A0A087XIF6_POEFO Loading...

Paladin

AlphaFold DB , UniProt , Accession A0A087XIF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 891 aa.

						>A0A087XIF6_POEFO|A0A087XIF6
MAENRQQRKSAGSGDRSSSHFSLWSMGTTASAAPQPVYVASPLDNVHANGMAQSSMSPVHMVNIHNNKAKSIITNKVAPVVITYNCRQEFQIHDTVLKANYKVGRISDSLPEHYLVKGEYFMVQDVSSKADVLNTTSSYGAPNFRQVKGAYPLYGMGQPTLNGFKQVLQRLQTQGQQEIIFFCIREEPVVFLHKDDDFVPYTPRRKENLHENLQGLQGEETVESLELSIRNELHDFAKLSKNILYVYNDIEFFKDEPQKMSILCEEDIHVTEEVYKRPMFTMQGYRYFRLPLPVEGAPLEEDFDAFVNILRESPSLCLGHSASRVPPTLVFSCQVGVGRTNLAMILGTLVMKRLKGDSQLPPQSAEAGTSEPRPLFQVIQSLIKKLPNGQQLMEEVDHAIALCSEMHNIKEAIYENASKLEGIGEDYQTQGSTTKEYFLNRTKQSLERYFYLIVFNAYLHEQYPLAFVSNFSQWMCCHAWLYRLLARMDVSELSAPAELLTKGARVLVADEYLAPDVLSTIKEMKVANFRRVPKMPVYGVAQPTSEAIGAVLAHLTDEKRKHNHVLWINVHEELALEGNGQIFIPREPSCLDQPIPVPTSDPQLLQKLETSLKEEILRAQKWLEVTLEQEKQMKMFKSCLTIQEIFNQHKSSHQGLVYKRIPLPDCSSPREEDFDKLHEAIRNALAEDPHTAFVFNCANGKSRSTTAMVVAVLTLWHLKGFPECTDDEIVSVPDAKYTKGEFEVVMRVVRLLPDGHKRKKEVDLALDSISETMTPMHYHLREMIISIYRQIKPEKTEKECKQQLLRSLQFLERYIYLILFNTYLHLEKKDSWHRSFSVWMEQVAARAGVYDILNQLCFSEFEDPRVMTLARLRYRWQQQDIQSLPFRGEFI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.1	Very low	31.3	Very low	244 Å²	244	163.3 Å²	163.3	100%	1.202	82%	0.824	S	S	*	*				0	127	0	-74.6	-174.6	-166.6	0	0	107.6
2	A	34.5	Very low	30.8	Very low	95 Å²	95	155.8 Å²	155.8	79%	0.785	82%	0.819	S	S	*	*			trans	32.1	134.9	160.3	0	0	0	0	0	119.6
3	E	34.2	Very low	30.5	Very low	173 Å²	173	153.7 Å²	153.7	81%	0.808	83%	0.825	S	S	*	*			cis	-156.3	147.6	46.7	-76.7	179.7	142.7	0	0	114.9
4	N	36.3	Very low	30.2	Very low	155 Å²	155	148.6 Å²	148.6	83%	0.829	83%	0.826	S	S	*	*			trans	56.4	120.9	143.7	-68.6	-21.7	0	0	0	124.4
5	R	37.7	Very low	30	Very low	220 Å²	220	149.2 Å²	149.2	83%	0.83	83%	0.828	S	S	*	*			trans	-140.7	155.4	168.7	-89.2	-175.1	172.6	-173.6	1.1	107.3
6	Q	32.9	Very low	29.8	Very low	158 Å²	158	155.9 Å²	155.9	74%	0.738	84%	0.836	S	S	*	*			cis	-163.1	152.1	11	-126.9	162.3	-18.3	0	0	110.1
7	Q	31.2	Very low	29.7	Very low	176 Å²	176	153.3 Å²	153.3	82%	0.822	83%	0.833	S	S	*	*			trans	-70.1	140.5	173.6	-83	170.9	-13.3	0	0	112.6
8	R	28.1	Very low	29.5	Very low	211 Å²	211	151.2 Å²	151.2	80%	0.796	83%	0.831	S	S	*	*				53.3	141.1	89.2	-71.6	-172.8	170.7	177.1	0.6	113.3
9	K	28.5	Very low	29.3	Very low	160 Å²	160	149.1 Å²	149.1	70%	0.696	83%	0.829	S	S	*	*			cis	-175.1	143.8	6.8	-113.2	179.6	178.6	-170.4	0	107.9
10	S	23.9	Very low	29.1	Very low	101 Å²	101	150.9 Å²	150.9	71%	0.706	83%	0.83	S	S	*	*				-0.1	155.8	128.1	61.5	0	0	0	0	119.2
11	A	27.6	Very low	28.9	Very low	103 Å²	103	153.4 Å²	153.4	85%	0.851	83%	0.833	S	S	*	*			cis	-179.1	165.9	1.7	0	0	0	0	0	110.4
12	G	26	Very low	28.8	Very low	74 Å²	74	145.8 Å²	145.8	76%	0.763	80%	0.804	S	S	*	*			trans	106.2	132.9	149.6	0	0	0	0	0	114.7
13	S	26.8	Very low	28.3	Very low	128 Å²	128	148.8 Å²	148.8	90%	0.895	81%	0.806	S	S	*	*			cis	-177.8	146.5	-0.8	46.6	0	0	0	0	107.1
14	G	26.1	Very low	27.8	Very low	82 Å²	82	150.7 Å²	150.7	85%	0.845	81%	0.806	S	S	*	*			trans	164.4	94.4	169.4	0	0	0	0	0	114
15	D	27.1	Very low	27.1	Very low	158 Å²	158	148.1 Å²	148.1	85%	0.845	80%	0.8	S	S	*	*			trans	-61.9	145.1	-176.7	-76.5	-47.6	0	0	0	116
16	R	27.2	Very low	26.5	Very low	256 Å²	256	145.6 Å²	145.6	97%	0.966	80%	0.8	S	S	*	*			trans	-161.7	105	136.1	-103.7	173.3	-166.2	-161.4	3.6	108.9
17	S	28.5	Very low	26.1	Very low	112 Å²	112	141.5 Å²	141.5	78%	0.783	80%	0.8	S	S	*	*			trans	-89.2	145.9	-177	49.2	0	0	0	0	112.7
18	S	25.5	Very low	25.9	Very low	115 Å²	115	139.7 Å²	139.7	80%	0.804	80%	0.801	S	S	*	*			trans	-62.5	137.8	175	49.4	0	0	0	0	114
19	S	26.1	Very low	25.9	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	81%	0.806	S	S	*	*			trans	-130.1	129.5	158.5	55.8	0	0	0	0	111.2
20	H	25.7	Very low	25.8	Very low	185 Å²	185	133.9 Å²	133.9	86%	0.856	81%	0.813	S	S	*	*			trans	-54.3	141.8	171.8	-78.2	-98	0	0	0	112.8
21	F	25.2	Very low	25.8	Very low	204 Å²	204	134.8 Å²	134.8	90%	0.895	82%	0.819	S	S	*	*			trans	-138.1	143.2	145.3	-99.1	-81.9	0	0	0	110.8
22	S	25.7	Very low	25.8	Very low	85 Å²	85	134.1 Å²	134.1	59%	0.594	81%	0.813	S	S	*	*			trans	-91.2	136.2	-148.2	45.7	0	0	0	0	114.5	W24	S22-W24 PolarHBondContact O-N 2.93Å
23	L	23.9	Very low	25.9	Very low	157 Å²	157	135.1 Å²	135.1	82%	0.822	81%	0.814	S	S	*	*			trans	-51.9	125.9	152.4	-103.6	79.2	0	0	0	109.9
24	W	23.6	Very low	26	Very low	213 Å²	213	134.6 Å²	134.6	81%	0.807	81%	0.808	S	S	*	*			trans	-118.6	99.3	155	-87.8	57.1	0	0	0	108.4	S22	S22-W24 PolarHBondContact O-N 2.93Å
25	S	22.4	Very low	26	Very low	102 Å²	102	139.9 Å²	139.9	71%	0.713	81%	0.811	S	S	*	*			trans	-79.2	129.7	156.2	-51.7	0	0	0	0	107.5
26	M	25.2	Very low	26	Very low	167 Å²	167	138 Å²	138	82%	0.823	81%	0.807	S	S	*	*			trans	-141.6	122.1	158.3	-88.6	-114.8	-75.1	0	0	109.1
27	G	25.1	Very low	25.8	Very low	71 Å²	71	131.4 Å²	131.4	73%	0.732	80%	0.795	S	S	*	*			trans	-78.8	168.9	-178.3	0	0	0	0	0	113.8
28	T	26.2	Very low	25.6	Very low	139 Å²	139	135.7 Å²	135.7	85%	0.853	80%	0.796	S	S	*	*			trans	-37.4	140.9	168.3	46.1	0	0	0	0	116.5
29	T	27.8	Very low	25.5	Very low	148 Å²	148	136.7 Å²	136.7	91%	0.908	80%	0.797	S	S	*	*				-158.1	140.6	127.4	18.9	0	0	0	0	110.3
30	A	25.8	Very low	25.4	Very low	100 Å²	100	135 Å²	135	83%	0.826	79%	0.79	S	S	*	*			trans	-87.8	153.5	-176.4	0	0	0	0	0	112.4
31	S	25.4	Very low	25.3	Very low	121 Å²	121	131.5 Å²	131.5	85%	0.846	79%	0.785	S	S	*	*			trans	-168.7	123	131.1	-158.8	0	0	0	0	113.8
32	A	27.3	Very low	26	Very low	88 Å²	88	126.9 Å²	126.9	73%	0.727	78%	0.776	S	S	*	*			trans	6	122.1	153.5	0	0	0	0	0	123.9
33	A	26.8	Very low	25.9	Very low	95 Å²	95	129.7 Å²	129.7	79%	0.785	78%	0.784	S	S	*	*				62.4	171	118.8	0	0	0	0	0	121.7
34	P	30.1	Very low	25.9	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	78%	0.777	S	S	*	*				-121.4	158.8	-68.3	35.9	-21.9	0	0	0	111.5
35	Q	25	Very low	25.9	Very low	193 Å²	193	125.1 Å²	125.1	90%	0.902	78%	0.776	S	S	*	*			trans	-119	135.1	169.8	-79.4	-113.9	-35.3	0	0	111.8
36	P	27.8	Very low	26	Very low	118 Å²	118	125.4 Å²	125.4	77%	0.766	77%	0.773	S	S	*	*			trans	-91.9	164.8	-173.7	37.2	-34.6	0	0	0	113.7
37	V	23.3	Very low	26	Very low	117 Å²	117	126.2 Å²	126.2	71%	0.709	77%	0.774	S	S	*	*			trans	-69.4	147.6	169.3	-174.8	0	0	0	0	110.6
38	Y	24.6	Very low	26	Very low	203 Å²	203	126.5 Å²	126.5	80%	0.796	77%	0.77	S	S	*	*				150.2	124.7	127.5	-91.8	-91.2	0	0	0	114.7
39	V	23.2	Very low	25.9	Very low	136 Å²	136	128.2 Å²	128.2	82%	0.824	77%	0.774	S	S	*	*			trans	71.3	149.8	131.6	171.4	0	0	0	0	121.8
40	A	22.8	Very low	25.8	Very low	76 Å²	76	124.9 Å²	124.9	63%	0.628	77%	0.769	S	S	*	*			trans	-87.3	150.5	-156.8	0	0	0	0	0	116.9
41	S	23.5	Very low	25.8	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	77%	0.774	S	S	*	*			trans	59.1	165.9	139.7	61.9	0	0	0	0	120.3
42	P	40.1	Very low	25.9	Very low	107 Å²	107	128.2 Å²	128.2	70%	0.695	77%	0.774	S	S	*	*			cis	-134.8	-173.7	-23.5	26.4	-2.7	0	0	0	113.6
43	L	23.9	Very low	25.8	Very low	145 Å²	145	133.2 Å²	133.2	76%	0.759	78%	0.782	S	S	*	*			trans	110.6	113.2	152.5	-70.9	141.7	0	0	0	120.1
44	D	23.8	Very low	25.8	Very low	126 Å²	126	133.8 Å²	133.8	67%	0.674	78%	0.781	S	S	*	*			trans	46.9	113.6	131.4	-63.6	-12.1	0	0	0	121.9
45	N	23.7	Very low	25.6	Very low	147 Å²	147	133.8 Å²	133.8	79%	0.786	78%	0.783	S	S	*	*				174.9	124	100.6	-93.9	-40.5	0	0	0	113.8
46	V	25.1	Very low	25.6	Very low	108 Å²	108	133.4 Å²	133.4	66%	0.655	78%	0.784	S	S	*	*				46.6	114.3	125.9	-173.3	0	0	0	0	120.9
47	H	25.4	Very low	25.5	Very low	184 Å²	184	132.7 Å²	132.7	85%	0.852	78%	0.782	S	S	*	*			trans	138	146.6	138.7	-77.9	-44.3	0	0	0	110
48	A	23.9	Very low	25.8	Very low	77 Å²	77	133 Å²	133	64%	0.636	79%	0.786	S	S	*	*			cis	-174.9	141.9	-21.9	0	0	0	0	0	105.3
49	N	25.1	Very low	26.1	Very low	175 Å²	175	129.9 Å²	129.9	94%	0.936	79%	0.788	S	S	*	*			trans	64.1	125.2	158.4	-74.9	-7.9	0	0	0	121.9
50	G	24.7	Very low	26.4	Very low	78 Å²	78	131.8 Å²	131.8	80%	0.804	79%	0.787	S	S	*	*			trans	169.7	76.3	159.2	0	0	0	0	0	112.2
51	M	27.1	Very low	26.7	Very low	189 Å²	189	136.8 Å²	136.8	93%	0.931	80%	0.8	S	S	*	*			trans	-57.3	136.3	175.6	-75.8	-178.8	166.2	0	0	112.8
52	A	26.7	Very low	27.2	Very low	103 Å²	103	137.4 Å²	137.4	85%	0.851	80%	0.799	S	S	*	*			trans	-156.1	129.9	138.7	0	0	0	0	0	109.6
53	Q	25.9	Very low	26.7	Very low	192 Å²	192	139.5 Å²	139.5	90%	0.897	80%	0.804	S	S	*	*			trans	-79.3	142.6	-169.1	-62	174.5	-20	0	0	112.6
54	S	26.6	Very low	27.3	Very low	108 Å²	108	139.1 Å²	139.1	76%	0.755	80%	0.802	S	S	*	*			trans	-141.6	106.6	150.2	66.4	0	0	0	0	110.3
55	S	25.1	Very low	27.7	Very low	118 Å²	118	141.6 Å²	141.6	83%	0.825	81%	0.809	S	S	*	*			trans	7.1	108.8	158.3	52.9	0	0	0	0	118.8
56	M	25.9	Very low	28.4	Very low	184 Å²	184	141.7 Å²	141.7	91%	0.906	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-80.1	130.5	157.7	-68.7	-94.2	79.8	0	0	110.1
57	S	26	Very low	29.2	Very low	104 Å²	104	143.5 Å²	143.5	73%	0.727	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-89.1	150.9	158.9	33.3	0	0	0	0	109.9
58	P	29.7	Very low	30.1	Very low	123 Å²	123	144.8 Å²	144.8	80%	0.799	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-84.3	127.4	-161.4	19.7	-8.7	0	0	0	112.4	H60	P58-H60 PolarHBondContact O-N 3.47Å
59	V	30.7	Very low	31	Very low	138 Å²	138	145.1 Å²	145.1	84%	0.836	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-62.3	120.4	162.3	179.7	0	0	0	0	107.9	M61	V59-M61 PolarHBondContact O-N 3.07Å
60	H	28.7	Very low	32	Very low	175 Å²	175	146.8 Å²	146.8	81%	0.81	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-60.9	116.6	170.7	-106.9	49.7	0	0	0	109.1	P58 V62	P58-H60 PolarHBondContact O-N 3.47Å; H60-V62 PolarHBondContact O-N 3Å
61	M	28.4	Very low	33.1	Very low	181 Å²	181	146.4 Å²	146.4	89%	0.892	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-63.1	122.6	169.4	-85.8	-170	-82.2	0	0	109.4	V59 N63	V59-M61 PolarHBondContact O-N 3.07Å; M61-N63 PolarHBondContact O-N 2.8Å
62	V	34.5	Very low	34.3	Very low	124 Å²	124	143.4 Å²	143.4	75%	0.752	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-58.5	118.8	167.6	-179.3	0	0	0	0	108.1	H60 I64	H60-V62 PolarHBondContact O-N 3Å; V62-I64 VanDerWaalsContact C-N 3.29Å; V62-I64 HydrophobicContact CG1-CG1 3.89Å; V62-I64 PolarHBondContact O-N 3.21Å
63	N	29.5	Very low	35.5	Very low	151 Å²	151	144.4 Å²	144.4	81%	0.807	78%	0.781	S	S	*	*			trans	-79.6	79.5	179	-150.3	2.5	0	0	0	108.8	M61 H65	M61-N63 PolarHBondContact O-N 2.8Å; N63-H65 PolarHBondContact O-N 3.09Å
64	I	36.2	Very low	36.6	Very low	137 Å²	137	140.1 Å²	140.1	70%	0.703	77%	0.768	S	S	*	*			trans	-71.8	118.9	173.1	-59.1	177.2	0	0	0	107.5	V62 N66	V62-I64 VanDerWaalsContact C-N 3.29Å; V62-I64 HydrophobicContact CG1-CG1 3.89Å; V62-I64 PolarHBondContact O-N 3.21Å; I64-N66 PolarHBondContact O-N 2.83Å
65	H	32.6	Very low	37.7	Very low	177 Å²	177	140.2 Å²	140.2	82%	0.819	76%	0.76	S	S	*	*			trans	-55.1	128.2	174.8	-85.6	-11.2	0	0	0	111.7	N63 N67	N63-H65 PolarHBondContact O-N 3.09Å; H65-N67 PolarHBondContact O-N 3.4Å
66	N	39	Very low	39.1	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	77%	0.766	S	S	*	*	S	Bend	trans	-52.7	111.4	178.8	-90.2	-26.5	0	0	0	112.8	I64	I64-N66 PolarHBondContact O-N 2.83Å
67	N	41.1	Very low	40.4	Very low	145 Å²	145	142.4 Å²	142.4	78%	0.775	76%	0.761	S	S	*	*	S	Bend		165.5	133.7	108	-93.2	-37.5	0	0	0	111	H65	H65-N67 PolarHBondContact O-N 3.4Å
68	K	44.4	Very low	41.7	Very low	211 Å²	211	138.6 Å²	138.6	92%	0.917	74%	0.735	S	S	*	*	S	Bend	trans	100.3	48.4	166.4	-53.3	179.2	-178	178	0	119.2
69	A	42.2	Very low	43	Very low	84 Å²	84	135.1 Å²	135.1	69%	0.694	71%	0.713	S	S	*	*			trans	-141.6	124.5	155.8	0	0	0	0	0	111.5
70	K	47.8	Very low	44.1	Very low	211 Å²	211	130.4 Å²	130.4	92%	0.917	68%	0.684	S	S	*	*			trans	-140.6	81.8	171.6	-94	-168.2	176.3	-177.8	0	110
71	S	46.6	Very low	45.4	Very low	69 Å²	69	124 Å²	124	48%	0.483	66%	0.657	S	S	.	*			trans	168	96.1	145.1	52.8	0	0	0	0	108.5
72	I	52.1	Low	46.8	Very low	127 Å²	127	118 Å²	118	65%	0.651	63%	0.628	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.9	115.2	170.2	-58.7	171.5	0	0	0	106.1	T74	I72-T74 HydrophobicContact CG2-CG2 3.7Å
73	I	53.7	Low	47.8	Very low	123 Å²	123	114 Å²	114	63%	0.631	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.4	107.2	169	-57.6	176.4	0	0	0	106
74	T	48.4	Very low	48.7	Very low	102 Å²	102	118.3 Å²	118.3	63%	0.626	61%	0.611	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.5	122.9	178.6	52.4	0	0	0	0	110.2	I72 P79	I72-T74 HydrophobicContact CG2-CG2 3.7Å; T74-P79 HydrophobicContact CG2-CB 4.24Å
75	N	49.8	Very low	49.8	Very low	110 Å²	110	115.8 Å²	115.8	59%	0.588	60%	0.599	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.7	139.1	153.4	-172.7	-13.9	0	0	0	107.2	V77 A78	N75-V77 PolarHBondContact O-N 3.42Å; N75-A78 CarbonylContact O-C 3.48Å; N75-A78 PolarHBondContact O-N 3.02Å
76	K	54.1	Low	50.9	Low	217 Å²	217	112.5 Å²	112.5	94%	0.943	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-12.3	-177.5	-73.2	-170.4	176.4	-179.5	0	114.1
77	V	52.8	Low	51.5	Low	132 Å²	132	115.7 Å²	115.7	80%	0.8	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-26.7	-175.8	-165.5	0	0	0	0	112.6	N75	N75-V77 PolarHBondContact O-N 3.42Å
78	A	52.8	Low	52	Low	23 Å²	23	113.8 Å²	113.8	19%	0.19	58%	0.581	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-161.7	114.6	175.5	0	0	0	0	0	110.5	N75 V80 Q91	N75-A78 CarbonylContact O-C 3.48Å; N75-A78 PolarHBondContact O-N 3.02Å; A78-V80 PolarHBondContact O-N 2.72Å; A78-Q91 HydrophobicContact CB-CG 4.01Å; A78-Q91 VanDerWaalsContact CB-NE2 3.31Å
79	P	57	Low	52.4	Low	50 Å²	50	111 Å²	111	33%	0.325	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.3	128.4	176.1	12.6	-5.7	0	0	0	110.6	T74 I92	T74-P79 HydrophobicContact CG2-CB 4.24Å; P79-I92 HydrophobicContact CB-CD1 4.22Å; P79-I92 HydrophobicContact CG-CB 4.2Å; P79-I92 PolarHBondContact O-N 3Å
80	V	54.8	Low	52.9	Low	40 Å²	40	112.1 Å²	112.1	24%	0.242	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.5	133.2	179.3	-173.8	0	0	0	0	109.6	A78 I82 E89 F90	A78-V80 PolarHBondContact O-N 2.72Å; V80-I82 HydrophobicContact CG1-CG1 4.33Å; V80-E89 HydrophobicContact CG1-CB 4.02Å; V80-F90 CarbonylContact C-O 3.51Å; V80-F90 VanDerWaalsContact CA-O 3.26Å; V80-F90 WeakPolarHBondContact CA-O 3.37Å
81	V	56.5	Low	53.1	Low	39 Å²	39	107.3 Å²	107.3	24%	0.236	54%	0.542	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.5	172.3	-176.4	0	0	0	0	108.6	F90 I92	V81-F90 HydrophobicContact CB-CB 4.42Å; V81-F90 PolarHBondContact N-O 3.32Å; V81-F90 PolarHBondContact O-N 2.8Å; V81-I92 HydrophobicContact CG2-CD1 3.71Å; V81-I92 HydrophobicContact CG2-CG1 3.95Å
82	I	56.6	Low	53.4	Low	57 Å²	57	107.4 Å²	107.4	29%	0.292	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.3	178.3	-54.9	176.5	0	0	0	108.4	V80 E89	V80-I82 HydrophobicContact CG1-CG1 4.33Å; I82-E89 HydrophobicContact CG1-CG 4.5Å
83	T	55.4	Low	53.2	Low	40 Å²	40	108 Å²	108	25%	0.245	54%	0.536	C	S	.	.			trans	-72.7	159.9	175.5	51.8	0	0	0	0	111.8	N85 C86 Q88 F90	T83-N85 PolarHBondContact O-N 3.18Å; T83-N85 PolarHBondContact OG1-OD1 2.96Å; T83-C86 PolarHBondContact O-N 3.27Å; T83-Q88 HydrophobicContact CG2-CB 4.23Å; T83-Q88 PolarHBondContact N-O 3.15Å; T83-Q88 PolarHBondContact OG1-O 3.25Å; T83-F90 HydrophobicContact CG2-CD2 4.33Å; T83-F90 HydrophobicContact CG2-CE2 3.66Å
84	Y	49.6	Very low	53.1	Low	240 Å²	240	108.6 Å²	108.6	94%	0.941	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-20.6	-175.5	-166.3	-95	0	0	0	115.4
85	N	57.9	Low	53.1	Low	85 Å²	85	110.2 Å²	110.2	46%	0.455	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.9	2	-179	63.3	-4	0	0	0	114.4	T83 R87	T83-N85 PolarHBondContact O-N 3.18Å; T83-N85 PolarHBondContact OG1-OD1 2.96Å; N85-R87 WeakPolarHBondContact O-CG 3.44Å; N85-R87 PolarHBondContact O-N 3.46Å; N85-R87 PolarHBondContact OD1-N 2.93Å
86	C	56.7	Low	53.4	Low	107 Å²	107	111.3 Å²	111.3	72%	0.723	56%	0.561	S	S	*	*	S	Bend	trans	51.5	25.5	-175.4	-57.7	0	0	0	0	114	T83	T83-C86 PolarHBondContact O-N 3.27Å
87	R	51.8	Low	53.7	Low	217 Å²	217	104 Å²	104	82%	0.819	53%	0.532	S	S	*	.			trans	-108.4	-11.3	-179.2	-73.6	-176	179.5	-172.9	-0.8	113.6	N85	N85-R87 WeakPolarHBondContact O-CG 3.44Å; N85-R87 PolarHBondContact O-N 3.46Å; N85-R87 PolarHBondContact OD1-N 2.93Å
88	Q	50.9	Low	54.2	Low	105 Å²	105	103.9 Å²	103.9	49%	0.491	52%	0.521	S	S	.	.			trans	-131.8	124.2	178.2	-63.9	172.7	-27.7	0	0	108.8	T83 F90	T83-Q88 HydrophobicContact CG2-CB 4.23Å; T83-Q88 PolarHBondContact N-O 3.15Å; T83-Q88 PolarHBondContact OG1-O 3.25Å; Q88-F90 HydrophobicContact CB-CE2 3.86Å; Q88-F90 HydrophobicContact CB-CZ 4.16Å
89	E	53.1	Low	54.3	Low	152 Å²	152	107.2 Å²	107.2	71%	0.71	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.8	171.6	-64.9	-178	177.5	0	0	107.3	V80 I82	V80-E89 HydrophobicContact CG1-CB 4.02Å; I82-E89 HydrophobicContact CG1-CG 4.5Å
90	F	53.6	Low	55.1	Low	108 Å²	108	112 Å²	112	47%	0.474	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.6	120.8	173.6	-61.2	-85.3	0	0	0	108.9	V80 V81 T83 Q88	V80-F90 CarbonylContact C-O 3.51Å; V80-F90 VanDerWaalsContact CA-O 3.26Å; V80-F90 WeakPolarHBondContact CA-O 3.37Å; V81-F90 HydrophobicContact CB-CB 4.42Å; V81-F90 PolarHBondContact N-O 3.32Å; V81-F90 PolarHBondContact O-N 2.8Å; T83-F90 HydrophobicContact CG2-CD2 4.33Å; T83-F90 HydrophobicContact CG2-CE2 3.66Å; Q88-F90 HydrophobicContact CB-CE2 3.86Å; Q88-F90 HydrophobicContact CB-CZ 4.16Å
91	Q	51.7	Low	56.7	Low	110 Å²	110	112 Å²	112	51%	0.514	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.9	118.3	168.7	-154.3	165	13.2	0	0	107.3	A78 H93	A78-Q91 HydrophobicContact CB-CG 4.01Å; A78-Q91 VanDerWaalsContact CB-NE2 3.31Å; Q91-H93 PolarHBondContact O-N 3.35Å; Q91-H93 PolarHBondContact OE1-NE2 3.38Å
92	I	52.3	Low	58.3	Low	72 Å²	72	116.3 Å²	116.3	37%	0.369	58%	0.582	S	S	.	*			trans	-72.3	98.6	177.5	-55.9	178.5	0	0	0	107.2	P79 V81 D94	P79-I92 HydrophobicContact CB-CD1 4.22Å; P79-I92 HydrophobicContact CG-CB 4.2Å; P79-I92 PolarHBondContact O-N 3Å; V81-I92 HydrophobicContact CG2-CD1 3.71Å; V81-I92 HydrophobicContact CG2-CG1 3.95Å; I92-D94 VanDerWaalsContact C-N 3.32Å; I92-D94 HydrophobicContact CG2-CB 3.96Å
93	H	48.5	Very low	60	Low	140 Å²	140	116.5 Å²	116.5	65%	0.648	59%	0.586	S	S	*	*			trans	-97.5	29.2	169.7	-70.9	-73.4	0	0	0	111.5	Q91 T95	Q91-H93 PolarHBondContact O-N 3.35Å; Q91-H93 PolarHBondContact OE1-NE2 3.38Å; H93-T95 VanDerWaalsContact C-N 3.28Å; H93-T95 PolarHBondContact O-N 3.44Å
94	D	49.8	Very low	61.8	Low	134 Å²	134	115.1 Å²	115.1	72%	0.717	58%	0.58	S	S	*	*			trans	-62.9	99.5	171	-73.9	-17.1	0	0	0	107.1	I92 V96	I92-D94 VanDerWaalsContact C-N 3.32Å; I92-D94 HydrophobicContact CG2-CB 3.96Å; D94-V96 VanDerWaalsContact C-N 3.31Å; D94-V96 PolarHBondContact O-N 3.06Å
