-N 3.33Å; E668-I670 PolarHBondContact O-N 3.45Å; I670-L673 PolarHBondContact O-N 2.9Å; I670-I674 HydrophobicContact CG2-CD1 3.77Å; I670-I674 HydrophobicContact CG2-CG1 4.46Å; I670-I674 WeakPolarHBondContact O-CB 3.22Å; I670-I674 VanDerWaalsContact O-CG1 3.24Å; I670-I674 WeakPolarHBondContact O-CG1 3.19Å; I670-I674 PolarHBondContact O-N 2.89Å
671	K	82	Confident	80	Confident	79 Å²	79	84.4 Å²	84.4	34%	0.343	41%	0.406	S	S	.	.	H	α-helix	trans	-59.9	-47.9	174.1	-164.9	-163.8	-179.2	-167	0	110.7	E471 K667 E668 I669 I674 E675	E471-K671 IonicContact OE1-NZ 2.73Å; E471-K671 PolarHBondContact OE1-NZ 3.33Å; E471-K671 IonicContact OE2-NZ 2.74Å; E471-K671 PolarHBondContact OE2-NZ 3.17Å; K667-K671 WeakPolarHBondContact O-CB 2.9Å; K667-K671 PolarHBondContact O-N 2.77Å; E668-K671 WeakPolarHBondContact O-CB 3.47Å; E668-K671 PolarHBondContact O-N 3.47Å; I669-K671 VanDerWaalsContact C-N 3.35Å; I669-K671 PolarHBondContact O-N 3.24Å; K671-I674 CarbonylContact O-C 3.33Å; K671-I674 PolarHBondContact O-N 3.48Å; K671-E675 WeakPolarHBondContact CD-OE1 3.26Å; K671-E675 WeakPolarHBondContact CE-OE1 3.26Å; K671-E675 WeakPolarHBondContact CG-OE1 3.43Å; K671-E675 IonicContact NZ-OE1 2.62Å; K671-E675 WeakPolarHBondContact O-CG 3.44Å; K671-E675 PolarHBondContact O-N 3.21Å
672	K	81.1	Confident	79.1	Confident	79 Å²	79	92.4 Å²	92.4	34%	0.343	43%	0.431	S	S	.	.	H	α-helix	trans	-64.1	-39.6	178.4	-76.4	-74.4	165.2	-149.3	0	113.5	V457 I461 E668 I669 E675 R676	V457-K672 HydrophobicContact CG1-CB 3.54Å; V457-K672 HydrophobicContact CG1-CG 4.28Å; V457-K672 HydrophobicContact CG2-CB 4.5Å; I461-K672 HydrophobicContact CD1-CG 4.14Å; I461-K672 HydrophobicContact CG1-CG 4.13Å; E668-K672 PolarHBondContact O-N 2.71Å; I669-K672 PolarHBondContact O-N 3.1Å; K672-E675 WeakPolarHBondContact CD-OE2 3.43Å; K672-E675 WeakPolarHBondContact CE-OE2 3.44Å; K672-E675 IonicContact NZ-OE2 2.67Å; K672-E675 PolarHBondContact NZ-OE2 3.08Å; K672-E675 PolarHBondContact O-N 2.95Å; K672-R676 WeakPolarHBondContact O-CB 3.47Å; K672-R676 PolarHBondContact O-N 2.68Å
673	L	83.5	Confident	78.3	Confident	25 Å²	25	95.4 Å²	95.4	13%	0.131	44%	0.443	C	S	.	.	H	α-helix	trans	-65.5	-39	173.5	-70.7	168.1	0	0	0	111.8	I449 L453 V457 I669 I670 K677	I449-L673 HydrophobicContact CD1-CD1 3.94Å; I449-L673 HydrophobicContact CG2-CD1 4.26Å; I449-L673 HydrophobicContact CG2-CD2 4.18Å; L453-L673 HydrophobicContact CD2-CD2 3.84Å; L453-L673 HydrophobicContact CG-CD2 3.86Å; V457-L673 HydrophobicContact CG2-CD2 3.92Å; V457-L673 HydrophobicContact CG2-CG 4.31Å; I669-L673 HydrophobicContact CG2-CD1 3.77Å; I669-L673 HydrophobicContact CG2-CG 4.35Å; I669-L673 WeakPolarHBondContact O-CB 3.23Å; I669-L673 VanDerWaalsContact O-CG 3.3Å; I669-L673 WeakPolarHBondContact O-CG 3.4Å; I669-L673 PolarHBondContact O-N 2.8Å; I670-L673 PolarHBondContact O-N 2.9Å; L673-K677 VanDerWaalsContact O-CB 3.23Å; L673-K677 WeakPolarHBondContact O-CB 3.48Å; L673-K677 PolarHBondContact O-N 3.22Å
674	I	81.4	Confident	77.7	Confident	86 Å²	86	98.2 Å²	98.2	44%	0.441	46%	0.463	S	S	.	.	H	α-helix	trans	-66	-42.7	172.2	-70	167.2	0	0	0	110.7	I670 K671 K677 Q678	I670-I674 HydrophobicContact CG2-CD1 3.77Å; I670-I674 HydrophobicContact CG2-CG1 4.46Å; I670-I674 WeakPolarHBondContact O-CB 3.22Å; I670-I674 VanDerWaalsContact O-CG1 3.24Å; I670-I674 WeakPolarHBondContact O-CG1 3.19Å; I670-I674 PolarHBondContact O-N 2.89Å; K671-I674 CarbonylContact O-C 3.33Å; K671-I674 PolarHBondContact O-N 3.48Å; I674-K677 PolarHBondContact O-N 3.33Å; I674-Q678 HydrophobicContact CG2-CG 4.15Å; I674-Q678 WeakPolarHBondContact O-CB 3.04Å; I674-Q678 WeakPolarHBondContact O-CG 3.41Å; I674-Q678 PolarHBondContact O-N 3.28Å
675	E	81.7	Confident	77.4	Confident	64 Å²	64	96.6 Å²	96.6	30%	0.299	46%	0.455	S	S	.	.	H	α-helix	trans	-60.5	-48.1	176.3	-75.5	168	-166.6	0	0	111.5	K671 K672 Q678 A679	K671-E675 WeakPolarHBondContact CD-OE1 3.26Å; K671-E675 WeakPolarHBondContact CE-OE1 3.26Å; K671-E675 WeakPolarHBondContact CG-OE1 3.43Å; K671-E675 IonicContact NZ-OE1 2.62Å; K671-E675 WeakPolarHBondContact O-CG 3.44Å; K671-E675 PolarHBondContact O-N 3.21Å; K672-E675 WeakPolarHBondContact CD-OE2 3.43Å; K672-E675 WeakPolarHBondContact CE-OE2 3.44Å; K672-E675 IonicContact NZ-OE2 2.67Å; K672-E675 PolarHBondContact NZ-OE2 3.08Å; K672-E675 PolarHBondContact O-N 2.95Å; E675-Q678 PolarHBondContact O-N 3.24Å; E675-A679 WeakPolarHBondContact O-CB 3.47Å; E675-A679 PolarHBondContact O-N 3.31Å
676	R	78.7	Confident	77.1	Confident	96 Å²	96	97.2 Å²	97.2	36%	0.362	47%	0.469	S	S	.	.	H	α-helix	trans	-63	-44.8	177.5	-169.4	179.9	-175.7	120.8	-13	111.8	E456 K672 A679 Q680	E456-R676 VanDerWaalsContact CD-NH1 3.26Å; E456-R676 IonicContact OE1-CZ 3.94Å; E456-R676 IonicContact OE1-NH1 2.7Å; E456-R676 PolarHBondContact OE1-NH1 2.64Å; E456-R676 IonicContact OE1-NH2 3.15Å; E456-R676 PolarHBondContact OE1-NH2 3.39Å; E456-R676 IonicContact OE2-CZ 2.82Å; E456-R676 IonicContact OE2-NH1 3.55Å; E456-R676 PolarHBondContact OE2-NH1 2.84Å; E456-R676 IonicContact OE2-NH2 2.78Å; E456-R676 PolarHBondContact OE2-NH2 2.73Å; K672-R676 WeakPolarHBondContact O-CB 3.47Å; K672-R676 PolarHBondContact O-N 2.68Å; R676-A679 PolarHBondContact O-N 3.48Å; R676-Q680 WeakPolarHBondContact O-CG 3.49Å; R676-Q680 PolarHBondContact O-N 3.31Å; R676-Q680 VanDerWaalsContact O-N 3.13Å
677	K	79.1	Confident	76.7	Confident	135 Å²	135	96.1 Å²	96.1	59%	0.587	48%	0.484	S	S	*	.	H	α-helix	trans	-68.7	-35.1	176.4	-172.1	166.9	-175.2	170.5	0	112.2	L673 I674 I681	L673-K677 VanDerWaalsContact O-CB 3.23Å; L673-K677 WeakPolarHBondContact O-CB 3.48Å; L673-K677 PolarHBondContact O-N 3.22Å; I674-K677 PolarHBondContact O-N 3.33Å; K677-I681 HydrophobicContact CG-CD1 3.81Å; K677-I681 WeakPolarHBondContact O-CB 3.27Å; K677-I681 WeakPolarHBondContact O-CD1 3.35Å; K677-I681 VanDerWaalsContact O-CG1 3.23Å; K677-I681 WeakPolarHBondContact O-CG1 3.31Å; K677-I681 PolarHBondContact O-N 3.04Å; K677-I681 VanDerWaalsContact O-N 3.09Å
678	Q	75.6	Confident	76.5	Confident	113 Å²	113	93.5 Å²	93.5	53%	0.528	48%	0.476	S	S	.	.	H	α-helix	trans	-65.4	-44	171.7	-80.7	-178.7	10.6	0	0	110.8	I674 E675 Q680 I681 R682	I674-Q678 HydrophobicContact CG2-CG 4.15Å; I674-Q678 WeakPolarHBondContact O-CB 3.04Å; I674-Q678 WeakPolarHBondContact O-CG 3.41Å; I674-Q678 PolarHBondContact O-N 3.28Å; E675-Q678 PolarHBondContact O-N 3.24Å; Q678-Q680 VanDerWaalsContact C-N 3.32Å; Q678-Q680 PolarHBondContact O-N 3.46Å; Q678-I681 CarbonylContact O-C 3.59Å; Q678-I681 WeakPolarHBondContact O-CA 3.47Å; Q678-I681 PolarHBondContact O-N 2.83Å; Q678-R682 VanDerWaalsContact O-CB 3.29Å; Q678-R682 WeakPolarHBondContact O-CB 3.48Å; Q678-R682 PolarHBondContact O-N 3.14Å
679	A	72.8	Confident	76.2	Confident	73 Å²	73	94.9 Å²	94.9	60%	0.603	49%	0.491	S	S	*	.	H	α-helix	trans	-57.8	-43.3	176.9	0	0	0	0	0	112.1	E675 R676 I681 R682	E675-A679 WeakPolarHBondContact O-CB 3.47Å; E675-A679 PolarHBondContact O-N 3.31Å; R676-A679 PolarHBondContact O-N 3.48Å; A679-I681 VanDerWaalsContact C-N 3.3Å; A679-I681 PolarHBondContact O-N 3Å; A679-R682 PolarHBondContact O-N 3.27Å
680	Q	68.4	Low	75.3	Confident	149 Å²	149	95.3 Å²	95.3	70%	0.696	50%	0.496	S	S	*	.	H	α-helix	trans	-62.9	-32.4	172.8	-69.5	171.5	-18.6	0	0	113.4	R676 Q678	R676-Q680 WeakPolarHBondContact O-CG 3.49Å; R676-Q680 PolarHBondContact O-N 3.31Å; R676-Q680 VanDerWaalsContact O-N 3.13Å; Q678-Q680 VanDerWaalsContact C-N 3.32Å; Q678-Q680 PolarHBondContact O-N 3.46Å
681	I	66.6	Low	74.6	Confident	101 Å²	101	95.5 Å²	95.5	52%	0.518	49%	0.493	S	S	.	.	H	α-helix	trans	-92.6	-11.4	-177.6	-67.2	171.6	0	0	0	112.5	K677 Q678 A679 K683	K677-I681 HydrophobicContact CG-CD1 3.81Å; K677-I681 WeakPolarHBondContact O-CB 3.27Å; K677-I681 WeakPolarHBondContact O-CD1 3.35Å; K677-I681 VanDerWaalsContact O-CG1 3.23Å; K677-I681 WeakPolarHBondContact O-CG1 3.31Å; K677-I681 PolarHBondContact O-N 3.04Å; K677-I681 VanDerWaalsContact O-N 3.09Å; Q678-I681 CarbonylContact O-C 3.59Å; Q678-I681 WeakPolarHBondContact O-CA 3.47Å; Q678-I681 PolarHBondContact O-N 2.83Å; A679-I681 VanDerWaalsContact C-N 3.3Å; A679-I681 PolarHBondContact O-N 3Å; I681-K683 PolarHBondContact O-N 3.13Å
682	R	64.8	Low	74	Confident	207 Å²	207	100.7 Å²	100.7	78%	0.781	52%	0.516	S	S	*	.			trans	-76.5	31.2	-172.6	-137.8	177	-173.8	-173.4	1	114.6	Q678 A679 V684	Q678-R682 VanDerWaalsContact O-CB 3.29Å; Q678-R682 WeakPolarHBondContact O-CB 3.48Å; Q678-R682 PolarHBondContact O-N 3.14Å; A679-R682 PolarHBondContact O-N 3.27Å; R682-V684 PolarHBondContact O-N 3.22Å; R682-V684 VanDerWaalsContact O-N 3.07Å
683	K	67.2	Low	73	Confident	114 Å²	114	102.9 Å²	102.9	50%	0.496	53%	0.531	S	S	.	.			trans	-57.4	109.8	169.3	-179.1	169	167.1	-171.4	0	108.8	I681 Y685 E708	I681-K683 PolarHBondContact O-N 3.13Å; K683-Y685 HydrophobicContact CB-CE2 4.14Å; K683-Y685 HydrophobicContact CD-CE1 3.8Å; K683-Y685 VanDerWaalsContact CE-CE1 3.48Å; K683-Y685 HydrophobicContact CG-CD1 4.47Å; K683-Y685 HydrophobicContact CG-CE1 3.99Å; K683-Y685 HydrophobicContact CG-CE2 4.16Å; K683-Y685 WeakPolarHBondContact O-CD2 3.36Å; K683-Y685 WeakPolarHBondContact O-CE2 3.5Å; K683-Y685 PolarHBondContact O-N 3.33Å; K683-E708 IonicContact NZ-OE1 3.91Å; K683-E708 PolarHBondContact NZ-OE1 3.45Å; K683-E708 IonicContact NZ-OE2 2.74Å; K683-E708 PolarHBondContact NZ-OE2 3.14Å
684	V	71.9	Confident	71.7	Confident	135 Å²	135	104.5 Å²	104.5	82%	0.818	56%	0.555	S	S	*	*			trans	-77.5	107.1	175.2	179.8	0	0	0	0	107.7	R682	R682-V684 PolarHBondContact O-N 3.22Å; R682-V684 VanDerWaalsContact O-N 3.07Å
685	Y	73.9	Confident	70.7	Confident	76 Å²	76	103.4 Å²	103.4	30%	0.298	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-76.2	142.2	176	-60.4	-87.7	0	0	0	110.2	K683 P704 G705 E708	K683-Y685 HydrophobicContact CB-CE2 4.14Å; K683-Y685 HydrophobicContact CD-CE1 3.8Å; K683-Y685 VanDerWaalsContact CE-CE1 3.48Å; K683-Y685 HydrophobicContact CG-CD1 4.47Å; K683-Y685 HydrophobicContact CG-CE1 3.99Å; K683-Y685 HydrophobicContact CG-CE2 4.16Å; K683-Y685 WeakPolarHBondContact O-CD2 3.36Å; K683-Y685 WeakPolarHBondContact O-CE2 3.5Å; K683-Y685 PolarHBondContact O-N 3.33Å; Y685-P704 HydrophobicContact CD1-CB 3.77Å; Y685-P704 HydrophobicContact CE1-CB 4.09Å; Y685-G705 VanDerWaalsContact CE2-CA 3.4Å; Y685-E708 PolarHBondContact OH-OE2 2.89Å
686	P	75.6	Confident	69.9	Low	117 Å²	117	111.4 Å²	111.4	76%	0.76	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-62.5	154.3	172.8	27.7	-34.8	0	0	0	111.1	L688	P686-L688 PolarHBondContact O-N 3.01Å
687	G	76.5	Confident	69.4	Low	75 Å²	75	115.1 Å²	115.1	77%	0.773	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-58.3	137	176.9	0	0	0	0	0	112	S689	G687-S689 PolarHBondContact O-N 3.14Å; G687-S689 VanDerWaalsContact O-N 3.11Å
688	L	78.6	Confident	69.2	Low	67 Å²	67	110.6 Å²	110.6	35%	0.351	58%	0.582	S	S	.	*			trans	-64	109.7	-176.5	-68.8	160.8	0	0	0	110.6	P686 F691 I698 I703	P686-L688 PolarHBondContact O-N 3.01Å; L688-F691 HydrophobicContact CB-CD2 3.81Å; L688-F691 HydrophobicContact CB-CE2 3.73Å; L688-F691 HydrophobicContact CD1-CE2 3.83Å; L688-F691 HydrophobicContact CG-CE2 4.43Å; L688-I698 HydrophobicContact CD1-CD1 3.92Å; L688-I698 HydrophobicContact CD2-CD1 4.16Å; L688-I703 HydrophobicContact CD1-CG1 4.33Å
689	S	72.4	Confident	69	Low	82 Å²	82	109 Å²	109	57%	0.573	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-66.1	-38.9	-174.5	49.3	0	0	0	0	113.7	G687 F691 K692	G687-S689 PolarHBondContact O-N 3.14Å; G687-S689 VanDerWaalsContact O-N 3.11Å; S689-F691 PolarHBondContact O-N 2.96Å; S689-K692 VanDerWaalsContact O-CB 3.28Å; S689-K692 WeakPolarHBondContact O-CB 3.34Å; S689-K692 WeakPolarHBondContact O-CG 3.32Å; S689-K692 PolarHBondContact O-N 2.74Å
690	C	65	Low	69	Low	33 Å²	33	109.8 Å²	109.8	22%	0.223	58%	0.575	C	S	.	*	G	3₁₀ helix	trans	-50.2	-24.9	-175	54.8	0	0	0	0	116.4	K692 D693 V695	C690-K692 VanDerWaalsContact C-N 3.26Å; C690-K692 PolarHBondContact O-N 2.78Å; C690-D693 WeakPolarHBondContact CA-OD2 3.42Å; C690-D693 PolarHBondContact O-N 3.29Å; C690-V695 WeakPolarHBondContact O-CB 3.23Å
691	F	70.4	Confident	69.4	Low	99 Å²	99	106.5 Å²	106.5	43%	0.434	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-70.2	-20	174.6	-63.6	-70.2	0	0	0	113.5	L688 S689 D693 V695 I698	L688-F691 HydrophobicContact CB-CD2 3.81Å; L688-F691 HydrophobicContact CB-CE2 3.73Å; L688-F691 HydrophobicContact CD1-CE2 3.83Å; L688-F691 HydrophobicContact CG-CE2 4.43Å; S689-F691 PolarHBondContact O-N 2.96Å; F691-D693 VanDerWaalsContact C-N 3.33Å; F691-V695 VanDerWaalsContact CD1-O 3.26Å; F691-V695 WeakPolarHBondContact CD1-O 3.48Å; F691-I698 HydrophobicContact CE2-CD1 4.33Å; F691-I698 HydrophobicContact CZ-CD1 4.18Å; F691-I698 HydrophobicContact CZ-CG1 4.11Å
692	K	68.6	Low	69.8	Low	188 Å²	188	103.6 Å²	103.6	82%	0.817	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-31.5	171.9	-63.6	-177.3	175	-174.7	0	111.6	S689 C690 G694	S689-K692 VanDerWaalsContact O-CB 3.28Å; S689-K692 WeakPolarHBondContact O-CB 3.34Å; S689-K692 WeakPolarHBondContact O-CG 3.32Å; S689-K692 PolarHBondContact O-N 2.74Å; C690-K692 VanDerWaalsContact C-N 3.26Å; C690-K692 PolarHBondContact O-N 2.78Å; K692-G694 PolarHBondContact O-N 2.97Å; K692-G694 VanDerWaalsContact O-N 3.11Å