95	T	50.3	Low	63.9	Low	137 Å²	137	108.2 Å²	108.2	84%	0.84	55%	0.552	S	S	*	*			trans	-52.4	105.2	162	-1.4	0	0	0	0	105	H93 L97	H93-T95 VanDerWaalsContact C-N 3.28Å; H93-T95 PolarHBondContact O-N 3.44Å; T95-L97 PolarHBondContact O-N 3.03Å
96	V	55.5	Low	65.4	Low	132 Å²	132	105.4 Å²	105.4	80%	0.8	54%	0.537	S	S	*	.			trans	-52.2	119	178.1	178.7	0	0	0	0	106.3	D94 K98	D94-V96 VanDerWaalsContact C-N 3.31Å; D94-V96 PolarHBondContact O-N 3.06Å; V96-K98 PolarHBondContact O-N 2.69Å; V96-K98 VanDerWaalsContact O-N 3.14Å
97	L	60.5	Low	66.9	Low	64 Å²	64	102.2 Å²	102.2	34%	0.335	52%	0.516	S	S	.	.			trans	-45.9	125.9	175.3	-72.4	166.7	0	0	0	107.4	T95 A99 D235 L239	T95-L97 PolarHBondContact O-N 3.03Å; L97-A99 PolarHBondContact O-N 3.17Å; L97-A99 VanDerWaalsContact O-N 3.09Å; L97-D235 HydrophobicContact CD2-CB 3.71Å; L97-D235 VanDerWaalsContact CD2-OD1 3.25Å; L97-D235 WeakPolarHBondContact CD2-OD1 3.41Å; L97-L239 HydrophobicContact CD1-CD2 3.85Å; L97-L239 HydrophobicContact CD1-CG 4.25Å
98	K	62.6	Low	68.6	Low	130 Å²	130	98.8 Å²	98.8	57%	0.565	51%	0.514	S	S	*	.			trans	-50.5	125.6	-176.5	-76.7	179.8	-178.9	169.9	0	108.3	V96 N100 Y101	V96-K98 PolarHBondContact O-N 2.69Å; V96-K98 VanDerWaalsContact O-N 3.14Å; K98-N100 PolarHBondContact O-N 3.04Å; K98-Y101 HydrophobicContact CB-CE1 4.13Å; K98-Y101 HydrophobicContact CB-CE2 4.07Å; K98-Y101 HydrophobicContact CD-CE1 3.96Å
99	A	56	Low	70.3	Confident	92 Å²	92	98.9 Å²	98.9	76%	0.76	53%	0.526	S	S	*	.	S	Bend	trans	-60.4	-18.6	-167.3	0	0	0	0	0	114.2	L97	L97-A99 PolarHBondContact O-N 3.17Å; L97-A99 VanDerWaalsContact O-N 3.09Å
100	N	72.7	Confident	72.1	Confident	152 Å²	152	92.9 Å²	92.9	81%	0.813	50%	0.499	S	S	*	.			trans	-145.2	81.2	-175.2	-60.8	-49.1	0	0	0	112.4	K98	K98-N100 PolarHBondContact O-N 3.04Å
101	Y	88.1	Confident	73.9	Confident	39 Å²	39	90.4 Å²	90.4	15%	0.153	49%	0.493	C	S	.	.			trans	-74	138.8	163.9	-72.4	-65.1	0	0	0	110.4	K98 E232 D235 F236 L239	K98-Y101 HydrophobicContact CB-CE1 4.13Å; K98-Y101 HydrophobicContact CB-CE2 4.07Å; K98-Y101 HydrophobicContact CD-CE1 3.96Å; Y101-E232 HydrophobicContact CE1-CG 4.09Å; Y101-D235 HydrophobicContact CE2-CB 3.91Å; Y101-D235 PolarHBondContact OH-OD2 3.28Å; Y101-F236 AromaticContact CD1-CE1 3.55Å; Y101-F236 HydrophobicContact CD1-CE1 3.55Å; Y101-F236 HydrophobicContact CD1-CZ 4.29Å; Y101-F236 HydrophobicContact CD2-CD1 4.26Å; Y101-F236 HydrophobicContact CD2-CE1 4.03Å; Y101-F236 AromaticContact CE1-CE1 3.9Å; Y101-F236 HydrophobicContact CE1-CE1 3.9Å; Y101-F236 HydrophobicContact CE2-CE1 4.35Å; Y101-F236 HydrophobicContact CG-CD1 4.25Å; Y101-F236 AromaticContact CG-CE1 3.62Å; Y101-F236 HydrophobicContact CG-CE1 3.62Å; Y101-L239 HydrophobicContact CD2-CD1 3.73Å; Y101-L239 HydrophobicContact CE2-CD1 4.13Å
102	K	91.5	Very high	75.8	Confident	129 Å²	129	90.1 Å²	90.1	56%	0.561	49%	0.492	S	S	*	.			trans	-76.1	143.5	176.1	-69.3	-178.9	179.1	175.7	0	110.1	Y114 L115 G118	K102-Y114 WeakPolarHBondContact O-CA 3.03Å; K102-L115 PolarHBondContact O-N 3.07Å; K102-G118 WeakPolarHBondContact CD-O 3.39Å
103	V	92.4	Very high	77.8	Confident	62 Å²	62	87.3 Å²	87.3	38%	0.376	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	156	172.5	-63.2	0	0	0	0	110	E112 H113 Y114	V103-E112 HydrophobicContact CB-CG 3.75Å; V103-E112 HydrophobicContact CG2-CG 3.65Å; V103-H113 CarbonylContact C-O 3.56Å; V103-H113 WeakPolarHBondContact CA-O 3.34Å; V103-H113 WeakPolarHBondContact CB-O 3.22Å; V103-Y114 HydrophobicContact CG1-CD1 3.46Å; V103-Y114 VanDerWaalsContact CG1-CD1 3.46Å; V103-Y114 HydrophobicContact CG1-CE1 3.69Å; V103-Y114 HydrophobicContact CG1-CG 4.12Å
104	G	92.2	Very high	80	Confident	11 Å²	11	83.9 Å²	83.9	11%	0.113	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	174.1	174.9	0	0	0	0	0	112.6	E112 H113	G104-E112 WeakPolarHBondContact O-CA 3.21Å; G104-H113 PolarHBondContact N-O 3.03Å; G104-H113 PolarHBondContact O-N 2.9Å
105	R	93	Very high	82.1	Confident	94 Å²	94	78.4 Å²	78.4	36%	0.355	43%	0.43	S	S	.	.			trans	-138.5	147.5	177.6	69.2	-173.3	100	165.7	8.6	109.9	S107 E112 K206	R105-S107 VanDerWaalsContact CD-O 3.28Å; R105-S107 WeakPolarHBondContact CD-O 3.32Å; R105-S107 WeakPolarHBondContact CG-O 3.4Å; R105-E112 HydrophobicContact CB-CB 4.44Å; R105-E112 IonicContact CZ-OE1 3.58Å; R105-E112 IonicContact NE-OE1 3.54Å; R105-E112 IonicContact NH2-OE1 3.58Å; R105-E112 PolarHBondContact NH2-OE1 3.27Å; R105-K206 WeakPolarHBondContact O-CE 3.4Å; R105-K206 PolarHBondContact O-NZ 2.93Å
106	I	89.9	Confident	84.2	Confident	26 Å²	26	72 Å²	72	13%	0.133	39%	0.39	C	S	.	.	S	Bend	trans	-68.4	-48.1	176	-68.5	178.4	0	0	0	110.2	L110 F121 K206 L209 Y247 F253	I106-L110 HydrophobicContact CB-CD1 3.97Å; I106-L110 HydrophobicContact CG2-CD1 4.29Å; I106-F121 HydrophobicContact CG1-CD1 4.29Å; I106-F121 HydrophobicContact CG1-CD2 4.25Å; I106-F121 HydrophobicContact CG1-CE1 4.1Å; I106-F121 HydrophobicContact CG1-CE2 4.07Å; I106-F121 HydrophobicContact CG1-CG 4.35Å; I106-F121 HydrophobicContact CG1-CZ 3.98Å; I106-K206 WeakPolarHBondContact O-CE 3.44Å; I106-K206 PolarHBondContact O-NZ 2.92Å; I106-L209 HydrophobicContact CD1-CD1 3.66Å; I106-L209 HydrophobicContact CG1-CD1 4.43Å; I106-Y247 HydrophobicContact CD1-CD1 3.8Å; I106-Y247 HydrophobicContact CD1-CD2 4.06Å; I106-Y247 HydrophobicContact CD1-CE1 3.32Å; I106-Y247 HydrophobicContact CD1-CE2 3.6Å; I106-Y247 HydrophobicContact CD1-CG 4.14Å; I106-Y247 WeakPolarHBondContact CD1-OH 3.45Å; I106-Y247 HydrophobicContact CG1-CE1 4.35Å; I106-Y247 HydrophobicContact CG1-CE2 4.28Å; I106-F253 HydrophobicContact CD1-CD1 4.46Å; I106-F253 HydrophobicContact CD1-CE1 3.6Å; I106-F253 HydrophobicContact CD1-CZ 4.23Å; I106-F253 HydrophobicContact CG2-CE1 4.28Å; I106-F253 HydrophobicContact CG2-CZ 4.13Å
107	S	88.3	Confident	85.9	Confident	41 Å²	41	69.7 Å²	69.7	29%	0.287	37%	0.369	S	S	.	.	S	Bend	trans	-136.8	166.4	177.9	63.9	0	0	0	0	111	R105 S109 L110	R105-S107 VanDerWaalsContact CD-O 3.28Å; R105-S107 WeakPolarHBondContact CD-O 3.32Å; R105-S107 WeakPolarHBondContact CG-O 3.4Å; S107-S109 PolarHBondContact O-N 3.26Å; S107-S109 PolarHBondContact OG-OG 3.06Å; S107-L110 PolarHBondContact O-N 3.34Å; S107-L110 VanDerWaalsContact O-N 3.12Å; S107-L110 WeakPolarHBondContact OG-CG 3.33Å
108	D	86.9	Confident	87.3	Confident	145 Å²	145	67.3 Å²	67.3	78%	0.775	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.3	177.8	-66.5	-33.6	0	0	0	113.6
109	S	87.7	Confident	88.7	Confident	107 Å²	107	66.1 Å²	66.1	75%	0.748	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-14.1	177.1	56	0	0	0	0	114.1	S107	S107-S109 PolarHBondContact O-N 3.26Å; S107-S109 PolarHBondContact OG-OG 3.06Å
110	L	90.4	Very high	90.6	Very high	26 Å²	26	63.2 Å²	63.2	14%	0.136	33%	0.326	C	S	.	.	S	Bend	trans	-104.7	149.3	-175.9	-67.2	175.4	0	0	0	111.2	I106 S107 Y247 F253 E256	I106-L110 HydrophobicContact CB-CD1 3.97Å; I106-L110 HydrophobicContact CG2-CD1 4.29Å; S107-L110 PolarHBondContact O-N 3.34Å; S107-L110 VanDerWaalsContact O-N 3.12Å; S107-L110 WeakPolarHBondContact OG-CG 3.33Å; L110-Y247 HydrophobicContact CD1-CE1 4.33Å; L110-F253 HydrophobicContact CD1-CD1 4.29Å; L110-E256 VanDerWaalsContact CD2-O 3.25Å; L110-E256 WeakPolarHBondContact CD2-O 3.44Å
111	P	90.8	Very high	91.6	Very high	55 Å²	55	56.2 Å²	56.2	36%	0.357	29%	0.289	S	S	.	.			trans	-68.1	144.3	-177.3	29.1	-35.8	0	0	0	112.2	H113 Y245 P257	P111-H113 PolarHBondContact O-ND1 2.7Å; P111-H113 VanDerWaalsContact O-ND1 3.11Å; P111-Y245 HydrophobicContact CG-CE1 4.29Å; P111-P257 VanDerWaalsContact CD-CD 3.48Å; P111-P257 HydrophobicContact CG-CG 3.5Å
112	E	93.4	Very high	92	Very high	104 Å²	104	54.6 Å²	54.6	49%	0.486	28%	0.283	S	S	.	.			trans	-78.2	134.7	173.3	-175.6	167.3	-91.4	0	0	110.7	V103 G104 R105	V103-E112 HydrophobicContact CB-CG 3.75Å; V103-E112 HydrophobicContact CG2-CG 3.65Å; G104-E112 WeakPolarHBondContact O-CA 3.21Å; R105-E112 HydrophobicContact CB-CB 4.44Å; R105-E112 IonicContact CZ-OE1 3.58Å; R105-E112 IonicContact NE-OE1 3.54Å; R105-E112 IonicContact NH2-OE1 3.58Å; R105-E112 PolarHBondContact NH2-OE1 3.27Å
113	H	93.9	Very high	92.1	Very high	14 Å²	14	48.6 Å²	48.6	7%	0.065	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	168.5	-178.6	58.5	-80.4	0	0	0	111.2	V103 G104 P111 F121 Y245 Y247	V103-H113 CarbonylContact C-O 3.56Å; V103-H113 WeakPolarHBondContact CA-O 3.34Å; V103-H113 WeakPolarHBondContact CB-O 3.22Å; G104-H113 PolarHBondContact N-O 3.03Å; G104-H113 PolarHBondContact O-N 2.9Å; P111-H113 PolarHBondContact O-ND1 2.7Å; P111-H113 VanDerWaalsContact O-ND1 3.11Å; H113-F121 AromaticContact CE1-CD1 3.74Å; H113-F121 AromaticContact CE1-CE1 3.57Å; H113-F121 AromaticContact NE2-CD1 3.35Å; H113-F121 VanDerWaalsContact NE2-CD1 3.35Å; H113-F121 WeakPolarHBondContact NE2-CD1 3.28Å; H113-F121 AromaticContact NE2-CE1 3.56Å; H113-Y245 HydrophobicContact CB-CD2 3.43Å; H113-Y245 VanDerWaalsContact CB-CD2 3.43Å; H113-Y245 HydrophobicContact CB-CE2 4.13Å; H113-Y245 HydrophobicContact CB-CG 3.94Å; H113-Y247 AromaticContact CE1-CE2 3.7Å; H113-Y247 AromaticContact CE1-CZ 3.9Å; H113-Y247 PolarHBondContact CE1-OH 2.7Å; H113-Y247 VanDerWaalsContact CE1-OH 3.3Å; H113-Y247 AromaticContact NE2-CE2 3.74Å
114	Y	94.3	Very high	92.1	Very high	68 Å²	68	48.3 Å²	48.3	27%	0.267	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	139.9	-176.6	-65.5	-68.6	0	0	0	112.7	K102 V103 F236 L239	K102-Y114 WeakPolarHBondContact O-CA 3.03Å; V103-Y114 HydrophobicContact CG1-CD1 3.46Å; V103-Y114 VanDerWaalsContact CG1-CD1 3.46Å; V103-Y114 HydrophobicContact CG1-CE1 3.69Å; V103-Y114 HydrophobicContact CG1-CG 4.12Å; Y114-F236 VanDerWaalsContact CB-CG 3.46Å; Y114-F236 HydrophobicContact CD1-CD1 4.29Å; Y114-F236 HydrophobicContact CD1-CE1 4.48Å; Y114-F236 HydrophobicContact CD2-CB 3.88Å; Y114-F236 HydrophobicContact CD2-CD1 4.07Å; Y114-F236 HydrophobicContact CD2-CG 4.02Å; Y114-F236 HydrophobicContact CG-CB 4.29Å; Y114-F236 AromaticContact CG-CD1 3.73Å; Y114-F236 HydrophobicContact CG-CD1 3.73Å; Y114-F236 HydrophobicContact CG-CD2 4.47Å; Y114-F236 HydrophobicContact CG-CE1 4.2Å; Y114-F236 AromaticContact CG-CG 3.9Å; Y114-F236 HydrophobicContact CG-CG 3.9Å; Y114-L239 HydrophobicContact CE2-CB 3.82Å; Y114-L239 HydrophobicContact CE2-CD1 4.4Å
115	L	94.1	Very high	91.6	Very high	18 Å²	18	48 Å²	48	9%	0.094	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-102.2	130.4	178.6	-55.9	-180	0	0	0	110.2	K102 K117 G118 F121 F236	K102-L115 PolarHBondContact O-N 3.07Å; L115-K117 PolarHBondContact O-N 3.22Å; L115-G118 WeakPolarHBondContact O-CA 2.95Å; L115-G118 PolarHBondContact O-N 2.79Å; L115-F121 HydrophobicContact CD2-CD1 3.83Å; L115-F121 HydrophobicContact CD2-CD2 4.48Å; L115-F121 HydrophobicContact CD2-CE1 3.34Å; L115-F121 HydrophobicContact CD2-CE2 4.04Å; L115-F121 HydrophobicContact CD2-CG 4.39Å; L115-F121 HydrophobicContact CD2-CZ 3.46Å; L115-F121 VanDerWaalsContact CD2-CZ 3.46Å; L115-F236 WeakPolarHBondContact O-CZ 3.32Å
116	V	93	Very high	90.5	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-65.7	132.3	174.5	171.3	0	0	0	0	109.5	G118 E119 Y120 M122 I229 L233 F236	V116-G118 PolarHBondContact O-N 2.79Å; V116-E119 PolarHBondContact O-N 2.84Å; V116-Y120 PolarHBondContact N-O 2.65Å; V116-Y120 WeakPolarHBondContact O-CD2 3.33Å; V116-Y120 PolarHBondContact O-N 2.88Å; V116-M122 HydrophobicContact CB-SD 4.37Å; V116-M122 HydrophobicContact CG2-CG 3.88Å; V116-M122 HydrophobicContact CG2-SD 3.75Å; V116-I229 HydrophobicContact CG1-CB 4.24Å; V116-I229 HydrophobicContact CG1-CD1 4.2Å; V116-I229 HydrophobicContact CG1-CG1 3.64Å; V116-I229 HydrophobicContact CG1-CG2 3.84Å; V116-I229 HydrophobicContact CG2-CG2 4.44Å; V116-L233 HydrophobicContact CG2-CD2 3.52Å; V116-L233 HydrophobicContact CG2-CG 4.32Å; V116-F236 HydrophobicContact CG2-CE2 3.87Å
117	K	91.1	Very high	89.2	Confident	83 Å²	83	46.5 Å²	46.5	36%	0.361	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	19.6	-170.1	-54.2	-67.2	-70.5	-161.2	0	113.2	L115 E119 Y120 L225 S228 E232	L115-K117 PolarHBondContact O-N 3.22Å; K117-E119 VanDerWaalsContact C-N 3.3Å; K117-E119 PolarHBondContact O-N 2.83Å; K117-Y120 HydrophobicContact CB-CD2 3.97Å; K117-Y120 HydrophobicContact CB-CE2 3.94Å; K117-Y120 HydrophobicContact CG-CD2 4.35Å; K117-Y120 HydrophobicContact CG-CE2 4.4Å; K117-L225 HydrophobicContact CD-CD1 4.17Å; K117-L225 HydrophobicContact CG-CD1 4.45Å; K117-S228 PolarHBondContact NZ-OG 3.48Å; K117-E232 PolarHBondContact N-OE2 2.91Å
118	G	90.6	Very high	87.9	Confident	14 Å²	14	50.2 Å²	50.2	14%	0.144	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	7.1	-177.9	0	0	0	0	0	116.1	K102 L115 V116	K102-G118 WeakPolarHBondContact CD-O 3.39Å; L115-G118 WeakPolarHBondContact O-CA 2.95Å; L115-G118 PolarHBondContact O-N 2.79Å; V116-G118 PolarHBondContact O-N 2.79Å
119	E	92.4	Very high	86.9	Confident	105 Å²	105	49.9 Å²	49.9	49%	0.491	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140	-22.4	-173.9	-63	-172	160.7	0	0	114.7	V116 K117	V116-E119 PolarHBondContact O-N 2.84Å; K117-E119 VanDerWaalsContact C-N 3.3Å; K117-E119 PolarHBondContact O-N 2.83Å
120	Y	95	Very high	86.4	Confident	31 Å²	31	45.7 Å²	45.7	12%	0.122	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	146.2	-167	-49.8	-56.7	0	0	0	113.9	V116 K117 P203 R204 R205 L213	V116-Y120 PolarHBondContact N-O 2.65Å; V116-Y120 WeakPolarHBondContact O-CD2 3.33Å; V116-Y120 PolarHBondContact O-N 2.88Å; K117-Y120 HydrophobicContact CB-CD2 3.97Å; K117-Y120 HydrophobicContact CB-CE2 3.94Å; K117-Y120 HydrophobicContact CG-CD2 4.35Å; K117-Y120 HydrophobicContact CG-CE2 4.4Å; Y120-P203 HydrophobicContact CD2-CB 4.44Å; Y120-P203 HydrophobicContact CG-CB 4.21Å; Y120-R204 WeakPolarHBondContact CA-O 3.27Å; Y120-R205 HydrophobicContact CD1-CG 3.88Å; Y120-R205 HydrophobicContact CE1-CG 3.66Å; Y120-L213 HydrophobicContact CD1-CD2 3.83Å; Y120-L213 HydrophobicContact CD2-CD1 4.23Å; Y120-L213 HydrophobicContact CE1-CD1 4.45Å; Y120-L213 HydrophobicContact CE1-CD2 3.66Å; Y120-L213 HydrophobicContact CE2-CD1 4.13Å; Y120-L213 HydrophobicContact CG-CD1 4.43Å; Y120-L213 HydrophobicContact CG-CD2 4.5Å
121	F	95.3	Very high	86.3	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.022	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	142	171.2	-65.6	-80	0	0	0	110.4	I106 H113 L115 P203 R204 K206 L209 Y247	I106-F121 HydrophobicContact CG1-CD1 4.29Å; I106-F121 HydrophobicContact CG1-CD2 4.25Å; I106-F121 HydrophobicContact CG1-CE1 4.1Å; I106-F121 HydrophobicContact CG1-CE2 4.07Å; I106-F121 HydrophobicContact CG1-CG 4.35Å; I106-F121 HydrophobicContact CG1-CZ 3.98Å; H113-F121 AromaticContact CE1-CD1 3.74Å; H113-F121 AromaticContact CE1-CE1 3.57Å; H113-F121 AromaticContact NE2-CD1 3.35Å; H113-F121 VanDerWaalsContact NE2-CD1 3.35Å; H113-F121 WeakPolarHBondContact NE2-CD1 3.28Å; H113-F121 AromaticContact NE2-CE1 3.56Å; L115-F121 HydrophobicContact CD2-CD1 3.83Å; L115-F121 HydrophobicContact CD2-CD2 4.48Å; L115-F121 HydrophobicContact CD2-CE1 3.34Å; L115-F121 HydrophobicContact CD2-CE2 4.04Å; L115-F121 HydrophobicContact CD2-CG 4.39Å; L115-F121 HydrophobicContact CD2-CZ 3.46Å; L115-F121 VanDerWaalsContact CD2-CZ 3.46Å; F121-P203 CarbonylContact O-C 3.6Å; F121-P203 WeakPolarHBondContact O-CA 3.35Å; F121-R204 PolarHBondContact N-O 3.44Å; F121-R204 PolarHBondContact O-N 3.12Å; F121-K206 HydrophobicContact CD2-CB 4.34Å; F121-K206 HydrophobicContact CE2-CB 3.83Å; F121-K206 HydrophobicContact CE2-CD 4.29Å; F121-K206 HydrophobicContact CE2-CG 4Å; F121-L209 HydrophobicContact CB-CD2 4.24Å; F121-L209 HydrophobicContact CD2-CD2 4.35Å; F121-Y247 HydrophobicContact CB-CD2 4.27Å; F121-Y247 HydrophobicContact CB-CE2 4.31Å; F121-Y247 AromaticContact CD1-CE2 3.75Å; F121-Y247 HydrophobicContact CD1-CE2 3.75Å; F121-Y247 HydrophobicContact CE1-CE2 4.47Å; F121-Y247 HydrophobicContact CG-CE2 4.3Å
122	M	95.8	Very high	86.2	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.025	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121	176	-65.2	-53.2	-60	0	0	110.7	V116 V190 P203 I229 L233 V246 Y247	V116-M122 HydrophobicContact CB-SD 4.37Å; V116-M122 HydrophobicContact CG2-CG 3.88Å; V116-M122 HydrophobicContact CG2-SD 3.75Å; M122-V190 HydrophobicContact CE-CG2 3.38Å; M122-P203 HydrophobicContact SD-CB 4.01Å; M122-I229 HydrophobicContact SD-CG2 4.39Å; M122-L233 HydrophobicContact CE-CD1 4.49Å; M122-L233 HydrophobicContact CG-CD1 4.5Å; M122-L233 HydrophobicContact CG-CD2 3.91Å; M122-V246 HydrophobicContact CB-CG1 4.07Å; M122-Y247 PolarHBondContact O-N 3.15Å
123	V	94.5	Very high	86	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.2	-176.7	-177.7	0	0	0	0	110	D125 Y201 T202 R204 L209 Y247 I250	V123-D125 PolarHBondContact O-N 2.94Å; V123-Y201 VanDerWaalsContact C-CD1 3.47Å; V123-Y201 CarbonylContact O-C 3.24Å; V123-Y201 VanDerWaalsContact O-CA 3.28Å; V123-Y201 WeakPolarHBondContact O-CA 3.47Å; V123-T202 PolarHBondContact N-O 3.17Å; V123-T202 PolarHBondContact O-N 3.44Å; V123-R204 HydrophobicContact CB-CB 4.5Å; V123-R204 HydrophobicContact CB-CG 3.66Å; V123-R204 HydrophobicContact CG1-CG 4.47Å; V123-R204 HydrophobicContact CG2-CB 3.76Å; V123-R204 HydrophobicContact CG2-CG 3.46Å; V123-R204 VanDerWaalsContact CG2-CG 3.46Å; V123-L209 HydrophobicContact CG2-CD2 4.15Å; V123-Y247 CarbonylContact C-O 3.57Å; V123-Y247 WeakPolarHBondContact CA-O 3.39Å; V123-I250 HydrophobicContact CG1-CD1 4.35Å; V123-I250 HydrophobicContact CG1-CG2 3.57Å; V123-I250 HydrophobicContact CG2-CG2 4.23Å
124	Q	92.5	Very high	85.9	Confident	56 Å²	56	49.6 Å²	49.6	26%	0.262	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	131.4	176.3	-169.3	179.4	2.5	0	0	109.7	V199 Y201 Y247 N248	Q124-V199 HydrophobicContact CG-CG1 4.04Å; Q124-Y201 HydrophobicContact CB-CD1 4.08Å; Q124-Y201 HydrophobicContact CB-CE1 3.63Å; Q124-Y201 HydrophobicContact CG-CE1 4.22Å; Q124-Y201 VanDerWaalsContact N-CD1 3.33Å; Q124-Y247 PolarHBondContact N-O 3.33Å; Q124-N248 HydrophobicContact CB-CB 4.34Å; Q124-N248 VanDerWaalsContact OE1-CB 3.26Å; Q124-N248 PolarHBondContact OE1-OD1 3.09Å
125	D	80.9	Confident	85.8	Confident	5 Å²	5	47 Å²	47	3%	0.027	26%	0.258	C	S	.	.	S	Bend	trans	-76.4	-36.9	-158.8	-170.3	56.1	0	0	0	115.3	V123 Q158 R185 P200 T202 R204 Q334	V123-D125 PolarHBondContact O-N 2.94Å; D125-Q158 WeakPolarHBondContact OD2-CB 3.31Å; D125-Q158 VanDerWaalsContact OD2-CG 3.29Å; D125-Q158 WeakPolarHBondContact OD2-CG 2.93Å; D125-R185 VanDerWaalsContact CG-NH1 3.33Å; D125-R185 VanDerWaalsContact CG-NH2 3.32Å; D125-R185 IonicContact OD1-CZ 3.64Å; D125-R185 IonicContact OD1-NH1 2.83Å; D125-R185 IonicContact OD1-NH2 2.72Å; D125-R185 PolarHBondContact OD1-NH2 3.42Å; D125-R185 IonicContact OD2-CZ 3.55Å; D125-R185 VanDerWaalsContact OD2-CZ 3.26Å; D125-R185 IonicContact OD2-NH1 3.95Å; D125-R185 PolarHBondContact OD2-NH1 3.38Å; D125-R185 IonicContact OD2-NH2 3.49Å; D125-R185 PolarHBondContact OD2-NH2 3.33Å; D125-P200 HydrophobicContact CB-CB 4.14Å; D125-P200 HydrophobicContact CB-CG 4.26Å; D125-P200 WeakPolarHBondContact CB-O 3.46Å; D125-P200 PolarHBondContact N-O 3.15Å; D125-T202 HydrophobicContact CB-CG2 4.31Å; D125-T202 WeakPolarHBondContact OD1-CG2 3.39Å; D125-T202 PolarHBondContact OD1-OG1 3.5Å; D125-R204 IonicContact OD1-NH2 2.64Å; D125-Q334 PolarHBondContact O-NE2 3.36Å; D125-Q334 WeakPolarHBondContact OD2-CG 3.28Å
126	V	69.7	Low	85.6	Confident	28 Å²	28	49.2 Å²	49.2	17%	0.17	27%	0.272	C	S	.	.			trans	-124.5	115.8	-178.9	-174.9	0	0	0	0	109.2	A130 P142 Q158 Q334	V126-A130 HydrophobicContact CG1-CB 3.75Å; V126-P142 HydrophobicContact CG1-CB 4.42Å; V126-P142 HydrophobicContact CG1-CG 4.21Å; V126-Q158 HydrophobicContact CG2-CB 3.82Å; V126-Q334 WeakPolarHBondContact CG2-O 3.19Å
127	S	62.5	Low	85.4	Confident	61 Å²	61	54.3 Å²	54.3	43%	0.427	31%	0.308	S	S	.	.			trans	-80.3	153.2	167.1	71.6	0	0	0	0	110	K129 A130	S127-K129 PolarHBondContact O-N 3.09Å; S127-A130 WeakPolarHBondContact O-CB 3.37Å; S127-A130 PolarHBondContact O-N 2.98Å
128	S	60.3	Low	85.3	Confident	119 Å²	119	53.8 Å²	53.8	83%	0.832	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-54.9	-21.9	-178.6	51.7	0	0	0	0	114.4	A130	S128-A130 VanDerWaalsContact C-N 3.29Å; S128-A130 PolarHBondContact O-N 3.36Å
129	K	67.1	Low	85.3	Confident	137 Å²	137	56.8 Å²	56.8	60%	0.596	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-74.5	-14.7	178.6	-60.7	-177.6	-172.1	172.7	0	114.2	S127 E251	S127-K129 PolarHBondContact O-N 3.09Å; K129-E251 IonicContact NZ-OE1 3.59Å; K129-E251 PolarHBondContact NZ-OE1 3.35Å; K129-E251 IonicContact NZ-OE2 2.77Å; K129-E251 PolarHBondContact NZ-OE2 3.5Å
130	A	77.2	Confident	85.3	Confident	19 Å²	19	52 Å²	52	16%	0.157	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-81.7	-15.8	-174.6	0	0	0	0	0	113.4	V126 S127 S128 V132 N143 V335	V126-A130 HydrophobicContact CG1-CB 3.75Å; S127-A130 WeakPolarHBondContact O-CB 3.37Å; S127-A130 PolarHBondContact O-N 2.98Å; S128-A130 VanDerWaalsContact C-N 3.29Å; S128-A130 PolarHBondContact O-N 3.36Å; A130-V132 PolarHBondContact O-N 3.38Å; A130-N143 PolarHBondContact O-ND2 3.21Å; A130-V335 HydrophobicContact CB-CG1 3.92Å; A130-V335 HydrophobicContact CB-CG2 4.39Å; A130-V335 WeakPolarHBondContact O-CG1 3.29Å
131	D	86.9	Confident	85.2	Confident	14 Å²	14	50.6 Å²	50.6	8%	0.075	30%	0.296	C	S	.	.			trans	-90.9	79.5	179.7	-174.3	18.7	0	0	0	111.9	L133 N134 T135 T136 P142 N143	D131-L133 VanDerWaalsContact C-N 3.27Å; D131-L133 PolarHBondContact O-N 3.03Å; D131-N134 PolarHBondContact O-N 3.25Å; D131-N134 VanDerWaalsContact O-N 3.16Å; D131-N134 PolarHBondContact OD1-N 2.98Å; D131-N134 WeakPolarHBondContact OD2-CA 3.22Å; D131-T135 VanDerWaalsContact CG-N 3.35Å; D131-T135 PolarHBondContact OD1-N 2.93Å; D131-T135 VanDerWaalsContact OD1-N 3.09Å; D131-T135 PolarHBondContact OD1-OG1 3.37Å; D131-T135 PolarHBondContact OD2-N 3.4Å; D131-T136 VanDerWaalsContact CG-OG1 3.31Å; D131-T136 VanDerWaalsContact OD2-CB 3.25Å; D131-T136 WeakPolarHBondContact OD2-CB 3.47Å; D131-T136 PolarHBondContact OD2-N 2.81Å; D131-T136 PolarHBondContact OD2-OG1 2.85Å; D131-P142 HydrophobicContact CB-CB 3.8Å; D131-P142 WeakPolarHBondContact OD1-CA 3.4Å; D131-N143 PolarHBondContact OD1-N 2.89Å
132	V	88.6	Confident	85.2	Confident	99 Å²	99	50.5 Å²	50.5	60%	0.6	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-34.3	-178.5	-173	0	0	0	0	111.9	A130 N134 N143 M406	A130-V132 PolarHBondContact O-N 3.38Å; V132-N134 VanDerWaalsContact C-N 3.3Å; V132-N134 PolarHBondContact O-ND2 3.25Å; V132-N143 PolarHBondContact N-OD1 3.19Å; V132-M406 HydrophobicContact CB-CE 3.96Å; V132-M406 HydrophobicContact CG2-CE 4.13Å
133	L	90.4	Very high	85.1	Confident	52 Å²	52	50.2 Å²	50.2	27%	0.272	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.2	179.1	-58.5	-178	0	0	0	113.6	D131 T135 N143 R145 M406	D131-L133 VanDerWaalsContact C-N 3.27Å; D131-L133 PolarHBondContact O-N 3.03Å; L133-T135 VanDerWaalsContact C-N 3.27Å; L133-T135 HydrophobicContact CB-CG2 3.75Å; L133-T135 PolarHBondContact O-N 3.35Å; L133-N143 HydrophobicContact CD1-CB 4.44Å; L133-N143 PolarHBondContact N-OD1 3.41Å; L133-N143 VanDerWaalsContact N-OD1 3.09Å; L133-R145 HydrophobicContact CD1-CB 4.14Å; L133-M406 HydrophobicContact CD1-CG 4.32Å; L133-M406 HydrophobicContact CD1-SD 3.76Å; L133-M406 HydrophobicContact CD2-SD 3.68Å; L133-M406 HydrophobicContact CG-CE 4.43Å; L133-M406 HydrophobicContact CG-SD 3.55Å; L133-M406 VanDerWaalsContact CG-SD 3.55Å
134	N	91.3	Very high	85.1	Confident	117 Å²	117	50.7 Å²	50.7	63%	0.626	30%	0.297	S	S	*	.			trans	52.8	43.1	-177.8	-59.7	-74.8	0	0	0	113.1	D131 V132	D131-N134 PolarHBondContact O-N 3.25Å; D131-N134 VanDerWaalsContact O-N 3.16Å; D131-N134 PolarHBondContact OD1-N 2.98Å; D131-N134 WeakPolarHBondContact OD2-CA 3.22Å; V132-N134 VanDerWaalsContact C-N 3.3Å; V132-N134 PolarHBondContact O-ND2 3.25Å
135	T	92.9	Very high	85.2	Confident	12 Å²	12	48.6 Å²	48.6	7%	0.074	29%	0.286	C	S	.	.			trans	-96.6	-11.6	-174.3	49.2	0	0	0	0	113.6	D131 L133 S137 S138 Y139 A141 N143 F144	D131-T135 VanDerWaalsContact CG-N 3.35Å; D131-T135 PolarHBondContact OD1-N 2.93Å; D131-T135 VanDerWaalsContact OD1-N 3.09Å; D131-T135 PolarHBondContact OD1-OG1 3.37Å; D131-T135 PolarHBondContact OD2-N 3.4Å; L133-T135 VanDerWaalsContact C-N 3.27Å; L133-T135 HydrophobicContact CB-CG2 3.75Å; L133-T135 PolarHBondContact O-N 3.35Å; T135-S137 VanDerWaalsContact C-N 3.34Å; T135-S137 PolarHBondContact O-N 2.87Å; T135-S138 PolarHBondContact O-N 3.48Å; T135-S138 PolarHBondContact O-OG 2.82Å; T135-Y139 HydrophobicContact CG2-CD2 3.93Å; T135-Y139 HydrophobicContact CG2-CE2 4.23Å; T135-Y139 WeakPolarHBondContact O-CA 3.47Å; T135-Y139 WeakPolarHBondContact O-CB 3.46Å; T135-Y139 PolarHBondContact O-N 3.15Å; T135-A141 CarbonylContact C-O 3.39Å; T135-A141 PolarHBondContact OG1-O 3.26Å; T135-N143 VanDerWaalsContact OG1-CA 3.29Å; T135-N143 WeakPolarHBondContact OG1-CA 3.21Å; T135-N143 PolarHBondContact OG1-N 3.5Å; T135-F144 WeakPolarHBondContact CG2-O 3.23Å; T135-F144 PolarHBondContact OG1-N 2.86Å
136	T	90.2	Very high	85.9	Confident	65 Å²	65	52.1 Å²	52.1	40%	0.399	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-43.4	-179.8	-54.4	0	0	0	0	111.7	D131 G140 A141 P142	D131-T136 VanDerWaalsContact CG-OG1 3.31Å; D131-T136 VanDerWaalsContact OD2-CB 3.25Å; D131-T136 WeakPolarHBondContact OD2-CB 3.47Å; D131-T136 PolarHBondContact OD2-N 2.81Å; D131-T136 PolarHBondContact OD2-OG1 2.85Å; T136-G140 WeakPolarHBondContact O-CA 3.38Å; T136-G140 PolarHBondContact O-N 3.02Å; T136-A141 PolarHBondContact N-O 2.72Å; T136-P142 WeakPolarHBondContact OG1-CA 3.13Å
137	S	87.6	Confident	87	Confident	111 Å²	111	51 Å²	51	78%	0.776	30%	0.296	S	S	*	.	H	α-helix	trans	-72.7	-28.6	-178.5	57.1	0	0	0	0	113.6	T135	T135-S137 VanDerWaalsContact C-N 3.34Å; T135-S137 PolarHBondContact O-N 2.87Å
138	S	89.8	Confident	88.1	Confident	72 Å²	72	53.2 Å²	53.2	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-100.4	-29.6	-173.3	47.3	0	0	0	0	113.7	T135	T135-S138 PolarHBondContact O-N 3.48Å; T135-S138 PolarHBondContact O-OG 2.82Å
139	Y	90.6	Very high	89	Confident	76 Å²	76	50.3 Å²	50.3	30%	0.298	29%	0.287	S	S	.	.	H	α-helix	trans	-120.8	-8.8	-176.9	-63	-87.9	0	0	0	113.4	T135 A141 F144 V167 R170	T135-Y139 HydrophobicContact CG2-CD2 3.93Å; T135-Y139 HydrophobicContact CG2-CE2 4.23Å; T135-Y139 WeakPolarHBondContact O-CA 3.47Å; T135-Y139 WeakPolarHBondContact O-CB 3.46Å; T135-Y139 PolarHBondContact O-N 3.15Å; Y139-A141 VanDerWaalsContact C-N 3.29Å; Y139-A141 PolarHBondContact O-N 3.19Å; Y139-F144 AromaticContact CD1-CD1 3.61Å; Y139-F144 HydrophobicContact CD1-CD1 3.61Å; Y139-F144 AromaticContact CD1-CE1 3.8Å; Y139-F144 HydrophobicContact CD1-CE1 3.8Å; Y139-F144 HydrophobicContact CD2-CD1 4.42Å; Y139-F144 HydrophobicContact CE1-CD1 4.26Å; Y139-F144 HydrophobicContact CE1-CE1 4.3Å; Y139-F144 AromaticContact CG-CD1 3.71Å; Y139-F144 HydrophobicContact CG-CD1 3.71Å; Y139-F144 HydrophobicContact CG-CE1 4.36Å; Y139-F144 HydrophobicContact CG-CG 4.43Å; Y139-V167 WeakPolarHBondContact O-CG2 3.29Å; Y139-R170 HydrophobicContact CD1-CG 4.44Å
140	G	91.4	Very high	89.5	Confident	6 Å²	6	47.6 Å²	47.6	6%	0.062	29%	0.29	C	S	.	.	S	Bend	trans	83	-0.7	-178.7	0	0	0	0	0	114.5	T136 G163	T136-G140 WeakPolarHBondContact O-CA 3.38Å; T136-G140 PolarHBondContact O-N 3.02Å; G140-G163 CarbonylContact O-C 3.41Å; G140-G163 WeakPolarHBondContact O-CA 3.45Å
141	A	94.1	Very high	90	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-139.8	143	-179.5	0	0	0	0	0	111.8	T135 T136 Y139 F144 M156 P159 V167	T135-A141 CarbonylContact C-O 3.39Å; T135-A141 PolarHBondContact OG1-O 3.26Å; T136-A141 PolarHBondContact N-O 2.72Å; Y139-A141 VanDerWaalsContact C-N 3.29Å; Y139-A141 PolarHBondContact O-N 3.19Å; A141-F144 HydrophobicContact CB-CB 4.27Å; A141-M156 HydrophobicContact CB-CB 4.17Å; A141-M156 HydrophobicContact CB-CE 3.56Å; A141-M156 HydrophobicContact CB-SD 4.15Å; A141-P159 HydrophobicContact CB-CB 3.98Å; A141-V167 HydrophobicContact CB-CG2 3.69Å
142	P	94	Very high	90.2	Very high	3 Å²	3	48 Å²	48	2%	0.019	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	145.5	177.5	28.7	-34.3	0	0	0	111.4	V126 D131 T136 F144 G157 Q158	V126-P142 HydrophobicContact CG1-CB 4.42Å; V126-P142 HydrophobicContact CG1-CG 4.21Å; D131-P142 HydrophobicContact CB-CB 3.8Å; D131-P142 WeakPolarHBondContact OD1-CA 3.4Å; T136-P142 WeakPolarHBondContact OG1-CA 3.13Å; P142-F144 PolarHBondContact O-N 3.38Å; P142-G157 PolarHBondContact O-N 3.14Å; P142-Q158 WeakPolarHBondContact CD-O 3.44Å
143	N	94	Very high	90.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.9	32.9	-178.3	-56.8	-51.2	0	0	0	115.6	A130 D131 V132 L133 T135 R145 V335 M406	A130-N143 PolarHBondContact O-ND2 3.21Å; D131-N143 PolarHBondContact OD1-N 2.89Å; V132-N143 PolarHBondContact N-OD1 3.19Å; L133-N143 HydrophobicContact CD1-CB 4.44Å; L133-N143 PolarHBondContact N-OD1 3.41Å; L133-N143 VanDerWaalsContact N-OD1 3.09Å; T135-N143 VanDerWaalsContact OG1-CA 3.29Å; T135-N143 WeakPolarHBondContact OG1-CA 3.21Å; T135-N143 PolarHBondContact OG1-N 3.5Å; N143-R145 PolarHBondContact O-N 3.22Å; N143-R145 PolarHBondContact O-NH1 3.45Å; N143-V335 PolarHBondContact ND2-O 3.28Å; N143-M406 HydrophobicContact CB-CE 4.05Å; N143-M406 WeakPolarHBondContact OD1-CE 3.06Å
144	F	95.1	Very high	90.8	Very high	13 Å²	13	41.1 Å²	41.1	6%	0.057	25%	0.248	C	C	.	.			trans	-67.7	119.6	177.9	179.9	-94.3	0	0	0	110.7	T135 Y139 A141 P142 Y154 G155 M156 V167 L171	T135-F144 WeakPolarHBondContact CG2-O 3.23Å; T135-F144 PolarHBondContact OG1-N 2.86Å; Y139-F144 AromaticContact CD1-CD1 3.61Å; Y139-F144 HydrophobicContact CD1-CD1 3.61Å; Y139-F144 AromaticContact CD1-CE1 3.8Å; Y139-F144 HydrophobicContact CD1-CE1 3.8Å; Y139-F144 HydrophobicContact CD2-CD1 4.42Å; Y139-F144 HydrophobicContact CE1-CD1 4.26Å; Y139-F144 HydrophobicContact CE1-CE1 4.3Å; Y139-F144 AromaticContact CG-CD1 3.71Å; Y139-F144 HydrophobicContact CG-CD1 3.71Å; Y139-F144 HydrophobicContact CG-CE1 4.36Å; Y139-F144 HydrophobicContact CG-CG 4.43Å; A141-F144 HydrophobicContact CB-CB 4.27Å; P142-F144 PolarHBondContact O-N 3.38Å; F144-Y154 HydrophobicContact CE1-CD1 4.16Å; F144-Y154 HydrophobicContact CE2-CD1 4.26Å; F144-Y154 AromaticContact CZ-CD1 3.63Å; F144-Y154 HydrophobicContact CZ-CD1 3.63Å; F144-Y154 HydrophobicContact CZ-CE1 4.22Å; F144-Y154 HydrophobicContact CZ-CG 4.29Å; F144-G155 CarbonylContact C-O 3.59Å; F144-G155 WeakPolarHBondContact CA-O 3.35Å; F144-M156 HydrophobicContact CB-CB 4.28Å; F144-M156 HydrophobicContact CD2-CB 3.98Å; F144-M156 HydrophobicContact CD2-CG 4.49Å; F144-M156 HydrophobicContact CD2-SD 4.08Å; F144-M156 HydrophobicContact CE2-SD 4.5Å; F144-V167 HydrophobicContact CD2-CG1 4.06Å; F144-V167 HydrophobicContact CD2-CG2 4.2Å; F144-V167 HydrophobicContact CE2-CG1 3.51Å; F144-V167 HydrophobicContact CE2-CG2 4.42Å; F144-V167 HydrophobicContact CZ-CG1 4.18Å; F144-L171 HydrophobicContact CZ-CD2 4.37Å
145	R	94.8	Very high	91.1	Very high	12 Å²	12	35.6 Å²	35.6	5%	0.045	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.6	-177.8	67.6	-170.5	-179.5	-76.2	3.2	112.3	L133 N143 Y154 G155 G336 M344 M406	L133-R145 HydrophobicContact CD1-CB 4.14Å; N143-R145 PolarHBondContact O-N 3.22Å; N143-R145 PolarHBondContact O-NH1 3.45Å; R145-Y154 CarbonylContact O-C 3.19Å; R145-Y154 WeakPolarHBondContact O-CA 3.37Å; R145-G155 PolarHBondContact N-O 2.89Å; R145-G155 PolarHBondContact O-N 3.13Å; R145-G336 PolarHBondContact NH1-O 2.92Å; R145-G336 PolarHBondContact NH2-O 2.84Å; R145-G336 VanDerWaalsContact NH2-O 3.09Å; R145-M344 HydrophobicContact CG-CE 4.48Å; R145-M406 VanDerWaalsContact CZ-CG 3.42Å
146	Q	94.6	Very high	91.2	Very high	78 Å²	78	35 Å²	35	36%	0.364	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	145.2	167.7	-165.6	175.8	-10.8	0	0	109.4	Y151 L153 Y154	Q146-Y151 PolarHBondContact NE2-O 3.14Å; Q146-L153 CarbonylContact C-O 3.57Å; Q146-L153 WeakPolarHBondContact CA-O 3.46Å; Q146-L153 WeakPolarHBondContact CG-O 3.42Å; Q146-Y154 HydrophobicContact CB-CD1 3.7Å; Q146-Y154 HydrophobicContact CB-CE1 3.5Å; Q146-Y154 VanDerWaalsContact CB-CE1 3.5Å; Q146-Y154 HydrophobicContact CG-CD1 3.99Å; Q146-Y154 HydrophobicContact CG-CE1 3.6Å; Q146-Y154 HydrophobicContact CG-CE2 4.24Å; Q146-Y154 HydrophobicContact CG-CG 4.46Å; Q146-Y154 PolarHBondContact OE1-OH 3.28Å
147	V	92.8	Very high	91.4	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.03	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-57.8	144.9	169.4	71.4	0	0	0	0	110.4	L153 M344 L402 C403	V147-L153 HydrophobicContact CB-CD2 3.81Å; V147-L153 HydrophobicContact CG1-CB 3.79Å; V147-L153 HydrophobicContact CG1-CD2 4Å; V147-L153 HydrophobicContact CG1-CG 4.46Å; V147-L153 PolarHBondContact N-O 3.2Å; V147-M344 HydrophobicContact CB-CE 3.81Å; V147-M344 HydrophobicContact CG2-CE 4.44Å; V147-L402 HydrophobicContact CG2-CB 3.8Å; V147-L402 WeakPolarHBondContact CG2-O 3.47Å; V147-C403 VanDerWaalsContact CG2-SG 3.56Å
148	K	86.6	Confident	91.7	Very high	107 Å²	107	26.8 Å²	26.8	47%	0.465	16%	0.159	S	C	.	.	S	Bend	trans	-62.6	141.9	175.2	-63.6	176.7	-179.6	173.3	0	109.5	L402	K148-L402 HydrophobicContact CB-CB 4.49Å; K148-L402 HydrophobicContact CB-CD2 4.13Å; K148-L402 WeakPolarHBondContact CB-O 3.48Å; K148-L402 PolarHBondContact N-O 3.24Å; K148-L402 VanDerWaalsContact N-O 3.1Å; K148-L402 WeakPolarHBondContact O-CD2 3.44Å
149	G	78.7	Confident	92	Very high	59 Å²	59	23.5 Å²	23.5	61%	0.608	14%	0.136	S	C	*	.	S	Bend	trans	99.3	-163.9	-176.9	0	0	0	0	0	113.7
150	A	78.4	Confident	92.2	Very high	79 Å²	79	21.9 Å²	21.9	65%	0.653	13%	0.134	S	C	*	.	S	Bend	trans	-99	26.5	-169.7	0	0	0	0	0	114	K355	A150-K355 PolarHBondContact O-NZ 3.03Å
151	Y	88	Confident	92.4	Very high	31 Å²	31	22.6 Å²	22.6	12%	0.122	14%	0.136	C	C	.	.			trans	-96.8	132	178.5	-61.3	-61.8	0	0	0	110.4	Q146 L153 T348 M351 K355 L402	Q146-Y151 PolarHBondContact NE2-O 3.14Å; Y151-L153 PolarHBondContact O-N 3.4Å; Y151-T348 HydrophobicContact CD2-CG2 4.26Å; Y151-T348 HydrophobicContact CE2-CG2 4.16Å; Y151-M351 HydrophobicContact CD1-CB 3.54Å; Y151-M351 HydrophobicContact CD1-CG 4.2Å; Y151-M351 HydrophobicContact CE1-CB 3.75Å; Y151-M351 HydrophobicContact CG-CB 4.13Å; Y151-K355 HydrophobicContact CD1-CD 4.2Å; Y151-K355 HydrophobicContact CE1-CD 3.64Å; Y151-K355 HydrophobicContact CE1-CG 4.31Å; Y151-L402 HydrophobicContact CD2-CD1 4.43Å; Y151-L402 HydrophobicContact CE2-CD1 4.13Å
152	P	91.3	Very high	92.5	Very high	11 Å²	11	25 Å²	25	7%	0.071	15%	0.149	C	C	.	.			trans	-77.6	64.2	175	34.4	-35.6	0	0	0	109.9	P326 T328 L329 M351	P152-P326 HydrophobicContact CG-CB 4.46Å; P152-P326 HydrophobicContact CG-CG 4.01Å; P152-T328 CarbonylContact O-C 3.51Å; P152-T328 VanDerWaalsContact O-CA 3.23Å; P152-T328 WeakPolarHBondContact O-CA 3.2Å; P152-L329 PolarHBondContact O-N 3.09Å; P152-M351 HydrophobicContact CG-CE 4.29Å
153	L	94.9	Very high	92.6	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.7	-174.2	-177.6	154.3	0	0	0	109.1	Q146 V147 Y151 L329 F331 M344	Q146-L153 CarbonylContact C-O 3.57Å; Q146-L153 WeakPolarHBondContact CA-O 3.46Å; Q146-L153 WeakPolarHBondContact CG-O 3.42Å; V147-L153 HydrophobicContact CB-CD2 3.81Å; V147-L153 HydrophobicContact CG1-CB 3.79Å; V147-L153 HydrophobicContact CG1-CD2 4Å; V147-L153 HydrophobicContact CG1-CG 4.46Å; V147-L153 PolarHBondContact N-O 3.2Å; Y151-L153 PolarHBondContact O-N 3.4Å; L153-L329 CarbonylContact C-O 3.59Å; L153-L329 WeakPolarHBondContact CA-O 3.46Å; L153-L329 HydrophobicContact CD1-CD1 4.35Å; L153-L329 HydrophobicContact CG-CB 4.42Å; L153-F331 HydrophobicContact CD1-CE2 4.04Å; L153-F331 HydrophobicContact CD2-CE2 4.42Å; L153-F331 HydrophobicContact CG-CD2 4.48Å; L153-F331 HydrophobicContact CG-CE2 4.01Å; L153-M344 HydrophobicContact CD2-CB 3.62Å; L153-M344 HydrophobicContact CD2-CE 3.71Å; L153-M344 HydrophobicContact CD2-CG 3.62Å
154	Y	96.6	Very high	92.7	Very high	7 Å²	7	25.1 Å²	25.1	3%	0.027	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.9	-170.2	-60.2	-99	0	0	0	111.3	F144 R145 Q146 L171 T328 L329 V330 F331	F144-Y154 HydrophobicContact CE1-CD1 4.16Å; F144-Y154 HydrophobicContact CE2-CD1 4.26Å; F144-Y154 AromaticContact CZ-CD1 3.63Å; F144-Y154 HydrophobicContact CZ-CD1 3.63Å; F144-Y154 HydrophobicContact CZ-CE1 4.22Å; F144-Y154 HydrophobicContact CZ-CG 4.29Å; R145-Y154 CarbonylContact O-C 3.19Å; R145-Y154 WeakPolarHBondContact O-CA 3.37Å; Q146-Y154 HydrophobicContact CB-CD1 3.7Å; Q146-Y154 HydrophobicContact CB-CE1 3.5Å; Q146-Y154 VanDerWaalsContact CB-CE1 3.5Å; Q146-Y154 HydrophobicContact CG-CD1 3.99Å; Q146-Y154 HydrophobicContact CG-CE1 3.6Å; Q146-Y154 HydrophobicContact CG-CE2 4.24Å; Q146-Y154 HydrophobicContact CG-CG 4.46Å; Q146-Y154 PolarHBondContact OE1-OH 3.28Å; Y154-L171 HydrophobicContact CD1-CD2 4.35Å; Y154-L171 HydrophobicContact CD2-CD2 4.11Å; Y154-L171 HydrophobicContact CE1-CD2 4.08Å; Y154-L171 HydrophobicContact CE2-CD2 3.83Å; Y154-L171 HydrophobicContact CG-CD2 4.38Å; Y154-T328 HydrophobicContact CD2-CG2 3.56Å; Y154-T328 HydrophobicContact CE2-CG2 3.62Å; Y154-L329 PolarHBondContact N-O 3.3Å; Y154-V330 WeakPolarHBondContact O-CA 3.22Å; Y154-F331 PolarHBondContact O-N 3.13Å
155	G	96.5	Very high	92.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.6	173.8	0	0	0	0	0	111.2	F144 R145 F331	F144-G155 CarbonylContact C-O 3.59Å; F144-G155 WeakPolarHBondContact CA-O 3.35Å; R145-G155 PolarHBondContact N-O 2.89Å; R145-G155 PolarHBondContact O-N 3.13Å; G155-F331 CarbonylContact C-O 3.44Å; G155-F331 WeakPolarHBondContact CA-O 3.2Å