693	D	60.3	Low	70.5	Confident	125 Å²	125	96.2 Å²	96.2	67%	0.668	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	20.9	-177.6	-45.2	-52.7	0	0	0	112.3	C690 F691 V695	C690-D693 WeakPolarHBondContact CA-OD2 3.42Å; C690-D693 PolarHBondContact O-N 3.29Å; F691-D693 VanDerWaalsContact C-N 3.33Å; D693-V695 VanDerWaalsContact C-N 3.27Å; D693-V695 PolarHBondContact O-N 3.17Å
694	G	55.4	Low	70.8	Confident	60 Å²	60	92.7 Å²	92.7	62%	0.619	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-4.8	178.2	0	0	0	0	0	115.8	K692 R696	K692-G694 PolarHBondContact O-N 2.97Å; K692-G694 VanDerWaalsContact O-N 3.11Å; G694-R696 PolarHBondContact O-N 3Å
695	V	60.9	Low	70.9	Confident	63 Å²	63	87 Å²	87	38%	0.382	48%	0.482	S	S	.	.			trans	-65.2	124.8	176.7	-174.4	0	0	0	0	109.9	C690 F691 D693 Q697 I698	C690-V695 WeakPolarHBondContact O-CB 3.23Å; F691-V695 VanDerWaalsContact CD1-O 3.26Å; F691-V695 WeakPolarHBondContact CD1-O 3.48Å; D693-V695 VanDerWaalsContact C-N 3.27Å; D693-V695 PolarHBondContact O-N 3.17Å; V695-Q697 VanDerWaalsContact CG1-O 3.22Å; V695-Q697 WeakPolarHBondContact CG1-O 3.38Å; V695-I698 HydrophobicContact CG1-CG2 4.04Å
696	R	66.2	Low	71.1	Confident	232 Å²	232	85.7 Å²	85.7	88%	0.875	48%	0.48	S	S	*	.			trans	-92.7	-19.2	-178.1	-68.9	-171.2	175.8	-165.9	-1.4	115	G694	G694-R696 PolarHBondContact O-N 3Å
697	Q	67.1	Low	71	Confident	173 Å²	173	87.4 Å²	87.4	81%	0.808	47%	0.471	S	S	*	.			trans	-149.6	144.1	-177.4	-64.5	-177.2	-1.3	0	0	109.9	V695	V695-Q697 VanDerWaalsContact CG1-O 3.22Å; V695-Q697 WeakPolarHBondContact CG1-O 3.38Å
698	I	74.4	Confident	70.8	Confident	40 Å²	40	88.9 Å²	88.9	21%	0.205	46%	0.457	C	S	.	.			trans	-129.3	153.2	171.6	65.8	176.8	0	0	0	110.3	L688 F691 V695 I703	L688-I698 HydrophobicContact CD1-CD1 3.92Å; L688-I698 HydrophobicContact CD2-CD1 4.16Å; F691-I698 HydrophobicContact CE2-CD1 4.33Å; F691-I698 HydrophobicContact CZ-CD1 4.18Å; F691-I698 HydrophobicContact CZ-CG1 4.11Å; V695-I698 HydrophobicContact CG1-CG2 4.04Å; I698-I703 HydrophobicContact CD1-CG1 3.95Å; I698-I703 HydrophobicContact CG1-CG1 4.46Å
699	P	72.5	Confident	70.5	Confident	81 Å²	81	90.2 Å²	90.2	53%	0.526	47%	0.468	S	S	.	.			trans	-58.6	141.4	172.2	-22.6	33.7	0	0	0	111.3	E701 S702	P699-E701 WeakPolarHBondContact CB-OE2 3.45Å; P699-E701 PolarHBondContact O-N 3.09Å; P699-S702 WeakPolarHBondContact O-CB 3.5Å; P699-S702 PolarHBondContact O-N 3.41Å; P699-S702 PolarHBondContact O-OG 3.39Å
700	I	73.4	Confident	70.2	Confident	88 Å²	88	89 Å²	89	45%	0.451	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-63.2	-32.9	-178.9	-62.1	178.3	0	0	0	110.2	S702 I703 I706 W711	I700-S702 PolarHBondContact O-N 3.13Å; I700-I703 WeakPolarHBondContact O-CB 3.29Å; I700-I703 PolarHBondContact O-N 3.34Å; I700-I706 HydrophobicContact CG2-CD1 3.49Å; I700-I706 VanDerWaalsContact CG2-CD1 3.49Å; I700-I706 HydrophobicContact CG2-CG2 4.28Å; I700-W711 HydrophobicContact CB-CZ3 4.23Å; I700-W711 HydrophobicContact CG2-CE3 4.4Å; I700-W711 HydrophobicContact CG2-CH2 4Å; I700-W711 HydrophobicContact CG2-CZ3 3.77Å
701	E	75.9	Confident	70.3	Confident	80 Å²	80	92.6 Å²	92.6	37%	0.374	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-66.6	-17.6	175.6	-54	77.5	-171.3	0	0	113.4	P699 W711	P699-E701 WeakPolarHBondContact CB-OE2 3.45Å; P699-E701 PolarHBondContact O-N 3.09Å; E701-W711 HydrophobicContact CG-CZ3 4.24Å
702	S	74.1	Confident	69.9	Low	41 Å²	41	96.3 Å²	96.3	29%	0.287	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-85.5	-19	177.9	74.6	0	0	0	0	113.3	P699 I700 P704 R707	P699-S702 WeakPolarHBondContact O-CB 3.5Å; P699-S702 PolarHBondContact O-N 3.41Å; P699-S702 PolarHBondContact O-OG 3.39Å; I700-S702 PolarHBondContact O-N 3.13Å; S702-P704 WeakPolarHBondContact O-CD 3.29Å; S702-R707 PolarHBondContact O-NH1 2.77Å
703	I	79.9	Confident	69.5	Low	51 Å²	51	90.9 Å²	90.9	26%	0.262	48%	0.477	S	S	.	.	S	Bend	trans	-66.4	120.9	179.7	-62.8	172.2	0	0	0	108.7	L688 I698 I700 G705 I706 R707	L688-I703 HydrophobicContact CD1-CG1 4.33Å; I698-I703 HydrophobicContact CD1-CG1 3.95Å; I698-I703 HydrophobicContact CG1-CG1 4.46Å; I700-I703 WeakPolarHBondContact O-CB 3.29Å; I700-I703 PolarHBondContact O-N 3.34Å; I703-G705 PolarHBondContact O-N 3.02Å; I703-I706 HydrophobicContact CB-CB 4.3Å; I703-I706 HydrophobicContact CB-CD1 4.19Å; I703-I706 HydrophobicContact CB-CG1 4.21Å; I703-I706 HydrophobicContact CD1-CD1 4.03Å; I703-I706 HydrophobicContact CG2-CD1 4.3Å; I703-I706 HydrophobicContact CG2-CG1 4.11Å; I703-I706 PolarHBondContact O-N 2.88Å; I703-R707 PolarHBondContact O-N 3.29Å
704	P	75	Confident	68.9	Low	40 Å²	40	89.6 Å²	89.6	26%	0.26	48%	0.478	S	S	.	.	H	α-helix	trans	-52.2	-48.5	-171.1	-31.1	36.6	0	0	0	114.1	Y685 S702 I706 R707 E708	Y685-P704 HydrophobicContact CD1-CB 3.77Å; Y685-P704 HydrophobicContact CE1-CB 4.09Å; S702-P704 WeakPolarHBondContact O-CD 3.29Å; P704-I706 VanDerWaalsContact C-N 3.28Å; P704-I706 PolarHBondContact O-N 3.04Å; P704-R707 PolarHBondContact O-N 3.25Å; P704-E708 WeakPolarHBondContact O-CB 3.48Å; P704-E708 WeakPolarHBondContact O-CG 3.31Å; P704-E708 PolarHBondContact O-N 3.07Å
705	G	73.6	Confident	68.7	Low	17 Å²	17	90.2 Å²	90.2	18%	0.175	49%	0.485	C	S	.	.	H	α-helix	trans	-68.6	-18.9	179.7	0	0	0	0	0	115.7	Y685 I703 T709	Y685-G705 VanDerWaalsContact CE2-CA 3.4Å; I703-G705 PolarHBondContact O-N 3.02Å; G705-T709 WeakPolarHBondContact O-CG2 3.31Å
706	I	77.8	Confident	67.8	Low	48 Å²	48	96.6 Å²	96.6	25%	0.246	51%	0.508	C	S	.	.	H	α-helix	trans	-84.4	-46.1	172.6	-61.8	-176.6	0	0	0	109.2	I700 I703 P704 E708 T709 W711	I700-I706 HydrophobicContact CG2-CD1 3.49Å; I700-I706 VanDerWaalsContact CG2-CD1 3.49Å; I700-I706 HydrophobicContact CG2-CG2 4.28Å; I703-I706 HydrophobicContact CB-CB 4.3Å; I703-I706 HydrophobicContact CB-CD1 4.19Å; I703-I706 HydrophobicContact CB-CG1 4.21Å; I703-I706 HydrophobicContact CD1-CD1 4.03Å; I703-I706 HydrophobicContact CG2-CD1 4.3Å; I703-I706 HydrophobicContact CG2-CG1 4.11Å; I703-I706 PolarHBondContact O-N 2.88Å; P704-I706 VanDerWaalsContact C-N 3.28Å; P704-I706 PolarHBondContact O-N 3.04Å; I706-E708 VanDerWaalsContact C-N 3.31Å; I706-E708 PolarHBondContact O-N 3.35Å; I706-T709 PolarHBondContact O-N 3.43Å; I706-T709 VanDerWaalsContact O-N 3.09Å; I706-T709 PolarHBondContact O-OG1 3.36Å; I706-W711 HydrophobicContact CG2-CB 3.72Å; I706-W711 HydrophobicContact CG2-CD2 3.82Å; I706-W711 HydrophobicContact CG2-CE3 3.56Å; I706-W711 HydrophobicContact CG2-CG 3.92Å; I706-W711 HydrophobicContact CG2-CZ3 4.41Å
707	R	73.8	Confident	66.5	Low	153 Å²	153	92.1 Å²	92.1	58%	0.577	50%	0.497	S	S	*	.	H	α-helix	trans	-55.5	-44	175.5	-168.7	170.1	65.4	-141.1	2	112.4	S702 I703 P704 T709 G710	S702-R707 PolarHBondContact O-NH1 2.77Å; I703-R707 PolarHBondContact O-N 3.29Å; P704-R707 PolarHBondContact O-N 3.25Å; R707-T709 VanDerWaalsContact C-N 3.31Å; R707-T709 PolarHBondContact O-N 3.5Å; R707-G710 PolarHBondContact O-N 3.03Å
708	E	72.7	Confident	65.4	Low	105 Å²	105	94.6 Å²	94.6	49%	0.491	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.5	178.5	-74	-176.1	-148.8	0	0	113.8	K683 Y685 P704 I706 G710	K683-E708 IonicContact NZ-OE1 3.91Å; K683-E708 PolarHBondContact NZ-OE1 3.45Å; K683-E708 IonicContact NZ-OE2 2.74Å; K683-E708 PolarHBondContact NZ-OE2 3.14Å; Y685-E708 PolarHBondContact OH-OE2 2.89Å; P704-E708 WeakPolarHBondContact O-CB 3.48Å; P704-E708 WeakPolarHBondContact O-CG 3.31Å; P704-E708 PolarHBondContact O-N 3.07Å; I706-E708 VanDerWaalsContact C-N 3.31Å; I706-E708 PolarHBondContact O-N 3.35Å; E708-G710 PolarHBondContact O-N 2.91Å
709	T	71	Confident	63.7	Low	95 Å²	95	96.3 Å²	96.3	58%	0.583	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	0.9	173.7	60.2	0	0	0	0	114	G705 I706 R707 W711	G705-T709 WeakPolarHBondContact O-CG2 3.31Å; I706-T709 PolarHBondContact O-N 3.43Å; I706-T709 VanDerWaalsContact O-N 3.09Å; I706-T709 PolarHBondContact O-OG1 3.36Å; R707-T709 VanDerWaalsContact C-N 3.31Å; R707-T709 PolarHBondContact O-N 3.5Å; T709-W711 PolarHBondContact O-N 3.09Å
710	G	66.1	Low	62	Low	56 Å²	56	101.4 Å²	101.4	58%	0.577	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	14.6	-174.2	0	0	0	0	0	113.5	R707 E708 K712	R707-G710 PolarHBondContact O-N 3.03Å; E708-G710 PolarHBondContact O-N 2.91Å; G710-K712 PolarHBondContact O-N 3.49Å; G710-K712 VanDerWaalsContact O-N 3.11Å
711	W	68.1	Low	60.2	Low	110 Å²	110	105.6 Å²	105.6	42%	0.417	55%	0.552	S	S	.	*			trans	-63.8	113.4	-179.5	-175.2	92	0	0	0	110	I700 E701 I706 T709 P713	I700-W711 HydrophobicContact CB-CZ3 4.23Å; I700-W711 HydrophobicContact CG2-CE3 4.4Å; I700-W711 HydrophobicContact CG2-CH2 4Å; I700-W711 HydrophobicContact CG2-CZ3 3.77Å; E701-W711 HydrophobicContact CG-CZ3 4.24Å; I706-W711 HydrophobicContact CG2-CB 3.72Å; I706-W711 HydrophobicContact CG2-CD2 3.82Å; I706-W711 HydrophobicContact CG2-CE3 3.56Å; I706-W711 HydrophobicContact CG2-CG 3.92Å; I706-W711 HydrophobicContact CG2-CZ3 4.41Å; T709-W711 PolarHBondContact O-N 3.09Å; W711-P713 HydrophobicContact CH2-CB 3.85Å; W711-P713 HydrophobicContact CZ3-CB 4.03Å
712	K	61	Low	58.7	Low	177 Å²	177	107.6 Å²	107.6	77%	0.77	57%	0.572	S	S	*	*			trans	-96.4	143.5	162.3	-60.8	-177.2	-177.5	-178.7	0	107.5	G710 S714	G710-K712 PolarHBondContact O-N 3.49Å; G710-K712 VanDerWaalsContact O-N 3.11Å; K712-S714 PolarHBondContact O-N 3.05Å
713	P	60	Low	57.8	Low	73 Å²	73	111.1 Å²	111.1	47%	0.474	58%	0.579	S	S	.	*			trans	-54.3	125.2	175.2	22	-33.2	0	0	0	110.1	W711 G715	W711-P713 HydrophobicContact CH2-CB 3.85Å; W711-P713 HydrophobicContact CZ3-CB 4.03Å; P713-G715 PolarHBondContact O-N 3.31Å
714	S	49.3	Very low	57.4	Low	98 Å²	98	112.4 Å²	112.4	69%	0.685	59%	0.586	S	S	*	*			trans	-67.2	102.4	-173.5	-171.9	0	0	0	0	110.3	K712 K716	K712-S714 PolarHBondContact O-N 3.05Å; S714-K716 PolarHBondContact O-N 3.33Å
715	G	49.3	Very low	57.5	Low	74 Å²	74	115.1 Å²	115.1	76%	0.763	60%	0.604	S	S	*	*			trans	-67.3	73.2	178.3	0	0	0	0	0	112.9	P713	P713-G715 PolarHBondContact O-N 3.31Å
716	K	42.1	Very low	57.9	Low	197 Å²	197	118 Å²	118	86%	0.857	62%	0.615	S	S	*	*			trans	-100.7	29.1	167.3	-77.8	-158.2	175	-172.7	0	113.4	S714	S714-K716 PolarHBondContact O-N 3.33Å
717	E	40.3	Very low	58.1	Low	138 Å²	138	120.6 Å²	120.6	65%	0.645	63%	0.626	S	S	*	*			trans	-98.8	120.8	146.2	-76.1	-177.7	-148.1	0	0	108.9	S719	E717-S719 WeakPolarHBondContact CB-OG 3.29Å; E717-S719 PolarHBondContact O-N 3.46Å; E717-S719 PolarHBondContact OE2-OG 3.04Å
718	K	43.8	Very low	58.7	Low	224 Å²	224	114.7 Å²	114.7	97%	0.974	61%	0.606	S	S	*	*			trans	-84.8	56.8	156.6	-83.5	-167	169.8	-172.2	0	109.3
719	S	38.1	Very low	59.5	Low	76 Å²	76	112.2 Å²	112.2	53%	0.531	59%	0.593	S	S	.	*			trans	-88.1	116.7	165.3	49.1	0	0	0	0	107.6	E717 E721	E717-S719 WeakPolarHBondContact CB-OG 3.29Å; E717-S719 PolarHBondContact O-N 3.46Å; E717-S719 PolarHBondContact OE2-OG 3.04Å; S719-E721 PolarHBondContact O-N 3.45Å
720	K	37.4	Very low	60.4	Low	189 Å²	189	111 Å²	111	82%	0.822	59%	0.588	S	S	*	*			trans	-47.7	119.4	-165.3	-60.8	175.4	177.8	-178	0	114.2
721	E	36.1	Very low	61.6	Low	175 Å²	175	110 Å²	110	82%	0.818	57%	0.57	S	S	*	*	S	Bend	trans	55.5	161.9	155.8	-73.5	176.5	150	0	0	118.2	S719 R723	S719-E721 PolarHBondContact O-N 3.45Å; E721-R723 PolarHBondContact O-N 3.42Å
722	P	43.1	Very low	62.7	Low	123 Å²	123	104.8 Å²	104.8	80%	0.799	55%	0.551	S	S	*	*			trans	-64.6	102.9	161.4	28.3	-33.1	0	0	0	108.4	D724	P722-D724 PolarHBondContact O-N 2.97Å; P722-D724 VanDerWaalsContact O-N 3.14Å
723	R	56.1	Low	64.3	Low	114 Å²	114	102 Å²	102	43%	0.43	54%	0.539	S	S	.	.			trans	-54.1	123.7	166.8	-63.5	-168.7	-157.9	-176.7	7.8	107.7	E721 G828	E721-R723 PolarHBondContact O-N 3.42Å; R723-G828 PolarHBondContact NH2-O 3.36Å
724	D	72	Confident	65.9	Low	79 Å²	79	101.4 Å²	101.4	42%	0.422	54%	0.537	S	S	.	.			trans	-44.8	131	177.6	156.1	38.5	0	0	0	111.1	P722 D726 Q727 L728	P722-D724 PolarHBondContact O-N 2.97Å; P722-D724 VanDerWaalsContact O-N 3.14Å; D724-D726 PolarHBondContact O-N 2.76Å; D724-D726 VanDerWaalsContact O-N 3.15Å; D724-D726 PolarHBondContact OD1-N 3.25Å; D724-D726 WeakPolarHBondContact OD2-CB 3.25Å; D724-Q727 HydrophobicContact CB-CB 3.97Å; D724-Q727 CarbonylContact O-C 3.6Å; D724-Q727 WeakPolarHBondContact O-CA 3.17Å; D724-Q727 WeakPolarHBondContact O-CB 3.28Å; D724-Q727 PolarHBondContact O-N 3.24Å; D724-Q727 PolarHBondContact OD2-N 3.29Å; D724-L728 PolarHBondContact O-N 2.74Å
725	P	75.8	Confident	68	Low	96 Å²	96	97 Å²	97	62%	0.623	51%	0.505	S	S	*	.	H	α-helix	trans	-51.5	-31.2	175.3	-28.9	36.4	0	0	0	114.4	Y729	P725-Y729 VanDerWaalsContact O-CB 3.26Å; P725-Y729 WeakPolarHBondContact O-CB 3.2Å; P725-Y729 PolarHBondContact O-N 3.36Å
726	D	81.3	Confident	70.1	Confident	78 Å²	78	93.7 Å²	93.7	42%	0.417	47%	0.47	S	S	.	.	H	α-helix	trans	-77.4	-36.3	175.2	-79.7	-46.8	0	0	0	113	D724 Y729 S730 R780	D724-D726 PolarHBondContact O-N 2.76Å; D724-D726 VanDerWaalsContact O-N 3.15Å; D724-D726 PolarHBondContact OD1-N 3.25Å; D724-D726 WeakPolarHBondContact OD2-CB 3.25Å; D726-Y729 PolarHBondContact O-N 2.62Å; D726-S730 VanDerWaalsContact O-CB 3.25Å; D726-S730 WeakPolarHBondContact O-CB 3.45Å; D726-S730 PolarHBondContact O-N 3.09Å; D726-S730 PolarHBondContact O-OG 3.29Å; D726-R780 IonicContact OD1-CZ 2.7Å; D726-R780 IonicContact OD1-NH1 3.68Å; D726-R780 PolarHBondContact OD1-NH1 3.2Å; D726-R780 IonicContact OD1-NH2 3.48Å; D726-R780 PolarHBondContact OD1-NH2 3.11Å
727	Q	83.6	Confident	72.6	Confident	102 Å²	102	90.2 Å²	90.2	48%	0.477	46%	0.457	S	S	.	.	H	α-helix	trans	-61.6	-43	166.9	-172.6	-174.4	81.3	0	0	112.1	D724 S730 T731	D724-Q727 HydrophobicContact CB-CB 3.97Å; D724-Q727 CarbonylContact O-C 3.6Å; D724-Q727 WeakPolarHBondContact O-CA 3.17Å; D724-Q727 WeakPolarHBondContact O-CB 3.28Å; D724-Q727 PolarHBondContact O-N 3.24Å; D724-Q727 PolarHBondContact OD2-N 3.29Å; Q727-S730 PolarHBondContact O-N 3.29Å; Q727-T731 WeakPolarHBondContact O-CB 3.24Å; Q727-T731 PolarHBondContact O-N 2.96Å; Q727-T731 PolarHBondContact O-OG1 3.3Å
728	L	85.4	Confident	75.1	Confident	29 Å²	29	86.5 Å²	86.5	15%	0.152	44%	0.44	C	S	.	.	H	α-helix	trans	-63.4	-49.8	175.7	177.6	62.3	0	0	0	110.8	D724 S730 T731 L732	D724-L728 PolarHBondContact O-N 2.74Å; L728-S730 VanDerWaalsContact C-N 3.32Å; L728-S730 PolarHBondContact O-N 3.19Å; L728-T731 WeakPolarHBondContact O-CB 3.34Å; L728-T731 PolarHBondContact O-N 3.26Å; L728-L732 HydrophobicContact CD1-CD1 4.15Å; L728-L732 HydrophobicContact CD1-CD2 4.49Å; L728-L732 HydrophobicContact CD1-CG 4.08Å; L728-L732 HydrophobicContact CG-CD1 4.18Å; L728-L732 HydrophobicContact CG-CG 4.44Å; L728-L732 WeakPolarHBondContact O-CG 3.28Å; L728-L732 PolarHBondContact O-N 3.07Å
729	Y	89.9	Confident	77.5	Confident	53 Å²	53	75.9 Å²	75.9	21%	0.208	39%	0.393	C	S	.	.	H	α-helix	trans	-55.8	-45.9	176.3	169.6	-102.6	0	0	0	111.9	P725 D726 T731 L732 K733 L777	P725-Y729 VanDerWaalsContact O-CB 3.26Å; P725-Y729 WeakPolarHBondContact O-CB 3.2Å; P725-Y729 PolarHBondContact O-N 3.36Å; D726-Y729 PolarHBondContact O-N 2.62Å; Y729-T731 PolarHBondContact O-N 2.83Å; Y729-L732 PolarHBondContact O-N 3.25Å; Y729-K733 HydrophobicContact CE1-CD 4.37Å; Y729-K733 VanDerWaalsContact O-CB 3.26Å; Y729-K733 WeakPolarHBondContact O-CB 3.15Å; Y729-K733 PolarHBondContact O-N 3.02Å; Y729-L777 HydrophobicContact CD2-CD1 3.71Å; Y729-L777 HydrophobicContact CD2-CG 4.09Å; Y729-L777 HydrophobicContact CE2-CD1 4.08Å; Y729-L777 HydrophobicContact CE2-CG 3.93Å; Y729-L777 VanDerWaalsContact CE2-O 3.31Å; Y729-L777 WeakPolarHBondContact CE2-O 3.34Å
730	S	90.2	Very high	80.2	Confident	69 Å²	69	74.7 Å²	74.7	48%	0.483	38%	0.379	S	S	.	.	H	α-helix	trans	-63.6	-39.6	177.9	-59.9	0	0	0	0	112.4	D726 Q727 L728 K733 S734	D726-S730 VanDerWaalsContact O-CB 3.25Å; D726-S730 WeakPolarHBondContact O-CB 3.45Å; D726-S730 PolarHBondContact O-N 3.09Å; D726-S730 PolarHBondContact O-OG 3.29Å; Q727-S730 PolarHBondContact O-N 3.29Å; L728-S730 VanDerWaalsContact C-N 3.32Å; L728-S730 PolarHBondContact O-N 3.19Å; S730-K733 PolarHBondContact O-N 3.41Å; S730-S734 PolarHBondContact O-N 3.29Å
731	T	90.3	Very high	82.9	Confident	35 Å²	35	69.9 Å²	69.9	22%	0.215	37%	0.369	C	S	.	.	H	α-helix	trans	-63.3	-49.9	175.3	-55	0	0	0	0	111	Q727 L728 Y729 K733 S734 I735 A827 L829	Q727-T731 WeakPolarHBondContact O-CB 3.24Å; Q727-T731 PolarHBondContact O-N 2.96Å; Q727-T731 PolarHBondContact O-OG1 3.3Å; L728-T731 WeakPolarHBondContact O-CB 3.34Å; L728-T731 PolarHBondContact O-N 3.26Å; Y729-T731 PolarHBondContact O-N 2.83Å; T731-K733 VanDerWaalsContact C-N 3.31Å; T731-K733 PolarHBondContact O-N 3.42Å; T731-S734 PolarHBondContact O-N 3.47Å; T731-I735 HydrophobicContact CG2-CD1 4.07Å; T731-I735 WeakPolarHBondContact O-CG1 3.42Å; T731-I735 PolarHBondContact O-N 2.95Å; T731-A827 HydrophobicContact CG2-CB 4.07Å; T731-L829 HydrophobicContact CG2-CD1 4.11Å
732	L	92.2	Very high	85.7	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-65.2	-34.9	179	-63.7	-178.4	0	0	0	112	L728 Y729 I735 L736 L777 F788 L829	L728-L732 HydrophobicContact CD1-CD1 4.15Å; L728-L732 HydrophobicContact CD1-CD2 4.49Å; L728-L732 HydrophobicContact CD1-CG 4.08Å; L728-L732 HydrophobicContact CG-CD1 4.18Å; L728-L732 HydrophobicContact CG-CG 4.44Å; L728-L732 WeakPolarHBondContact O-CG 3.28Å; L728-L732 PolarHBondContact O-N 3.07Å; Y729-L732 PolarHBondContact O-N 3.25Å; L732-I735 PolarHBondContact O-N 3.45Å; L732-L736 WeakPolarHBondContact O-CB 3.15Å; L732-L736 PolarHBondContact O-N 3.47Å; L732-L777 HydrophobicContact CB-CD1 3.84Å; L732-L777 HydrophobicContact CB-CD2 4.44Å; L732-L777 HydrophobicContact CD1-CD1 4.37Å; L732-F788 HydrophobicContact CB-CD2 4.33Å; L732-F788 HydrophobicContact CB-CE2 4.41Å; L732-F788 HydrophobicContact CD1-CB 4.05Å; L732-F788 HydrophobicContact CD1-CD2 4.38Å; L732-F788 HydrophobicContact CD1-CG 4.27Å; L732-F788 HydrophobicContact CD2-CB 4.07Å; L732-F788 HydrophobicContact CD2-CD1 3.78Å; L732-F788 HydrophobicContact CD2-CD2 4.34Å; L732-F788 HydrophobicContact CD2-CE1 4.28Å; L732-F788 HydrophobicContact CD2-CG 3.81Å; L732-F788 HydrophobicContact CG-CG 4.45Å; L732-L829 HydrophobicContact CD2-CD1 4.07Å
733	K	93.4	Very high	88.1	Confident	119 Å²	119	65.5 Å²	65.5	52%	0.517	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-43.4	174.6	-173.1	-179.2	176.8	-172.4	0	111.9	Y729 S730 T731 Q737 L777	Y729-K733 HydrophobicContact CE1-CD 4.37Å; Y729-K733 VanDerWaalsContact O-CB 3.26Å; Y729-K733 WeakPolarHBondContact O-CB 3.15Å; Y729-K733 PolarHBondContact O-N 3.02Å; S730-K733 PolarHBondContact O-N 3.41Å; T731-K733 VanDerWaalsContact C-N 3.31Å; T731-K733 PolarHBondContact O-N 3.42Å; K733-Q737 WeakPolarHBondContact O-CB 3.48Å; K733-Q737 PolarHBondContact O-N 2.87Å; K733-L777 HydrophobicContact CB-CD2 3.95Å
734	S	93.8	Very high	89.9	Confident	61 Å²	61	60.4 Å²	60.4	43%	0.427	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-46.3	174.8	-177.2	0	0	0	0	111.9	S730 T731 Q737 Q738	S730-S734 PolarHBondContact O-N 3.29Å; T731-S734 PolarHBondContact O-N 3.47Å; S734-Q737 PolarHBondContact O-N 3.19Å; S734-Q738 WeakPolarHBondContact O-CG 3.41Å; S734-Q738 PolarHBondContact O-N 3.4Å; S734-Q738 PolarHBondContact O-NE2 2.91Å; S734-Q738 PolarHBondContact OG-NE2 3.03Å
735	I	93.3	Very high	91	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-46.9	178.5	-64.9	165.3	0	0	0	111	T731 L732 Q737 Q738 V739 F788 F820 K823 I824 A827 L829	T731-I735 HydrophobicContact CG2-CD1 4.07Å; T731-I735 WeakPolarHBondContact O-CG1 3.42Å; T731-I735 PolarHBondContact O-N 2.95Å; L732-I735 PolarHBondContact O-N 3.45Å; I735-Q737 VanDerWaalsContact C-N 3.32Å; I735-Q737 PolarHBondContact O-N 2.74Å; I735-Q738 PolarHBondContact O-N 2.73Å; I735-V739 HydrophobicContact CG2-CG2 4.43Å; I735-V739 WeakPolarHBondContact O-CG2 3.25Å; I735-V739 PolarHBondContact O-N 2.92Å; I735-F788 HydrophobicContact CG2-CE1 4.04Å; I735-F788 HydrophobicContact CG2-CZ 4.35Å; I735-F820 HydrophobicContact CG2-CD2 4.48Å; I735-K823 HydrophobicContact CG2-CB 4.41Å; I735-I824 HydrophobicContact CD1-CG1 4.19Å; I735-A827 HydrophobicContact CD1-CB 3.76Å; I735-A827 HydrophobicContact CG1-CB 4.44Å; I735-L829 HydrophobicContact CD1-CD1 3.54Å
736	L	94.2	Very high	91.9	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-39.3	179.8	-172.7	60.6	0	0	0	111.8	L732 V739 K740 L770 M773 L777 F788 L792	L732-L736 WeakPolarHBondContact O-CB 3.15Å; L732-L736 PolarHBondContact O-N 3.47Å; L736-V739 PolarHBondContact O-N 3.15Å; L736-K740 HydrophobicContact CD1-CD 4.45Å; L736-K740 HydrophobicContact CG-CD 4.16Å; L736-K740 WeakPolarHBondContact O-CB 3.46Å; L736-K740 VanDerWaalsContact O-CG 3.29Å; L736-K740 WeakPolarHBondContact O-CG 3.33Å; L736-K740 PolarHBondContact O-N 3.37Å; L736-L770 HydrophobicContact CD1-CD2 4.11Å; L736-M773 HydrophobicContact CD1-CB 4.28Å; L736-M773 HydrophobicContact CD2-CB 4.37Å; L736-L777 HydrophobicContact CB-CD2 4.46Å; L736-L777 HydrophobicContact CD2-CD2 4.01Å; L736-F788 HydrophobicContact CB-CE2 4.01Å; L736-F788 HydrophobicContact CB-CZ 3.9Å; L736-F788 HydrophobicContact CD1-CE2 4.24Å; L736-F788 HydrophobicContact CD1-CZ 4.2Å; L736-F788 HydrophobicContact CD2-CE2 4.36Å; L736-F788 HydrophobicContact CG-CE2 4.43Å; L736-L792 HydrophobicContact CD1-CD1 4.39Å
737	Q	94	Very high	92.4	Very high	123 Å²	123	56.6 Å²	56.6	58%	0.575	28%	0.284	S	S	*	.	H	α-helix	trans	-64	-44.5	175.6	-173.3	62.8	20.7	0	0	111.5	K733 S734 I735 V739 K740 S741	K733-Q737 WeakPolarHBondContact O-CB 3.48Å; K733-Q737 PolarHBondContact O-N 2.87Å; S734-Q737 PolarHBondContact O-N 3.19Å; I735-Q737 VanDerWaalsContact C-N 3.32Å; I735-Q737 PolarHBondContact O-N 2.74Å; Q737-V739 PolarHBondContact O-N 3.3Å; Q737-K740 PolarHBondContact O-N 2.87Å; Q737-S741 PolarHBondContact O-N 3.48Å; Q737-S741 PolarHBondContact O-OG 2.94Å
738	Q	93.6	Very high	93	Very high	61 Å²	61	52.3 Å²	52.3	29%	0.285	26%	0.264	S	S	.	.	H	α-helix	trans	-61.7	-42.1	176.8	-73.3	174.6	58.9	0	0	112.4	S734 I735 S741 H742 F819	S734-Q738 WeakPolarHBondContact O-CG 3.41Å; S734-Q738 PolarHBondContact O-N 3.4Å; S734-Q738 PolarHBondContact O-NE2 2.91Å; S734-Q738 PolarHBondContact OG-NE2 3.03Å; I735-Q738 PolarHBondContact O-N 2.73Å; Q738-S741 WeakPolarHBondContact CA-OG 3.39Å; Q738-S741 PolarHBondContact O-N 3.49Å; Q738-S741 PolarHBondContact O-OG 3.36Å; Q738-H742 PolarHBondContact O-N 3.26Å; Q738-F819 HydrophobicContact CB-CE1 4.46Å
739	V	93.9	Very high	93.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-43.1	175.1	171	0	0	0	0	110.8	I735 L736 Q737 S741 H742 A745 L770 L792 L816 F819 F820	I735-V739 HydrophobicContact CG2-CG2 4.43Å; I735-V739 WeakPolarHBondContact O-CG2 3.25Å; I735-V739 PolarHBondContact O-N 2.92Å; L736-V739 PolarHBondContact O-N 3.15Å; Q737-V739 PolarHBondContact O-N 3.3Å; V739-S741 VanDerWaalsContact C-N 3.33Å; V739-S741 PolarHBondContact O-N 3.45Å; V739-H742 WeakPolarHBondContact O-CB 3.37Å; V739-H742 PolarHBondContact O-N 3Å; V739-A745 VanDerWaalsContact O-CB 3.24Å; V739-A745 WeakPolarHBondContact O-CB 3.34Å; V739-L770 HydrophobicContact CG1-CD1 4.26Å; V739-L770 HydrophobicContact CG1-CD2 4.06Å; V739-L792 HydrophobicContact CG1-CD1 4.4Å; V739-L792 HydrophobicContact CG1-CD2 4.35Å; V739-L792 HydrophobicContact CG2-CD2 4.39Å; V739-L816 HydrophobicContact CG1-CD1 4.08Å; V739-L816 HydrophobicContact CG1-CD2 3.9Å; V739-L816 HydrophobicContact CG1-CG 4.03Å; V739-F819 HydrophobicContact CG2-CD1 4.46Å; V739-F820 HydrophobicContact CG2-CB 4.34Å
740	K	94.1	Very high	93.5	Very high	52 Å²	52	56.3 Å²	56.3	23%	0.226	28%	0.284	C	S	.	.	H	α-helix	trans	-67.2	-28.4	176.9	-72.2	175.5	75.1	-179.5	0	113.7	L736 Q737 H742 M749 L770 S774	L736-K740 HydrophobicContact CD1-CD 4.45Å; L736-K740 HydrophobicContact CG-CD 4.16Å; L736-K740 WeakPolarHBondContact O-CB 3.46Å; L736-K740 VanDerWaalsContact O-CG 3.29Å; L736-K740 WeakPolarHBondContact O-CG 3.33Å; L736-K740 PolarHBondContact O-N 3.37Å; Q737-K740 PolarHBondContact O-N 2.87Å; K740-H742 VanDerWaalsContact C-N 3.34Å; K740-M749 HydrophobicContact CB-CE 4.21Å; K740-M749 HydrophobicContact CB-SD 4.03Å; K740-M749 HydrophobicContact CG-SD 4.04Å; K740-M749 WeakPolarHBondContact O-CE 3.36Å; K740-L770 HydrophobicContact CD-CB 4.15Å; K740-L770 HydrophobicContact CG-CB 3.85Å; K740-L770 HydrophobicContact CG-CD1 3.78Å; K740-L770 HydrophobicContact CG-CG 4.32Å; K740-S774 PolarHBondContact NZ-OG 3.15Å
741	S	93.9	Very high	93.7	Very high	87 Å²	87	55.7 Å²	55.7	61%	0.608	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.6	176.2	55.9	0	0	0	0	114.8	Q737 Q738 V739	Q737-S741 PolarHBondContact O-N 3.48Å; Q737-S741 PolarHBondContact O-OG 2.94Å; Q738-S741 WeakPolarHBondContact CA-OG 3.39Å; Q738-S741 PolarHBondContact O-N 3.49Å; Q738-S741 PolarHBondContact O-OG 3.36Å; V739-S741 VanDerWaalsContact C-N 3.33Å; V739-S741 PolarHBondContact O-N 3.45Å
742	H	95.6	Very high	93.7	Very high	39 Å²	39	56 Å²	56	18%	0.181	28%	0.281	C	S	.	.	S	Bend	trans	-76.9	139	-178	-177.2	-83.5	0	0	0	111.3	Q738 V739 K740 S744 A745 L816 F819	Q738-H742 PolarHBondContact O-N 3.26Å; V739-H742 WeakPolarHBondContact O-CB 3.37Å; V739-H742 PolarHBondContact O-N 3Å; K740-H742 VanDerWaalsContact C-N 3.34Å; H742-S744 VanDerWaalsContact C-N 3.25Å; H742-S744 PolarHBondContact CE1-OG 3.06Å; H742-S744 PolarHBondContact ND1-N 3.44Å; H742-S744 VanDerWaalsContact ND1-N 3.15Å; H742-S744 PolarHBondContact O-N 3.42Å; H742-S744 VanDerWaalsContact O-N 3.08Å; H742-A745 WeakPolarHBondContact O-CB 3.47Å; H742-A745 PolarHBondContact O-N 3.4Å; H742-L816 HydrophobicContact CB-CD1 3.5Å; H742-L816 WeakPolarHBondContact ND1-CD1 3.37Å; H742-F819 HydrophobicContact CB-CD1 4.24Å; H742-F819 HydrophobicContact CB-CE1 4.14Å; H742-F819 AromaticContact CD2-CD1 3.87Å; H742-F819 AromaticContact CD2-CD2 3.67Å; H742-F819 AromaticContact CD2-CE2 3.94Å; H742-F819 AromaticContact CD2-CG 3.64Å
743	Q	93.9	Very high	93.6	Very high	167 Å²	167	60.4 Å²	60.4	78%	0.78	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-53.4	-37.2	-173.8	68.3	-172.7	29.3	0	0	114.4	A745	Q743-A745 VanDerWaalsContact C-N 3.27Å; Q743-A745 PolarHBondContact O-N 2.89Å
744	S	94.5	Very high	93.2	Very high	8 Å²	8	63.9 Å²	63.9	6%	0.056	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-82.1	10.7	177.8	-47.9	0	0	0	0	114.8	H742 F748	H742-S744 VanDerWaalsContact C-N 3.25Å; H742-S744 PolarHBondContact CE1-OG 3.06Å; H742-S744 PolarHBondContact ND1-N 3.44Å; H742-S744 VanDerWaalsContact ND1-N 3.15Å; H742-S744 PolarHBondContact O-N 3.42Å; H742-S744 VanDerWaalsContact O-N 3.08Å; S744-F748 WeakPolarHBondContact O-CE2 3.38Å