156	M	95.9	Very high	92.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	163.5	177.2	54	-174.2	-90.9	0	0	111.8	A141 F144 P159 F164 V167 F181 V330 F331 S332 C333 G336 T340	A141-M156 HydrophobicContact CB-CB 4.17Å; A141-M156 HydrophobicContact CB-CE 3.56Å; A141-M156 HydrophobicContact CB-SD 4.15Å; F144-M156 HydrophobicContact CB-CB 4.28Å; F144-M156 HydrophobicContact CD2-CB 3.98Å; F144-M156 HydrophobicContact CD2-CG 4.49Å; F144-M156 HydrophobicContact CD2-SD 4.08Å; F144-M156 HydrophobicContact CE2-SD 4.5Å; M156-P159 HydrophobicContact CE-CB 3.92Å; M156-P159 VanDerWaalsContact CE-CD 3.41Å; M156-P159 HydrophobicContact CE-CG 3.39Å; M156-F164 HydrophobicContact CE-CD2 4.46Å; M156-V167 HydrophobicContact CE-CG2 4.44Å; M156-V167 HydrophobicContact SD-CG1 4.12Å; M156-V167 HydrophobicContact SD-CG2 4.31Å; M156-F181 HydrophobicContact CE-CE2 4.49Å; M156-F181 HydrophobicContact SD-CE2 4.27Å; M156-V330 HydrophobicContact CG-CG1 4.4Å; M156-V330 HydrophobicContact SD-CG1 3.96Å; M156-F331 PolarHBondContact N-O 2.99Å; M156-S332 WeakPolarHBondContact O-CA 3.26Å; M156-C333 PolarHBondContact O-N 3.46Å; M156-G336 VanDerWaalsContact C-CA 3.44Å; M156-G336 VanDerWaalsContact O-CA 3.29Å; M156-G336 WeakPolarHBondContact O-CA 3.48Å; M156-T340 PolarHBondContact O-OG1 3.31Å
157	G	94.2	Very high	92.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.172	C	C	.	.			trans	-85	-169.5	162.2	0	0	0	0	0	111.6	P142 P159 S332 C333 Q334 V335	P142-G157 PolarHBondContact O-N 3.14Å; G157-P159 VanDerWaalsContact O-CD 3.3Å; G157-P159 WeakPolarHBondContact O-CD 3.35Å; G157-S332 PolarHBondContact O-OG 3.26Å; G157-C333 CarbonylContact C-O 3.53Å; G157-C333 VanDerWaalsContact CA-O 3.28Å; G157-C333 WeakPolarHBondContact CA-O 3.38Å; G157-Q334 CarbonylContact C-O 3.47Å; G157-Q334 WeakPolarHBondContact CA-O 3.16Å; G157-V335 VanDerWaalsContact CA-C 3.42Å
158	Q	94.6	Very high	93	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.019	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-78.5	116.2	-172.6	176.8	63.6	56.5	0	0	110.1	D125 V126 P142 P200 Y275 C333 Q334	D125-Q158 WeakPolarHBondContact OD2-CB 3.31Å; D125-Q158 VanDerWaalsContact OD2-CG 3.29Å; D125-Q158 WeakPolarHBondContact OD2-CG 2.93Å; V126-Q158 HydrophobicContact CG2-CB 3.82Å; P142-Q158 WeakPolarHBondContact CD-O 3.44Å; Q158-P200 HydrophobicContact CG-CB 3.75Å; Q158-P200 HydrophobicContact CG-CG 3.68Å; Q158-Y275 PolarHBondContact NE2-OH 2.81Å; Q158-Y275 PolarHBondContact OE1-OH 2.99Å; Q158-C333 PolarHBondContact N-O 3.23Å; Q158-Q334 WeakPolarHBondContact CB-O 3.34Å; Q158-Q334 PolarHBondContact N-O 3.07Å
159	P	95	Very high	93.4	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.019	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-87.4	169.4	176.7	39.6	-39.7	0	0	0	111.3	A141 M156 G157 F164	A141-P159 HydrophobicContact CB-CB 3.98Å; M156-P159 HydrophobicContact CE-CB 3.92Å; M156-P159 VanDerWaalsContact CE-CD 3.41Å; M156-P159 HydrophobicContact CE-CG 3.39Å; G157-P159 VanDerWaalsContact O-CD 3.3Å; G157-P159 WeakPolarHBondContact O-CD 3.35Å; P159-F164 HydrophobicContact CB-CB 4.27Å; P159-F164 HydrophobicContact CG-CB 3.74Å; P159-F164 HydrophobicContact CG-CD2 4.33Å; P159-F164 HydrophobicContact CG-CG 4.41Å
160	T	95.4	Very high	94.1	Very high	42 Å²	42	33.2 Å²	33.2	26%	0.258	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-74.4	171.1	156.4	69.5	0	0	0	0	110.5	N162 G163 F164 D197 F198 V199	T160-N162 PolarHBondContact O-N 2.84Å; T160-G163 PolarHBondContact O-N 2.84Å; T160-G163 PolarHBondContact OG1-N 3.06Å; T160-G163 VanDerWaalsContact OG1-N 3.11Å; T160-F164 WeakPolarHBondContact O-CB 3.45Å; T160-F164 PolarHBondContact O-N 3.22Å; T160-D197 WeakPolarHBondContact CB-OD2 3.4Å; T160-D197 PolarHBondContact OG1-OD2 3.46Å; T160-F198 WeakPolarHBondContact CA-O 3.45Å; T160-F198 WeakPolarHBondContact CB-O 3Å; T160-V199 HydrophobicContact CG2-CG2 4.33Å
161	L	96	Very high	94.8	Very high	20 Å²	20	29.5 Å²	29.5	11%	0.105	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-46	176.8	175.5	64.1	0	0	0	112.1	G163 F164 K165 D197 F198 V274	L161-G163 VanDerWaalsContact C-N 3.33Å; L161-F164 PolarHBondContact O-N 3.39Å; L161-K165 WeakPolarHBondContact O-CG 3.46Å; L161-K165 PolarHBondContact O-N 2.86Å; L161-K165 VanDerWaalsContact O-N 3.07Å; L161-D197 PolarHBondContact N-OD1 2.89Å; L161-F198 HydrophobicContact CB-CB 3.69Å; L161-F198 HydrophobicContact CD2-CB 4.09Å; L161-F198 HydrophobicContact CD2-CD2 3.57Å; L161-F198 HydrophobicContact CD2-CE2 4.32Å; L161-F198 HydrophobicContact CD2-CG 4.08Å; L161-F198 PolarHBondContact N-O 3.19Å; L161-V274 HydrophobicContact CD1-CB 4.48Å; L161-V274 HydrophobicContact CD1-CG1 3.78Å; L161-V274 HydrophobicContact CD1-CG2 4.4Å
162	N	95.8	Very high	94.9	Very high	51 Å²	51	32.5 Å²	32.5	27%	0.273	15%	0.153	S	C	.	.	H	α-helix	trans	-67.4	-37.4	177.5	-70	-24.3	0	0	0	111.5	T160 F164 K165 Q166 D196 D197	T160-N162 PolarHBondContact O-N 2.84Å; N162-F164 VanDerWaalsContact C-N 3.33Å; N162-F164 PolarHBondContact O-N 3.07Å; N162-K165 PolarHBondContact O-N 3.46Å; N162-K165 PolarHBondContact OD1-NZ 3.07Å; N162-Q166 WeakPolarHBondContact O-CG 3.09Å; N162-Q166 PolarHBondContact O-N 3.39Å; N162-Q166 VanDerWaalsContact O-N 3.07Å; N162-D196 PolarHBondContact ND2-O 2.96Å; N162-D197 WeakPolarHBondContact CB-OD1 2.99Å; N162-D197 VanDerWaalsContact CG-OD1 3.24Å; N162-D197 PolarHBondContact N-OD1 3.49Å; N162-D197 VanDerWaalsContact ND2-CG 3.3Å; N162-D197 PolarHBondContact ND2-OD1 2.93Å
163	G	95.4	Very high	94.9	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-57.7	-44.2	171.8	0	0	0	0	0	112.9	G140 T160 L161 K165 Q166 V167	G140-G163 CarbonylContact O-C 3.41Å; G140-G163 WeakPolarHBondContact O-CA 3.45Å; T160-G163 PolarHBondContact O-N 2.84Å; T160-G163 PolarHBondContact OG1-N 3.06Å; T160-G163 VanDerWaalsContact OG1-N 3.11Å; L161-G163 VanDerWaalsContact C-N 3.33Å; G163-K165 PolarHBondContact O-N 3.33Å; G163-Q166 WeakPolarHBondContact O-CB 3.19Å; G163-Q166 PolarHBondContact O-N 2.87Å; G163-V167 PolarHBondContact O-N 3.37Å; G163-V167 VanDerWaalsContact O-N 3.11Å
164	F	96.6	Very high	94.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-41.3	176	-178.4	-122.8	0	0	0	112.7	M156 P159 T160 L161 N162 Q166 V167 L168 F181 V274 Y275 P278 Y285	M156-F164 HydrophobicContact CE-CD2 4.46Å; P159-F164 HydrophobicContact CB-CB 4.27Å; P159-F164 HydrophobicContact CG-CB 3.74Å; P159-F164 HydrophobicContact CG-CD2 4.33Å; P159-F164 HydrophobicContact CG-CG 4.41Å; T160-F164 WeakPolarHBondContact O-CB 3.45Å; T160-F164 PolarHBondContact O-N 3.22Å; L161-F164 PolarHBondContact O-N 3.39Å; N162-F164 VanDerWaalsContact C-N 3.33Å; N162-F164 PolarHBondContact O-N 3.07Å; F164-Q166 VanDerWaalsContact C-N 3.29Å; F164-Q166 PolarHBondContact O-N 3.47Å; F164-V167 WeakPolarHBondContact O-CB 3.4Å; F164-V167 PolarHBondContact O-N 3.26Å; F164-L168 HydrophobicContact CD1-CD1 4.26Å; F164-L168 HydrophobicContact CE1-CD1 3.66Å; F164-L168 HydrophobicContact CE1-CG 4.27Å; F164-L168 HydrophobicContact CE2-CD1 4.35Å; F164-L168 HydrophobicContact CE2-CD2 4.11Å; F164-L168 HydrophobicContact CE2-CG 4.1Å; F164-L168 HydrophobicContact CZ-CD1 3.7Å; F164-L168 HydrophobicContact CZ-CD2 4Å; F164-L168 HydrophobicContact CZ-CG 3.94Å; F164-L168 PolarHBondContact O-N 3.32Å; F164-F181 HydrophobicContact CD2-CE2 4.31Å; F164-F181 HydrophobicContact CD2-CZ 4.47Å; F164-F181 HydrophobicContact CE2-CD1 4.48Å; F164-F181 AromaticContact CE2-CD2 3.77Å; F164-F181 HydrophobicContact CE2-CD2 3.77Å; F164-F181 HydrophobicContact CE2-CE1 4.34Å; F164-F181 AromaticContact CE2-CE2 3.58Å; F164-F181 HydrophobicContact CE2-CE2 3.58Å; F164-F181 HydrophobicContact CE2-CG 4.25Å; F164-F181 AromaticContact CE2-CZ 3.89Å; F164-F181 HydrophobicContact CE2-CZ 3.89Å; F164-F181 HydrophobicContact CZ-CD1 4.39Å; F164-F181 HydrophobicContact CZ-CD2 4.28Å; F164-F181 HydrophobicContact CZ-CE1 4.49Å; F164-F181 HydrophobicContact CZ-CE2 4.37Å; F164-F181 HydrophobicContact CZ-CG 4.3Å; F164-F181 HydrophobicContact CZ-CZ 4.48Å; F164-V274 HydrophobicContact CD1-CG1 4.43Å; F164-Y275 AromaticContact CD1-CD1 3.91Å; F164-Y275 HydrophobicContact CD1-CD1 3.91Å; F164-Y275 HydrophobicContact CD1-CE1 4.19Å; F164-Y275 HydrophobicContact CD2-CD1 4.31Å; F164-Y275 HydrophobicContact CD2-CE1 4.12Å; F164-Y275 AromaticContact CE1-CD1 3.62Å; F164-Y275 HydrophobicContact CE1-CD1 3.62Å; F164-Y275 HydrophobicContact CE1-CE1 4.3Å; F164-Y275 HydrophobicContact CE2-CD1 4.06Å; F164-Y275 HydrophobicContact CE2-CE1 4.24Å; F164-Y275 HydrophobicContact CG-CD1 4.25Å; F164-Y275 HydrophobicContact CG-CE1 4.1Å; F164-Y275 AromaticContact CZ-CD1 3.72Å; F164-Y275 HydrophobicContact CZ-CD1 3.72Å; F164-Y275 HydrophobicContact CZ-CE1 4.33Å; F164-P278 HydrophobicContact CE1-CG 3.9Å; F164-Y285 HydrophobicContact CZ-CE2 4.37Å; F164-Y285 WeakPolarHBondContact CZ-OH 3.28Å
165	K	95.7	Very high	94.1	Very high	111 Å²	111	42.8 Å²	42.8	48%	0.483	22%	0.222	S	C	.	.	H	α-helix	trans	-59.4	-39.9	174.1	-68.5	171.7	-170.6	160.4	0	111.8	L161 N162 G163 L168 Q169	L161-K165 WeakPolarHBondContact O-CG 3.46Å; L161-K165 PolarHBondContact O-N 2.86Å; L161-K165 VanDerWaalsContact O-N 3.07Å; N162-K165 PolarHBondContact O-N 3.46Å; N162-K165 PolarHBondContact OD1-NZ 3.07Å; G163-K165 PolarHBondContact O-N 3.33Å; K165-L168 PolarHBondContact O-N 3.01Å; K165-Q169 WeakPolarHBondContact O-CB 3.3Å; K165-Q169 PolarHBondContact O-N 3.24Å
166	Q	95.8	Very high	93.6	Very high	92 Å²	92	44.6 Å²	44.6	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-63.1	-42.9	176.5	-68.3	175.6	37	0	0	111.8	N162 G163 F164 L168 Q169 R170	N162-Q166 WeakPolarHBondContact O-CG 3.09Å; N162-Q166 PolarHBondContact O-N 3.39Å; N162-Q166 VanDerWaalsContact O-N 3.07Å; G163-Q166 WeakPolarHBondContact O-CB 3.19Å; G163-Q166 PolarHBondContact O-N 2.87Å; F164-Q166 VanDerWaalsContact C-N 3.29Å; F164-Q166 PolarHBondContact O-N 3.47Å; Q166-L168 PolarHBondContact O-N 3.31Å; Q166-Q169 PolarHBondContact O-N 3.4Å; Q166-R170 WeakPolarHBondContact O-CB 3.46Å; Q166-R170 PolarHBondContact O-N 3.11Å
167	V	96.4	Very high	93	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-49.3	174.3	173	0	0	0	0	111.1	Y139 A141 F144 M156 G163 F164 R170 L171	Y139-V167 WeakPolarHBondContact O-CG2 3.29Å; A141-V167 HydrophobicContact CB-CG2 3.69Å; F144-V167 HydrophobicContact CD2-CG1 4.06Å; F144-V167 HydrophobicContact CD2-CG2 4.2Å; F144-V167 HydrophobicContact CE2-CG1 3.51Å; F144-V167 HydrophobicContact CE2-CG2 4.42Å; F144-V167 HydrophobicContact CZ-CG1 4.18Å; M156-V167 HydrophobicContact CE-CG2 4.44Å; M156-V167 HydrophobicContact SD-CG1 4.12Å; M156-V167 HydrophobicContact SD-CG2 4.31Å; G163-V167 PolarHBondContact O-N 3.37Å; G163-V167 VanDerWaalsContact O-N 3.11Å; F164-V167 WeakPolarHBondContact O-CB 3.4Å; F164-V167 PolarHBondContact O-N 3.26Å; V167-R170 WeakPolarHBondContact O-CB 3.33Å; V167-R170 PolarHBondContact O-N 3.19Å; V167-L171 HydrophobicContact CG1-CD1 4.19Å; V167-L171 WeakPolarHBondContact O-CG 3.48Å; V167-L171 PolarHBondContact O-N 2.9Å
168	L	95.6	Very high	92.9	Very high	10 Å²	10	54.5 Å²	54.5	5%	0.052	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-45.1	-179.9	-66.6	-177.8	0	0	0	112.2	F164 K165 Q166 R170 L171 Q172 I179 P278 M282 Y285	F164-L168 HydrophobicContact CD1-CD1 4.26Å; F164-L168 HydrophobicContact CE1-CD1 3.66Å; F164-L168 HydrophobicContact CE1-CG 4.27Å; F164-L168 HydrophobicContact CE2-CD1 4.35Å; F164-L168 HydrophobicContact CE2-CD2 4.11Å; F164-L168 HydrophobicContact CE2-CG 4.1Å; F164-L168 HydrophobicContact CZ-CD1 3.7Å; F164-L168 HydrophobicContact CZ-CD2 4Å; F164-L168 HydrophobicContact CZ-CG 3.94Å; F164-L168 PolarHBondContact O-N 3.32Å; K165-L168 PolarHBondContact O-N 3.01Å; Q166-L168 PolarHBondContact O-N 3.31Å; L168-R170 VanDerWaalsContact C-N 3.26Å; L168-R170 PolarHBondContact O-N 3.07Å; L168-L171 PolarHBondContact O-N 2.85Å; L168-Q172 WeakPolarHBondContact O-CG 3.49Å; L168-Q172 PolarHBondContact O-N 2.71Å; L168-I179 HydrophobicContact CD2-CG2 4.42Å; L168-P278 HydrophobicContact CD1-CB 3.83Å; L168-P278 HydrophobicContact CD1-CG 3.66Å; L168-M282 HydrophobicContact CB-SD 4.4Å; L168-M282 HydrophobicContact CD1-SD 4.16Å; L168-Y285 HydrophobicContact CD1-CE2 4.36Å; L168-Y285 HydrophobicContact CD2-CD2 4.12Å; L168-Y285 HydrophobicContact CD2-CE2 3.75Å
169	Q	94.1	Very high	92.9	Very high	123 Å²	123	54.4 Å²	54.4	58%	0.575	28%	0.276	S	S	*	.	H	α-helix	trans	-58.1	-41.9	176.4	-175.1	-179.4	8.5	0	0	110.9	K165 Q166 Q172 T173	K165-Q169 WeakPolarHBondContact O-CB 3.3Å; K165-Q169 PolarHBondContact O-N 3.24Å; Q166-Q169 PolarHBondContact O-N 3.4Å; Q169-Q172 PolarHBondContact O-N 2.89Å; Q169-T173 WeakPolarHBondContact O-CG2 3.48Å; Q169-T173 PolarHBondContact O-N 2.85Å; Q169-T173 PolarHBondContact O-OG1 2.81Å
170	R	93.3	Very high	92.9	Very high	108 Å²	108	54.2 Å²	54.2	41%	0.408	28%	0.275	S	S	.	.	H	α-helix	trans	-61.8	-48.7	177.5	-175.9	61.3	156.7	152.9	-2	111.7	Y139 Q166 V167 L168 Q172 T173 Q174	Y139-R170 HydrophobicContact CD1-CG 4.44Å; Q166-R170 WeakPolarHBondContact O-CB 3.46Å; Q166-R170 PolarHBondContact O-N 3.11Å; V167-R170 WeakPolarHBondContact O-CB 3.33Å; V167-R170 PolarHBondContact O-N 3.19Å; L168-R170 VanDerWaalsContact C-N 3.26Å; L168-R170 PolarHBondContact O-N 3.07Å; R170-Q172 VanDerWaalsContact C-N 3.29Å; R170-Q172 PolarHBondContact O-N 3.38Å; R170-T173 WeakPolarHBondContact CA-OG1 3.42Å; R170-T173 PolarHBondContact O-N 2.96Å; R170-T173 VanDerWaalsContact O-N 3.15Å; R170-T173 PolarHBondContact O-OG1 3.49Å; R170-Q174 WeakPolarHBondContact O-CG 3.44Å; R170-Q174 PolarHBondContact O-N 2.79Å
171	L	93.4	Very high	93	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-39.6	178.1	-67.7	173.4	0	0	0	111.7	F144 Y154 V167 L168 Q174 Q176 I179 T328 V330	F144-L171 HydrophobicContact CZ-CD2 4.37Å; Y154-L171 HydrophobicContact CD1-CD2 4.35Å; Y154-L171 HydrophobicContact CD2-CD2 4.11Å; Y154-L171 HydrophobicContact CE1-CD2 4.08Å; Y154-L171 HydrophobicContact CE2-CD2 3.83Å; Y154-L171 HydrophobicContact CG-CD2 4.38Å; V167-L171 HydrophobicContact CG1-CD1 4.19Å; V167-L171 WeakPolarHBondContact O-CG 3.48Å; V167-L171 PolarHBondContact O-N 2.9Å; L168-L171 PolarHBondContact O-N 2.85Å; L171-Q174 PolarHBondContact O-N 3.25Å; L171-Q176 HydrophobicContact CB-CB 4.46Å; L171-Q176 HydrophobicContact CB-CG 4.42Å; L171-Q176 HydrophobicContact CD2-CG 4.5Å; L171-Q176 WeakPolarHBondContact O-CB 3.41Å; L171-Q176 WeakPolarHBondContact O-CG 2.92Å; L171-Q176 PolarHBondContact O-N 2.74Å; L171-I179 HydrophobicContact CB-CD1 3.73Å; L171-I179 HydrophobicContact CD1-CD1 4.11Å; L171-I179 HydrophobicContact CD1-CG2 4.41Å; L171-T328 HydrophobicContact CD1-CG2 4.4Å; L171-T328 HydrophobicContact CD2-CG2 4.32Å; L171-V330 HydrophobicContact CD1-CG2 3.67Å
172	Q	90.5	Very high	93	Very high	95 Å²	95	51.3 Å²	51.3	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-63.3	-44.3	173.6	-69.9	177.3	-51.8	0	0	112.3	L168 Q169 R170 Q174 G175 M282	L168-Q172 WeakPolarHBondContact O-CG 3.49Å; L168-Q172 PolarHBondContact O-N 2.71Å; Q169-Q172 PolarHBondContact O-N 2.89Å; R170-Q172 VanDerWaalsContact C-N 3.29Å; R170-Q172 PolarHBondContact O-N 3.38Å; Q172-Q174 PolarHBondContact O-N 2.96Å; Q172-G175 PolarHBondContact O-N 3.1Å; Q172-M282 HydrophobicContact CG-CE 3.78Å
173	T	90.8	Very high	93	Very high	95 Å²	95	48.9 Å²	48.9	58%	0.583	25%	0.245	S	C	*	.	H	α-helix	trans	-64.3	-24.1	177.4	60.3	0	0	0	0	113.3	Q169 R170 G175	Q169-T173 WeakPolarHBondContact O-CG2 3.48Å; Q169-T173 PolarHBondContact O-N 2.85Å; Q169-T173 PolarHBondContact O-OG1 2.81Å; R170-T173 WeakPolarHBondContact CA-OG1 3.42Å; R170-T173 PolarHBondContact O-N 2.96Å; R170-T173 VanDerWaalsContact O-N 3.15Å; R170-T173 PolarHBondContact O-OG1 3.49Å; T173-G175 PolarHBondContact O-N 3.26Å
174	Q	89	Confident	93	Very high	84 Å²	84	48.8 Å²	48.8	39%	0.393	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	2.5	173.8	-69.8	177.8	-19.7	0	0	113.3	R170 L171 Q172	R170-Q174 WeakPolarHBondContact O-CG 3.44Å; R170-Q174 PolarHBondContact O-N 2.79Å; L171-Q174 PolarHBondContact O-N 3.25Å; Q172-Q174 PolarHBondContact O-N 2.96Å
175	G	85.4	Confident	92.8	Very high	55 Å²	55	48.7 Å²	48.7	57%	0.567	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.7	13.6	176.4	0	0	0	0	0	114.7	Q172 T173 Q177	Q172-G175 PolarHBondContact O-N 3.1Å; T173-G175 PolarHBondContact O-N 3.26Å; G175-Q177 PolarHBondContact O-N 2.96Å
176	Q	86.4	Confident	92.5	Very high	38 Å²	38	44.5 Å²	44.5	18%	0.178	23%	0.225	C	C	.	.			trans	-71.3	118.9	177	-57.9	-57.7	-14.8	0	0	110.7	L171 I179 T328	L171-Q176 HydrophobicContact CB-CB 4.46Å; L171-Q176 HydrophobicContact CB-CG 4.42Å; L171-Q176 HydrophobicContact CD2-CG 4.5Å; L171-Q176 WeakPolarHBondContact O-CB 3.41Å; L171-Q176 WeakPolarHBondContact O-CG 2.92Å; L171-Q176 PolarHBondContact O-N 2.74Å; Q176-I179 HydrophobicContact CB-CG1 4.37Å; Q176-T328 WeakPolarHBondContact CB-OG1 3.5Å; Q176-T328 WeakPolarHBondContact CG-OG1 3.4Å; Q176-T328 PolarHBondContact OE1-OG1 2.79Å
177	Q	84.4	Confident	92.3	Very high	173 Å²	173	40.2 Å²	40.2	81%	0.808	21%	0.205	S	C	*	.			trans	-89.5	-34.7	-175.6	-64.6	-155.7	-13.9	0	0	113.7	G175	G175-Q177 PolarHBondContact O-N 2.96Å
178	E	91.1	Very high	92.2	Very high	34 Å²	34	40.2 Å²	40.2	16%	0.159	21%	0.205	C	C	.	.			trans	-123.9	128.2	-179.7	-171.9	179.2	178.8	0	0	108.6	G284 R286 S315 P327 T328	E178-G284 CarbonylContact C-O 3.56Å; E178-G284 VanDerWaalsContact CA-O 3.31Å; E178-G284 WeakPolarHBondContact CA-O 3.29Å; E178-G284 WeakPolarHBondContact CG-O 3.49Å; E178-R286 IonicContact OE1-CZ 3.04Å; E178-R286 IonicContact OE1-NH1 2.7Å; E178-R286 PolarHBondContact OE1-NH1 3.34Å; E178-R286 IonicContact OE1-NH2 2.7Å; E178-R286 PolarHBondContact OE1-NH2 2.85Å; E178-S315 PolarHBondContact OE1-OG 3.4Å; E178-S315 WeakPolarHBondContact OE2-CB 3.22Å; E178-S315 PolarHBondContact OE2-OG 3.3Å; E178-P327 HydrophobicContact CB-CB 4.06Å; E178-P327 HydrophobicContact CG-CB 3.84Å; E178-T328 WeakPolarHBondContact O-CB 3.49Å; E178-T328 PolarHBondContact O-N 2.94Å
179	I	94.5	Very high	92.2	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121	-177.8	-60.8	174.9	0	0	0	107.9	L168 L171 Q176 M282 G284 Y285 R286 T328 V330	L168-I179 HydrophobicContact CD2-CG2 4.42Å; L171-I179 HydrophobicContact CB-CD1 3.73Å; L171-I179 HydrophobicContact CD1-CD1 4.11Å; L171-I179 HydrophobicContact CD1-CG2 4.41Å; Q176-I179 HydrophobicContact CB-CG1 4.37Å; I179-M282 HydrophobicContact CD1-CE 3.77Å; I179-G284 PolarHBondContact N-O 2.98Å; I179-Y285 HydrophobicContact CB-CD2 4.04Å; I179-Y285 HydrophobicContact CG2-CD2 3.91Å; I179-Y285 HydrophobicContact CG2-CE2 4.11Å; I179-Y285 CarbonylContact O-C 3.59Å; I179-Y285 VanDerWaalsContact O-CA 3.28Å; I179-Y285 WeakPolarHBondContact O-CA 3.44Å; I179-R286 PolarHBondContact O-N 3.02Å; I179-T328 CarbonylContact C-O 3.5Å; I179-T328 WeakPolarHBondContact CA-O 3.28Å; I179-V330 HydrophobicContact CG2-CG2 4.07Å