745	A	94.9	Very high	92.8	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-84.8	-16.6	-177.9	0	0	0	0	0	114.4	V739 H742 Q743 F748 M749 L770 L816	V739-A745 VanDerWaalsContact O-CB 3.24Å; V739-A745 WeakPolarHBondContact O-CB 3.34Å; H742-A745 WeakPolarHBondContact O-CB 3.47Å; H742-A745 PolarHBondContact O-N 3.4Å; Q743-A745 VanDerWaalsContact C-N 3.27Å; Q743-A745 PolarHBondContact O-N 2.89Å; A745-F748 PolarHBondContact O-N 3.37Å; A745-M749 PolarHBondContact O-N 2.93Å; A745-L770 HydrophobicContact CB-CD1 4.2Å; A745-L816 HydrophobicContact CB-CD1 4.33Å; A745-L816 HydrophobicContact CB-CD2 3.91Å
746	W	93.1	Very high	92.3	Very high	148 Å²	148	72.7 Å²	72.7	56%	0.561	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-51.8	-37.7	-172.2	70.4	-96	0	0	0	115.6	F748 Y809	W746-F748 PolarHBondContact O-N 3.43Å; W746-Y809 HydrophobicContact CH2-CD1 4.2Å; W746-Y809 AromaticContact CH2-CE1 3.41Å; W746-Y809 HydrophobicContact CH2-CE1 3.41Å; W746-Y809 VanDerWaalsContact CH2-CE1 3.41Å; W746-Y809 HydrophobicContact CZ2-CE1 4.28Å; W746-Y809 AromaticContact CZ3-CE1 3.76Å; W746-Y809 HydrophobicContact CZ3-CE1 3.76Å
747	P	93	Very high	91.9	Very high	24 Å²	24	72.9 Å²	72.9	16%	0.156	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-71.1	-15.1	-180	-15.3	31	0	0	0	113.9	Y809 C812	P747-Y809 HydrophobicContact CB-CD1 3.71Å; P747-Y809 HydrophobicContact CB-CE1 4.05Å; P747-Y809 HydrophobicContact CG-CD1 3.89Å; P747-Y809 HydrophobicContact CG-CE1 4.3Å; P747-C812 HydrophobicContact CG-CB 4.13Å
748	F	96.1	Very high	91.7	Very high	12 Å²	12	71.9 Å²	71.9	5%	0.053	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-109.4	1.2	-171.4	-45.5	-59.9	0	0	0	112.3	S744 A745 W746 E750 L770 V795 F796 C799 C812 A813 L816	S744-F748 WeakPolarHBondContact O-CE2 3.38Å; A745-F748 PolarHBondContact O-N 3.37Å; W746-F748 PolarHBondContact O-N 3.43Å; F748-E750 VanDerWaalsContact C-N 3.3Å; F748-E750 PolarHBondContact O-N 3.47Å; F748-L770 HydrophobicContact CB-CD1 3.96Å; F748-L770 HydrophobicContact CB-CG 3.95Å; F748-L770 VanDerWaalsContact O-CB 3.29Å; F748-L770 WeakPolarHBondContact O-CB 3.41Å; F748-L770 VanDerWaalsContact O-CG 3.25Å; F748-L770 WeakPolarHBondContact O-CG 3.32Å; F748-L770 PolarHBondContact O-N 2.94Å; F748-V795 HydrophobicContact CB-CG1 3.69Å; F748-V795 HydrophobicContact CD1-CG1 3.48Å; F748-V795 VanDerWaalsContact CD1-CG1 3.48Å; F748-V795 HydrophobicContact CE1-CG1 4.31Å; F748-V795 HydrophobicContact CG-CG1 3.65Å; F748-F796 HydrophobicContact CE2-CE1 4.44Å; F748-C799 HydrophobicContact CE1-CB 3.79Å; F748-C799 HydrophobicContact CZ-CB 4.46Å; F748-C812 HydrophobicContact CE2-CB 4.11Å; F748-C812 HydrophobicContact CZ-CB 4.28Å; F748-A813 HydrophobicContact CZ-CB 3.89Å; F748-L816 HydrophobicContact CD2-CD2 3.66Å; F748-L816 HydrophobicContact CE2-CD2 4.12Å
749	M	93.1	Very high	91.4	Very high	73 Å²	73	70.2 Å²	70.2	36%	0.36	36%	0.358	S	S	.	.	S	Bend	trans	-68.1	-27	-173.7	-76.4	-66.5	-128.5	0	0	113.7	K740 A745 L770 K771	K740-M749 HydrophobicContact CB-CE 4.21Å; K740-M749 HydrophobicContact CB-SD 4.03Å; K740-M749 HydrophobicContact CG-SD 4.04Å; K740-M749 WeakPolarHBondContact O-CE 3.36Å; A745-M749 PolarHBondContact O-N 2.93Å; M749-L770 HydrophobicContact SD-CD1 4.27Å; M749-K771 VanDerWaalsContact O-CB 3.23Å; M749-K771 WeakPolarHBondContact O-CB 3.43Å; M749-K771 PolarHBondContact O-N 2.86Å
750	E	93.1	Very high	91.2	Very high	93 Å²	93	71 Å²	71	44%	0.435	36%	0.361	S	S	.	.	S	Bend	trans	-139.5	164.6	-179.1	-60.7	-144.3	122.6	0	0	111.5	F748 V752 K771	F748-E750 VanDerWaalsContact C-N 3.3Å; F748-E750 PolarHBondContact O-N 3.47Å; E750-V752 PolarHBondContact O-N 3.08Å; E750-K771 HydrophobicContact CB-CD 4.45Å; E750-K771 HydrophobicContact CG-CD 4.08Å; E750-K771 WeakPolarHBondContact OE1-CD 3.36Å; E750-K771 WeakPolarHBondContact OE1-CE 3.37Å; E750-K771 IonicContact OE1-NZ 2.63Å; E750-K771 PolarHBondContact OE1-NZ 3.15Å
751	P	93.1	Very high	91	Very high	56 Å²	56	72.8 Å²	72.8	36%	0.364	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-59.1	134.5	170.9	-20.8	30.4	0	0	0	112.3	K753 D769	P751-K753 PolarHBondContact O-N 3.02Å; P751-D769 WeakPolarHBondContact CG-OD2 3.44Å
752	V	91.6	Very high	90.8	Very high	42 Å²	42	76.7 Å²	76.7	26%	0.255	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-60.3	122.8	179.7	179.5	0	0	0	0	111.1	E750 A757 Y760 Y761	E750-V752 PolarHBondContact O-N 3.08Å; V752-A757 HydrophobicContact CG1-CB 3.46Å; V752-A757 VanDerWaalsContact CG1-CB 3.46Å; V752-Y760 HydrophobicContact CB-CD1 3.96Å; V752-Y760 HydrophobicContact CB-CE1 3.78Å; V752-Y760 HydrophobicContact CB-CG 4.42Å; V752-Y760 HydrophobicContact CG1-CD1 3.96Å; V752-Y760 HydrophobicContact CG1-CD2 4.16Å; V752-Y760 HydrophobicContact CG1-CE1 4.2Å; V752-Y760 HydrophobicContact CG1-CE2 4.41Å; V752-Y760 HydrophobicContact CG1-CG 3.94Å; V752-Y760 HydrophobicContact CG2-CE1 3.96Å; V752-Y760 HydrophobicContact CG2-CE2 4.23Å; V752-Y761 WeakPolarHBondContact O-CE2 3.37Å; V752-Y761 PolarHBondContact O-OH 3.04Å
753	K	89.1	Confident	90.5	Very high	94 Å²	94	78.1 Å²	78.1	41%	0.409	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-79.1	140.7	-178.7	-51.8	-172.4	-153.7	75.4	0	111.3	P751 T755 E756 A757	P751-K753 PolarHBondContact O-N 3.02Å; K753-T755 PolarHBondContact O-N 2.96Å; K753-T755 VanDerWaalsContact O-N 3.15Å; K753-E756 HydrophobicContact CB-CB 4.29Å; K753-E756 HydrophobicContact CB-CG 4.17Å; K753-E756 WeakPolarHBondContact CB-OE2 3.31Å; K753-E756 WeakPolarHBondContact CD-OE1 3.29Å; K753-E756 VanDerWaalsContact CG-OE2 3.29Å; K753-E756 WeakPolarHBondContact CG-OE2 3.3Å; K753-E756 IonicContact NZ-OE1 2.65Å; K753-E756 PolarHBondContact NZ-OE1 3.34Å; K753-E756 IonicContact NZ-OE2 2.76Å; K753-E756 PolarHBondContact NZ-OE2 3.5Å; K753-E756 PolarHBondContact O-N 3.2Å; K753-A757 PolarHBondContact O-N 2.92Å; K753-A757 VanDerWaalsContact O-N 3.09Å
754	R	85.1	Confident	90.4	Very high	192 Å²	192	70.2 Å²	70.2	73%	0.725	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.8	176.9	-67.4	-175.4	179	-167.4	-0.2	113.8	Y761	R754-Y761 HydrophobicContact CG-CD2 3.67Å; R754-Y761 HydrophobicContact CG-CE2 3.69Å
755	T	85.6	Confident	90.1	Very high	125 Å²	125	80.3 Å²	80.3	77%	0.767	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-20.3	175.6	48.7	0	0	0	0	113.6	K753	K753-T755 PolarHBondContact O-N 2.96Å; K753-T755 VanDerWaalsContact O-N 3.15Å
756	E	83	Confident	89.8	Confident	125 Å²	125	87.3 Å²	87.3	58%	0.584	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-22.4	-176	-69.1	164	-179.6	0	0	111.7	K753	K753-E756 HydrophobicContact CB-CB 4.29Å; K753-E756 HydrophobicContact CB-CG 4.17Å; K753-E756 WeakPolarHBondContact CB-OE2 3.31Å; K753-E756 WeakPolarHBondContact CD-OE1 3.29Å; K753-E756 VanDerWaalsContact CG-OE2 3.29Å; K753-E756 WeakPolarHBondContact CG-OE2 3.3Å; K753-E756 IonicContact NZ-OE1 2.65Å; K753-E756 PolarHBondContact NZ-OE1 3.34Å; K753-E756 IonicContact NZ-OE2 2.76Å; K753-E756 PolarHBondContact NZ-OE2 3.5Å; K753-E756 PolarHBondContact O-N 3.2Å
757	A	85.4	Confident	89.7	Confident	9 Å²	9	82.6 Å²	82.6	7%	0.074	41%	0.407	C	S	.	.	S	Bend	trans	-139.3	91	177.6	0	0	0	0	0	111.6	V752 K753 Y760 Y802	V752-A757 HydrophobicContact CG1-CB 3.46Å; V752-A757 VanDerWaalsContact CG1-CB 3.46Å; K753-A757 PolarHBondContact O-N 2.92Å; K753-A757 VanDerWaalsContact O-N 3.09Å; A757-Y760 HydrophobicContact CB-CD2 4.33Å; A757-Y760 HydrophobicContact CB-CG 4.23Å; A757-Y760 VanDerWaalsContact O-CB 3.27Å; A757-Y760 WeakPolarHBondContact O-CB 3.4Å; A757-Y760 PolarHBondContact O-N 3.35Å; A757-Y802 VanDerWaalsContact C-OH 3.31Å; A757-Y802 HydrophobicContact CB-CE1 3.91Å
758	P	89.1	Confident	89.9	Confident	103 Å²	103	82.1 Å²	82.1	67%	0.669	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	137.9	177.3	-25.2	35.4	0	0	0	112.6	Y760 Y802	P758-Y760 PolarHBondContact O-N 3Å; P758-Y802 PolarHBondContact O-OH 3.33Å
759	G	87.3	Confident	89.9	Confident	26 Å²	26	82 Å²	82	27%	0.268	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	0.7	-179.3	0	0	0	0	0	115.9	Y761 E762 V763	G759-Y761 VanDerWaalsContact C-N 3.27Å; G759-Y761 PolarHBondContact O-N 2.92Å; G759-Y761 VanDerWaalsContact O-N 3.16Å; G759-E762 WeakPolarHBondContact O-CB 3.37Å; G759-E762 PolarHBondContact O-N 3.44Å; G759-V763 PolarHBondContact O-N 3.04Å
760	Y	90.9	Very high	90	Very high	15 Å²	15	78.5 Å²	78.5	6%	0.059	39%	0.385	C	S	.	.	H	α-helix	trans	-54.5	-40.9	-174.7	-179.3	-96.8	0	0	0	113.5	V752 A757 P758 E762 I764 P767 Y802	V752-Y760 HydrophobicContact CB-CD1 3.96Å; V752-Y760 HydrophobicContact CB-CE1 3.78Å; V752-Y760 HydrophobicContact CB-CG 4.42Å; V752-Y760 HydrophobicContact CG1-CD1 3.96Å; V752-Y760 HydrophobicContact CG1-CD2 4.16Å; V752-Y760 HydrophobicContact CG1-CE1 4.2Å; V752-Y760 HydrophobicContact CG1-CE2 4.41Å; V752-Y760 HydrophobicContact CG1-CG 3.94Å; V752-Y760 HydrophobicContact CG2-CE1 3.96Å; V752-Y760 HydrophobicContact CG2-CE2 4.23Å; A757-Y760 HydrophobicContact CB-CD2 4.33Å; A757-Y760 HydrophobicContact CB-CG 4.23Å; A757-Y760 VanDerWaalsContact O-CB 3.27Å; A757-Y760 WeakPolarHBondContact O-CB 3.4Å; A757-Y760 PolarHBondContact O-N 3.35Å; P758-Y760 PolarHBondContact O-N 3Å; Y760-E762 VanDerWaalsContact C-N 3.31Å; Y760-E762 PolarHBondContact O-N 3.48Å; Y760-I764 HydrophobicContact CD2-CG1 4.05Å; Y760-I764 HydrophobicContact CE1-CB 4.16Å; Y760-I764 HydrophobicContact CE1-CG1 4.41Å; Y760-I764 HydrophobicContact CE1-CG2 4.28Å; Y760-I764 HydrophobicContact CE2-CB 4.32Å; Y760-I764 HydrophobicContact CE2-CG1 3.67Å; Y760-I764 VanDerWaalsContact O-CB 3.29Å; Y760-I764 WeakPolarHBondContact O-CB 3.24Å; Y760-I764 PolarHBondContact O-N 3.43Å; Y760-P767 HydrophobicContact CE1-CB 4.43Å; Y760-P767 HydrophobicContact CE1-CG 4.46Å; Y760-Y802 AromaticContact CD2-CD1 3.72Å; Y760-Y802 HydrophobicContact CD2-CD1 3.72Å; Y760-Y802 AromaticContact CD2-CD2 3.72Å; Y760-Y802 HydrophobicContact CD2-CD2 3.72Å; Y760-Y802 HydrophobicContact CD2-CE1 4.05Å; Y760-Y802 HydrophobicContact CD2-CE2 4.06Å; Y760-Y802 AromaticContact CD2-CG 3.54Å; Y760-Y802 HydrophobicContact CD2-CG 3.54Å; Y760-Y802 HydrophobicContact CE2-CD1 4.24Å; Y760-Y802 HydrophobicContact CE2-CG 4.03Å; Y760-Y802 HydrophobicContact CG-CD2 4.48Å
761	Y	89.9	Confident	90	Very high	90 Å²	90	78.9 Å²	78.9	35%	0.353	39%	0.385	S	S	.	.	H	α-helix	trans	-79.7	-8.6	179.9	-71.8	-93.3	0	0	0	114.3	V752 R754 G759 P767	V752-Y761 WeakPolarHBondContact O-CE2 3.37Å; V752-Y761 PolarHBondContact O-OH 3.04Å; R754-Y761 HydrophobicContact CG-CD2 3.67Å; R754-Y761 HydrophobicContact CG-CE2 3.69Å; G759-Y761 VanDerWaalsContact C-N 3.27Å; G759-Y761 PolarHBondContact O-N 2.92Å; G759-Y761 VanDerWaalsContact O-N 3.16Å; Y761-P767 HydrophobicContact CD1-CG 3.83Å; Y761-P767 HydrophobicContact CE1-CB 4.32Å; Y761-P767 HydrophobicContact CE1-CG 3.68Å
762	E	89.4	Confident	90	Very high	169 Å²	169	78.1 Å²	78.1	79%	0.79	38%	0.38	S	S	*	.	H	α-helix	trans	-88.8	-35.8	173.7	-65.7	152.3	-142.6	0	0	110.4	G759 Y760	G759-E762 WeakPolarHBondContact O-CB 3.37Å; G759-E762 PolarHBondContact O-N 3.44Å; Y760-E762 VanDerWaalsContact C-N 3.31Å; Y760-E762 PolarHBondContact O-N 3.48Å
763	V	88.5	Confident	90.2	Very high	69 Å²	69	76.1 Å²	76.1	42%	0.418	37%	0.367	S	S	.	.	H	α-helix	trans	-78.8	-55	173.5	-174.9	0	0	0	0	111	G759 R765 Y802	G759-V763 PolarHBondContact O-N 3.04Å; V763-R765 PolarHBondContact O-N 3.44Å; V763-Y802 HydrophobicContact CB-CD2 4.36Å; V763-Y802 HydrophobicContact CG2-CD2 4.41Å
764	I	92.7	Very high	90.5	Very high	2 Å²	2	73.2 Å²	73.2	1%	0.01	36%	0.359	C	S	.	.			trans	-90.1	97.2	-171.2	-56.9	-54.6	0	0	0	111.2	Y760 F766 P767 N798 E801	Y760-I764 HydrophobicContact CD2-CG1 4.05Å; Y760-I764 HydrophobicContact CE1-CB 4.16Å; Y760-I764 HydrophobicContact CE1-CG1 4.41Å; Y760-I764 HydrophobicContact CE1-CG2 4.28Å; Y760-I764 HydrophobicContact CE2-CB 4.32Å; Y760-I764 HydrophobicContact CE2-CG1 3.67Å; Y760-I764 VanDerWaalsContact O-CB 3.29Å; Y760-I764 WeakPolarHBondContact O-CB 3.24Å; Y760-I764 PolarHBondContact O-N 3.43Å; I764-F766 VanDerWaalsContact C-N 3.29Å; I764-F766 PolarHBondContact O-N 3.48Å; I764-P767 HydrophobicContact CG2-CG 4.42Å; I764-N798 HydrophobicContact CD1-CB 4.29Å; I764-N798 WeakPolarHBondContact CD1-O 3.31Å; I764-N798 HydrophobicContact CG1-CB 4.49Å; I764-N798 HydrophobicContact CG2-CB 3.78Å; I764-N798 WeakPolarHBondContact CG2-ND2 3.46Å; I764-E801 HydrophobicContact CD1-CB 3.87Å; I764-E801 HydrophobicContact CD1-CG 3.87Å
765	R	88.5	Confident	90.8	Very high	219 Å²	219	69.7 Å²	69.7	83%	0.826	35%	0.351	S	S	*	.	S	Bend	trans	-64.7	-26	-177.2	-56.8	-177.9	-174	-154.7	-1.9	114.9	V763	V763-R765 PolarHBondContact O-N 3.44Å
766	F	88.3	Confident	91.2	Very high	147 Å²	147	67.3 Å²	67.3	65%	0.645	33%	0.328	S	S	*	.	S	Bend	trans	-136.1	74	-175.3	-61.8	-66.5	0	0	0	111.6	I764 R794 N798	I764-F766 VanDerWaalsContact C-N 3.29Å; I764-F766 PolarHBondContact O-N 3.48Å; F766-R794 WeakPolarHBondContact O-CD 3.43Å; F766-N798 PolarHBondContact O-ND2 3.08Å
767	P	91.1	Very high	91.6	Very high	50 Å²	50	61.8 Å²	61.8	33%	0.325	30%	0.302	S	S	.	.			trans	-53.6	144.8	176.5	-26	36	0	0	0	112.6	Y760 Y761 I764	Y760-P767 HydrophobicContact CE1-CB 4.43Å; Y760-P767 HydrophobicContact CE1-CG 4.46Å; Y761-P767 HydrophobicContact CD1-CG 3.83Å; Y761-P767 HydrophobicContact CE1-CB 4.32Å; Y761-P767 HydrophobicContact CE1-CG 3.68Å; I764-P767 HydrophobicContact CG2-CG 4.42Å
768	M	96.3	Very high	91.9	Very high	13 Å²	13	68.7 Å²	68.7	6%	0.064	33%	0.331	C	S	.	.			trans	-156.4	144.5	177.6	-169.7	49.8	54.7	0	0	110.1	T772 M773 D791 R794 V795	M768-T772 HydrophobicContact CE-CG2 3.96Å; M768-T772 HydrophobicContact SD-CG2 3.75Å; M768-M773 HydrophobicContact CG-CG 4.21Å; M768-M773 HydrophobicContact CG-SD 4.45Å; M768-M773 HydrophobicContact SD-CG 3.67Å; M768-D791 HydrophobicContact CG-CB 4.13Å; M768-D791 WeakPolarHBondContact CG-O 3.25Å; M768-D791 HydrophobicContact SD-CB 4.2Å; M768-R794 HydrophobicContact CB-CB 4.32Å; M768-R794 HydrophobicContact CB-CG 4.48Å; M768-V795 HydrophobicContact CB-CG2 4.18Å; M768-V795 HydrophobicContact CG-CG2 3.83Å
769	D	95.9	Very high	91.9	Very high	9 Å²	9	68.6 Å²	68.6	5%	0.048	33%	0.325	C	S	.	.			trans	-156.3	166.4	-173.4	66.6	89.1	0	0	0	110.9	P751 K771 T772 M773	P751-D769 WeakPolarHBondContact CG-OD2 3.44Å; D769-K771 VanDerWaalsContact C-N 3.31Å; D769-K771 PolarHBondContact O-N 3.09Å; D769-K771 WeakPolarHBondContact OD1-CA 3.35Å; D769-K771 VanDerWaalsContact OD1-CB 3.28Å; D769-K771 WeakPolarHBondContact OD1-CB 3.47Å; D769-K771 PolarHBondContact OD1-N 2.67Å; D769-T772 PolarHBondContact O-N 2.77Å; D769-T772 PolarHBondContact OD1-N 2.85Å; D769-T772 PolarHBondContact OD1-OG1 3.13Å; D769-T772 WeakPolarHBondContact OD2-CB 3.48Å; D769-T772 PolarHBondContact OD2-OG1 3.28Å; D769-M773 WeakPolarHBondContact O-CG 3.36Å; D769-M773 PolarHBondContact O-N 3.24Å
770	L	95.4	Very high	91.9	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-71.9	-19.4	-173.8	-56.8	177.6	0	0	0	113.7	L736 V739 K740 A745 F748 M749 S774 L792	L736-L770 HydrophobicContact CD1-CD2 4.11Å; V739-L770 HydrophobicContact CG1-CD1 4.26Å; V739-L770 HydrophobicContact CG1-CD2 4.06Å; K740-L770 HydrophobicContact CD-CB 4.15Å; K740-L770 HydrophobicContact CG-CB 3.85Å; K740-L770 HydrophobicContact CG-CD1 3.78Å; K740-L770 HydrophobicContact CG-CG 4.32Å; A745-L770 HydrophobicContact CB-CD1 4.2Å; F748-L770 HydrophobicContact CB-CD1 3.96Å; F748-L770 HydrophobicContact CB-CG 3.95Å; F748-L770 VanDerWaalsContact O-CB 3.29Å; F748-L770 WeakPolarHBondContact O-CB 3.41Å; F748-L770 VanDerWaalsContact O-CG 3.25Å; F748-L770 WeakPolarHBondContact O-CG 3.32Å; F748-L770 PolarHBondContact O-N 2.94Å; M749-L770 HydrophobicContact SD-CD1 4.27Å; L770-S774 WeakPolarHBondContact O-CB 3.26Å; L770-S774 PolarHBondContact O-N 3.01Å; L770-S774 PolarHBondContact O-OG 3.26Å; L770-L792 HydrophobicContact CD2-CD1 3.37Å
771	K	94.3	Very high	91.7	Very high	102 Å²	102	77.3 Å²	77.3	44%	0.443	35%	0.35	S	S	.	.	H	α-helix	trans	-79.5	-47.6	174.3	173.2	179.2	-177.1	179.8	0	110.4	M749 E750 D769 M773 S774 E775	M749-K771 VanDerWaalsContact O-CB 3.23Å; M749-K771 WeakPolarHBondContact O-CB 3.43Å; M749-K771 PolarHBondContact O-N 2.86Å; E750-K771 HydrophobicContact CB-CD 4.45Å; E750-K771 HydrophobicContact CG-CD 4.08Å; E750-K771 WeakPolarHBondContact OE1-CD 3.36Å; E750-K771 WeakPolarHBondContact OE1-CE 3.37Å; E750-K771 IonicContact OE1-NZ 2.63Å; E750-K771 PolarHBondContact OE1-NZ 3.15Å; D769-K771 VanDerWaalsContact C-N 3.31Å; D769-K771 PolarHBondContact O-N 3.09Å; D769-K771 WeakPolarHBondContact OD1-CA 3.35Å; D769-K771 VanDerWaalsContact OD1-CB 3.28Å; D769-K771 WeakPolarHBondContact OD1-CB 3.47Å; D769-K771 PolarHBondContact OD1-N 2.67Å; K771-M773 VanDerWaalsContact C-N 3.28Å; K771-M773 PolarHBondContact O-N 3.42Å; K771-S774 WeakPolarHBondContact O-CA 3.36Å; K771-S774 WeakPolarHBondContact O-CB 3.1Å; K771-S774 PolarHBondContact O-N 3.17Å; K771-E775 PolarHBondContact O-N 3.03Å
772	T	92.6	Very high	91.6	Very high	39 Å²	39	73.5 Å²	73.5	24%	0.239	34%	0.335	C	S	.	.	H	α-helix	trans	-55.8	-41.9	169.5	-62.5	0	0	0	0	111.4	M768 D769 E775 R776	M768-T772 HydrophobicContact CE-CG2 3.96Å; M768-T772 HydrophobicContact SD-CG2 3.75Å; D769-T772 PolarHBondContact O-N 2.77Å; D769-T772 PolarHBondContact OD1-N 2.85Å; D769-T772 PolarHBondContact OD1-OG1 3.13Å; D769-T772 WeakPolarHBondContact OD2-CB 3.48Å; D769-T772 PolarHBondContact OD2-OG1 3.28Å; T772-E775 PolarHBondContact O-N 3.41Å; T772-R776 WeakPolarHBondContact O-CB 3.45Å; T772-R776 WeakPolarHBondContact O-CG 3.42Å; T772-R776 PolarHBondContact O-N 2.91Å
773	M	95.4	Very high	91.3	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68	-33.4	173.6	-70.9	-164.2	65.2	0	0	113.6	L736 M768 D769 K771 E775 L777 Y782 F788 D791 L792 V795	L736-M773 HydrophobicContact CD1-CB 4.28Å; L736-M773 HydrophobicContact CD2-CB 4.37Å; M768-M773 HydrophobicContact CG-CG 4.21Å; M768-M773 HydrophobicContact CG-SD 4.45Å; M768-M773 HydrophobicContact SD-CG 3.67Å; D769-M773 WeakPolarHBondContact O-CG 3.36Å; D769-M773 PolarHBondContact O-N 3.24Å; K771-M773 VanDerWaalsContact C-N 3.28Å; K771-M773 PolarHBondContact O-N 3.42Å; M773-E775 VanDerWaalsContact C-N 3.34Å; M773-L777 VanDerWaalsContact O-CB 3.32Å; M773-L777 WeakPolarHBondContact O-CB 3.26Å; M773-L777 PolarHBondContact O-N 2.89Å; M773-Y782 HydrophobicContact CE-CE2 4.35Å; M773-Y782 WeakPolarHBondContact CG-OH 3.26Å; M773-F788 HydrophobicContact CE-CD2 3.61Å; M773-F788 HydrophobicContact CE-CE2 3.65Å; M773-F788 HydrophobicContact CE-CG 4.1Å; M773-F788 HydrophobicContact CE-CZ 4.18Å; M773-F788 WeakPolarHBondContact CE-O 3.44Å; M773-D791 HydrophobicContact CE-CB 3.73Å; M773-D791 HydrophobicContact CG-CB 4.08Å; M773-D791 HydrophobicContact SD-CB 3.74Å; M773-L792 HydrophobicContact CE-CB 3.93Å; M773-L792 HydrophobicContact CE-CD1 3.94Å; M773-L792 VanDerWaalsContact SD-CA 3.58Å; M773-L792 HydrophobicContact SD-CB 3.89Å; M773-L792 HydrophobicContact SD-CD1 3.44Å; M773-L792 WeakPolarHBondContact SD-CD1 3.42Å; M773-L792 HydrophobicContact SD-CG 4.23Å; M773-L792 PolarHBondContact SD-N 2.92Å; M773-L792 VanDerWaalsContact SD-N 3.43Å; M773-V795 HydrophobicContact SD-CG2 4.32Å
774	S	94.7	Very high	91	Very high	34 Å²	34	69.9 Å²	69.9	24%	0.238	33%	0.326	C	S	.	.	H	α-helix	trans	-64.2	-41.5	174.8	-60.4	0	0	0	0	111.2	K740 L770 K771 K778	K740-S774 PolarHBondContact NZ-OG 3.15Å; L770-S774 WeakPolarHBondContact O-CB 3.26Å; L770-S774 PolarHBondContact O-N 3.01Å; L770-S774 PolarHBondContact O-OG 3.26Å; K771-S774 WeakPolarHBondContact O-CA 3.36Å; K771-S774 WeakPolarHBondContact O-CB 3.1Å; K771-S774 PolarHBondContact O-N 3.17Å; S774-K778 WeakPolarHBondContact O-CB 3.09Å; S774-K778 PolarHBondContact O-N 3.13Å
775	E	92.8	Very high	90.5	Very high	118 Å²	118	73 Å²	73	55%	0.551	34%	0.339	S	S	*	.	H	α-helix	trans	-68.5	-48.8	176.6	-180	169.8	-158.5	0	0	112.2	K771 T772 M773 L777 K778 N779	K771-E775 PolarHBondContact O-N 3.03Å; T772-E775 PolarHBondContact O-N 3.41Å; M773-E775 VanDerWaalsContact C-N 3.34Å; E775-L777 PolarHBondContact O-N 3.46Å; E775-K778 WeakPolarHBondContact O-CB 3.24Å; E775-K778 PolarHBondContact O-N 3.16Å; E775-K778 VanDerWaalsContact O-N 3.14Å; E775-N779 WeakPolarHBondContact O-CB 3.29Å; E775-N779 VanDerWaalsContact O-CG 3.29Å; E775-N779 PolarHBondContact O-N 3.48Å
776	R	93.4	Very high	90.3	Very high	75 Å²	75	69.9 Å²	69.9	28%	0.283	33%	0.332	S	S	.	.	H	α-helix	trans	-54.3	-42.2	174.4	-77	177	176.6	-148.2	-6.2	111.9	T772 N779 R780 Y781 Y782 D791	T772-R776 WeakPolarHBondContact O-CB 3.45Å; T772-R776 WeakPolarHBondContact O-CG 3.42Å; T772-R776 PolarHBondContact O-N 2.91Å; R776-N779 CarbonylContact O-C 3.56Å; R776-N779 PolarHBondContact O-N 3.09Å; R776-R780 PolarHBondContact O-N 2.62Å; R776-Y781 HydrophobicContact CB-CD1 4Å; R776-Y781 HydrophobicContact CB-CG 4.3Å; R776-Y781 HydrophobicContact CG-CD1 4.11Å; R776-Y781 HydrophobicContact CG-CG 4.38Å; R776-Y781 WeakPolarHBondContact O-CB 3.25Å; R776-Y781 PolarHBondContact O-N 3.3Å; R776-Y782 HydrophobicContact CB-CD2 4.46Å; R776-Y782 HydrophobicContact CB-CE2 3.62Å; R776-Y782 WeakPolarHBondContact CB-OH 3.31Å; R776-Y782 VanDerWaalsContact CD-OH 3.31Å; R776-Y782 WeakPolarHBondContact CD-OH 3.27Å; R776-D791 WeakPolarHBondContact CD-OD2 3.24Å; R776-D791 IonicContact CZ-OD2 3.32Å; R776-D791 IonicContact NE-OD2 3.2Å; R776-D791 VanDerWaalsContact NH1-CG 3.32Å; R776-D791 IonicContact NH1-OD1 2.8Å; R776-D791 PolarHBondContact NH1-OD1 3.42Å; R776-D791 IonicContact NH1-OD2 2.71Å; R776-D791 PolarHBondContact NH1-OD2 2.87Å
777	L	91.3	Very high	90.2	Very high	9 Å²	9	65.8 Å²	65.8	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-64.3	-49.6	176.1	-178.8	61.8	0	0	0	111.9	Y729 L732 K733 L736 M773 E775 N779 R780 Y782	Y729-L777 HydrophobicContact CD2-CD1 3.71Å; Y729-L777 HydrophobicContact CD2-CG 4.09Å; Y729-L777 HydrophobicContact CE2-CD1 4.08Å; Y729-L777 HydrophobicContact CE2-CG 3.93Å; Y729-L777 VanDerWaalsContact CE2-O 3.31Å; Y729-L777 WeakPolarHBondContact CE2-O 3.34Å; L732-L777 HydrophobicContact CB-CD1 3.84Å; L732-L777 HydrophobicContact CB-CD2 4.44Å; L732-L777 HydrophobicContact CD1-CD1 4.37Å; K733-L777 HydrophobicContact CB-CD2 3.95Å; L736-L777 HydrophobicContact CB-CD2 4.46Å; L736-L777 HydrophobicContact CD2-CD2 4.01Å; M773-L777 VanDerWaalsContact O-CB 3.32Å; M773-L777 WeakPolarHBondContact O-CB 3.26Å; M773-L777 PolarHBondContact O-N 2.89Å; E775-L777 PolarHBondContact O-N 3.46Å; L777-N779 PolarHBondContact O-N 3.49Å; L777-R780 PolarHBondContact O-N 2.97Å; L777-Y782 HydrophobicContact CB-CD2 3.78Å; L777-Y782 HydrophobicContact CB-CE2 3.98Å; L777-Y782 HydrophobicContact CD1-CD2 3.94Å; L777-Y782 HydrophobicContact CG-CD2 4.45Å
778	K	91.2	Very high	90.2	Very high	153 Å²	153	63.4 Å²	63.4	67%	0.665	30%	0.301	S	S	*	.	H	α-helix	trans	-54.5	-41.7	176.3	-175.9	-174.1	175.9	-170.4	0	111.5	S774 E775 R780	S774-K778 WeakPolarHBondContact O-CB 3.09Å; S774-K778 PolarHBondContact O-N 3.13Å; E775-K778 WeakPolarHBondContact O-CB 3.24Å; E775-K778 PolarHBondContact O-N 3.16Å; E775-K778 VanDerWaalsContact O-N 3.14Å; K778-R780 PolarHBondContact O-N 3.26Å
779	N	90	Very high	89.8	Confident	102 Å²	102	64.9 Å²	64.9	55%	0.545	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	17.5	-179.9	-60.4	-10.3	0	0	0	113.2	E775 R776 L777 Y781	E775-N779 WeakPolarHBondContact O-CB 3.29Å; E775-N779 VanDerWaalsContact O-CG 3.29Å; E775-N779 PolarHBondContact O-N 3.48Å; R776-N779 CarbonylContact O-C 3.56Å; R776-N779 PolarHBondContact O-N 3.09Å; L777-N779 PolarHBondContact O-N 3.49Å; N779-Y781 PolarHBondContact O-N 2.98Å
780	R	87.7	Confident	89.6	Confident	114 Å²	114	66.5 Å²	66.5	43%	0.43	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	17.4	176.6	-57.5	-63.8	-168.7	138.3	5	115.9	D726 R776 L777 K778 Y782	D726-R780 IonicContact OD1-CZ 2.7Å; D726-R780 IonicContact OD1-NH1 3.68Å; D726-R780 PolarHBondContact OD1-NH1 3.2Å; D726-R780 IonicContact OD1-NH2 3.48Å; D726-R780 PolarHBondContact OD1-NH2 3.11Å; R776-R780 PolarHBondContact O-N 2.62Å; L777-R780 PolarHBondContact O-N 2.97Å; K778-R780 PolarHBondContact O-N 3.26Å; R780-Y782 PolarHBondContact O-N 2.89Å
781	Y	86.9	Confident	89.4	Confident	110 Å²	110	66.8 Å²	66.8	43%	0.431	33%	0.325	S	S	.	.			trans	-58.4	-32.7	-179.4	178.5	-103.6	0	0	0	113.1	R776 N779 V783	R776-Y781 HydrophobicContact CB-CD1 4Å; R776-Y781 HydrophobicContact CB-CG 4.3Å; R776-Y781 HydrophobicContact CG-CD1 4.11Å; R776-Y781 HydrophobicContact CG-CG 4.38Å; R776-Y781 WeakPolarHBondContact O-CB 3.25Å; R776-Y781 PolarHBondContact O-N 3.3Å; N779-Y781 PolarHBondContact O-N 2.98Å; Y781-V783 PolarHBondContact O-N 3.22Å
782	Y	87.5	Confident	89.2	Confident	10 Å²	10	61.9 Å²	61.9	4%	0.039	30%	0.303	C	S	.	.			trans	-81.2	58.8	-178.6	-59.5	-54.3	0	0	0	113.6	M773 R776 L777 R780 S784 L787 F788 D791	M773-Y782 HydrophobicContact CE-CE2 4.35Å; M773-Y782 WeakPolarHBondContact CG-OH 3.26Å; R776-Y782 HydrophobicContact CB-CD2 4.46Å; R776-Y782 HydrophobicContact CB-CE2 3.62Å; R776-Y782 WeakPolarHBondContact CB-OH 3.31Å; R776-Y782 VanDerWaalsContact CD-OH 3.31Å; R776-Y782 WeakPolarHBondContact CD-OH 3.27Å; L777-Y782 HydrophobicContact CB-CD2 3.78Å; L777-Y782 HydrophobicContact CB-CE2 3.98Å; L777-Y782 HydrophobicContact CD1-CD2 3.94Å; L777-Y782 HydrophobicContact CG-CD2 4.45Å; R780-Y782 PolarHBondContact O-N 2.89Å; Y782-S784 PolarHBondContact O-N 3.17Å; Y782-L787 HydrophobicContact CD1-CB 3.76Å; Y782-L787 HydrophobicContact CE1-CB 4.37Å; Y782-F788 HydrophobicContact CD1-CB 3.88Å; Y782-F788 VanDerWaalsContact CD1-N 3.32Å; Y782-F788 HydrophobicContact CD2-CB 4.43Å; Y782-F788 AromaticContact CD2-CD2 3.76Å; Y782-F788 HydrophobicContact CD2-CD2 3.76Å; Y782-F788 HydrophobicContact CE1-CB 4.32Å; Y782-F788 AromaticContact CE2-CD2 3.85Å; Y782-F788 HydrophobicContact CE2-CD2 3.85Å; Y782-F788 HydrophobicContact CG-CB 3.96Å; Y782-F788 HydrophobicContact CG-CD2 4.15Å; Y782-D791 HydrophobicContact CE1-CB 4.25Å; Y782-D791 VanDerWaalsContact CE1-OD2 3.24Å; Y782-D791 WeakPolarHBondContact CE1-OD2 3.37Å; Y782-D791 PolarHBondContact OH-OD2 3.19Å
783	V	82.2	Confident	89.2	Confident	119 Å²	119	64.4 Å²	64.4	72%	0.721	31%	0.313	S	S	*	.	S	Bend	trans	-61.6	-6.8	173.4	-60.6	0	0	0	0	114.2	Y781 L787	Y781-V783 PolarHBondContact O-N 3.22Å; V783-L787 HydrophobicContact CG2-CD1 3.8Å