180	I	95.3	Very high	92.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	109.5	174.5	-52.5	176.1	0	0	0	107.2	F182 R286 F288 L316 P327 T328 L329 V330	I180-F182 HydrophobicContact CB-CE2 4.01Å; I180-F182 HydrophobicContact CG2-CD2 4.15Å; I180-F182 HydrophobicContact CG2-CE2 3.39Å; I180-F182 HydrophobicContact CG2-CZ 3.61Å; I180-R286 HydrophobicContact CG1-CB 4.49Å; I180-R286 HydrophobicContact CG2-CB 4.41Å; I180-F288 HydrophobicContact CG2-CD2 3.63Å; I180-F288 HydrophobicContact CG2-CE2 3.72Å; I180-L316 HydrophobicContact CD1-CD1 3.83Å; I180-L316 HydrophobicContact CD1-CG 4.43Å; I180-P327 HydrophobicContact CD1-CB 3.96Å; I180-P327 HydrophobicContact CD1-CG 4.1Å; I180-P327 HydrophobicContact CG1-CB 4.31Å; I180-T328 PolarHBondContact N-O 3.38Å; I180-L329 HydrophobicContact CB-CD2 3.94Å; I180-L329 HydrophobicContact CD1-CD2 3.97Å; I180-L329 HydrophobicContact CG1-CD2 4.33Å; I180-V330 PolarHBondContact O-N 2.87Å
181	F	96.9	Very high	92.5	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126	-179.5	-176.3	-100.1	0	0	0	110.5	M156 F164 C183 Y275 Y285 R286 Y287 F288 V330 S332	M156-F181 HydrophobicContact CE-CE2 4.49Å; M156-F181 HydrophobicContact SD-CE2 4.27Å; F164-F181 HydrophobicContact CD2-CE2 4.31Å; F164-F181 HydrophobicContact CD2-CZ 4.47Å; F164-F181 HydrophobicContact CE2-CD1 4.48Å; F164-F181 AromaticContact CE2-CD2 3.77Å; F164-F181 HydrophobicContact CE2-CD2 3.77Å; F164-F181 HydrophobicContact CE2-CE1 4.34Å; F164-F181 AromaticContact CE2-CE2 3.58Å; F164-F181 HydrophobicContact CE2-CE2 3.58Å; F164-F181 HydrophobicContact CE2-CG 4.25Å; F164-F181 AromaticContact CE2-CZ 3.89Å; F164-F181 HydrophobicContact CE2-CZ 3.89Å; F164-F181 HydrophobicContact CZ-CD1 4.39Å; F164-F181 HydrophobicContact CZ-CD2 4.28Å; F164-F181 HydrophobicContact CZ-CE1 4.49Å; F164-F181 HydrophobicContact CZ-CE2 4.37Å; F164-F181 HydrophobicContact CZ-CG 4.3Å; F164-F181 HydrophobicContact CZ-CZ 4.48Å; F181-C183 HydrophobicContact CE1-CB 4.28Å; F181-Y275 HydrophobicContact CD1-CD1 4.07Å; F181-Y275 HydrophobicContact CD1-CG 4.06Å; F181-Y275 AromaticContact CE1-CD1 3.37Å; F181-Y275 HydrophobicContact CE1-CD1 3.37Å; F181-Y275 AromaticContact CE1-CD2 3.89Å; F181-Y275 HydrophobicContact CE1-CD2 3.89Å; F181-Y275 AromaticContact CE1-CE1 3.62Å; F181-Y275 HydrophobicContact CE1-CE1 3.62Å; F181-Y275 HydrophobicContact CE1-CE2 4.09Å; F181-Y275 AromaticContact CE1-CG 3.51Å; F181-Y275 HydrophobicContact CE1-CG 3.51Å; F181-Y275 AromaticContact CE1-CZ 3.95Å; F181-Y275 AromaticContact CZ-CD1 3.86Å; F181-Y275 HydrophobicContact CZ-CD1 3.86Å; F181-Y275 AromaticContact CZ-CE1 3.67Å; F181-Y275 HydrophobicContact CZ-CE1 3.67Å; F181-Y275 HydrophobicContact CZ-CG 4.4Å; F181-Y285 HydrophobicContact CB-CE2 3.79Å; F181-Y285 WeakPolarHBondContact CB-OH 3.39Å; F181-R286 PolarHBondContact N-O 3.41Å; F181-Y287 AromaticContact CD1-CD2 3.8Å; F181-Y287 HydrophobicContact CD1-CD2 3.8Å; F181-Y287 HydrophobicContact CD1-CE2 4.16Å; F181-Y287 HydrophobicContact CE1-CD2 4.48Å; F181-Y287 HydrophobicContact CE1-CE2 4.41Å; F181-Y287 WeakPolarHBondContact O-CA 3.29Å; F181-F288 PolarHBondContact O-N 3.33Å; F181-V330 WeakPolarHBondContact CA-O 3.39Å; F181-V330 HydrophobicContact CD2-CB 3.87Å; F181-V330 HydrophobicContact CD2-CG1 3.75Å; F181-V330 HydrophobicContact CE2-CG1 3.99Å; F181-S332 VanDerWaalsContact CZ-CB 3.49Å
182	F	97.2	Very high	92.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114.5	177.9	-64.5	-96.8	0	0	0	109.5	I180 I184 F288 L290 F306 I309 L329 V330 F331 S332	I180-F182 HydrophobicContact CB-CE2 4.01Å; I180-F182 HydrophobicContact CG2-CD2 4.15Å; I180-F182 HydrophobicContact CG2-CE2 3.39Å; I180-F182 HydrophobicContact CG2-CZ 3.61Å; F182-I184 HydrophobicContact CB-CG2 4.01Å; F182-F288 WeakPolarHBondContact CA-O 3.43Å; F182-F288 HydrophobicContact CD1-CB 4.17Å; F182-F288 HydrophobicContact CE1-CB 4.37Å; F182-F288 HydrophobicContact CE1-CD2 4.4Å; F182-L290 HydrophobicContact CD1-CD2 4.45Å; F182-F306 HydrophobicContact CE1-CD2 4.12Å; F182-F306 HydrophobicContact CE1-CE2 4.01Å; F182-F306 HydrophobicContact CZ-CE2 4.19Å; F182-I309 HydrophobicContact CD1-CD1 4.4Å; F182-I309 HydrophobicContact CE1-CB 4.45Å; F182-I309 HydrophobicContact CE1-CD1 3.96Å; F182-I309 HydrophobicContact CE1-CG2 3.71Å; F182-I309 HydrophobicContact CZ-CG2 3.9Å; F182-L329 HydrophobicContact CE2-CB 4.39Å; F182-L329 HydrophobicContact CE2-CD2 4.07Å; F182-V330 PolarHBondContact N-O 3.36Å; F182-F331 HydrophobicContact CB-CD1 3.49Å; F182-F331 VanDerWaalsContact CB-CD1 3.49Å; F182-F331 HydrophobicContact CB-CE1 3.87Å; F182-F331 HydrophobicContact CB-CG 4.43Å; F182-F331 HydrophobicContact CD1-CE1 4.1Å; F182-F331 AromaticContact CD2-CD1 3.82Å; F182-F331 HydrophobicContact CD2-CD1 3.82Å; F182-F331 AromaticContact CD2-CE1 3.44Å; F182-F331 HydrophobicContact CD2-CE1 3.44Å; F182-F331 VanDerWaalsContact CD2-CE1 3.44Å; F182-F331 AromaticContact CD2-CZ 3.98Å; F182-F331 HydrophobicContact CD2-CZ 3.98Å; F182-F331 AromaticContact CE2-CE1 3.94Å; F182-F331 HydrophobicContact CE2-CE1 3.94Å; F182-F331 HydrophobicContact CE2-CZ 4.14Å; F182-F331 AromaticContact CG-CD1 3.73Å; F182-F331 HydrophobicContact CG-CD1 3.73Å; F182-F331 AromaticContact CG-CE1 3.54Å; F182-F331 HydrophobicContact CG-CE1 3.54Å; F182-F331 HydrophobicContact CG-CZ 4.49Å; F182-F331 HydrophobicContact CZ-CE1 4.44Å; F182-S332 PolarHBondContact O-N 2.69Å
183	C	95.9	Very high	92.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	111	163.6	-179.6	0	0	0	0	108.1	F181 Y275 Y287 F288 R289 L290	F181-C183 HydrophobicContact CE1-CB 4.28Å; C183-Y275 HydrophobicContact CB-CD2 4.34Å; C183-Y275 HydrophobicContact CB-CE2 4.33Å; C183-Y287 HydrophobicContact CB-CE2 3.71Å; C183-F288 PolarHBondContact N-O 2.92Å; C183-R289 WeakPolarHBondContact O-CA 3.4Å; C183-R289 WeakPolarHBondContact O-CD 3.45Å; C183-L290 PolarHBondContact O-N 3.22Å
184	I	95.1	Very high	92.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	26.2	-171.8	58.3	169.7	0	0	0	113.8	F182 L290 L292 F331 S332 C333 R339 A343	F182-I184 HydrophobicContact CB-CG2 4.01Å; I184-L290 CarbonylContact C-O 3.59Å; I184-L290 WeakPolarHBondContact CA-O 3.46Å; I184-L290 WeakPolarHBondContact CB-O 3.36Å; I184-L290 HydrophobicContact CG2-CB 4.34Å; I184-L292 HydrophobicContact CB-CD1 4.22Å; I184-L292 HydrophobicContact CB-CG 4.19Å; I184-L292 HydrophobicContact CD1-CD1 4.4Å; I184-L292 HydrophobicContact CG2-CD1 4.24Å; I184-L292 HydrophobicContact CG2-CG 4.42Å; I184-L292 PolarHBondContact O-N 2.98Å; I184-F331 HydrophobicContact CD1-CB 4.47Å; I184-F331 HydrophobicContact CG2-CD1 4.23Å; I184-S332 WeakPolarHBondContact CG1-O 3.42Å; I184-S332 PolarHBondContact N-O 2.69Å; I184-C333 HydrophobicContact CD1-CB 4.04Å; I184-C333 HydrophobicContact CG1-CB 3.83Å; I184-R339 HydrophobicContact CD1-CB 3.82Å; I184-R339 VanDerWaalsContact CD1-O 3.29Å; I184-R339 WeakPolarHBondContact CD1-O 3.44Å; I184-R339 HydrophobicContact CG1-CB 4.45Å; I184-A343 HydrophobicContact CD1-CB 3.68Å; I184-A343 HydrophobicContact CG2-CB 4.27Å
185	R	92.3	Very high	92.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.5	-174.7	-61.3	-173.2	68	171.5	6.9	111.5	D125 E187 V189 R289 C333	D125-R185 VanDerWaalsContact CG-NH1 3.33Å; D125-R185 VanDerWaalsContact CG-NH2 3.32Å; D125-R185 IonicContact OD1-CZ 3.64Å; D125-R185 IonicContact OD1-NH1 2.83Å; D125-R185 IonicContact OD1-NH2 2.72Å; D125-R185 PolarHBondContact OD1-NH2 3.42Å; D125-R185 IonicContact OD2-CZ 3.55Å; D125-R185 VanDerWaalsContact OD2-CZ 3.26Å; D125-R185 IonicContact OD2-NH1 3.95Å; D125-R185 PolarHBondContact OD2-NH1 3.38Å; D125-R185 IonicContact OD2-NH2 3.49Å; D125-R185 PolarHBondContact OD2-NH2 3.33Å; R185-E187 IonicContact CZ-OE1 2.71Å; R185-E187 IonicContact NE-OE1 3.01Å; R185-E187 PolarHBondContact NE-OE1 2.77Å; R185-E187 IonicContact NH2-OE1 3.78Å; R185-E187 PolarHBondContact NH2-OE1 2.76Å; R185-V189 VanDerWaalsContact CZ-CG2 3.4Å; R185-R289 PolarHBondContact O-NE 3.14Å; R185-R289 PolarHBondContact O-NH2 3.38Å; R185-C333 HydrophobicContact CG-CB 4.43Å
186	E	89.8	Confident	93.2	Very high	24 Å²	24	32.9 Å²	32.9	11%	0.112	16%	0.162	C	C	.	.	S	Bend	trans	-79.7	-30	173.5	66.8	178.4	138.8	0	0	112.3	V222 P291 V294	E186-V222 VanDerWaalsContact O-CG2 3.29Å; E186-V222 WeakPolarHBondContact O-CG2 3.39Å; E186-P291 HydrophobicContact CB-CB 4.12Å; E186-V294 WeakPolarHBondContact OE1-CG2 3.18Å; E186-V294 PolarHBondContact OE1-N 3.32Å
187	E	91.8	Very high	93.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	16%	0.161	C	C	.	.	S	Bend	trans	-81.2	145.6	178.6	68.4	-81.2	-164.8	0	0	112.1	R185 T202 N212 R289 R339	R185-E187 IonicContact CZ-OE1 2.71Å; R185-E187 IonicContact NE-OE1 3.01Å; R185-E187 PolarHBondContact NE-OE1 2.77Å; R185-E187 IonicContact NH2-OE1 3.78Å; R185-E187 PolarHBondContact NH2-OE1 2.76Å; E187-T202 HydrophobicContact CG-CG2 4.37Å; E187-N212 HydrophobicContact CB-CB 4.17Å; E187-N212 HydrophobicContact CG-CB 4.06Å; E187-R289 PolarHBondContact O-NH2 3.23Å; E187-R339 IonicContact OE1-CZ 3.79Å; E187-R339 IonicContact OE1-NH1 2.73Å; E187-R339 IonicContact OE1-NH2 3.78Å; E187-R339 PolarHBondContact OE1-NH2 3.45Å; E187-R339 IonicContact OE2-CZ 3.81Å; E187-R339 IonicContact OE2-NH1 3.18Å; E187-R339 PolarHBondContact OE2-NH1 3Å; E187-R339 IonicContact OE2-NH2 3.17Å; E187-R339 PolarHBondContact OE2-NH2 3.27Å
188	P	93.5	Very high	94.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.			trans	-71.4	140.5	176.8	30.6	-36.9	0	0	0	111.1	T202 P203 L216 V222 L225 E226 I229	P188-T202 WeakPolarHBondContact O-CG2 3.42Å; P188-P203 HydrophobicContact CG-CG 3.63Å; P188-P203 WeakPolarHBondContact O-CD 3.42Å; P188-L216 VanDerWaalsContact CD-CD1 3.47Å; P188-L216 HydrophobicContact CG-CD1 4.48Å; P188-V222 HydrophobicContact CB-CG1 4.17Å; P188-L225 HydrophobicContact CB-CD2 4.25Å; P188-L225 HydrophobicContact CB-CG 4.27Å; P188-L225 HydrophobicContact CG-CD2 3.81Å; P188-L225 HydrophobicContact CG-CG 4.2Å; P188-E226 WeakPolarHBondContact CA-OE1 3.21Å; P188-E226 HydrophobicContact CB-CG 3.5Å; P188-E226 VanDerWaalsContact CB-CG 3.5Å; P188-I229 HydrophobicContact CB-CD1 3.84Å; P188-I229 HydrophobicContact CG-CD1 3.68Å
189	V	95.3	Very high	94.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.			trans	-125.9	132.7	176.7	-166.8	0	0	0	0	109.7	R185 F191 P200 T202 E226 T271	R185-V189 VanDerWaalsContact CZ-CG2 3.4Å; V189-F191 HydrophobicContact CG1-CE2 4.3Å; V189-P200 HydrophobicContact CG1-CB 3.88Å; V189-T202 HydrophobicContact CB-CG2 4.27Å; V189-T202 HydrophobicContact CG1-CG2 4.16Å; V189-T202 HydrophobicContact CG2-CG2 3.89Å; V189-E226 PolarHBondContact N-OE1 3.01Å; V189-E226 VanDerWaalsContact O-CD 3.29Å; V189-T271 HydrophobicContact CB-CG2 3.64Å; V189-T271 HydrophobicContact CG2-CG2 4.2Å
190	V	96.8	Very high	94.4	Very high	2 Å²	2	25 Å²	25	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.1	171	-62.8	0	0	0	0	109.4	M122 P200 Y201 I229 L233 I268 H269	M122-V190 HydrophobicContact CE-CG2 3.38Å; V190-P200 CarbonylContact O-C 3.53Å; V190-Y201 PolarHBondContact N-O 3.38Å; V190-Y201 PolarHBondContact O-N 3.11Å; V190-I229 HydrophobicContact CG1-CB 4.42Å; V190-I229 HydrophobicContact CG1-CG2 4Å; V190-I229 HydrophobicContact CG2-CG2 4.5Å; V190-L233 HydrophobicContact CG2-CD1 3.87Å; V190-I268 HydrophobicContact CB-CG2 4.4Å; V190-H269 CarbonylContact C-O 3.58Å; V190-H269 WeakPolarHBondContact CA-O 3.34Å
191	F	97.3	Very high	94.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.4	178.9	-62.2	-108.9	0	0	0	109.4	V189 F198 V199 P200 I268 H269 T271 V274 Y275	V189-F191 HydrophobicContact CG1-CE2 4.3Å; F191-F198 HydrophobicContact CB-CB 3.98Å; F191-F198 HydrophobicContact CB-CD1 4.33Å; F191-V199 CarbonylContact C-O 3.1Å; F191-V199 VanDerWaalsContact CA-O 3.28Å; F191-V199 WeakPolarHBondContact CA-O 3.47Å; F191-P200 HydrophobicContact CD1-CB 4.01Å; F191-P200 HydrophobicContact CE1-CB 3.89Å; F191-P200 HydrophobicContact CE1-CG 4.43Å; F191-P200 HydrophobicContact CZ-CB 4.38Å; F191-I268 CarbonylContact O-C 3.5Å; F191-I268 WeakPolarHBondContact O-CA 3.33Å; F191-H269 HydrophobicContact CB-CB 4.23Å; F191-H269 PolarHBondContact N-O 2.94Å; F191-H269 PolarHBondContact O-N 2.72Å; F191-T271 HydrophobicContact CE2-CG2 4.2Å; F191-V274 HydrophobicContact CB-CG2 4.48Å; F191-V274 HydrophobicContact CD1-CG2 4.3Å; F191-V274 HydrophobicContact CD2-CB 4.39Å; F191-V274 HydrophobicContact CD2-CG2 3.6Å; F191-V274 HydrophobicContact CE1-CG1 4.28Å; F191-V274 HydrophobicContact CE1-CG2 4.41Å; F191-V274 HydrophobicContact CE2-CB 4.03Å; F191-V274 HydrophobicContact CE2-CG1 4.27Å; F191-V274 HydrophobicContact CE2-CG2 3.75Å; F191-V274 HydrophobicContact CG-CG2 3.9Å; F191-V274 HydrophobicContact CZ-CB 4.23Å; F191-V274 HydrophobicContact CZ-CG1 3.94Å; F191-V274 HydrophobicContact CZ-CG2 4.14Å; F191-Y275 HydrophobicContact CZ-CE2 4.48Å
192	L	96.8	Very high	94.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.5	179	-55.8	-179.5	0	0	0	109.6	K194 F198 V199 Y201 L233 L244 V246 M260 I262 I268	L192-K194 PolarHBondContact O-N 3.18Å; L192-F198 WeakPolarHBondContact O-CA 3.4Å; L192-V199 PolarHBondContact N-O 3.24Å; L192-V199 PolarHBondContact O-N 3.37Å; L192-Y201 HydrophobicContact CB-CD2 3.96Å; L192-Y201 HydrophobicContact CB-CE2 4.01Å; L192-Y201 HydrophobicContact CD1-CD2 3.59Å; L192-Y201 HydrophobicContact CD1-CE2 3.9Å; L192-Y201 HydrophobicContact CD1-CG 3.96Å; L192-Y201 HydrophobicContact CG-CD2 3.67Å; L192-Y201 HydrophobicContact CG-CE2 4.15Å; L192-Y201 HydrophobicContact CG-CG 4.34Å; L192-L233 HydrophobicContact CD2-CD1 4.3Å; L192-L244 HydrophobicContact CD1-CD2 3.88Å; L192-L244 HydrophobicContact CD2-CD2 4.37Å; L192-V246 HydrophobicContact CD1-CG1 3.7Å; L192-M260 HydrophobicContact CB-CE 4.15Å; L192-I262 HydrophobicContact CD2-CD1 4.42Å; L192-I268 HydrophobicContact CD2-CB 4.36Å; L192-I268 HydrophobicContact CD2-CD1 4.4Å; L192-I268 HydrophobicContact CD2-CG1 3.86Å; L192-I268 HydrophobicContact CD2-CG2 3.94Å
193	H	95.5	Very high	94.3	Very high	63 Å²	63	25 Å²	25	29%	0.292	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	123.6	174	-174.4	-103.8	0	0	0	110.2	D195 D197 F198 M260 D267	H193-D195 PolarHBondContact CE1-O 3.39Å; H193-D195 PolarHBondContact NE2-O 3.15Å; H193-D197 WeakPolarHBondContact CA-O 3.4Å; H193-F198 HydrophobicContact CB-CD1 4.23Å; H193-F198 HydrophobicContact CB-CE1 3.78Å; H193-F198 HydrophobicContact CB-CZ 3.99Å; H193-F198 AromaticContact CD2-CE2 3.63Å; H193-F198 AromaticContact CD2-CZ 3.74Å; H193-M260 WeakPolarHBondContact O-CE 3.19Å; H193-D267 HydrophobicContact CB-CB 4.06Å; H193-D267 WeakPolarHBondContact CB-O 3.49Å; H193-D267 PolarHBondContact N-O 3.25Å
194	K	90.8	Very high	94.2	Very high	65 Å²	65	25.3 Å²	25.3	28%	0.283	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	120	178.7	-167.9	179.8	177.5	-177.8	0	108.7	L192 D196 D197 V199 M260	L192-K194 PolarHBondContact O-N 3.18Å; K194-D196 PolarHBondContact O-N 3.42Å; K194-D196 VanDerWaalsContact O-N 3.12Å; K194-D197 PolarHBondContact N-O 3.13Å; K194-D197 PolarHBondContact O-N 2.97Å; K194-D197 VanDerWaalsContact O-O 3.14Å; K194-V199 HydrophobicContact CB-CG2 3.96Å; K194-V199 HydrophobicContact CD-CG2 4.25Å; K194-M260 HydrophobicContact CB-CE 3.75Å; K194-M260 HydrophobicContact CD-CE 4.38Å; K194-M260 HydrophobicContact CD-SD 4.42Å; K194-M260 HydrophobicContact CG-CE 3.96Å; K194-M260 HydrophobicContact CG-SD 4.37Å
195	D	89.4	Confident	94	Very high	132 Å²	132	31.7 Å²	31.7	71%	0.706	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	-109.6	-175.1	-51.7	-49.6	0	0	0	111.2	H193	H193-D195 PolarHBondContact CE1-O 3.39Å; H193-D195 PolarHBondContact NE2-O 3.15Å
196	D	91.2	Very high	93.9	Very high	155 Å²	155	36.4 Å²	36.4	83%	0.829	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114	20.1	178.1	-65.9	-50.8	0	0	0	112.8	N162 K194	N162-D196 PolarHBondContact ND2-O 2.96Å; K194-D196 PolarHBondContact O-N 3.42Å; K194-D196 VanDerWaalsContact O-N 3.12Å
197	D	94.8	Very high	93.9	Very high	30 Å²	30	42.5 Å²	42.5	16%	0.16	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	174.5	-177.6	-158.1	1.1	0	0	0	112.3	T160 L161 N162 H193 K194	T160-D197 WeakPolarHBondContact CB-OD2 3.4Å; T160-D197 PolarHBondContact OG1-OD2 3.46Å; L161-D197 PolarHBondContact N-OD1 2.89Å; N162-D197 WeakPolarHBondContact CB-OD1 2.99Å; N162-D197 VanDerWaalsContact CG-OD1 3.24Å; N162-D197 PolarHBondContact N-OD1 3.49Å; N162-D197 VanDerWaalsContact ND2-CG 3.3Å; N162-D197 PolarHBondContact ND2-OD1 2.93Å; H193-D197 WeakPolarHBondContact CA-O 3.4Å; K194-D197 PolarHBondContact N-O 3.13Å; K194-D197 PolarHBondContact O-N 2.97Å; K194-D197 VanDerWaalsContact O-O 3.14Å
198	F	96.3	Very high	93.7	Very high	28 Å²	28	44.6 Å²	44.6	12%	0.123	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115	173.3	-79.4	-95.2	0	0	0	109.1	T160 L161 F191 L192 H193 E266 H269	T160-F198 WeakPolarHBondContact CA-O 3.45Å; T160-F198 WeakPolarHBondContact CB-O 3Å; L161-F198 HydrophobicContact CB-CB 3.69Å; L161-F198 HydrophobicContact CD2-CB 4.09Å; L161-F198 HydrophobicContact CD2-CD2 3.57Å; L161-F198 HydrophobicContact CD2-CE2 4.32Å; L161-F198 HydrophobicContact CD2-CG 4.08Å; L161-F198 PolarHBondContact N-O 3.19Å; F191-F198 HydrophobicContact CB-CB 3.98Å; F191-F198 HydrophobicContact CB-CD1 4.33Å; L192-F198 WeakPolarHBondContact O-CA 3.4Å; H193-F198 HydrophobicContact CB-CD1 4.23Å; H193-F198 HydrophobicContact CB-CE1 3.78Å; H193-F198 HydrophobicContact CB-CZ 3.99Å; H193-F198 AromaticContact CD2-CE2 3.63Å; H193-F198 AromaticContact CD2-CZ 3.74Å; F198-E266 WeakPolarHBondContact CE1-O 3.37Å; F198-E266 WeakPolarHBondContact CZ-O 3.48Å; F198-H269 HydrophobicContact CD1-CB 4.38Å; F198-H269 AromaticContact CD1-ND1 3.35Å; F198-H269 VanDerWaalsContact CD1-ND1 3.35Å; F198-H269 WeakPolarHBondContact CD1-ND1 3.34Å; F198-H269 AromaticContact CE1-CE1 3.44Å; F198-H269 VanDerWaalsContact CE1-CE1 3.44Å; F198-H269 WeakPolarHBondContact CE1-CE1 3.48Å; F198-H269 AromaticContact CE1-CG 3.87Å; F198-H269 AromaticContact CE1-ND1 3.2Å; F198-H269 WeakPolarHBondContact CE1-ND1 3.33Å; F198-H269 AromaticContact CE2-CE1 3.73Å; F198-H269 AromaticContact CE2-ND1 3.89Å; F198-H269 AromaticContact CG-ND1 3.76Å; F198-H269 AromaticContact CZ-CE1 3.27Å; F198-H269 WeakPolarHBondContact CZ-CE1 3.49Å; F198-H269 AromaticContact CZ-ND1 3.5Å; F198-H269 WeakPolarHBondContact CZ-ND1 3.4Å