784	S	81.9	Confident	89.1	Confident	42 Å²	42	67.7 Å²	67.7	29%	0.294	33%	0.325	S	S	.	.	S	Bend	trans	-149	153.1	165.6	77.5	0	0	0	0	112.3	Y782 K786 L787	Y782-S784 PolarHBondContact O-N 3.17Å; S784-K786 PolarHBondContact O-N 2.65Å; S784-K786 VanDerWaalsContact O-N 3.09Å; S784-L787 PolarHBondContact O-N 2.78Å; S784-L787 VanDerWaalsContact O-N 3.13Å
785	K	82.6	Confident	89.1	Confident	67 Å²	67	66.3 Å²	66.3	29%	0.291	32%	0.315	S	S	.	.	H	α-helix	trans	-51.5	-31.7	174.1	63.7	179.4	-175.7	171.7	0	113.7	L787 F788 M789 L829	K785-L787 PolarHBondContact O-N 3.5Å; K785-F788 PolarHBondContact O-N 2.68Å; K785-M789 VanDerWaalsContact O-CG 3.28Å; K785-M789 WeakPolarHBondContact O-CG 3.46Å; K785-M789 PolarHBondContact O-N 3.25Å; K785-L829 HydrophobicContact CB-CD2 4.2Å; K785-L829 HydrophobicContact CD-CB 4.16Å; K785-L829 HydrophobicContact CD-CD2 3.89Å; K785-L829 WeakPolarHBondContact CD-O 3.41Å; K785-L829 WeakPolarHBondContact CE-O 3.47Å; K785-L829 PolarHBondContact NZ-O 3.09Å
786	K	84.9	Confident	89.2	Confident	154 Å²	154	60.7 Å²	60.7	67%	0.67	29%	0.289	S	S	*	.	H	α-helix	trans	-65.6	-36.6	-178.6	-63.8	-175.1	179.8	-179.1	0	112.7	S784 A790	S784-K786 PolarHBondContact O-N 2.65Å; S784-K786 VanDerWaalsContact O-N 3.09Å; K786-A790 WeakPolarHBondContact O-CB 3.49Å; K786-A790 PolarHBondContact O-N 3.34Å
787	L	87	Confident	89.3	Confident	62 Å²	62	60.3 Å²	60.3	33%	0.325	30%	0.295	S	S	.	.	H	α-helix	trans	-68.8	-43.1	178.9	-65.9	172.1	0	0	0	111.2	Y782 V783 S784 K785 A790 D791	Y782-L787 HydrophobicContact CD1-CB 3.76Å; Y782-L787 HydrophobicContact CE1-CB 4.37Å; V783-L787 HydrophobicContact CG2-CD1 3.8Å; S784-L787 PolarHBondContact O-N 2.78Å; S784-L787 VanDerWaalsContact O-N 3.13Å; K785-L787 PolarHBondContact O-N 3.5Å; L787-A790 PolarHBondContact O-N 2.97Å; L787-D791 PolarHBondContact O-N 2.69Å; L787-D791 VanDerWaalsContact O-N 3.1Å
788	F	89.3	Confident	89.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-44	176	-178	-93	0	0	0	111.7	L732 I735 L736 M773 Y782 K785 A790 D791 L792 F820	L732-F788 HydrophobicContact CB-CD2 4.33Å; L732-F788 HydrophobicContact CB-CE2 4.41Å; L732-F788 HydrophobicContact CD1-CB 4.05Å; L732-F788 HydrophobicContact CD1-CD2 4.38Å; L732-F788 HydrophobicContact CD1-CG 4.27Å; L732-F788 HydrophobicContact CD2-CB 4.07Å; L732-F788 HydrophobicContact CD2-CD1 3.78Å; L732-F788 HydrophobicContact CD2-CD2 4.34Å; L732-F788 HydrophobicContact CD2-CE1 4.28Å; L732-F788 HydrophobicContact CD2-CG 3.81Å; L732-F788 HydrophobicContact CG-CG 4.45Å; I735-F788 HydrophobicContact CG2-CE1 4.04Å; I735-F788 HydrophobicContact CG2-CZ 4.35Å; L736-F788 HydrophobicContact CB-CE2 4.01Å; L736-F788 HydrophobicContact CB-CZ 3.9Å; L736-F788 HydrophobicContact CD1-CE2 4.24Å; L736-F788 HydrophobicContact CD1-CZ 4.2Å; L736-F788 HydrophobicContact CD2-CE2 4.36Å; L736-F788 HydrophobicContact CG-CE2 4.43Å; M773-F788 HydrophobicContact CE-CD2 3.61Å; M773-F788 HydrophobicContact CE-CE2 3.65Å; M773-F788 HydrophobicContact CE-CG 4.1Å; M773-F788 HydrophobicContact CE-CZ 4.18Å; M773-F788 WeakPolarHBondContact CE-O 3.44Å; Y782-F788 HydrophobicContact CD1-CB 3.88Å; Y782-F788 VanDerWaalsContact CD1-N 3.32Å; Y782-F788 HydrophobicContact CD2-CB 4.43Å; Y782-F788 AromaticContact CD2-CD2 3.76Å; Y782-F788 HydrophobicContact CD2-CD2 3.76Å; Y782-F788 HydrophobicContact CE1-CB 4.32Å; Y782-F788 AromaticContact CE2-CD2 3.85Å; Y782-F788 HydrophobicContact CE2-CD2 3.85Å; Y782-F788 HydrophobicContact CG-CB 3.96Å; Y782-F788 HydrophobicContact CG-CD2 4.15Å; K785-F788 PolarHBondContact O-N 2.68Å; F788-A790 PolarHBondContact O-N 3.47Å; F788-D791 PolarHBondContact O-N 2.95Å; F788-L792 PolarHBondContact O-N 3.44Å; F788-F820 HydrophobicContact CE1-CE2 4.19Å
789	M	89.5	Confident	89.6	Confident	43 Å²	43	53.3 Å²	53.3	21%	0.212	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-45	174.5	-73.4	170	57.9	0	0	112.6	K785 D791 L792 Q793 F820 I824 I830	K785-M789 VanDerWaalsContact O-CG 3.28Å; K785-M789 WeakPolarHBondContact O-CG 3.46Å; K785-M789 PolarHBondContact O-N 3.25Å; M789-D791 PolarHBondContact O-N 2.95Å; M789-L792 PolarHBondContact O-N 3.01Å; M789-Q793 VanDerWaalsContact O-CB 3.3Å; M789-Q793 WeakPolarHBondContact O-CB 3.35Å; M789-Q793 PolarHBondContact O-N 2.87Å; M789-F820 HydrophobicContact CG-CZ 4.26Å; M789-I824 HydrophobicContact CG-CD1 3.39Å; M789-I824 HydrophobicContact SD-CD1 4.06Å; M789-I830 HydrophobicContact CE-CD1 3.59Å; M789-I830 HydrophobicContact CE-CG1 3.94Å; M789-I830 HydrophobicContact SD-CD1 4.36Å; M789-I830 HydrophobicContact SD-CG1 4.25Å
790	A	90.4	Very high	89.8	Confident	44 Å²	44	50.8 Å²	50.8	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-66.9	-34.3	-178.3	0	0	0	0	0	113	K786 L787 F788 R794	K786-A790 WeakPolarHBondContact O-CB 3.49Å; K786-A790 PolarHBondContact O-N 3.34Å; L787-A790 PolarHBondContact O-N 2.97Å; F788-A790 PolarHBondContact O-N 3.47Å; A790-R794 WeakPolarHBondContact O-CB 3.27Å; A790-R794 PolarHBondContact O-N 3.42Å; A790-R794 PolarHBondContact O-NH2 3.39Å
791	D	92.2	Very high	90.1	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.027	26%	0.256	C	S	.	.	H	α-helix	trans	-71.7	-46.6	173.4	-80.2	-6.5	0	0	0	111.6	M768 M773 R776 Y782 L787 F788 M789 Q793 R794 V795	M768-D791 HydrophobicContact CG-CB 4.13Å; M768-D791 WeakPolarHBondContact CG-O 3.25Å; M768-D791 HydrophobicContact SD-CB 4.2Å; M773-D791 HydrophobicContact CE-CB 3.73Å; M773-D791 HydrophobicContact CG-CB 4.08Å; M773-D791 HydrophobicContact SD-CB 3.74Å; R776-D791 WeakPolarHBondContact CD-OD2 3.24Å; R776-D791 IonicContact CZ-OD2 3.32Å; R776-D791 IonicContact NE-OD2 3.2Å; R776-D791 VanDerWaalsContact NH1-CG 3.32Å; R776-D791 IonicContact NH1-OD1 2.8Å; R776-D791 PolarHBondContact NH1-OD1 3.42Å; R776-D791 IonicContact NH1-OD2 2.71Å; R776-D791 PolarHBondContact NH1-OD2 2.87Å; Y782-D791 HydrophobicContact CE1-CB 4.25Å; Y782-D791 VanDerWaalsContact CE1-OD2 3.24Å; Y782-D791 WeakPolarHBondContact CE1-OD2 3.37Å; Y782-D791 PolarHBondContact OH-OD2 3.19Å; L787-D791 PolarHBondContact O-N 2.69Å; L787-D791 VanDerWaalsContact O-N 3.1Å; F788-D791 PolarHBondContact O-N 2.95Å; M789-D791 PolarHBondContact O-N 2.95Å; D791-Q793 PolarHBondContact O-N 2.62Å; D791-R794 WeakPolarHBondContact O-CB 3.43Å; D791-R794 PolarHBondContact O-N 3.41Å; D791-R794 VanDerWaalsContact O-N 3.11Å; D791-R794 IonicContact OD1-CZ 3.98Å; D791-R794 IonicContact OD1-NH1 2.67Å; D791-R794 PolarHBondContact OD1-NH1 3.24Å; D791-R794 IonicContact OD1-NH2 3.14Å; D791-R794 PolarHBondContact OD1-NH2 3.3Å; D791-V795 PolarHBondContact O-N 2.9Å
792	L	89	Confident	90.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68	-38.3	-178.4	-153.9	84.9	0	0	0	112.4	L736 V739 L770 M773 F788 M789 R794 V795 F796 F820	L736-L792 HydrophobicContact CD1-CD1 4.39Å; V739-L792 HydrophobicContact CG1-CD1 4.4Å; V739-L792 HydrophobicContact CG1-CD2 4.35Å; V739-L792 HydrophobicContact CG2-CD2 4.39Å; L770-L792 HydrophobicContact CD2-CD1 3.37Å; M773-L792 HydrophobicContact CE-CB 3.93Å; M773-L792 HydrophobicContact CE-CD1 3.94Å; M773-L792 VanDerWaalsContact SD-CA 3.58Å; M773-L792 HydrophobicContact SD-CB 3.89Å; M773-L792 HydrophobicContact SD-CD1 3.44Å; M773-L792 WeakPolarHBondContact SD-CD1 3.42Å; M773-L792 HydrophobicContact SD-CG 4.23Å; M773-L792 PolarHBondContact SD-N 2.92Å; M773-L792 VanDerWaalsContact SD-N 3.43Å; F788-L792 PolarHBondContact O-N 3.44Å; M789-L792 PolarHBondContact O-N 3.01Å; L792-R794 PolarHBondContact O-N 3.14Å; L792-V795 VanDerWaalsContact O-CB 3.31Å; L792-V795 WeakPolarHBondContact O-CB 3.31Å; L792-V795 PolarHBondContact O-N 3.43Å; L792-F796 HydrophobicContact CD2-CE2 3.92Å; L792-F796 HydrophobicContact CD2-CZ 4.17Å; L792-F796 HydrophobicContact CG-CE2 3.98Å; L792-F796 HydrophobicContact CG-CZ 4.23Å; L792-F796 VanDerWaalsContact O-CD2 3.29Å; L792-F796 WeakPolarHBondContact O-CD2 3.45Å; L792-F820 HydrophobicContact CB-CE2 4.31Å; L792-F820 HydrophobicContact CB-CZ 4.14Å; L792-F820 HydrophobicContact CD2-CB 3.89Å; L792-F820 HydrophobicContact CD2-CD1 3.83Å; L792-F820 HydrophobicContact CD2-CD2 3.11Å; L792-F820 HydrophobicContact CD2-CE1 4.04Å; L792-F820 HydrophobicContact CD2-CE2 3.35Å; L792-F820 HydrophobicContact CD2-CG 3.33Å; L792-F820 HydrophobicContact CD2-CZ 3.8Å; L792-F820 HydrophobicContact CG-CE2 4.46Å
793	Q	92.6	Very high	90.6	Very high	92 Å²	92	50.2 Å²	50.2	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-61.2	-34.9	173.7	-170.4	174	15.7	0	0	111.2	M789 D791 V795 F796 T797	M789-Q793 VanDerWaalsContact O-CB 3.3Å; M789-Q793 WeakPolarHBondContact O-CB 3.35Å; M789-Q793 PolarHBondContact O-N 2.87Å; D791-Q793 PolarHBondContact O-N 2.62Å; Q793-V795 VanDerWaalsContact C-N 3.34Å; Q793-V795 PolarHBondContact O-N 2.74Å; Q793-F796 PolarHBondContact O-N 3.1Å; Q793-F796 VanDerWaalsContact O-N 3.16Å; Q793-T797 PolarHBondContact O-N 2.71Å; Q793-T797 PolarHBondContact O-OG1 3.14Å; Q793-T797 VanDerWaalsContact O-OG1 3.13Å
794	R	94.9	Very high	90.9	Very high	69 Å²	69	48.2 Å²	48.2	26%	0.26	24%	0.244	S	C	.	.	H	α-helix	trans	-65.6	-34.2	177.1	-160.8	178.8	-49.2	103.4	10.8	112.9	F766 M768 A790 D791 L792 F796 T797 N798	F766-R794 WeakPolarHBondContact O-CD 3.43Å; M768-R794 HydrophobicContact CB-CB 4.32Å; M768-R794 HydrophobicContact CB-CG 4.48Å; A790-R794 WeakPolarHBondContact O-CB 3.27Å; A790-R794 PolarHBondContact O-N 3.42Å; A790-R794 PolarHBondContact O-NH2 3.39Å; D791-R794 WeakPolarHBondContact O-CB 3.43Å; D791-R794 PolarHBondContact O-N 3.41Å; D791-R794 VanDerWaalsContact O-N 3.11Å; D791-R794 IonicContact OD1-CZ 3.98Å; D791-R794 IonicContact OD1-NH1 2.67Å; D791-R794 PolarHBondContact OD1-NH1 3.24Å; D791-R794 IonicContact OD1-NH2 3.14Å; D791-R794 PolarHBondContact OD1-NH2 3.3Å; L792-R794 PolarHBondContact O-N 3.14Å; R794-F796 VanDerWaalsContact C-N 3.27Å; R794-F796 PolarHBondContact O-N 3.34Å; R794-T797 PolarHBondContact O-N 2.71Å; R794-N798 WeakPolarHBondContact CG-OD1 3.35Å; R794-N798 VanDerWaalsContact O-CB 3.22Å; R794-N798 WeakPolarHBondContact O-CB 3.22Å; R794-N798 PolarHBondContact O-N 3.05Å; R794-N798 PolarHBondContact O-ND2 3.37Å; R794-N798 PolarHBondContact O-OD1 3.25Å
795	V	94.1	Very high	91.3	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-53.1	-48.1	171	-177.5	0	0	0	0	110.3	F748 M768 M773 D791 L792 Q793 C799	F748-V795 HydrophobicContact CB-CG1 3.69Å; F748-V795 HydrophobicContact CD1-CG1 3.48Å; F748-V795 VanDerWaalsContact CD1-CG1 3.48Å; F748-V795 HydrophobicContact CE1-CG1 4.31Å; F748-V795 HydrophobicContact CG-CG1 3.65Å; M768-V795 HydrophobicContact CB-CG2 4.18Å; M768-V795 HydrophobicContact CG-CG2 3.83Å; M773-V795 HydrophobicContact SD-CG2 4.32Å; D791-V795 PolarHBondContact O-N 2.9Å; L792-V795 VanDerWaalsContact O-CB 3.31Å; L792-V795 WeakPolarHBondContact O-CB 3.31Å; L792-V795 PolarHBondContact O-N 3.43Å; Q793-V795 VanDerWaalsContact C-N 3.34Å; Q793-V795 PolarHBondContact O-N 2.74Å; V795-C799 WeakPolarHBondContact O-CB 3.34Å; V795-C799 PolarHBondContact O-N 3.11Å
796	F	94.4	Very high	91.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-74.3	-42.2	-178.7	-52.8	-48.8	0	0	0	112.9	F748 L792 Q793 R794 C799 K800 A813 L816 E817 F820	F748-F796 HydrophobicContact CE2-CE1 4.44Å; L792-F796 HydrophobicContact CD2-CE2 3.92Å; L792-F796 HydrophobicContact CD2-CZ 4.17Å; L792-F796 HydrophobicContact CG-CE2 3.98Å; L792-F796 HydrophobicContact CG-CZ 4.23Å; L792-F796 VanDerWaalsContact O-CD2 3.29Å; L792-F796 WeakPolarHBondContact O-CD2 3.45Å; Q793-F796 PolarHBondContact O-N 3.1Å; Q793-F796 VanDerWaalsContact O-N 3.16Å; R794-F796 VanDerWaalsContact C-N 3.27Å; R794-F796 PolarHBondContact O-N 3.34Å; F796-C799 PolarHBondContact O-N 3.32Å; F796-K800 VanDerWaalsContact O-CG 3.27Å; F796-K800 WeakPolarHBondContact O-CG 3.16Å; F796-K800 PolarHBondContact O-N 3.31Å; F796-A813 HydrophobicContact CB-CB 4.49Å; F796-A813 HydrophobicContact CD1-CB 4.13Å; F796-L816 HydrophobicContact CE1-CB 3.74Å; F796-L816 HydrophobicContact CE1-CD2 3.81Å; F796-L816 HydrophobicContact CE1-CG 3.91Å; F796-L816 HydrophobicContact CZ-CB 4.03Å; F796-L816 HydrophobicContact CZ-CD2 4.04Å; F796-L816 HydrophobicContact CZ-CG 3.88Å; F796-E817 HydrophobicContact CB-CB 4.42Å; F796-E817 HydrophobicContact CD1-CB 4.38Å; F796-E817 HydrophobicContact CD2-CB 3.61Å; F796-E817 HydrophobicContact CD2-CG 3.83Å; F796-E817 HydrophobicContact CE2-CB 3.93Å; F796-E817 HydrophobicContact CE2-CG 4.34Å; F796-E817 HydrophobicContact CG-CB 3.87Å; F796-E817 HydrophobicContact CG-CG 4.36Å; F796-E817 HydrophobicContact CZ-CB 4.45Å; F796-F820 HydrophobicContact CE2-CB 4.44Å; F796-F820 HydrophobicContact CE2-CD1 4.24Å
797	T	94.9	Very high	92.1	Very high	67 Å²	67	46.6 Å²	46.6	41%	0.411	24%	0.244	S	C	.	.	H	α-helix	trans	-61.4	-49.1	177	-55.5	0	0	0	0	111.4	Q793 R794 C799 K800 E801	Q793-T797 PolarHBondContact O-N 2.71Å; Q793-T797 PolarHBondContact O-OG1 3.14Å; Q793-T797 VanDerWaalsContact O-OG1 3.13Å; R794-T797 PolarHBondContact O-N 2.71Å; T797-C799 VanDerWaalsContact C-N 3.3Å; T797-C799 PolarHBondContact O-N 2.97Å; T797-K800 CarbonylContact O-C 3.57Å; T797-K800 PolarHBondContact O-N 3.47Å; T797-K800 VanDerWaalsContact O-N 3.11Å; T797-E801 WeakPolarHBondContact O-CB 3.35Å; T797-E801 PolarHBondContact O-N 2.85Å