199	V	95.3	Very high	93.5	Very high	16 Å²	16	45.2 Å²	45.2	10%	0.097	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	133.5	-172.9	179.6	0	0	0	0	109.8	Q124 T160 F191 L192 K194 Y201	Q124-V199 HydrophobicContact CG-CG1 4.04Å; T160-V199 HydrophobicContact CG2-CG2 4.33Å; F191-V199 CarbonylContact C-O 3.1Å; F191-V199 VanDerWaalsContact CA-O 3.28Å; F191-V199 WeakPolarHBondContact CA-O 3.47Å; L192-V199 PolarHBondContact N-O 3.24Å; L192-V199 PolarHBondContact O-N 3.37Å; K194-V199 HydrophobicContact CB-CG2 3.96Å; K194-V199 HydrophobicContact CD-CG2 4.25Å; V199-Y201 HydrophobicContact CB-CE2 4.04Å; V199-Y201 HydrophobicContact CG1-CE2 3.91Å; V199-Y201 VanDerWaalsContact O-CD2 3.22Å; V199-Y201 WeakPolarHBondContact O-CD2 3.46Å
200	P	95.9	Very high	93.2	Very high	6 Å²	6	51 Å²	51	4%	0.039	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.4	-176.7	30.6	-35.5	0	0	0	112.9	D125 Q158 V189 V190 F191	D125-P200 HydrophobicContact CB-CB 4.14Å; D125-P200 HydrophobicContact CB-CG 4.26Å; D125-P200 WeakPolarHBondContact CB-O 3.46Å; D125-P200 PolarHBondContact N-O 3.15Å; Q158-P200 HydrophobicContact CG-CB 3.75Å; Q158-P200 HydrophobicContact CG-CG 3.68Å; V189-P200 HydrophobicContact CG1-CB 3.88Å; V190-P200 CarbonylContact O-C 3.53Å; F191-P200 HydrophobicContact CD1-CB 4.01Å; F191-P200 HydrophobicContact CE1-CB 3.89Å; F191-P200 HydrophobicContact CE1-CG 4.43Å; F191-P200 HydrophobicContact CZ-CB 4.38Å
201	Y	95.9	Very high	92.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.5	175.5	-71.4	-95.4	0	0	0	110.4	V123 Q124 V190 L192 V199 V246 N248	V123-Y201 VanDerWaalsContact C-CD1 3.47Å; V123-Y201 CarbonylContact O-C 3.24Å; V123-Y201 VanDerWaalsContact O-CA 3.28Å; V123-Y201 WeakPolarHBondContact O-CA 3.47Å; Q124-Y201 HydrophobicContact CB-CD1 4.08Å; Q124-Y201 HydrophobicContact CB-CE1 3.63Å; Q124-Y201 HydrophobicContact CG-CE1 4.22Å; Q124-Y201 VanDerWaalsContact N-CD1 3.33Å; V190-Y201 PolarHBondContact N-O 3.38Å; V190-Y201 PolarHBondContact O-N 3.11Å; L192-Y201 HydrophobicContact CB-CD2 3.96Å; L192-Y201 HydrophobicContact CB-CE2 4.01Å; L192-Y201 HydrophobicContact CD1-CD2 3.59Å; L192-Y201 HydrophobicContact CD1-CE2 3.9Å; L192-Y201 HydrophobicContact CD1-CG 3.96Å; L192-Y201 HydrophobicContact CG-CD2 3.67Å; L192-Y201 HydrophobicContact CG-CE2 4.15Å; L192-Y201 HydrophobicContact CG-CG 4.34Å; V199-Y201 HydrophobicContact CB-CE2 4.04Å; V199-Y201 HydrophobicContact CG1-CE2 3.91Å; V199-Y201 VanDerWaalsContact O-CD2 3.22Å; V199-Y201 WeakPolarHBondContact O-CD2 3.46Å; Y201-V246 HydrophobicContact CD1-CB 4Å; Y201-V246 HydrophobicContact CD1-CG1 4.29Å; Y201-V246 HydrophobicContact CD1-CG2 4.39Å; Y201-V246 HydrophobicContact CE1-CB 3.67Å; Y201-V246 HydrophobicContact CE1-CG1 4.26Å; Y201-V246 HydrophobicContact CE1-CG2 3.58Å; Y201-N248 WeakPolarHBondContact CE1-OD1 3.26Å; Y201-N248 PolarHBondContact OH-OD1 2.65Å
202	T	95	Very high	92.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.2	176.9	49.6	0	0	0	0	111.6	V123 D125 E187 P188 V189 R204	V123-T202 PolarHBondContact N-O 3.17Å; V123-T202 PolarHBondContact O-N 3.44Å; D125-T202 HydrophobicContact CB-CG2 4.31Å; D125-T202 WeakPolarHBondContact OD1-CG2 3.39Å; D125-T202 PolarHBondContact OD1-OG1 3.5Å; E187-T202 HydrophobicContact CG-CG2 4.37Å; P188-T202 WeakPolarHBondContact O-CG2 3.42Å; V189-T202 HydrophobicContact CB-CG2 4.27Å; V189-T202 HydrophobicContact CG1-CG2 4.16Å; V189-T202 HydrophobicContact CG2-CG2 3.89Å; T202-R204 PolarHBondContact OG1-NE 3.38Å; T202-R204 PolarHBondContact OG1-NH2 3.3Å; T202-R204 VanDerWaalsContact OG1-NH2 3.12Å
203	P	94.9	Very high	91.8	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.019	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.7	175.8	29.2	-33.9	0	0	0	111.1	Y120 F121 M122 P188 L213 I229	Y120-P203 HydrophobicContact CD2-CB 4.44Å; Y120-P203 HydrophobicContact CG-CB 4.21Å; F121-P203 CarbonylContact O-C 3.6Å; F121-P203 WeakPolarHBondContact O-CA 3.35Å; M122-P203 HydrophobicContact SD-CB 4.01Å; P188-P203 HydrophobicContact CG-CG 3.63Å; P188-P203 WeakPolarHBondContact O-CD 3.42Å; P203-L213 HydrophobicContact CB-CD1 4.11Å; P203-L213 HydrophobicContact CG-CD1 3.67Å; P203-L213 HydrophobicContact CG-CG 4.37Å; P203-I229 HydrophobicContact CG-CD1 4.07Å
204	R	93.6	Very high	91.2	Very high	6 Å²	6	58.5 Å²	58.5	2%	0.023	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.1	-178.1	-56.8	-65.9	176.5	128.8	7.7	111.7	Y120 F121 V123 D125 T202 L209 H210 E211 N212	Y120-R204 WeakPolarHBondContact CA-O 3.27Å; F121-R204 PolarHBondContact N-O 3.44Å; F121-R204 PolarHBondContact O-N 3.12Å; V123-R204 HydrophobicContact CB-CB 4.5Å; V123-R204 HydrophobicContact CB-CG 3.66Å; V123-R204 HydrophobicContact CG1-CG 4.47Å; V123-R204 HydrophobicContact CG2-CB 3.76Å; V123-R204 HydrophobicContact CG2-CG 3.46Å; V123-R204 VanDerWaalsContact CG2-CG 3.46Å; D125-R204 IonicContact OD1-NH2 2.64Å; T202-R204 PolarHBondContact OG1-NE 3.38Å; T202-R204 PolarHBondContact OG1-NH2 3.3Å; T202-R204 VanDerWaalsContact OG1-NH2 3.12Å; R204-L209 HydrophobicContact CB-CD2 3.89Å; R204-H210 PolarHBondContact NH1-O 2.83Å; R204-E211 WeakPolarHBondContact CD-O 3.43Å; R204-E211 PolarHBondContact NH1-O 2.79Å; R204-E211 VanDerWaalsContact NH1-O 3.08Å; R204-N212 VanDerWaalsContact CZ-CG 3.45Å; R204-N212 PolarHBondContact NE-OD1 3.22Å; R204-N212 PolarHBondContact NH1-OD1 3.46Å; R204-N212 PolarHBondContact NH2-OD1 3.23Å
205	R	91.9	Very high	90.2	Very high	134 Å²	134	58.3 Å²	58.3	51%	0.506	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	147.5	176.6	-78.3	-175	-172.6	-146.7	2.3	111.2	Y120 E207 N208 L209 L213	Y120-R205 HydrophobicContact CD1-CG 3.88Å; Y120-R205 HydrophobicContact CE1-CG 3.66Å; R205-E207 WeakPolarHBondContact CB-OE2 3.5Å; R205-E207 PolarHBondContact O-N 2.87Å; R205-N208 CarbonylContact O-C 3.42Å; R205-N208 PolarHBondContact O-N 2.86Å; R205-L209 VanDerWaalsContact O-CD2 3.31Å; R205-L209 WeakPolarHBondContact O-CD2 3.2Å; R205-L209 PolarHBondContact O-N 2.83Å; R205-L213 HydrophobicContact CG-CD2 4.09Å
206	K	90.8	Very high	89.2	Confident	99 Å²	99	54.6 Å²	54.6	43%	0.43	28%	0.275	S	S	.	.	S	Bend	trans	-60.1	-37.7	177	-172.9	174.1	166	164.2	0	111.9	R105 I106 F121 N208	R105-K206 WeakPolarHBondContact O-CE 3.4Å; R105-K206 PolarHBondContact O-NZ 2.93Å; I106-K206 WeakPolarHBondContact O-CE 3.44Å; I106-K206 PolarHBondContact O-NZ 2.92Å; F121-K206 HydrophobicContact CD2-CB 4.34Å; F121-K206 HydrophobicContact CE2-CB 3.83Å; F121-K206 HydrophobicContact CE2-CD 4.29Å; F121-K206 HydrophobicContact CE2-CG 4Å; K206-N208 VanDerWaalsContact C-N 3.28Å; K206-N208 PolarHBondContact O-N 3.28Å
207	E	88.9	Confident	87.5	Confident	152 Å²	152	53.9 Å²	53.9	71%	0.71	27%	0.267	S	S	*	.	S	Bend	trans	-67.5	-31.7	-173.5	-60	69.2	-141.7	0	0	111.7	R205	R205-E207 WeakPolarHBondContact CB-OE2 3.5Å; R205-E207 PolarHBondContact O-N 2.87Å
208	N	87.9	Confident	85.7	Confident	46 Å²	46	55.3 Å²	55.3	25%	0.246	29%	0.288	C	S	.	.			trans	-152.9	96.9	178.2	-167.1	-11.3	0	0	0	111.3	R205 K206 H210 E211	R205-N208 CarbonylContact O-C 3.42Å; R205-N208 PolarHBondContact O-N 2.86Å; K206-N208 VanDerWaalsContact C-N 3.28Å; K206-N208 PolarHBondContact O-N 3.28Å; N208-H210 PolarHBondContact O-N 3.04Å; N208-H210 WeakPolarHBondContact OD1-CB 3.35Å; N208-H210 PolarHBondContact OD1-N 3.16Å; N208-E211 WeakPolarHBondContact ND2-CG 3.46Å; N208-E211 PolarHBondContact ND2-OE1 3.38Å; N208-E211 PolarHBondContact ND2-OE2 3.21Å
209	L	89.8	Confident	83.9	Confident	13 Å²	13	62.4 Å²	62.4	7%	0.068	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.5	-178.9	-63.9	163.1	0	0	0	113.1	I106 F121 V123 R204 R205 I250 F253	I106-L209 HydrophobicContact CD1-CD1 3.66Å; I106-L209 HydrophobicContact CG1-CD1 4.43Å; F121-L209 HydrophobicContact CB-CD2 4.24Å; F121-L209 HydrophobicContact CD2-CD2 4.35Å; V123-L209 HydrophobicContact CG2-CD2 4.15Å; R204-L209 HydrophobicContact CB-CD2 3.89Å; R205-L209 VanDerWaalsContact O-CD2 3.31Å; R205-L209 WeakPolarHBondContact O-CD2 3.2Å; R205-L209 PolarHBondContact O-N 2.83Å; L209-I250 HydrophobicContact CB-CB 4.31Å; L209-I250 HydrophobicContact CB-CD1 4.18Å; L209-I250 HydrophobicContact CB-CG2 4.18Å; L209-I250 HydrophobicContact CD1-CG2 4.41Å; L209-I250 WeakPolarHBondContact O-CD1 3.46Å; L209-F253 HydrophobicContact CD1-CE1 4.03Å; L209-F253 HydrophobicContact CD1-CZ 3.66Å
210	H	87.4	Confident	82.9	Confident	120 Å²	120	66.9 Å²	66.9	56%	0.556	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-21.1	179.5	-62.3	-75.5	0	0	0	112.6	R204 N208 I250	R204-H210 PolarHBondContact NH1-O 2.83Å; N208-H210 PolarHBondContact O-N 3.04Å; N208-H210 WeakPolarHBondContact OD1-CB 3.35Å; N208-H210 PolarHBondContact OD1-N 3.16Å; H210-I250 VanDerWaalsContact ND1-CD1 3.35Å; H210-I250 WeakPolarHBondContact ND1-CD1 3.44Å
211	E	86.8	Confident	82.4	Confident	104 Å²	104	70.6 Å²	70.6	49%	0.486	36%	0.364	S	S	.	.	S	Bend	trans	-98.2	135.2	-175.7	-77	175.3	-170.9	0	0	112.2	R204 N208	R204-E211 WeakPolarHBondContact CD-O 3.43Å; R204-E211 PolarHBondContact NH1-O 2.79Å; R204-E211 VanDerWaalsContact NH1-O 3.08Å; N208-E211 WeakPolarHBondContact ND2-CG 3.46Å; N208-E211 PolarHBondContact ND2-OE1 3.38Å; N208-E211 PolarHBondContact ND2-OE2 3.21Å
212	N	89.3	Confident	82	Confident	19 Å²	19	71.5 Å²	71.5	10%	0.102	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-71.2	161.2	175.1	-68.9	-75.7	0	0	0	109.1	E187 R204 Q214 Q334	E187-N212 HydrophobicContact CB-CB 4.17Å; E187-N212 HydrophobicContact CG-CB 4.06Å; R204-N212 VanDerWaalsContact CZ-CG 3.45Å; R204-N212 PolarHBondContact NE-OD1 3.22Å; R204-N212 PolarHBondContact NH1-OD1 3.46Å; R204-N212 PolarHBondContact NH2-OD1 3.23Å; N212-Q214 PolarHBondContact O-N 2.85Å; N212-Q334 PolarHBondContact ND2-OE1 3.06Å
213	L	87.4	Confident	81.8	Confident	10 Å²	10	74.1 Å²	74.1	5%	0.052	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-60.6	128.2	163.5	-57	-175	0	0	0	109.1	Y120 P203 R205 L216	Y120-L213 HydrophobicContact CD1-CD2 3.83Å; Y120-L213 HydrophobicContact CD2-CD1 4.23Å; Y120-L213 HydrophobicContact CE1-CD1 4.45Å; Y120-L213 HydrophobicContact CE1-CD2 3.66Å; Y120-L213 HydrophobicContact CE2-CD1 4.13Å; Y120-L213 HydrophobicContact CG-CD1 4.43Å; Y120-L213 HydrophobicContact CG-CD2 4.5Å; P203-L213 HydrophobicContact CB-CD1 4.11Å; P203-L213 HydrophobicContact CG-CD1 3.67Å; P203-L213 HydrophobicContact CG-CG 4.37Å; R205-L213 HydrophobicContact CG-CD2 4.09Å; L213-L216 HydrophobicContact CB-CD1 3.86Å; L213-L216 HydrophobicContact CB-CD2 4.14Å; L213-L216 HydrophobicContact CB-CG 4.14Å; L213-L216 HydrophobicContact CD1-CD1 4.44Å; L213-L216 HydrophobicContact CD1-CD2 4.34Å
214	Q	82.5	Confident	81.7	Confident	91 Å²	91	76.3 Å²	76.3	43%	0.425	40%	0.398	S	S	.	.			trans	-117	157.4	177.8	-64.3	177.8	1.2	0	0	109.5	N212 L216	N212-Q214 PolarHBondContact O-N 2.85Å; Q214-L216 VanDerWaalsContact C-N 3.31Å; Q214-L216 PolarHBondContact O-N 3.43Å
215	G	68.8	Low	81.6	Confident	60 Å²	60	77.2 Å²	77.2	62%	0.619	40%	0.403	S	S	*	.			trans	66.3	31.8	170.3	0	0	0	0	0	113.8	Q217	G215-Q217 PolarHBondContact O-N 2.79Å
216	L	68.7	Low	81.7	Confident	55 Å²	55	70.8 Å²	70.8	29%	0.288	38%	0.378	S	S	.	.			trans	-72.7	18.9	178.4	-64.9	173.8	0	0	0	113.6	P188 L213 Q214 G218 L225	P188-L216 VanDerWaalsContact CD-CD1 3.47Å; P188-L216 HydrophobicContact CG-CD1 4.48Å; L213-L216 HydrophobicContact CB-CD1 3.86Å; L213-L216 HydrophobicContact CB-CD2 4.14Å; L213-L216 HydrophobicContact CB-CG 4.14Å; L213-L216 HydrophobicContact CD1-CD1 4.44Å; L213-L216 HydrophobicContact CD1-CD2 4.34Å; Q214-L216 VanDerWaalsContact C-N 3.31Å; Q214-L216 PolarHBondContact O-N 3.43Å; L216-G218 PolarHBondContact O-N 2.91Å; L216-L225 HydrophobicContact CD1-CD2 4.07Å; L216-L225 HydrophobicContact CD2-CD2 4.5Å
217	Q	56.1	Low	81.9	Confident	140 Å²	140	69 Å²	69	65%	0.654	37%	0.373	S	S	*	.			trans	-70.3	93.6	179.5	-67.4	-177.2	-6.5	0	0	109.6	G215	G215-Q217 PolarHBondContact O-N 2.79Å
218	G	56.8	Low	82.1	Confident	59 Å²	59	63.1 Å²	63.1	61%	0.608	35%	0.349	S	S	*	.	S	Bend	trans	-131	-169.7	173.2	0	0	0	0	0	111.2	L216 E220	L216-G218 PolarHBondContact O-N 2.91Å; G218-E220 PolarHBondContact O-N 3.05Å
219	E	57.1	Low	82.4	Confident	177 Å²	177	61.1 Å²	61.1	83%	0.827	34%	0.338	S	S	*	.	S	Bend	trans	-66.6	-24.2	177	-66.2	-169.3	153.5	0	0	113.2
220	E	74.6	Confident	82.7	Confident	111 Å²	111	61.9 Å²	61.9	52%	0.519	34%	0.34	S	S	.	.	S	Bend	trans	-87.8	134	179.4	-67.6	-175.2	170.1	0	0	111.6	G218	G218-E220 PolarHBondContact O-N 3.05Å
221	T	85.3	Confident	82.9	Confident	83 Å²	83	59.8 Å²	59.8	51%	0.509	33%	0.333	S	S	.	.			trans	-70.9	158.5	172.7	77.5	0	0	0	0	111.2	E223 S224 L225	T221-E223 VanDerWaalsContact CB-OE2 3.28Å; T221-E223 WeakPolarHBondContact CB-OE2 3.44Å; T221-E223 PolarHBondContact O-N 3.47Å; T221-E223 PolarHBondContact OG1-OE2 3.32Å; T221-E223 VanDerWaalsContact OG1-OE2 3.06Å; T221-S224 WeakPolarHBondContact O-CB 3.38Å; T221-S224 PolarHBondContact O-N 2.87Å; T221-S224 VanDerWaalsContact O-N 3.1Å; T221-S224 PolarHBondContact OG1-N 3.04Å; T221-L225 PolarHBondContact O-N 3.12Å
222	V	89.1	Confident	83.3	Confident	20 Å²	20	55.4 Å²	55.4	12%	0.121	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-34.6	179.5	-174.8	0	0	0	0	111.2	E186 P188 L225 E226 R289	E186-V222 VanDerWaalsContact O-CG2 3.29Å; E186-V222 WeakPolarHBondContact O-CG2 3.39Å; P188-V222 HydrophobicContact CB-CG1 4.17Å; V222-L225 WeakPolarHBondContact O-CB 3.27Å; V222-L225 PolarHBondContact O-N 3.29Å; V222-E226 WeakPolarHBondContact O-CG 3.44Å; V222-E226 PolarHBondContact O-N 3.5Å; V222-R289 VanDerWaalsContact CG1-NH2 3.27Å
223	E	90.8	Very high	83.5	Confident	54 Å²	54	54.5 Å²	54.5	25%	0.252	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-40.4	175.5	-57.3	88.9	161.3	0	0	111.8	T221 L225 E226 L227 R289	T221-E223 VanDerWaalsContact CB-OE2 3.28Å; T221-E223 WeakPolarHBondContact CB-OE2 3.44Å; T221-E223 PolarHBondContact O-N 3.47Å; T221-E223 PolarHBondContact OG1-OE2 3.32Å; T221-E223 VanDerWaalsContact OG1-OE2 3.06Å; E223-L225 VanDerWaalsContact C-N 3.29Å; E223-L225 PolarHBondContact O-N 3.26Å; E223-E226 PolarHBondContact O-N 2.63Å; E223-L227 WeakPolarHBondContact O-CG 3.47Å; E223-L227 PolarHBondContact O-N 3.12Å; E223-R289 WeakPolarHBondContact OE1-CB 3.38Å; E223-R289 WeakPolarHBondContact OE1-CG 3.3Å
224	S	91.9	Very high	83.7	Confident	50 Å²	50	55.3 Å²	55.3	35%	0.35	31%	0.311	S	S	.	.	H	α-helix	trans	-62.5	-39.5	173	-175.9	0	0	0	0	111.1	T221 L227 S228	T221-S224 WeakPolarHBondContact O-CB 3.38Å; T221-S224 PolarHBondContact O-N 2.87Å; T221-S224 VanDerWaalsContact O-N 3.1Å; T221-S224 PolarHBondContact OG1-N 3.04Å; S224-L227 PolarHBondContact O-N 3.3Å; S224-S228 PolarHBondContact O-N 3.48Å
225	L	91.6	Very high	84.1	Confident	24 Å²	24	52.4 Å²	52.4	13%	0.126	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-42.3	174.9	-177.4	59.8	0	0	0	111.7	K117 P188 L216 T221 V222 E223 L227 S228 I229	K117-L225 HydrophobicContact CD-CD1 4.17Å; K117-L225 HydrophobicContact CG-CD1 4.45Å; P188-L225 HydrophobicContact CB-CD2 4.25Å; P188-L225 HydrophobicContact CB-CG 4.27Å; P188-L225 HydrophobicContact CG-CD2 3.81Å; P188-L225 HydrophobicContact CG-CG 4.2Å; L216-L225 HydrophobicContact CD1-CD2 4.07Å; L216-L225 HydrophobicContact CD2-CD2 4.5Å; T221-L225 PolarHBondContact O-N 3.12Å; V222-L225 WeakPolarHBondContact O-CB 3.27Å; V222-L225 PolarHBondContact O-N 3.29Å; E223-L225 VanDerWaalsContact C-N 3.29Å; E223-L225 PolarHBondContact O-N 3.26Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 3.41Å; L225-S228 WeakPolarHBondContact O-CB 3.34Å; L225-S228 PolarHBondContact O-N 3.42Å; L225-I229 HydrophobicContact CD1-CD1 4.27Å; L225-I229 HydrophobicContact CD1-CG1 4.37Å; L225-I229 HydrophobicContact CG-CD1 3.99Å; L225-I229 WeakPolarHBondContact O-CG1 3.48Å; L225-I229 PolarHBondContact O-N 3.31Å
226	E	95.1	Very high	85.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-43.1	174.6	-74.2	174.8	-177	0	0	112	P188 V189 V222 E223 I229 R230 V270 T271 R289	P188-E226 WeakPolarHBondContact CA-OE1 3.21Å; P188-E226 HydrophobicContact CB-CG 3.5Å; P188-E226 VanDerWaalsContact CB-CG 3.5Å; V189-E226 PolarHBondContact N-OE1 3.01Å; V189-E226 VanDerWaalsContact O-CD 3.29Å; V222-E226 WeakPolarHBondContact O-CG 3.44Å; V222-E226 PolarHBondContact O-N 3.5Å; E223-E226 PolarHBondContact O-N 2.63Å; E226-I229 PolarHBondContact O-N 2.9Å; E226-R230 PolarHBondContact O-N 3.11Å; E226-V270 HydrophobicContact CB-CB 4.09Å; E226-V270 HydrophobicContact CB-CG1 3.86Å; E226-T271 VanDerWaalsContact OE1-CG2 3.28Å; E226-T271 WeakPolarHBondContact OE1-CG2 3.28Å; E226-T271 PolarHBondContact OE1-OG1 3.27Å; E226-T271 WeakPolarHBondContact OE2-CB 3.44Å; E226-T271 WeakPolarHBondContact OE2-CG2 3.47Å; E226-T271 PolarHBondContact OE2-N 3.48Å; E226-T271 VanDerWaalsContact OE2-N 3.17Å; E226-T271 PolarHBondContact OE2-OG1 3.49Å; E226-R289 IonicContact OE1-CZ 3.46Å; E226-R289 IonicContact OE1-NH1 3.98Å; E226-R289 PolarHBondContact OE1-NH1 3.49Å; E226-R289 IonicContact OE1-NH2 3.57Å; E226-R289 PolarHBondContact OE1-NH2 3.35Å; E226-R289 IonicContact OE2-NH1 4Å
227	L	94.5	Very high	86.3	Confident	60 Å²	60	47 Å²	47	31%	0.314	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-43.3	175	-71.2	170.5	0	0	0	111.9	E223 S224 L225 I229 R230 N231 V270	E223-L227 WeakPolarHBondContact O-CG 3.47Å; E223-L227 PolarHBondContact O-N 3.12Å; S224-L227 PolarHBondContact O-N 3.3Å; L225-L227 VanDerWaalsContact C-N 3.34Å; L225-L227 PolarHBondContact O-N 3.41Å; L227-I229 VanDerWaalsContact C-N 3.28Å; L227-I229 PolarHBondContact O-N 2.9Å; L227-R230 PolarHBondContact O-N 2.81Å; L227-N231 VanDerWaalsContact O-CG 3.28Å; L227-N231 PolarHBondContact O-N 3.22Å; L227-N231 PolarHBondContact O-ND2 3.1Å; L227-V270 HydrophobicContact CD2-CG1 4.22Å; L227-V270 HydrophobicContact CD2-CG2 4.14Å
228	S	92.9	Very high	87.9	Confident	30 Å²	30	46 Å²	46	21%	0.21	25%	0.25	C	C	.	.	H	α-helix	trans	-59	-41.7	174	178.9	0	0	0	0	111.2	K117 S224 L225 E232	K117-S228 PolarHBondContact NZ-OG 3.48Å; S224-S228 PolarHBondContact O-N 3.48Å; L225-S228 WeakPolarHBondContact O-CB 3.34Å; L225-S228 PolarHBondContact O-N 3.42Å; S228-E232 WeakPolarHBondContact O-CG 3.41Å; S228-E232 PolarHBondContact O-N 2.88Å; S228-E232 VanDerWaalsContact O-N 3.13Å
229	I	94.3	Very high	89.4	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-45.9	178.3	-68.2	168.4	0	0	0	110.2	V116 M122 P188 V190 P203 L225 E226 L227 N231 E232 L233	V116-I229 HydrophobicContact CG1-CB 4.24Å; V116-I229 HydrophobicContact CG1-CD1 4.2Å; V116-I229 HydrophobicContact CG1-CG1 3.64Å; V116-I229 HydrophobicContact CG1-CG2 3.84Å; V116-I229 HydrophobicContact CG2-CG2 4.44Å; M122-I229 HydrophobicContact SD-CG2 4.39Å; P188-I229 HydrophobicContact CB-CD1 3.84Å; P188-I229 HydrophobicContact CG-CD1 3.68Å; V190-I229 HydrophobicContact CG1-CB 4.42Å; V190-I229 HydrophobicContact CG1-CG2 4Å; V190-I229 HydrophobicContact CG2-CG2 4.5Å; P203-I229 HydrophobicContact CG-CD1 4.07Å; L225-I229 HydrophobicContact CD1-CD1 4.27Å; L225-I229 HydrophobicContact CD1-CG1 4.37Å; L225-I229 HydrophobicContact CG-CD1 3.99Å; L225-I229 WeakPolarHBondContact O-CG1 3.48Å; L225-I229 PolarHBondContact O-N 3.31Å; E226-I229 PolarHBondContact O-N 2.9Å; L227-I229 VanDerWaalsContact C-N 3.28Å; L227-I229 PolarHBondContact O-N 2.9Å; I229-N231 VanDerWaalsContact C-N 3.29Å; I229-N231 PolarHBondContact O-N 2.97Å; I229-E232 PolarHBondContact O-N 3.22Å; I229-L233 HydrophobicContact CG2-CD1 3.89Å; I229-L233 HydrophobicContact CG2-CG 4.08Å; I229-L233 VanDerWaalsContact O-CG 3.28Å; I229-L233 WeakPolarHBondContact O-CG 3.44Å; I229-L233 PolarHBondContact O-N 2.92Å
230	R	95.4	Very high	90.8	Very high	29 Å²	29	39.7 Å²	39.7	11%	0.109	21%	0.21	C	C	.	.	H	α-helix	trans	-53.3	-48.4	175.6	178.2	-178.7	77.8	-168.8	9.3	111.7	E226 L227 E232 L233 H234 E265 I268 V270 E273	E226-R230 PolarHBondContact O-N 3.11Å; L227-R230 PolarHBondContact O-N 2.81Å; R230-E232 VanDerWaalsContact C-N 3.34Å; R230-E232 PolarHBondContact O-N 2.8Å; R230-L233 PolarHBondContact O-N 3.08Å; R230-H234 WeakPolarHBondContact O-CB 3.38Å; R230-H234 PolarHBondContact O-N 3.03Å; R230-E265 IonicContact CZ-OE1 3.47Å; R230-E265 IonicContact NE-OE1 3.45Å; R230-E265 PolarHBondContact NE-OE1 2.75Å; R230-E265 IonicContact NH2-OE1 3.62Å; R230-E265 PolarHBondContact NH2-OE1 2.87Å; R230-I268 HydrophobicContact CB-CG2 4.16Å; R230-I268 WeakPolarHBondContact CD-O 3.07Å; R230-I268 HydrophobicContact CG-CB 3.96Å; R230-I268 HydrophobicContact CG-CG2 3.68Å; R230-V270 HydrophobicContact CB-CG1 4.19Å; R230-E273 IonicContact CZ-OE1 2.7Å; R230-E273 IonicContact NH1-OE1 3.99Å; R230-E273 PolarHBondContact NH1-OE1 3.41Å; R230-E273 IonicContact NH1-OE2 2.69Å
231	N	92.7	Very high	91.5	Very high	76 Å²	76	43.4 Å²	43.4	41%	0.406	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-43.4	-179.4	-68.2	-19.6	0	0	0	111.5	L227 I229 H234 D235	L227-N231 VanDerWaalsContact O-CG 3.28Å; L227-N231 PolarHBondContact O-N 3.22Å; L227-N231 PolarHBondContact O-ND2 3.1Å; I229-N231 VanDerWaalsContact C-N 3.29Å; I229-N231 PolarHBondContact O-N 2.97Å; N231-H234 PolarHBondContact O-N 3.04Å; N231-D235 WeakPolarHBondContact O-CB 3.02Å; N231-D235 PolarHBondContact O-N 2.77Å
232	E	93.5	Very high	91.7	Very high	12 Å²	12	42.4 Å²	42.4	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-44.4	174.9	-74	-174.9	-174.5	0	0	112.1	Y101 K117 S228 I229 R230 H234 D235 F236	Y101-E232 HydrophobicContact CE1-CG 4.09Å; K117-E232 PolarHBondContact N-OE2 2.91Å; S228-E232 WeakPolarHBondContact O-CG 3.41Å; S228-E232 PolarHBondContact O-N 2.88Å; S228-E232 VanDerWaalsContact O-N 3.13Å; I229-E232 PolarHBondContact O-N 3.22Å; R230-E232 VanDerWaalsContact C-N 3.34Å; R230-E232 PolarHBondContact O-N 2.8Å; E232-H234 VanDerWaalsContact C-N 3.33Å; E232-H234 PolarHBondContact O-N 2.88Å; E232-D235 WeakPolarHBondContact O-CB 3.39Å; E232-D235 PolarHBondContact O-N 3.41Å; E232-F236 HydrophobicContact CB-CE1 4.12Å; E232-F236 HydrophobicContact CB-CE2 4.23Å; E232-F236 HydrophobicContact CB-CZ 3.81Å; E232-F236 WeakPolarHBondContact O-CB 3.42Å; E232-F236 WeakPolarHBondContact O-CD1 3.12Å; E232-F236 WeakPolarHBondContact O-CD2 3.35Å; E232-F236 WeakPolarHBondContact O-CG 3.37Å; E232-F236 PolarHBondContact O-N 2.74Å
233	L	94.4	Very high	91.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-39.4	178.8	-67.7	-178.6	0	0	0	112.5	V116 M122 V190 L192 I229 R230 F236 A237 L244 I268	V116-L233 HydrophobicContact CG2-CD2 3.52Å; V116-L233 HydrophobicContact CG2-CG 4.32Å; M122-L233 HydrophobicContact CE-CD1 4.49Å; M122-L233 HydrophobicContact CG-CD1 4.5Å; M122-L233 HydrophobicContact CG-CD2 3.91Å; V190-L233 HydrophobicContact CG2-CD1 3.87Å; L192-L233 HydrophobicContact CD2-CD1 4.3Å; I229-L233 HydrophobicContact CG2-CD1 3.89Å; I229-L233 HydrophobicContact CG2-CG 4.08Å; I229-L233 VanDerWaalsContact O-CG 3.28Å; I229-L233 WeakPolarHBondContact O-CG 3.44Å; I229-L233 PolarHBondContact O-N 2.92Å; R230-L233 PolarHBondContact O-N 3.08Å; L233-F236 HydrophobicContact CD2-CD2 4.04Å; L233-F236 HydrophobicContact CD2-CE2 4.32Å; L233-F236 PolarHBondContact O-N 2.89Å; L233-A237 PolarHBondContact O-N 3.36Å; L233-L244 HydrophobicContact CB-CD2 4.36Å; L233-L244 HydrophobicContact CD1-CD2 4.38Å; L233-L244 HydrophobicContact CD2-CD1 3.74Å; L233-L244 HydrophobicContact CD2-CD2 3.89Å; L233-L244 HydrophobicContact CD2-CG 4.43Å; L233-L244 HydrophobicContact CG-CD2 4.44Å; L233-I268 HydrophobicContact CB-CD1 3.75Å
234	H	92.5	Very high	91.8	Very high	26 Å²	26	42 Å²	42	12%	0.12	21%	0.214	C	C	.	.	H	α-helix	trans	-67.5	-40.8	175	178.5	-118.2	0	0	0	112	R230 N231 E232 A237 K238 I268	R230-H234 WeakPolarHBondContact O-CB 3.38Å; R230-H234 PolarHBondContact O-N 3.03Å; N231-H234 PolarHBondContact O-N 3.04Å; E232-H234 VanDerWaalsContact C-N 3.33Å; E232-H234 PolarHBondContact O-N 2.88Å; H234-A237 PolarHBondContact O-N 3Å; H234-K238 WeakPolarHBondContact CE1-CE 3.3Å; H234-K238 PolarHBondContact CE1-NZ 3.37Å; H234-K238 WeakPolarHBondContact NE2-CE 3.25Å; H234-K238 WeakPolarHBondContact O-CG 3.25Å; H234-K238 PolarHBondContact O-N 3.27Å; H234-I268 HydrophobicContact CB-CD1 4.36Å
235	D	91.1	Very high	92	Very high	30 Å²	30	42.5 Å²	42.5	16%	0.16	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-43.3	172.5	-78	-3	0	0	0	111.7	L97 Y101 N231 E232 A237 K238 L239	L97-D235 HydrophobicContact CD2-CB 3.71Å; L97-D235 VanDerWaalsContact CD2-OD1 3.25Å; L97-D235 WeakPolarHBondContact CD2-OD1 3.41Å; Y101-D235 HydrophobicContact CE2-CB 3.91Å; Y101-D235 PolarHBondContact OH-OD2 3.28Å; N231-D235 WeakPolarHBondContact O-CB 3.02Å; N231-D235 PolarHBondContact O-N 2.77Å; E232-D235 WeakPolarHBondContact O-CB 3.39Å; E232-D235 PolarHBondContact O-N 3.41Å; D235-A237 VanDerWaalsContact C-N 3.33Å; D235-A237 PolarHBondContact O-N 2.96Å; D235-K238 PolarHBondContact O-N 2.91Å; D235-L239 WeakPolarHBondContact O-CB 3.38Å; D235-L239 VanDerWaalsContact O-CG 3.29Å; D235-L239 WeakPolarHBondContact O-CG 3.38Å; D235-L239 PolarHBondContact O-N 3.02Å
236	F	92.3	Very high	92.1	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-58.2	-48.7	176.9	-62.3	-11.6	0	0	0	110.2	Y101 Y114 L115 V116 E232 L233 K238 L239 S240 L244	Y101-F236 AromaticContact CD1-CE1 3.55Å; Y101-F236 HydrophobicContact CD1-CE1 3.55Å; Y101-F236 HydrophobicContact CD1-CZ 4.29Å; Y101-F236 HydrophobicContact CD2-CD1 4.26Å; Y101-F236 HydrophobicContact CD2-CE1 4.03Å; Y101-F236 AromaticContact CE1-CE1 3.9Å; Y101-F236 HydrophobicContact CE1-CE1 3.9Å; Y101-F236 HydrophobicContact CE2-CE1 4.35Å; Y101-F236 HydrophobicContact CG-CD1 4.25Å; Y101-F236 AromaticContact CG-CE1 3.62Å; Y101-F236 HydrophobicContact CG-CE1 3.62Å; Y114-F236 VanDerWaalsContact CB-CG 3.46Å; Y114-F236 HydrophobicContact CD1-CD1 4.29Å; Y114-F236 HydrophobicContact CD1-CE1 4.48Å; Y114-F236 HydrophobicContact CD2-CB 3.88Å; Y114-F236 HydrophobicContact CD2-CD1 4.07Å; Y114-F236 HydrophobicContact CD2-CG 4.02Å; Y114-F236 HydrophobicContact CG-CB 4.29Å; Y114-F236 AromaticContact CG-CD1 3.73Å; Y114-F236 HydrophobicContact CG-CD1 3.73Å; Y114-F236 HydrophobicContact CG-CD2 4.47Å; Y114-F236 HydrophobicContact CG-CE1 4.2Å; Y114-F236 AromaticContact CG-CG 3.9Å; Y114-F236 HydrophobicContact CG-CG 3.9Å; L115-F236 WeakPolarHBondContact O-CZ 3.32Å; V116-F236 HydrophobicContact CG2-CE2 3.87Å; E232-F236 HydrophobicContact CB-CE1 4.12Å; E232-F236 HydrophobicContact CB-CE2 4.23Å; E232-F236 HydrophobicContact CB-CZ 3.81Å; E232-F236 WeakPolarHBondContact O-CB 3.42Å; E232-F236 WeakPolarHBondContact O-CD1 3.12Å; E232-F236 WeakPolarHBondContact O-CD2 3.35Å; E232-F236 WeakPolarHBondContact O-CG 3.37Å; E232-F236 PolarHBondContact O-N 2.74Å; L233-F236 HydrophobicContact CD2-CD2 4.04Å; L233-F236 HydrophobicContact CD2-CE2 4.32Å; L233-F236 PolarHBondContact O-N 2.89Å; F236-K238 PolarHBondContact O-N 3.37Å; F236-L239 CarbonylContact O-C 3.57Å; F236-L239 PolarHBondContact O-N 3.33Å; F236-L239 VanDerWaalsContact O-N 3.13Å; F236-S240 WeakPolarHBondContact O-CB 3.44Å; F236-S240 PolarHBondContact O-N 3.07Å; F236-S240 PolarHBondContact O-OG 3.21Å; F236-L244 HydrophobicContact CB-CD1 4.21Å; F236-L244 HydrophobicContact CD2-CD1 4.26Å
237	A	90.9	Very high	92	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-57.1	-47.2	176.7	0	0	0	0	0	111.9	L233 H234 D235 L239 S240 K241 N242 I262	L233-A237 PolarHBondContact O-N 3.36Å; H234-A237 PolarHBondContact O-N 3Å; D235-A237 VanDerWaalsContact C-N 3.33Å; D235-A237 PolarHBondContact O-N 2.96Å; A237-L239 VanDerWaalsContact C-N 3.27Å; A237-L239 PolarHBondContact O-N 3.47Å; A237-S240 WeakPolarHBondContact CA-OG 3.13Å; A237-S240 CarbonylContact O-C 3.59Å; A237-S240 PolarHBondContact O-N 3.22Å; A237-S240 VanDerWaalsContact O-N 3.12Å; A237-S240 PolarHBondContact O-OG 3.12Å; A237-K241 PolarHBondContact O-N 3.41Å; A237-N242 WeakPolarHBondContact O-CA 3.41Å; A237-N242 PolarHBondContact O-N 3.07Å; A237-I262 HydrophobicContact CB-CB 3.72Å; A237-I262 HydrophobicContact CB-CG1 4.46Å; A237-I262 HydrophobicContact CB-CG2 3.99Å
238	K	88.9	Confident	91.9	Very high	119 Å²	119	40 Å²	40	52%	0.517	20%	0.196	S	C	.	.	H	α-helix	trans	-58.6	-38.8	176.2	-75.1	177.4	174.4	174.6	0	112.6	H234 D235 F236 S240	H234-K238 WeakPolarHBondContact CE1-CE 3.3Å; H234-K238 PolarHBondContact CE1-NZ 3.37Å; H234-K238 WeakPolarHBondContact NE2-CE 3.25Å; H234-K238 WeakPolarHBondContact O-CG 3.25Å; H234-K238 PolarHBondContact O-N 3.27Å; D235-K238 PolarHBondContact O-N 2.91Å; F236-K238 PolarHBondContact O-N 3.37Å; K238-S240 VanDerWaalsContact C-N 3.35Å
239	L	88.6	Confident	91.6	Very high	71 Å²	71	40.6 Å²	40.6	37%	0.372	20%	0.196	S	C	.	.	H	α-helix	trans	-75.4	-21.4	179.2	-69.4	170.3	0	0	0	113.4	L97 Y101 Y114 D235 F236 A237	L97-L239 HydrophobicContact CD1-CD2 3.85Å; L97-L239 HydrophobicContact CD1-CG 4.25Å; Y101-L239 HydrophobicContact CD2-CD1 3.73Å; Y101-L239 HydrophobicContact CE2-CD1 4.13Å; Y114-L239 HydrophobicContact CE2-CB 3.82Å; Y114-L239 HydrophobicContact CE2-CD1 4.4Å; D235-L239 WeakPolarHBondContact O-CB 3.38Å; D235-L239 VanDerWaalsContact O-CG 3.29Å; D235-L239 WeakPolarHBondContact O-CG 3.38Å; D235-L239 PolarHBondContact O-N 3.02Å; F236-L239 CarbonylContact O-C 3.57Å; F236-L239 PolarHBondContact O-N 3.33Å; F236-L239 VanDerWaalsContact O-N 3.13Å; A237-L239 VanDerWaalsContact C-N 3.27Å; A237-L239 PolarHBondContact O-N 3.47Å
240	S	86.9	Confident	91.4	Very high	32 Å²	32	41.9 Å²	41.9	22%	0.224	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	28.8	-172.9	63.3	0	0	0	0	114	F236 A237 K238 N242 I243	F236-S240 WeakPolarHBondContact O-CB 3.44Å; F236-S240 PolarHBondContact O-N 3.07Å; F236-S240 PolarHBondContact O-OG 3.21Å; A237-S240 WeakPolarHBondContact CA-OG 3.13Å; A237-S240 CarbonylContact O-C 3.59Å; A237-S240 PolarHBondContact O-N 3.22Å; A237-S240 VanDerWaalsContact O-N 3.12Å; A237-S240 PolarHBondContact O-OG 3.12Å; K238-S240 VanDerWaalsContact C-N 3.35Å; S240-N242 PolarHBondContact O-N 3.46Å; S240-I243 WeakPolarHBondContact CB-O 3.43Å; S240-I243 PolarHBondContact O-N 3.39Å; S240-I243 PolarHBondContact OG-O 3.17Å
241	K	88.9	Confident	90.9	Very high	189 Å²	189	44.6 Å²	44.6	82%	0.822	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	44.5	-178.4	-53.2	176.3	-178.8	175.5	0	112.8	A237 I243	A237-K241 PolarHBondContact O-N 3.41Å; K241-I243 VanDerWaalsContact C-N 3.28Å; K241-I243 PolarHBondContact O-N 2.96Å
242	N	88.9	Confident	90.6	Very high	61 Å²	61	48.4 Å²	48.4	33%	0.326	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	19.5	179.7	-60	-14.3	0	0	0	114.7	A237 S240 S261 I262 L263	A237-N242 WeakPolarHBondContact O-CA 3.41Å; A237-N242 PolarHBondContact O-N 3.07Å; S240-N242 PolarHBondContact O-N 3.46Å; N242-S261 WeakPolarHBondContact O-CA 3.25Å; N242-I262 VanDerWaalsContact CB-O 3.22Å; N242-I262 WeakPolarHBondContact CB-O 3.19Å; N242-I262 PolarHBondContact O-N 2.87Å; N242-L263 HydrophobicContact CB-CD2 4.38Å
243	I	90.4	Very high	90.4	Very high	58 Å²	58	50.8 Å²	50.8	30%	0.297	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.6	-177.9	-60.8	172.6	0	0	0	110.9	S240 K241 Y245 K259 M260	S240-I243 WeakPolarHBondContact CB-O 3.43Å; S240-I243 PolarHBondContact O-N 3.39Å; S240-I243 PolarHBondContact OG-O 3.17Å; K241-I243 VanDerWaalsContact C-N 3.28Å; K241-I243 PolarHBondContact O-N 2.96Å; I243-Y245 HydrophobicContact CG2-CE2 4.42Å; I243-K259 HydrophobicContact CG2-CB 3.92Å; I243-K259 HydrophobicContact CG2-CD 4.31Å; I243-K259 HydrophobicContact CG2-CG 3.96Å; I243-M260 CarbonylContact C-O 3.58Å; I243-M260 WeakPolarHBondContact CA-O 3.12Å
244	L	93.1	Very high	90	Very high	9 Å²	9	57.8 Å²	57.8	5%	0.047	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	142.8	170	-175.8	68.8	0	0	0	110.3	L192 L233 F236 V246 M260 I262	L192-L244 HydrophobicContact CD1-CD2 3.88Å; L192-L244 HydrophobicContact CD2-CD2 4.37Å; L233-L244 HydrophobicContact CB-CD2 4.36Å; L233-L244 HydrophobicContact CD1-CD2 4.38Å; L233-L244 HydrophobicContact CD2-CD1 3.74Å; L233-L244 HydrophobicContact CD2-CD2 3.89Å; L233-L244 HydrophobicContact CD2-CG 4.43Å; L233-L244 HydrophobicContact CG-CD2 4.44Å; F236-L244 HydrophobicContact CB-CD1 4.21Å; F236-L244 HydrophobicContact CD2-CD1 4.26Å; L244-V246 HydrophobicContact CD2-CG1 4.04Å; L244-V246 HydrophobicContact CG-CG1 4.18Å; L244-M260 HydrophobicContact CB-CB 4.33Å; L244-M260 PolarHBondContact N-O 3.14Å; L244-M260 PolarHBondContact O-N 3.38Å; L244-I262 HydrophobicContact CB-CG1 4.22Å
245	Y	94.1	Very high	89.8	Confident	59 Å²	59	62.5 Å²	62.5	23%	0.231	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.2	174.3	-69.9	-82.8	0	0	0	110.2	P111 H113 I243 P257 Q258 K259	P111-Y245 HydrophobicContact CG-CE1 4.29Å; H113-Y245 HydrophobicContact CB-CD2 3.43Å; H113-Y245 VanDerWaalsContact CB-CD2 3.43Å; H113-Y245 HydrophobicContact CB-CE2 4.13Å; H113-Y245 HydrophobicContact CB-CG 3.94Å; I243-Y245 HydrophobicContact CG2-CE2 4.42Å; Y245-P257 HydrophobicContact CD1-CB 4Å; Y245-P257 HydrophobicContact CD1-CG 3.6Å; Y245-P257 HydrophobicContact CE1-CG 4.25Å; Y245-P257 HydrophobicContact CG-CG 4.35Å; Y245-Q258 WeakPolarHBondContact CA-O 3.43Å; Y245-K259 HydrophobicContact CD1-CG 4.13Å; Y245-K259 HydrophobicContact CE1-CD 4.39Å; Y245-K259 HydrophobicContact CE1-CG 3.77Å
246	V	94.6	Very high	89.8	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	162.4	178.9	-56.6	0	0	0	0	110.2	M122 L192 Y201 L244 P257 Q258 M260	M122-V246 HydrophobicContact CB-CG1 4.07Å; L192-V246 HydrophobicContact CD1-CG1 3.7Å; Y201-V246 HydrophobicContact CD1-CB 4Å; Y201-V246 HydrophobicContact CD1-CG1 4.29Å; Y201-V246 HydrophobicContact CD1-CG2 4.39Å; Y201-V246 HydrophobicContact CE1-CB 3.67Å; Y201-V246 HydrophobicContact CE1-CG1 4.26Å; Y201-V246 HydrophobicContact CE1-CG2 3.58Å; L244-V246 HydrophobicContact CD2-CG1 4.04Å; L244-V246 HydrophobicContact CG-CG1 4.18Å; V246-P257 CarbonylContact O-C 3.57Å; V246-Q258 HydrophobicContact CG2-CB 4.06Å; V246-Q258 PolarHBondContact N-O 2.76Å; V246-Q258 PolarHBondContact O-N 3.33Å; V246-M260 HydrophobicContact CG1-CG 4.2Å; V246-M260 HydrophobicContact CG2-CG 3.53Å; V246-M260 HydrophobicContact CG2-SD 4.44Å
247	Y	93.8	Very high	89.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-115.2	125.9	-179.7	-68.6	-87	0	0	0	111.3	I106 L110 H113 F121 M122 V123 Q124 F253 E256 P257	I106-Y247 HydrophobicContact CD1-CD1 3.8Å; I106-Y247 HydrophobicContact CD1-CD2 4.06Å; I106-Y247 HydrophobicContact CD1-CE1 3.32Å; I106-Y247 HydrophobicContact CD1-CE2 3.6Å; I106-Y247 HydrophobicContact CD1-CG 4.14Å; I106-Y247 WeakPolarHBondContact CD1-OH 3.45Å; I106-Y247 HydrophobicContact CG1-CE1 4.35Å; I106-Y247 HydrophobicContact CG1-CE2 4.28Å; L110-Y247 HydrophobicContact CD1-CE1 4.33Å; H113-Y247 AromaticContact CE1-CE2 3.7Å; H113-Y247 AromaticContact CE1-CZ 3.9Å; H113-Y247 PolarHBondContact CE1-OH 2.7Å; H113-Y247 VanDerWaalsContact CE1-OH 3.3Å; H113-Y247 AromaticContact NE2-CE2 3.74Å; F121-Y247 HydrophobicContact CB-CD2 4.27Å; F121-Y247 HydrophobicContact CB-CE2 4.31Å; F121-Y247 AromaticContact CD1-CE2 3.75Å; F121-Y247 HydrophobicContact CD1-CE2 3.75Å; F121-Y247 HydrophobicContact CE1-CE2 4.47Å; F121-Y247 HydrophobicContact CG-CE2 4.3Å; M122-Y247 PolarHBondContact O-N 3.15Å; V123-Y247 CarbonylContact C-O 3.57Å; V123-Y247 WeakPolarHBondContact CA-O 3.39Å; Q124-Y247 PolarHBondContact N-O 3.33Å; Y247-F253 AromaticContact CD1-CD1 4Å; Y247-F253 HydrophobicContact CD1-CD1 4Å; Y247-F253 AromaticContact CD1-CE1 3.99Å; Y247-F253 HydrophobicContact CD1-CE1 3.99Å; Y247-F253 HydrophobicContact CE1-CD1 4.13Å; Y247-F253 HydrophobicContact CE1-CE1 4.2Å; Y247-E256 WeakPolarHBondContact CA-OE2 3.48Å; Y247-E256 HydrophobicContact CD1-CB 3.96Å; Y247-E256 HydrophobicContact CD1-CG 4.25Å; Y247-E256 HydrophobicContact CE1-CB 4.13Å; Y247-P257 HydrophobicContact CD1-CB 4.23Å; Y247-P257 HydrophobicContact CE1-CB 3.72Å; Y247-P257 HydrophobicContact CE1-CG 4.4Å; Y247-P257 HydrophobicContact CE2-CB 4.13Å
248	N	91.3	Very high	89.9	Confident	33 Å²	33	65.5 Å²	65.5	18%	0.176	31%	0.311	C	S	.	.	S	Bend	trans	-105.4	-36.4	176.8	-63.3	-10.1	0	0	0	112.1	Q124 Y201 E256 Q258	Q124-N248 HydrophobicContact CB-CB 4.34Å; Q124-N248 VanDerWaalsContact OE1-CB 3.26Å; Q124-N248 PolarHBondContact OE1-OD1 3.09Å; Y201-N248 WeakPolarHBondContact CE1-OD1 3.26Å; Y201-N248 PolarHBondContact OH-OD1 2.65Å; N248-E256 WeakPolarHBondContact CA-OE1 3.36Å; N248-E256 WeakPolarHBondContact CB-OE1 3.07Å; N248-E256 PolarHBondContact N-OE1 2.87Å; N248-E256 PolarHBondContact N-OE2 3.22Å; N248-Q258 HydrophobicContact CB-CG 4.42Å
249	D	88	Confident	90.1	Very high	41 Å²	41	66.4 Å²	66.4	22%	0.219	32%	0.315	C	S	.	.			trans	-113.9	100.3	175.9	177.4	14.5	0	0	0	111.4	E251 F252 F253 K254 E256	D249-E251 PolarHBondContact OD1-N 2.85Å; D249-F252 PolarHBondContact OD1-N 2.97Å; D249-F252 VanDerWaalsContact OD1-N 3.11Å; D249-F253 VanDerWaalsContact O-CA 3.31Å; D249-F253 WeakPolarHBondContact O-CA 3.26Å; D249-F253 PolarHBondContact O-N 2.95Å; D249-K254 PolarHBondContact OD2-N 3.18Å; D249-E256 HydrophobicContact CB-CG 4.4Å; D249-E256 PolarHBondContact N-OE1 2.96Å
250	I	88.8	Confident	90.2	Very high	30 Å²	30	63.8 Å²	63.8	15%	0.154	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-3.1	176.7	60.7	170.4	0	0	0	113.5	V123 L209 H210 F253	V123-I250 HydrophobicContact CG1-CD1 4.35Å; V123-I250 HydrophobicContact CG1-CG2 3.57Å; V123-I250 HydrophobicContact CG2-CG2 4.23Å; L209-I250 HydrophobicContact CB-CB 4.31Å; L209-I250 HydrophobicContact CB-CD1 4.18Å; L209-I250 HydrophobicContact CB-CG2 4.18Å; L209-I250 HydrophobicContact CD1-CG2 4.41Å; L209-I250 WeakPolarHBondContact O-CD1 3.46Å; H210-I250 VanDerWaalsContact ND1-CD1 3.35Å; H210-I250 WeakPolarHBondContact ND1-CD1 3.44Å; I250-F253 WeakPolarHBondContact O-CE2 3.44Å