798	N	95.1	Very high	92.3	Very high	9 Å²	9	48.9 Å²	48.9	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-57.4	-43.9	178.4	-68.8	-4.8	0	0	0	111.8	I764 F766 R794 K800 E801 Y802	I764-N798 HydrophobicContact CD1-CB 4.29Å; I764-N798 WeakPolarHBondContact CD1-O 3.31Å; I764-N798 HydrophobicContact CG1-CB 4.49Å; I764-N798 HydrophobicContact CG2-CB 3.78Å; I764-N798 WeakPolarHBondContact CG2-ND2 3.46Å; F766-N798 PolarHBondContact O-ND2 3.08Å; R794-N798 WeakPolarHBondContact CG-OD1 3.35Å; R794-N798 VanDerWaalsContact O-CB 3.22Å; R794-N798 WeakPolarHBondContact O-CB 3.22Å; R794-N798 PolarHBondContact O-N 3.05Å; R794-N798 PolarHBondContact O-ND2 3.37Å; R794-N798 PolarHBondContact O-OD1 3.25Å; N798-K800 VanDerWaalsContact C-N 3.35Å; N798-K800 PolarHBondContact O-N 3.11Å; N798-E801 PolarHBondContact O-N 3.32Å; N798-Y802 PolarHBondContact O-N 2.88Å; N798-Y802 VanDerWaalsContact O-N 3.09Å
799	C	94	Very high	92.4	Very high	7 Å²	7	53.9 Å²	53.9	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-43	177.7	-179.6	0	0	0	0	111.8	F748 V795 F796 T797 E801 N803 Y809 A813	F748-C799 HydrophobicContact CE1-CB 3.79Å; F748-C799 HydrophobicContact CZ-CB 4.46Å; V795-C799 WeakPolarHBondContact O-CB 3.34Å; V795-C799 PolarHBondContact O-N 3.11Å; F796-C799 PolarHBondContact O-N 3.32Å; T797-C799 VanDerWaalsContact C-N 3.3Å; T797-C799 PolarHBondContact O-N 2.97Å; C799-E801 VanDerWaalsContact C-N 3.34Å; C799-N803 VanDerWaalsContact O-CB 3.31Å; C799-N803 WeakPolarHBondContact O-CB 3.22Å; C799-N803 PolarHBondContact O-N 3.35Å; C799-N803 PolarHBondContact O-ND2 3.09Å; C799-Y809 PolarHBondContact SG-O 2.89Å; C799-A813 HydrophobicContact CB-CB 4.16Å
800	K	94.1	Very high	92.6	Very high	49 Å²	49	54.4 Å²	54.4	21%	0.213	27%	0.272	C	S	.	.	H	α-helix	trans	-76.7	-16.5	179.1	-65.1	-180	-159.1	-171.7	0	114.5	F796 T797 N798 Y810 A813 N814 E817	F796-K800 VanDerWaalsContact O-CG 3.27Å; F796-K800 WeakPolarHBondContact O-CG 3.16Å; F796-K800 PolarHBondContact O-N 3.31Å; T797-K800 CarbonylContact O-C 3.57Å; T797-K800 PolarHBondContact O-N 3.47Å; T797-K800 VanDerWaalsContact O-N 3.11Å; N798-K800 VanDerWaalsContact C-N 3.35Å; N798-K800 PolarHBondContact O-N 3.11Å; K800-Y810 HydrophobicContact CB-CD2 3.86Å; K800-Y810 HydrophobicContact CB-CE2 3.42Å; K800-Y810 VanDerWaalsContact CB-CE2 3.42Å; K800-Y810 HydrophobicContact CD-CE1 4.29Å; K800-Y810 HydrophobicContact CD-CE2 4.29Å; K800-Y810 HydrophobicContact CG-CD1 4.4Å; K800-Y810 HydrophobicContact CG-CD2 3.77Å; K800-Y810 HydrophobicContact CG-CE1 4.22Å; K800-Y810 HydrophobicContact CG-CE2 3.59Å; K800-Y810 HydrophobicContact CG-CG 4.17Å; K800-Y810 WeakPolarHBondContact O-CE2 3.32Å; K800-A813 HydrophobicContact CG-CB 4.21Å; K800-N814 VanDerWaalsContact CE-OD1 3.24Å; K800-N814 WeakPolarHBondContact CE-OD1 3.35Å; K800-N814 PolarHBondContact NZ-OD1 3.35Å; K800-E817 IonicContact NZ-OE2 3.69Å; K800-E817 PolarHBondContact NZ-OE2 3.04Å
801	E	94.1	Very high	92.7	Very high	123 Å²	123	56.3 Å²	56.3	58%	0.575	27%	0.272	S	S	*	.	H	α-helix	trans	-86	-33.7	175.8	-177.4	169.6	-161.7	0	0	111.6	I764 T797 N798 C799	I764-E801 HydrophobicContact CD1-CB 3.87Å; I764-E801 HydrophobicContact CD1-CG 3.87Å; T797-E801 WeakPolarHBondContact O-CB 3.35Å; T797-E801 PolarHBondContact O-N 2.85Å; N798-E801 PolarHBondContact O-N 3.32Å; C799-E801 VanDerWaalsContact C-N 3.34Å
802	Y	92.8	Very high	92.8	Very high	68 Å²	68	56.6 Å²	56.6	27%	0.267	27%	0.274	S	S	.	.	H	α-helix	trans	-90.1	-36.7	177.6	-178.5	-98.5	0	0	0	114.4	A757 P758 Y760 V763 N798	A757-Y802 VanDerWaalsContact C-OH 3.31Å; A757-Y802 HydrophobicContact CB-CE1 3.91Å; P758-Y802 PolarHBondContact O-OH 3.33Å; Y760-Y802 AromaticContact CD2-CD1 3.72Å; Y760-Y802 HydrophobicContact CD2-CD1 3.72Å; Y760-Y802 AromaticContact CD2-CD2 3.72Å; Y760-Y802 HydrophobicContact CD2-CD2 3.72Å; Y760-Y802 HydrophobicContact CD2-CE1 4.05Å; Y760-Y802 HydrophobicContact CD2-CE2 4.06Å; Y760-Y802 AromaticContact CD2-CG 3.54Å; Y760-Y802 HydrophobicContact CD2-CG 3.54Å; Y760-Y802 HydrophobicContact CE2-CD1 4.24Å; Y760-Y802 HydrophobicContact CE2-CG 4.03Å; Y760-Y802 HydrophobicContact CG-CD2 4.48Å; V763-Y802 HydrophobicContact CB-CD2 4.36Å; V763-Y802 HydrophobicContact CG2-CD2 4.41Å; N798-Y802 PolarHBondContact O-N 2.88Å; N798-Y802 VanDerWaalsContact O-N 3.09Å
803	N	91.7	Very high	93	Very high	30 Å²	30	56.6 Å²	56.6	16%	0.16	27%	0.274	C	S	.	.	S	Bend	trans	-100.1	145.6	-174.6	-59	-91	0	0	0	112	C799 S807 Y809 Y810	C799-N803 VanDerWaalsContact O-CB 3.31Å; C799-N803 WeakPolarHBondContact O-CB 3.22Å; C799-N803 PolarHBondContact O-N 3.35Å; C799-N803 PolarHBondContact O-ND2 3.09Å; N803-S807 WeakPolarHBondContact CB-OG 3.35Å; N803-Y809 WeakPolarHBondContact OD1-CD2 3.33Å; N803-Y810 WeakPolarHBondContact O-CD2 3.49Å
804	P	89.9	Confident	93	Very high	77 Å²	77	54.7 Å²	54.7	50%	0.5	27%	0.267	S	S	.	.			trans	-70.5	153.6	175.2	29.9	-35.1	0	0	0	112.2	E806 S807 Y810	P804-E806 PolarHBondContact O-N 3.42Å; P804-E806 VanDerWaalsContact O-N 3.09Å; P804-S807 WeakPolarHBondContact O-CB 3.37Å; P804-S807 PolarHBondContact O-N 2.83Å; P804-S807 VanDerWaalsContact O-N 3.08Å; P804-S807 PolarHBondContact O-OG 3.11Å; P804-Y810 WeakPolarHBondContact O-CB 3.41Å
805	P	89.8	Confident	93	Very high	72 Å²	72	55.2 Å²	55.2	47%	0.468	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-29.2	-176.1	-27.4	35.7	0	0	0	115.9	S807 Y810	P805-S807 VanDerWaalsContact C-N 3.3Å; P805-S807 PolarHBondContact O-N 3.29Å; P805-Y810 HydrophobicContact CB-CD1 4.31Å; P805-Y810 HydrophobicContact CB-CE1 4.19Å; P805-Y810 HydrophobicContact CB-CE2 4.47Å; P805-Y810 HydrophobicContact CG-CE2 4.27Å
806	E	90.1	Very high	92.9	Very high	136 Å²	136	55 Å²	55	64%	0.636	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.2	-176.1	-60.9	65.7	-140.9	0	0	112.5	P804 K811	P804-E806 PolarHBondContact O-N 3.42Å; P804-E806 VanDerWaalsContact O-N 3.09Å; E806-K811 VanDerWaalsContact O-CE 3.24Å; E806-K811 WeakPolarHBondContact O-CE 3.47Å; E806-K811 PolarHBondContact O-NZ 3Å
807	S	93.4	Very high	92.9	Very high	22 Å²	22	56.6 Å²	56.6	15%	0.154	28%	0.281	C	S	.	.	S	Bend	trans	-70.2	149.3	-175.4	67.1	0	0	0	0	113.5	N803 P804 P805 Y809 Y810 K811	N803-S807 WeakPolarHBondContact CB-OG 3.35Å; P804-S807 WeakPolarHBondContact O-CB 3.37Å; P804-S807 PolarHBondContact O-N 2.83Å; P804-S807 VanDerWaalsContact O-N 3.08Å; P804-S807 PolarHBondContact O-OG 3.11Å; P805-S807 VanDerWaalsContact C-N 3.3Å; P805-S807 PolarHBondContact O-N 3.29Å; S807-Y809 PolarHBondContact O-N 3.25Å; S807-Y810 PolarHBondContact O-N 2.95Å; S807-Y810 VanDerWaalsContact O-N 3.17Å; S807-Y810 VanDerWaalsContact OG-CB 3.32Å; S807-Y810 WeakPolarHBondContact OG-CB 3.5Å; S807-Y810 PolarHBondContact OG-N 2.62Å; S807-Y810 VanDerWaalsContact OG-N 3.14Å; S807-K811 WeakPolarHBondContact O-CG 3.29Å; S807-K811 PolarHBondContact O-N 3.04Å
808	E	91.3	Very high	92.7	Very high	110 Å²	110	60.9 Å²	60.9	51%	0.514	29%	0.294	S	S	.	.	H	α-helix	trans	-60.3	-29.2	172.5	-66	-50.3	129.1	0	0	112.7	K811 C812	E808-K811 VanDerWaalsContact OE1-CD 3.25Å; E808-K811 WeakPolarHBondContact OE1-CD 3.23Å; E808-K811 IonicContact OE1-NZ 3.51Å; E808-K811 PolarHBondContact OE1-NZ 3.38Å; E808-C812 VanDerWaalsContact O-CB 3.27Å; E808-C812 WeakPolarHBondContact O-CB 3.35Å; E808-C812 PolarHBondContact O-N 3.3Å; E808-C812 PolarHBondContact O-SG 2.88Å
809	Y	91.8	Very high	92.6	Very high	104 Å²	104	63.2 Å²	63.2	41%	0.408	30%	0.303	S	S	.	.	H	α-helix	trans	-63	-49.3	172.8	-59.3	-59.5	0	0	0	112.2	W746 P747 C799 N803 S807 C812 A813	W746-Y809 HydrophobicContact CH2-CD1 4.2Å; W746-Y809 AromaticContact CH2-CE1 3.41Å; W746-Y809 HydrophobicContact CH2-CE1 3.41Å; W746-Y809 VanDerWaalsContact CH2-CE1 3.41Å; W746-Y809 HydrophobicContact CZ2-CE1 4.28Å; W746-Y809 AromaticContact CZ3-CE1 3.76Å; W746-Y809 HydrophobicContact CZ3-CE1 3.76Å; P747-Y809 HydrophobicContact CB-CD1 3.71Å; P747-Y809 HydrophobicContact CB-CE1 4.05Å; P747-Y809 HydrophobicContact CG-CD1 3.89Å; P747-Y809 HydrophobicContact CG-CE1 4.3Å; C799-Y809 PolarHBondContact SG-O 2.89Å; N803-Y809 WeakPolarHBondContact OD1-CD2 3.33Å; S807-Y809 PolarHBondContact O-N 3.25Å; Y809-C812 PolarHBondContact O-N 3.44Å; Y809-A813 PolarHBondContact O-N 3.22Å
810	Y	94.1	Very high	92.3	Very high	55 Å²	55	63 Å²	63	22%	0.216	30%	0.301	C	S	.	.	H	α-helix	trans	-66.2	-39	178.5	-160.9	-76.6	0	0	0	111.9	K800 N803 P804 P805 S807 A813 N814	K800-Y810 HydrophobicContact CB-CD2 3.86Å; K800-Y810 HydrophobicContact CB-CE2 3.42Å; K800-Y810 VanDerWaalsContact CB-CE2 3.42Å; K800-Y810 HydrophobicContact CD-CE1 4.29Å; K800-Y810 HydrophobicContact CD-CE2 4.29Å; K800-Y810 HydrophobicContact CG-CD1 4.4Å; K800-Y810 HydrophobicContact CG-CD2 3.77Å; K800-Y810 HydrophobicContact CG-CE1 4.22Å; K800-Y810 HydrophobicContact CG-CE2 3.59Å; K800-Y810 HydrophobicContact CG-CG 4.17Å; K800-Y810 WeakPolarHBondContact O-CE2 3.32Å; N803-Y810 WeakPolarHBondContact O-CD2 3.49Å; P804-Y810 WeakPolarHBondContact O-CB 3.41Å; P805-Y810 HydrophobicContact CB-CD1 4.31Å; P805-Y810 HydrophobicContact CB-CE1 4.19Å; P805-Y810 HydrophobicContact CB-CE2 4.47Å; P805-Y810 HydrophobicContact CG-CE2 4.27Å; S807-Y810 PolarHBondContact O-N 2.95Å; S807-Y810 VanDerWaalsContact O-N 3.17Å; S807-Y810 VanDerWaalsContact OG-CB 3.32Å; S807-Y810 WeakPolarHBondContact OG-CB 3.5Å; S807-Y810 PolarHBondContact OG-N 2.62Å; S807-Y810 VanDerWaalsContact OG-N 3.14Å; Y810-A813 PolarHBondContact O-N 3.38Å; Y810-N814 WeakPolarHBondContact CD1-ND2 3.45Å; Y810-N814 VanDerWaalsContact CE1-ND2 3.28Å; Y810-N814 WeakPolarHBondContact CE1-ND2 3.44Å; Y810-N814 PolarHBondContact O-N 3.48Å; Y810-N814 PolarHBondContact O-ND2 2.99Å
811	K	92.6	Very high	92	Very high	84 Å²	84	64.6 Å²	64.6	37%	0.365	31%	0.309	S	S	.	.	H	α-helix	trans	-59.5	-49.4	171.2	-70.1	159.8	177.3	156.5	0	111.2	E806 S807 E808 A813 N814 I815	E806-K811 VanDerWaalsContact O-CE 3.24Å; E806-K811 WeakPolarHBondContact O-CE 3.47Å; E806-K811 PolarHBondContact O-NZ 3Å; S807-K811 WeakPolarHBondContact O-CG 3.29Å; S807-K811 PolarHBondContact O-N 3.04Å; E808-K811 VanDerWaalsContact OE1-CD 3.25Å; E808-K811 WeakPolarHBondContact OE1-CD 3.23Å; E808-K811 IonicContact OE1-NZ 3.51Å; E808-K811 PolarHBondContact OE1-NZ 3.38Å; K811-A813 PolarHBondContact O-N 3.14Å; K811-N814 PolarHBondContact O-N 3.19Å; K811-I815 VanDerWaalsContact O-CG1 3.31Å; K811-I815 WeakPolarHBondContact O-CG1 3.19Å; K811-I815 PolarHBondContact O-N 2.96Å
812	C	93.5	Very high	91.8	Very high	10 Å²	10	61.6 Å²	61.6	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-59.8	-42.5	177	-74.2	0	0	0	0	112.4	P747 F748 E808 Y809 I815 L816	P747-C812 HydrophobicContact CG-CB 4.13Å; F748-C812 HydrophobicContact CE2-CB 4.11Å; F748-C812 HydrophobicContact CZ-CB 4.28Å; E808-C812 VanDerWaalsContact O-CB 3.27Å; E808-C812 WeakPolarHBondContact O-CB 3.35Å; E808-C812 PolarHBondContact O-N 3.3Å; E808-C812 PolarHBondContact O-SG 2.88Å; Y809-C812 PolarHBondContact O-N 3.44Å; C812-I815 PolarHBondContact O-N 2.9Å; C812-L816 WeakPolarHBondContact O-CB 3.34Å; C812-L816 PolarHBondContact O-N 3.42Å
813	A	94.2	Very high	91.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-45.4	175.6	0	0	0	0	0	112.1	F748 F796 C799 K800 Y809 Y810 K811 I815 E817	F748-A813 HydrophobicContact CZ-CB 3.89Å; F796-A813 HydrophobicContact CB-CB 4.49Å; F796-A813 HydrophobicContact CD1-CB 4.13Å; C799-A813 HydrophobicContact CB-CB 4.16Å; K800-A813 HydrophobicContact CG-CB 4.21Å; Y809-A813 PolarHBondContact O-N 3.22Å; Y810-A813 PolarHBondContact O-N 3.38Å; K811-A813 PolarHBondContact O-N 3.14Å; A813-I815 PolarHBondContact O-N 3.36Å; A813-E817 WeakPolarHBondContact O-CB 3.46Å; A813-E817 PolarHBondContact O-N 2.98Å
814	N	93.3	Very high	91.2	Very high	53 Å²	53	58.9 Å²	58.9	28%	0.283	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-37.2	177.2	-78.1	-38	0	0	0	113.6	K800 Y810 K811 K818	K800-N814 VanDerWaalsContact CE-OD1 3.24Å; K800-N814 WeakPolarHBondContact CE-OD1 3.35Å; K800-N814 PolarHBondContact NZ-OD1 3.35Å; Y810-N814 WeakPolarHBondContact CD1-ND2 3.45Å; Y810-N814 VanDerWaalsContact CE1-ND2 3.28Å; Y810-N814 WeakPolarHBondContact CE1-ND2 3.44Å; Y810-N814 PolarHBondContact O-N 3.48Å; Y810-N814 PolarHBondContact O-ND2 2.99Å; K811-N814 PolarHBondContact O-N 3.19Å; N814-K818 VanDerWaalsContact O-CG 3.31Å; N814-K818 WeakPolarHBondContact O-CG 3.48Å; N814-K818 PolarHBondContact O-N 3.01Å
815	I	93.4	Very high	90.9	Very high	79 Å²	79	60 Å²	60	41%	0.405	29%	0.287	S	S	.	.	H	α-helix	trans	-72.3	-48.5	179.1	-63.6	163.8	0	0	0	109.8	K811 C812 A813 E817 K818 F819	K811-I815 VanDerWaalsContact O-CG1 3.31Å; K811-I815 WeakPolarHBondContact O-CG1 3.19Å; K811-I815 PolarHBondContact O-N 2.96Å; C812-I815 PolarHBondContact O-N 2.9Å; A813-I815 PolarHBondContact O-N 3.36Å; I815-E817 PolarHBondContact O-N 2.99Å; I815-K818 PolarHBondContact O-N 3.27Å; I815-F819 PolarHBondContact O-N 2.94Å
816	L	93.2	Very high	90.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70.5	-33.4	-175.5	-164.3	67	0	0	0	112.7	V739 H742 A745 F748 F796 C812 F819 F820	V739-L816 HydrophobicContact CG1-CD1 4.08Å; V739-L816 HydrophobicContact CG1-CD2 3.9Å; V739-L816 HydrophobicContact CG1-CG 4.03Å; H742-L816 HydrophobicContact CB-CD1 3.5Å; H742-L816 WeakPolarHBondContact ND1-CD1 3.37Å; A745-L816 HydrophobicContact CB-CD1 4.33Å; A745-L816 HydrophobicContact CB-CD2 3.91Å; F748-L816 HydrophobicContact CD2-CD2 3.66Å; F748-L816 HydrophobicContact CE2-CD2 4.12Å; F796-L816 HydrophobicContact CE1-CB 3.74Å; F796-L816 HydrophobicContact CE1-CD2 3.81Å; F796-L816 HydrophobicContact CE1-CG 3.91Å; F796-L816 HydrophobicContact CZ-CB 4.03Å; F796-L816 HydrophobicContact CZ-CD2 4.04Å; F796-L816 HydrophobicContact CZ-CG 3.88Å; C812-L816 WeakPolarHBondContact O-CB 3.34Å; C812-L816 PolarHBondContact O-N 3.42Å; L816-F819 HydrophobicContact CD1-CD1 4.26Å; L816-F819 PolarHBondContact O-N 3.43Å; L816-F820 VanDerWaalsContact O-CB 3.29Å; L816-F820 WeakPolarHBondContact O-CB 3.28Å; L816-F820 PolarHBondContact O-N 2.85Å
817	E	93.5	Very high	90.1	Very high	34 Å²	34	56.9 Å²	56.9	16%	0.159	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-45.1	172.2	-176.7	175.8	-138.7	0	0	111.8	F796 K800 A813 I815 F820 F821	F796-E817 HydrophobicContact CB-CB 4.42Å; F796-E817 HydrophobicContact CD1-CB 4.38Å; F796-E817 HydrophobicContact CD2-CB 3.61Å; F796-E817 HydrophobicContact CD2-CG 3.83Å; F796-E817 HydrophobicContact CE2-CB 3.93Å; F796-E817 HydrophobicContact CE2-CG 4.34Å; F796-E817 HydrophobicContact CG-CB 3.87Å; F796-E817 HydrophobicContact CG-CG 4.36Å; F796-E817 HydrophobicContact CZ-CB 4.45Å; K800-E817 IonicContact NZ-OE2 3.69Å; K800-E817 PolarHBondContact NZ-OE2 3.04Å; A813-E817 WeakPolarHBondContact O-CB 3.46Å; A813-E817 PolarHBondContact O-N 2.98Å; I815-E817 PolarHBondContact O-N 2.99Å; E817-F820 WeakPolarHBondContact O-CB 3.47Å; E817-F820 PolarHBondContact O-N 3.3Å; E817-F821 HydrophobicContact CG-CD2 3.83Å; E817-F821 HydrophobicContact CG-CE2 3.65Å; E817-F821 VanDerWaalsContact O-CD2 3.25Å; E817-F821 WeakPolarHBondContact O-CD2 3.29Å; E817-F821 PolarHBondContact O-N 2.99Å
818	K	92.1	Very high	89.3	Confident	157 Å²	157	57.7 Å²	57.7	68%	0.683	28%	0.282	S	S	*	.	H	α-helix	trans	-62.6	-45	175.8	-73	173.5	-178.2	179.6	0	111.8	N814 I815 F820 F821 S822	N814-K818 VanDerWaalsContact O-CG 3.31Å; N814-K818 WeakPolarHBondContact O-CG 3.48Å; N814-K818 PolarHBondContact O-N 3.01Å; I815-K818 PolarHBondContact O-N 3.27Å; K818-F820 PolarHBondContact O-N 3.29Å; K818-F821 PolarHBondContact O-N 2.81Å; K818-S822 PolarHBondContact O-N 3.11Å; K818-S822 VanDerWaalsContact O-N 3.13Å
819	F	91.9	Very high	88.5	Confident	57 Å²	57	52.6 Å²	52.6	25%	0.25	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-45.5	176.1	178.2	-100.8	0	0	0	111.7	Q738 V739 H742 I815 L816 S822 K823	Q738-F819 HydrophobicContact CB-CE1 4.46Å; V739-F819 HydrophobicContact CG2-CD1 4.46Å; H742-F819 HydrophobicContact CB-CD1 4.24Å; H742-F819 HydrophobicContact CB-CE1 4.14Å; H742-F819 AromaticContact CD2-CD1 3.87Å; H742-F819 AromaticContact CD2-CD2 3.67Å; H742-F819 AromaticContact CD2-CE2 3.94Å; H742-F819 AromaticContact CD2-CG 3.64Å; I815-F819 PolarHBondContact O-N 2.94Å; L816-F819 HydrophobicContact CD1-CD1 4.26Å; L816-F819 PolarHBondContact O-N 3.43Å; F819-S822 WeakPolarHBondContact O-CB 3.36Å; F819-S822 PolarHBondContact O-N 2.63Å; F819-K823 HydrophobicContact CD1-CG 4.4Å; F819-K823 HydrophobicContact CE1-CG 3.98Å; F819-K823 HydrophobicContact CE2-CG 4.48Å; F819-K823 HydrophobicContact CZ-CD 4.41Å; F819-K823 HydrophobicContact CZ-CG 4.03Å; F819-K823 PolarHBondContact O-N 3.2Å
820	F	88.6	Confident	87.5	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-47.6	175.2	159.4	-114.7	0	0	0	113.1	I735 V739 F788 M789 L792 F796 L816 E817 K818 S822 K823 I824	I735-F820 HydrophobicContact CG2-CD2 4.48Å; V739-F820 HydrophobicContact CG2-CB 4.34Å; F788-F820 HydrophobicContact CE1-CE2 4.19Å; M789-F820 HydrophobicContact CG-CZ 4.26Å; L792-F820 HydrophobicContact CB-CE2 4.31Å; L792-F820 HydrophobicContact CB-CZ 4.14Å; L792-F820 HydrophobicContact CD2-CB 3.89Å; L792-F820 HydrophobicContact CD2-CD1 3.83Å; L792-F820 HydrophobicContact CD2-CD2 3.11Å; L792-F820 HydrophobicContact CD2-CE1 4.04Å; L792-F820 HydrophobicContact CD2-CE2 3.35Å; L792-F820 HydrophobicContact CD2-CG 3.33Å; L792-F820 HydrophobicContact CD2-CZ 3.8Å; L792-F820 HydrophobicContact CG-CE2 4.46Å; F796-F820 HydrophobicContact CE2-CB 4.44Å; F796-F820 HydrophobicContact CE2-CD1 4.24Å; L816-F820 VanDerWaalsContact O-CB 3.29Å; L816-F820 WeakPolarHBondContact O-CB 3.28Å; L816-F820 PolarHBondContact O-N 2.85Å; E817-F820 WeakPolarHBondContact O-CB 3.47Å; E817-F820 PolarHBondContact O-N 3.3Å; K818-F820 PolarHBondContact O-N 3.29Å; F820-S822 PolarHBondContact O-N 2.81Å; F820-K823 PolarHBondContact O-N 2.76Å; F820-K823 VanDerWaalsContact O-N 3.09Å; F820-I824 HydrophobicContact CD2-CD1 4.27Å; F820-I824 HydrophobicContact CD2-CG1 4.22Å; F820-I824 HydrophobicContact CE2-CB 4.49Å; F820-I824 HydrophobicContact CE2-CD1 3.28Å; F820-I824 HydrophobicContact CE2-CG1 3.68Å; F820-I824 HydrophobicContact CZ-CD1 3.45Å; F820-I824 VanDerWaalsContact CZ-CD1 3.45Å; F820-I824 HydrophobicContact CZ-CG1 4.24Å; F820-I824 PolarHBondContact O-N 3.34Å
821	F	86.9	Confident	85.9	Confident	83 Å²	83	53.6 Å²	53.6	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-33.1	177.7	-83.9	-65.7	0	0	0	112.2	E817 K818 K825 I830	E817-F821 HydrophobicContact CG-CD2 3.83Å; E817-F821 HydrophobicContact CG-CE2 3.65Å; E817-F821 VanDerWaalsContact O-CD2 3.25Å; E817-F821 WeakPolarHBondContact O-CD2 3.29Å; E817-F821 PolarHBondContact O-N 2.99Å; K818-F821 PolarHBondContact O-N 2.81Å; F821-K825 WeakPolarHBondContact O-CB 3.29Å; F821-K825 PolarHBondContact O-N 3.49Å; F821-K825 VanDerWaalsContact O-N 3.14Å; F821-I830 HydrophobicContact CD1-CD1 4.15Å; F821-I830 HydrophobicContact CE1-CD1 4.12Å
822	S	89.8	Confident	83.4	Confident	60 Å²	60	61.2 Å²	61.2	42%	0.42	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-53.4	168.6	-163	0	0	0	0	111.2	K818 F819 F820 I824 K825 E826	K818-S822 PolarHBondContact O-N 3.11Å; K818-S822 VanDerWaalsContact O-N 3.13Å; F819-S822 WeakPolarHBondContact O-CB 3.36Å; F819-S822 PolarHBondContact O-N 2.63Å; F820-S822 PolarHBondContact O-N 2.81Å; S822-I824 VanDerWaalsContact C-N 3.32Å; S822-I824 PolarHBondContact O-N 3.48Å; S822-K825 PolarHBondContact O-N 2.6Å; S822-E826 WeakPolarHBondContact CB-OE1 3.2Å; S822-E826 VanDerWaalsContact O-CG 3.31Å; S822-E826 WeakPolarHBondContact O-CG 3.45Å; S822-E826 PolarHBondContact O-N 2.65Å; S822-E826 PolarHBondContact OG-OE1 3.28Å
823	K	88.1	Confident	82.9	Confident	41 Å²	41	63.8 Å²	63.8	18%	0.178	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-33.7	-177.5	-64.8	-40.7	-174.6	-165	0	114.1	I735 F819 F820 E826 A827	I735-K823 HydrophobicContact CG2-CB 4.41Å; F819-K823 HydrophobicContact CD1-CG 4.4Å; F819-K823 HydrophobicContact CE1-CG 3.98Å; F819-K823 HydrophobicContact CE2-CG 4.48Å; F819-K823 HydrophobicContact CZ-CD 4.41Å; F819-K823 HydrophobicContact CZ-CG 4.03Å; F819-K823 PolarHBondContact O-N 3.2Å; F820-K823 PolarHBondContact O-N 2.76Å; F820-K823 VanDerWaalsContact O-N 3.09Å; K823-E826 WeakPolarHBondContact CD-OE1 3.35Å; K823-E826 VanDerWaalsContact CD-OE2 3.27Å; K823-E826 WeakPolarHBondContact CD-OE2 3.27Å; K823-E826 VanDerWaalsContact NZ-CD 3.26Å; K823-E826 IonicContact NZ-OE1 2.69Å; K823-E826 PolarHBondContact NZ-OE1 3.16Å; K823-E826 VanDerWaalsContact NZ-OE1 3.08Å; K823-E826 IonicContact NZ-OE2 2.68Å; K823-E826 PolarHBondContact NZ-OE2 3.47Å; K823-A827 VanDerWaalsContact O-CB 3.29Å; K823-A827 WeakPolarHBondContact O-CB 3.28Å; K823-A827 PolarHBondContact O-N 2.84Å
824	I	84.1	Confident	82.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-72.4	-31.9	173.4	-93.6	-162.5	0	0	0	112.9	I735 M789 F820 S822 G828 L829 I830	I735-I824 HydrophobicContact CD1-CG1 4.19Å; M789-I824 HydrophobicContact CG-CD1 3.39Å; M789-I824 HydrophobicContact SD-CD1 4.06Å; F820-I824 HydrophobicContact CD2-CD1 4.27Å; F820-I824 HydrophobicContact CD2-CG1 4.22Å; F820-I824 HydrophobicContact CE2-CB 4.49Å; F820-I824 HydrophobicContact CE2-CD1 3.28Å; F820-I824 HydrophobicContact CE2-CG1 3.68Å; F820-I824 HydrophobicContact CZ-CD1 3.45Å; F820-I824 VanDerWaalsContact CZ-CD1 3.45Å; F820-I824 HydrophobicContact CZ-CG1 4.24Å; F820-I824 PolarHBondContact O-N 3.34Å; S822-I824 VanDerWaalsContact C-N 3.32Å; S822-I824 PolarHBondContact O-N 3.48Å; I824-G828 PolarHBondContact O-N 2.93Å; I824-L829 HydrophobicContact CG1-CB 4.41Å; I824-L829 HydrophobicContact CG1-CD1 4.26Å; I824-L829 HydrophobicContact CG2-CB 4.09Å; I824-L829 WeakPolarHBondContact O-CB 3.42Å; I824-L829 PolarHBondContact O-N 3.15Å; I824-I830 HydrophobicContact CG2-CB 4.02Å; I824-I830 HydrophobicContact CG2-CD1 3.41Å; I824-I830 VanDerWaalsContact CG2-CD1 3.41Å; I824-I830 HydrophobicContact CG2-CG1 3.44Å; I824-I830 VanDerWaalsContact CG2-CG1 3.44Å
825	K	83.2	Confident	81.7	Confident	102 Å²	102	67.9 Å²	67.9	44%	0.443	34%	0.339	S	S	.	.	H	α-helix	trans	-74.2	-41.5	175.2	-165.4	163.3	-168.8	159	0	111.7	F821 S822 A827 G828 K832	F821-K825 WeakPolarHBondContact O-CB 3.29Å; F821-K825 PolarHBondContact O-N 3.49Å; F821-K825 VanDerWaalsContact O-N 3.14Å; S822-K825 PolarHBondContact O-N 2.6Å; K825-A827 VanDerWaalsContact C-N 3.32Å; K825-A827 PolarHBondContact O-N 3.07Å; K825-G828 PolarHBondContact O-N 2.65Å; K825-G828 VanDerWaalsContact O-N 3.14Å; K825-K832 WeakPolarHBondContact CE-OXT 3.43Å; K825-K832 PolarHBondContact NZ-OXT 2.98Å
826	E	83.6	Confident	81	Confident	111 Å²	111	67.3 Å²	67.3	52%	0.519	34%	0.335	S	S	.	.	H	α-helix	trans	-57.8	-42.5	171.1	-69.9	165.8	-131.8	0	0	111.6	S822 K823 G828	S822-E826 WeakPolarHBondContact CB-OE1 3.2Å; S822-E826 VanDerWaalsContact O-CG 3.31Å; S822-E826 WeakPolarHBondContact O-CG 3.45Å; S822-E826 PolarHBondContact O-N 2.65Å; S822-E826 PolarHBondContact OG-OE1 3.28Å; K823-E826 WeakPolarHBondContact CD-OE1 3.35Å; K823-E826 VanDerWaalsContact CD-OE2 3.27Å; K823-E826 WeakPolarHBondContact CD-OE2 3.27Å; K823-E826 VanDerWaalsContact NZ-CD 3.26Å; K823-E826 IonicContact NZ-OE1 2.69Å; K823-E826 PolarHBondContact NZ-OE1 3.16Å; K823-E826 VanDerWaalsContact NZ-OE1 3.08Å; K823-E826 IonicContact NZ-OE2 2.68Å; K823-E826 PolarHBondContact NZ-OE2 3.47Å; E826-G828 PolarHBondContact O-N 2.94Å
827	A	79.9	Confident	80.2	Confident	31 Å²	31	71.5 Å²	71.5	26%	0.256	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	3.5	177.3	0	0	0	0	0	115.1	T731 I735 K823 K825 L829	T731-A827 HydrophobicContact CG2-CB 4.07Å; I735-A827 HydrophobicContact CD1-CB 3.76Å; I735-A827 HydrophobicContact CG1-CB 4.44Å; K823-A827 VanDerWaalsContact O-CB 3.29Å; K823-A827 WeakPolarHBondContact O-CB 3.28Å; K823-A827 PolarHBondContact O-N 2.84Å; K825-A827 VanDerWaalsContact C-N 3.32Å; K825-A827 PolarHBondContact O-N 3.07Å; A827-L829 VanDerWaalsContact C-N 3.27Å; A827-L829 HydrophobicContact CB-CD1 4.15Å; A827-L829 HydrophobicContact CB-CG 4.06Å; A827-L829 PolarHBondContact O-N 3.19Å
828	G	76.6	Confident	79.4	Confident	38 Å²	38	74 Å²	74	39%	0.392	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	39.2	-177.5	0	0	0	0	0	112.9	R723 I824 K825 E826	R723-G828 PolarHBondContact NH2-O 3.36Å; I824-G828 PolarHBondContact O-N 2.93Å; K825-G828 PolarHBondContact O-N 2.65Å; K825-G828 VanDerWaalsContact O-N 3.14Å; E826-G828 PolarHBondContact O-N 2.94Å
829	L	74	Confident	78.4	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.021	35%	0.347	C	S	.	.	S	Bend	trans	-101.5	-17.4	177.8	-65.6	179.2	0	0	0	112.9	T731 L732 I735 K785 I824 A827	T731-L829 HydrophobicContact CG2-CD1 4.11Å; L732-L829 HydrophobicContact CD2-CD1 4.07Å; I735-L829 HydrophobicContact CD1-CD1 3.54Å; K785-L829 HydrophobicContact CB-CD2 4.2Å; K785-L829 HydrophobicContact CD-CB 4.16Å; K785-L829 HydrophobicContact CD-CD2 3.89Å; K785-L829 WeakPolarHBondContact CD-O 3.41Å; K785-L829 WeakPolarHBondContact CE-O 3.47Å; K785-L829 PolarHBondContact NZ-O 3.09Å; I824-L829 HydrophobicContact CG1-CB 4.41Å; I824-L829 HydrophobicContact CG1-CD1 4.26Å; I824-L829 HydrophobicContact CG2-CB 4.09Å; I824-L829 WeakPolarHBondContact O-CB 3.42Å; I824-L829 PolarHBondContact O-N 3.15Å; A827-L829 VanDerWaalsContact C-N 3.27Å; A827-L829 HydrophobicContact CB-CD1 4.15Å; A827-L829 HydrophobicContact CB-CG 4.06Å; A827-L829 PolarHBondContact O-N 3.19Å
830	I	70.9	Confident	77.4	Confident	62 Å²	62	68.9 Å²	68.9	32%	0.318	36%	0.355	S	S	.	.	S	Bend	trans	-126.7	145.6	162.5	-62.7	171.6	0	0	0	107.9	M789 F821 I824	M789-I830 HydrophobicContact CE-CD1 3.59Å; M789-I830 HydrophobicContact CE-CG1 3.94Å; M789-I830 HydrophobicContact SD-CD1 4.36Å; M789-I830 HydrophobicContact SD-CG1 4.25Å; F821-I830 HydrophobicContact CD1-CD1 4.15Å; F821-I830 HydrophobicContact CE1-CD1 4.12Å; I824-I830 HydrophobicContact CG2-CB 4.02Å; I824-I830 HydrophobicContact CG2-CD1 3.41Å; I824-I830 VanDerWaalsContact CG2-CD1 3.41Å; I824-I830 HydrophobicContact CG2-CG1 3.44Å; I824-I830 VanDerWaalsContact CG2-CG1 3.44Å
831	D	59.7	Low	76.5	Confident	117 Å²	117	74.5 Å²	74.5	63%	0.626	38%	0.383	S	S	*	.			trans	-71.3	173.8	179.7	-56.1	-80.2	0	0	0	113.2
832	K	40.9	Very low	75.5	Confident	245 Å²	245	73.7 Å²	73.7	100%	1.065	39%	0.385	S	S	*	.			trans	-78.5	0	-167	-95.7	-168.4	174.7	-175.3	0	115.1	K825	K825-K832 WeakPolarHBondContact CE-OXT 3.43Å; K825-K832 PolarHBondContact NZ-OXT 2.98Å

Retrieved 832 of 832 residues in 234.1 ms (Link to these results)

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