251	E	85.7	Confident	90.5	Very high	86 Å²	86	65.7 Å²	65.7	40%	0.402	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-46.5	178.7	-68.3	-176.7	-172.5	0	0	111.1	K129 D249	K129-E251 IonicContact NZ-OE1 3.59Å; K129-E251 PolarHBondContact NZ-OE1 3.35Å; K129-E251 IonicContact NZ-OE2 2.77Å; K129-E251 PolarHBondContact NZ-OE2 3.5Å; D249-E251 PolarHBondContact OD1-N 2.85Å
252	F	86.4	Confident	90.7	Very high	156 Å²	156	56.8 Å²	56.8	68%	0.684	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-10.8	-175.5	-53.4	-76.8	0	0	0	113.7	D249 K254	D249-F252 PolarHBondContact OD1-N 2.97Å; D249-F252 VanDerWaalsContact OD1-N 3.11Å; F252-K254 PolarHBondContact O-N 3.43Å
253	F	87.9	Confident	90.8	Very high	63 Å²	63	59.6 Å²	59.6	28%	0.276	29%	0.29	S	S	.	.			trans	53.2	32.9	-175	-63.3	-80.2	0	0	0	113.4	I106 L110 L209 Y247 D249 I250 D255 E256	I106-F253 HydrophobicContact CD1-CD1 4.46Å; I106-F253 HydrophobicContact CD1-CE1 3.6Å; I106-F253 HydrophobicContact CD1-CZ 4.23Å; I106-F253 HydrophobicContact CG2-CE1 4.28Å; I106-F253 HydrophobicContact CG2-CZ 4.13Å; L110-F253 HydrophobicContact CD1-CD1 4.29Å; L209-F253 HydrophobicContact CD1-CE1 4.03Å; L209-F253 HydrophobicContact CD1-CZ 3.66Å; Y247-F253 AromaticContact CD1-CD1 4Å; Y247-F253 HydrophobicContact CD1-CD1 4Å; Y247-F253 AromaticContact CD1-CE1 3.99Å; Y247-F253 HydrophobicContact CD1-CE1 3.99Å; Y247-F253 HydrophobicContact CE1-CD1 4.13Å; Y247-F253 HydrophobicContact CE1-CE1 4.2Å; D249-F253 VanDerWaalsContact O-CA 3.31Å; D249-F253 WeakPolarHBondContact O-CA 3.26Å; D249-F253 PolarHBondContact O-N 2.95Å; I250-F253 WeakPolarHBondContact O-CE2 3.44Å; F253-D255 PolarHBondContact O-N 3.18Å; F253-E256 HydrophobicContact CB-CB 4.2Å; F253-E256 HydrophobicContact CB-CG 4.42Å; F253-E256 HydrophobicContact CD1-CB 4.24Å; F253-E256 HydrophobicContact CD1-CG 4.4Å; F253-E256 PolarHBondContact O-N 2.73Å
254	K	86.3	Confident	90.8	Very high	148 Å²	148	59 Å²	59	64%	0.643	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	123	-178.8	-170.7	-175.5	172.8	-173.8	0	109.6	D249 F252 E256	D249-K254 PolarHBondContact OD2-N 3.18Å; F252-K254 PolarHBondContact O-N 3.43Å; K254-E256 PolarHBondContact O-N 3.06Å
255	D	88.6	Confident	90.5	Very high	124 Å²	124	62.2 Å²	62.2	66%	0.663	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	24.2	-178.3	-54	-51.5	0	0	0	113.8	F253 Q258	F253-D255 PolarHBondContact O-N 3.18Å; D255-Q258 PolarHBondContact O-NE2 3.32Å
256	E	91.6	Very high	90.4	Very high	18 Å²	18	65.7 Å²	65.7	8%	0.084	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-96.3	159.2	-179.7	-67.2	-61.2	166.6	0	0	113.9	L110 Y247 N248 D249 F253 K254 Q258	L110-E256 VanDerWaalsContact CD2-O 3.25Å; L110-E256 WeakPolarHBondContact CD2-O 3.44Å; Y247-E256 WeakPolarHBondContact CA-OE2 3.48Å; Y247-E256 HydrophobicContact CD1-CB 3.96Å; Y247-E256 HydrophobicContact CD1-CG 4.25Å; Y247-E256 HydrophobicContact CE1-CB 4.13Å; N248-E256 WeakPolarHBondContact CA-OE1 3.36Å; N248-E256 WeakPolarHBondContact CB-OE1 3.07Å; N248-E256 PolarHBondContact N-OE1 2.87Å; N248-E256 PolarHBondContact N-OE2 3.22Å; D249-E256 HydrophobicContact CB-CG 4.4Å; D249-E256 PolarHBondContact N-OE1 2.96Å; F253-E256 HydrophobicContact CB-CB 4.2Å; F253-E256 HydrophobicContact CB-CG 4.42Å; F253-E256 HydrophobicContact CD1-CB 4.24Å; F253-E256 HydrophobicContact CD1-CG 4.4Å; F253-E256 PolarHBondContact O-N 2.73Å; K254-E256 PolarHBondContact O-N 3.06Å; E256-Q258 PolarHBondContact OE2-N 3.01Å; E256-Q258 VanDerWaalsContact OE2-N 3.08Å
257	P	92.7	Very high	90.4	Very high	13 Å²	13	66.8 Å²	66.8	8%	0.084	33%	0.329	C	S	.	.	S	Bend	cis	-69.5	146.8	-14.6	27	-32.2	0	0	0	112.4	P111 Y245 V246 Y247	P111-P257 VanDerWaalsContact CD-CD 3.48Å; P111-P257 HydrophobicContact CG-CG 3.5Å; Y245-P257 HydrophobicContact CD1-CB 4Å; Y245-P257 HydrophobicContact CD1-CG 3.6Å; Y245-P257 HydrophobicContact CE1-CG 4.25Å; Y245-P257 HydrophobicContact CG-CG 4.35Å; V246-P257 CarbonylContact O-C 3.57Å; Y247-P257 HydrophobicContact CD1-CB 4.23Å; Y247-P257 HydrophobicContact CE1-CB 3.72Å; Y247-P257 HydrophobicContact CE1-CG 4.4Å; Y247-P257 HydrophobicContact CE2-CB 4.13Å
258	Q	93.1	Very high	90.6	Very high	65 Å²	65	66.8 Å²	66.8	30%	0.304	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	142.7	172.2	-64.1	-65	-32.3	0	0	111.6	Y245 V246 N248 D255 E256	Y245-Q258 WeakPolarHBondContact CA-O 3.43Å; V246-Q258 HydrophobicContact CG2-CB 4.06Å; V246-Q258 PolarHBondContact N-O 2.76Å; V246-Q258 PolarHBondContact O-N 3.33Å; N248-Q258 HydrophobicContact CB-CG 4.42Å; D255-Q258 PolarHBondContact O-NE2 3.32Å; E256-Q258 PolarHBondContact OE2-N 3.01Å; E256-Q258 VanDerWaalsContact OE2-N 3.08Å
259	K	92.5	Very high	90.9	Very high	139 Å²	139	66.1 Å²	66.1	60%	0.604	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.6	177	-66.8	177.1	-175.3	173.2	0	109.9	I243 Y245	I243-K259 HydrophobicContact CG2-CB 3.92Å; I243-K259 HydrophobicContact CG2-CD 4.31Å; I243-K259 HydrophobicContact CG2-CG 3.96Å; Y245-K259 HydrophobicContact CD1-CG 4.13Å; Y245-K259 HydrophobicContact CE1-CD 4.39Å; Y245-K259 HydrophobicContact CE1-CG 3.77Å
260	M	91	Very high	91.3	Very high	15 Å²	15	64.3 Å²	64.3	7%	0.074	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.1	177	-66.9	-61.9	-65.5	0	0	109.9	L192 H193 K194 I243 L244 V246	L192-M260 HydrophobicContact CB-CE 4.15Å; H193-M260 WeakPolarHBondContact O-CE 3.19Å; K194-M260 HydrophobicContact CB-CE 3.75Å; K194-M260 HydrophobicContact CD-CE 4.38Å; K194-M260 HydrophobicContact CD-SD 4.42Å; K194-M260 HydrophobicContact CG-CE 3.96Å; K194-M260 HydrophobicContact CG-SD 4.37Å; I243-M260 CarbonylContact C-O 3.58Å; I243-M260 WeakPolarHBondContact CA-O 3.12Å; L244-M260 HydrophobicContact CB-CB 4.33Å; L244-M260 PolarHBondContact N-O 3.14Å; L244-M260 PolarHBondContact O-N 3.38Å; V246-M260 HydrophobicContact CG1-CG 4.2Å; V246-M260 HydrophobicContact CG2-CG 3.53Å; V246-M260 HydrophobicContact CG2-SD 4.44Å
261	S	92.8	Very high	91.6	Very high	73 Å²	73	62.9 Å²	62.9	51%	0.51	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.7	175.8	-168.9	0	0	0	0	109.9	N242	N242-S261 WeakPolarHBondContact O-CA 3.25Å
262	I	93	Very high	92	Very high	1 Å²	1	62 Å²	62	1%	0.005	30%	0.304	C	S	.	.			trans	-117.5	109.2	175.8	-57.6	-60	0	0	0	107.5	L192 A237 N242 L244 D267 I268	L192-I262 HydrophobicContact CD2-CD1 4.42Å; A237-I262 HydrophobicContact CB-CB 3.72Å; A237-I262 HydrophobicContact CB-CG1 4.46Å; A237-I262 HydrophobicContact CB-CG2 3.99Å; N242-I262 VanDerWaalsContact CB-O 3.22Å; N242-I262 WeakPolarHBondContact CB-O 3.19Å; N242-I262 PolarHBondContact O-N 2.87Å; L244-I262 HydrophobicContact CB-CG1 4.22Å; I262-D267 HydrophobicContact CD1-CB 3.98Å; I262-D267 HydrophobicContact CG2-CB 4.23Å; I262-I268 HydrophobicContact CD1-CD1 4.44Å; I262-I268 HydrophobicContact CD1-CG1 3.98Å; I262-I268 HydrophobicContact CG1-CD1 4.48Å; I262-I268 HydrophobicContact CG2-CD1 3.9Å; I262-I268 HydrophobicContact CG2-CG1 4.1Å
263	L	91.2	Very high	92.4	Very high	121 Å²	121	56.9 Å²	56.9	63%	0.634	28%	0.283	S	S	*	.			trans	-95.2	-32.2	-176.1	-59.7	176.2	0	0	0	112	N242 D267	N242-L263 HydrophobicContact CB-CD2 4.38Å; L263-D267 WeakPolarHBondContact CA-OD2 3.11Å; L263-D267 WeakPolarHBondContact CB-OD2 3.47Å; L263-D267 PolarHBondContact N-OD2 3.4Å
264	C	89.9	Confident	92.8	Very high	46 Å²	46	54.1 Å²	54.1	31%	0.311	27%	0.271	S	S	.	.	S	Bend	trans	-146.8	173.5	-176	61.6	0	0	0	0	111.5	E266 D267	C264-E266 VanDerWaalsContact CB-OE2 3.26Å; C264-E266 WeakPolarHBondContact CB-OE2 3.38Å; C264-E266 PolarHBondContact O-N 2.88Å; C264-E266 PolarHBondContact SG-OE2 3.42Å; C264-E266 VanDerWaalsContact SG-OE2 3.38Å; C264-D267 PolarHBondContact N-OD2 3.11Å; C264-D267 PolarHBondContact O-N 3.2Å; C264-D267 PolarHBondContact SG-OD2 3.34Å; C264-D267 VanDerWaalsContact SG-OD2 3.42Å
265	E	88.2	Confident	93.3	Very high	76 Å²	76	47 Å²	47	36%	0.355	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-68.1	-29.1	-179.9	-169.4	172.1	172.9	0	0	111.2	R230 D267 I268	R230-E265 IonicContact CZ-OE1 3.47Å; R230-E265 IonicContact NE-OE1 3.45Å; R230-E265 PolarHBondContact NE-OE1 2.75Å; R230-E265 IonicContact NH2-OE1 3.62Å; R230-E265 PolarHBondContact NH2-OE1 2.87Å; E265-D267 PolarHBondContact O-N 3.17Å; E265-I268 PolarHBondContact O-N 2.57Å; E265-I268 VanDerWaalsContact O-O 3.09Å
266	E	90.9	Very high	93.6	Very high	131 Å²	131	45.6 Å²	45.6	61%	0.612	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-67	-15.3	178.2	-62.4	82.4	171.2	0	0	113.7	F198 C264 I268	F198-E266 WeakPolarHBondContact CE1-O 3.37Å; F198-E266 WeakPolarHBondContact CZ-O 3.48Å; C264-E266 VanDerWaalsContact CB-OE2 3.26Å; C264-E266 WeakPolarHBondContact CB-OE2 3.38Å; C264-E266 PolarHBondContact O-N 2.88Å; C264-E266 PolarHBondContact SG-OE2 3.42Å; C264-E266 VanDerWaalsContact SG-OE2 3.38Å; E266-I268 PolarHBondContact O-N 3.13Å
267	D	95.4	Very high	93.8	Very high	23 Å²	23	49.7 Å²	49.7	12%	0.123	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-76	-6.2	172.8	-64.8	-40.7	0	0	0	112.5	H193 I262 L263 C264 E265	H193-D267 HydrophobicContact CB-CB 4.06Å; H193-D267 WeakPolarHBondContact CB-O 3.49Å; H193-D267 PolarHBondContact N-O 3.25Å; I262-D267 HydrophobicContact CD1-CB 3.98Å; I262-D267 HydrophobicContact CG2-CB 4.23Å; L263-D267 WeakPolarHBondContact CA-OD2 3.11Å; L263-D267 WeakPolarHBondContact CB-OD2 3.47Å; L263-D267 PolarHBondContact N-OD2 3.4Å; C264-D267 PolarHBondContact N-OD2 3.11Å; C264-D267 PolarHBondContact O-N 3.2Å; C264-D267 PolarHBondContact SG-OD2 3.34Å; C264-D267 VanDerWaalsContact SG-OD2 3.42Å; E265-D267 PolarHBondContact O-N 3.17Å
268	I	96.8	Very high	93.9	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	115.1	178.7	-50.5	174.8	0	0	0	109.7	V190 F191 L192 R230 L233 H234 I262 E265 E266	V190-I268 HydrophobicContact CB-CG2 4.4Å; F191-I268 CarbonylContact O-C 3.5Å; F191-I268 WeakPolarHBondContact O-CA 3.33Å; L192-I268 HydrophobicContact CD2-CB 4.36Å; L192-I268 HydrophobicContact CD2-CD1 4.4Å; L192-I268 HydrophobicContact CD2-CG1 3.86Å; L192-I268 HydrophobicContact CD2-CG2 3.94Å; R230-I268 HydrophobicContact CB-CG2 4.16Å; R230-I268 WeakPolarHBondContact CD-O 3.07Å; R230-I268 HydrophobicContact CG-CB 3.96Å; R230-I268 HydrophobicContact CG-CG2 3.68Å; L233-I268 HydrophobicContact CB-CD1 3.75Å; H234-I268 HydrophobicContact CB-CD1 4.36Å; I262-I268 HydrophobicContact CD1-CD1 4.44Å; I262-I268 HydrophobicContact CD1-CG1 3.98Å; I262-I268 HydrophobicContact CG1-CD1 4.48Å; I262-I268 HydrophobicContact CG2-CD1 3.9Å; I262-I268 HydrophobicContact CG2-CG1 4.1Å; E265-I268 PolarHBondContact O-N 2.57Å; E265-I268 VanDerWaalsContact O-O 3.09Å; E266-I268 PolarHBondContact O-N 3.13Å
269	H	97.4	Very high	93.9	Very high	18 Å²	18	50.6 Å²	50.6	8%	0.083	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	146.4	174	-68.4	145.5	0	0	0	112.4	V190 F191 F198 E273 V274 R277	V190-H269 CarbonylContact C-O 3.58Å; V190-H269 WeakPolarHBondContact CA-O 3.34Å; F191-H269 HydrophobicContact CB-CB 4.23Å; F191-H269 PolarHBondContact N-O 2.94Å; F191-H269 PolarHBondContact O-N 2.72Å; F198-H269 HydrophobicContact CD1-CB 4.38Å; F198-H269 AromaticContact CD1-ND1 3.35Å; F198-H269 VanDerWaalsContact CD1-ND1 3.35Å; F198-H269 WeakPolarHBondContact CD1-ND1 3.34Å; F198-H269 AromaticContact CE1-CE1 3.44Å; F198-H269 VanDerWaalsContact CE1-CE1 3.44Å; F198-H269 WeakPolarHBondContact CE1-CE1 3.48Å; F198-H269 AromaticContact CE1-CG 3.87Å; F198-H269 AromaticContact CE1-ND1 3.2Å; F198-H269 WeakPolarHBondContact CE1-ND1 3.33Å; F198-H269 AromaticContact CE2-CE1 3.73Å; F198-H269 AromaticContact CE2-ND1 3.89Å; F198-H269 AromaticContact CG-ND1 3.76Å; F198-H269 AromaticContact CZ-CE1 3.27Å; F198-H269 WeakPolarHBondContact CZ-CE1 3.49Å; F198-H269 AromaticContact CZ-ND1 3.5Å; F198-H269 WeakPolarHBondContact CZ-ND1 3.4Å; H269-E273 WeakPolarHBondContact CA-OE2 3.05Å; H269-E273 IonicContact CD2-OE2 3.76Å; H269-E273 PolarHBondContact CD2-OE2 2.85Å; H269-E273 IonicContact CG-OE2 2.65Å; H269-V274 HydrophobicContact CB-CG2 3.83Å; H269-R277 PolarHBondContact CD2-NH1 2.91Å; H269-R277 PolarHBondContact CD2-NH2 2.95Å; H269-R277 PolarHBondContact CE1-NH1 2.8Å; H269-R277 PolarHBondContact ND1-NH1 3.13Å; H269-R277 PolarHBondContact NE2-NH1 3.49Å; H269-R277 PolarHBondContact NE2-NH2 2.96Å; H269-R277 VanDerWaalsContact NE2-NH2 3.15Å
270	V	96.6	Very high	94	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	168.3	168.1	-62	0	0	0	0	111.5	E226 L227 R230 E272 E273 V274	E226-V270 HydrophobicContact CB-CB 4.09Å; E226-V270 HydrophobicContact CB-CG1 3.86Å; L227-V270 HydrophobicContact CD2-CG1 4.22Å; L227-V270 HydrophobicContact CD2-CG2 4.14Å; R230-V270 HydrophobicContact CB-CG1 4.19Å; V270-E272 VanDerWaalsContact C-N 3.3Å; V270-E272 HydrophobicContact CG2-CB 4.45Å; V270-E272 PolarHBondContact O-N 2.95Å; V270-E273 HydrophobicContact CG2-CB 4.23Å; V270-E273 HydrophobicContact CG2-CG 3.75Å; V270-E273 PolarHBondContact N-OE2 3.3Å; V270-E273 VanDerWaalsContact N-OE2 3.15Å; V270-E273 PolarHBondContact O-N 3.42Å; V270-V274 PolarHBondContact O-N 3.1Å; V270-V274 VanDerWaalsContact O-N 3.11Å
271	T	95.4	Very high	94	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-39.5	-177.4	61	0	0	0	0	112.8	V189 F191 E226 E273 V274 Y275 R289	V189-T271 HydrophobicContact CB-CG2 3.64Å; V189-T271 HydrophobicContact CG2-CG2 4.2Å; F191-T271 HydrophobicContact CE2-CG2 4.2Å; E226-T271 VanDerWaalsContact OE1-CG2 3.28Å; E226-T271 WeakPolarHBondContact OE1-CG2 3.28Å; E226-T271 PolarHBondContact OE1-OG1 3.27Å; E226-T271 WeakPolarHBondContact OE2-CB 3.44Å; E226-T271 WeakPolarHBondContact OE2-CG2 3.47Å; E226-T271 PolarHBondContact OE2-N 3.48Å; E226-T271 VanDerWaalsContact OE2-N 3.17Å; E226-T271 PolarHBondContact OE2-OG1 3.49Å; T271-E273 VanDerWaalsContact C-N 3.28Å; T271-E273 PolarHBondContact O-N 2.88Å; T271-V274 PolarHBondContact O-N 2.88Å; T271-Y275 HydrophobicContact CG2-CE2 4.14Å; T271-Y275 WeakPolarHBondContact O-CB 3.41Å; T271-Y275 WeakPolarHBondContact O-CD2 3.49Å; T271-Y275 PolarHBondContact O-N 2.72Å; T271-R289 PolarHBondContact OG1-NH1 3.49Å
272	E	94.5	Very high	93.9	Very high	68 Å²	68	55.3 Å²	55.3	32%	0.318	27%	0.27	S	S	.	.	H	α-helix	trans	-59.9	-41.9	178.7	-170.7	179.1	-162.3	0	0	110.9	V270 K276 Y287	V270-E272 VanDerWaalsContact C-N 3.3Å; V270-E272 HydrophobicContact CG2-CB 4.45Å; V270-E272 PolarHBondContact O-N 2.95Å; E272-K276 HydrophobicContact CG-CB 4.26Å; E272-K276 HydrophobicContact CG-CD 3.78Å; E272-K276 WeakPolarHBondContact O-CA 3.11Å; E272-K276 WeakPolarHBondContact O-CB 3.19Å; E272-K276 PolarHBondContact O-N 3.38Å; E272-K276 WeakPolarHBondContact OE1-CD 3.28Å; E272-K276 IonicContact OE1-NZ 2.9Å; E272-K276 PolarHBondContact OE1-NZ 2.93Å; E272-Y287 HydrophobicContact CG-CE1 4.39Å
273	E	95.3	Very high	93.6	Very high	49 Å²	49	65.2 Å²	65.2	23%	0.229	32%	0.316	C	S	.	.	H	α-helix	trans	-67.2	-41.5	178.2	-69.9	171.7	165.8	0	0	111.9	R230 H269 V270 T271 R277	R230-E273 IonicContact CZ-OE1 2.7Å; R230-E273 IonicContact NH1-OE1 3.99Å; R230-E273 PolarHBondContact NH1-OE1 3.41Å; R230-E273 IonicContact NH1-OE2 2.69Å; H269-E273 WeakPolarHBondContact CA-OE2 3.05Å; H269-E273 IonicContact CD2-OE2 3.76Å; H269-E273 PolarHBondContact CD2-OE2 2.85Å; H269-E273 IonicContact CG-OE2 2.65Å; V270-E273 HydrophobicContact CG2-CB 4.23Å; V270-E273 HydrophobicContact CG2-CG 3.75Å; V270-E273 PolarHBondContact N-OE2 3.3Å; V270-E273 VanDerWaalsContact N-OE2 3.15Å; V270-E273 PolarHBondContact O-N 3.42Å; T271-E273 VanDerWaalsContact C-N 3.28Å; T271-E273 PolarHBondContact O-N 2.88Å; E273-R277 WeakPolarHBondContact O-CB 3.29Å; E273-R277 WeakPolarHBondContact O-CD 3.33Å; E273-R277 WeakPolarHBondContact O-CG 3.22Å; E273-R277 PolarHBondContact O-NE 3.31Å
274	V	95.8	Very high	93.4	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-67.7	-47.3	179.3	169.2	0	0	0	0	111.5	L161 F164 F191 H269 V270 T271	L161-V274 HydrophobicContact CD1-CB 4.48Å; L161-V274 HydrophobicContact CD1-CG1 3.78Å; L161-V274 HydrophobicContact CD1-CG2 4.4Å; F164-V274 HydrophobicContact CD1-CG1 4.43Å; F191-V274 HydrophobicContact CB-CG2 4.48Å; F191-V274 HydrophobicContact CD1-CG2 4.3Å; F191-V274 HydrophobicContact CD2-CB 4.39Å; F191-V274 HydrophobicContact CD2-CG2 3.6Å; F191-V274 HydrophobicContact CE1-CG1 4.28Å; F191-V274 HydrophobicContact CE1-CG2 4.41Å; F191-V274 HydrophobicContact CE2-CB 4.03Å; F191-V274 HydrophobicContact CE2-CG1 4.27Å; F191-V274 HydrophobicContact CE2-CG2 3.75Å; F191-V274 HydrophobicContact CG-CG2 3.9Å; F191-V274 HydrophobicContact CZ-CB 4.23Å; F191-V274 HydrophobicContact CZ-CG1 3.94Å; F191-V274 HydrophobicContact CZ-CG2 4.14Å; H269-V274 HydrophobicContact CB-CG2 3.83Å; V270-V274 PolarHBondContact O-N 3.1Å; V270-V274 VanDerWaalsContact O-N 3.11Å; T271-V274 PolarHBondContact O-N 2.88Å
275	Y	96.6	Very high	93.6	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-92.1	-23.4	-169.9	-59.8	-51.2	0	0	0	114.1	Q158 F164 F181 C183 F191 T271 P278 Y285 Y287	Q158-Y275 PolarHBondContact NE2-OH 2.81Å; Q158-Y275 PolarHBondContact OE1-OH 2.99Å; F164-Y275 AromaticContact CD1-CD1 3.91Å; F164-Y275 HydrophobicContact CD1-CD1 3.91Å; F164-Y275 HydrophobicContact CD1-CE1 4.19Å; F164-Y275 HydrophobicContact CD2-CD1 4.31Å; F164-Y275 HydrophobicContact CD2-CE1 4.12Å; F164-Y275 AromaticContact CE1-CD1 3.62Å; F164-Y275 HydrophobicContact CE1-CD1 3.62Å; F164-Y275 HydrophobicContact CE1-CE1 4.3Å; F164-Y275 HydrophobicContact CE2-CD1 4.06Å; F164-Y275 HydrophobicContact CE2-CE1 4.24Å; F164-Y275 HydrophobicContact CG-CD1 4.25Å; F164-Y275 HydrophobicContact CG-CE1 4.1Å; F164-Y275 AromaticContact CZ-CD1 3.72Å; F164-Y275 HydrophobicContact CZ-CD1 3.72Å; F164-Y275 HydrophobicContact CZ-CE1 4.33Å; F181-Y275 HydrophobicContact CD1-CD1 4.07Å; F181-Y275 HydrophobicContact CD1-CG 4.06Å; F181-Y275 AromaticContact CE1-CD1 3.37Å; F181-Y275 HydrophobicContact CE1-CD1 3.37Å; F181-Y275 AromaticContact CE1-CD2 3.89Å; F181-Y275 HydrophobicContact CE1-CD2 3.89Å; F181-Y275 AromaticContact CE1-CE1 3.62Å; F181-Y275 HydrophobicContact CE1-CE1 3.62Å; F181-Y275 HydrophobicContact CE1-CE2 4.09Å; F181-Y275 AromaticContact CE1-CG 3.51Å; F181-Y275 HydrophobicContact CE1-CG 3.51Å; F181-Y275 AromaticContact CE1-CZ 3.95Å; F181-Y275 AromaticContact CZ-CD1 3.86Å; F181-Y275 HydrophobicContact CZ-CD1 3.86Å; F181-Y275 AromaticContact CZ-CE1 3.67Å; F181-Y275 HydrophobicContact CZ-CE1 3.67Å; F181-Y275 HydrophobicContact CZ-CG 4.4Å; C183-Y275 HydrophobicContact CB-CD2 4.34Å; C183-Y275 HydrophobicContact CB-CE2 4.33Å; F191-Y275 HydrophobicContact CZ-CE2 4.48Å; T271-Y275 HydrophobicContact CG2-CE2 4.14Å; T271-Y275 WeakPolarHBondContact O-CB 3.41Å; T271-Y275 WeakPolarHBondContact O-CD2 3.49Å; T271-Y275 PolarHBondContact O-N 2.72Å; Y275-P278 WeakPolarHBondContact O-CD 3.18Å; Y275-Y285 WeakPolarHBondContact O-CE1 3.44Å; Y275-Y285 PolarHBondContact O-OH 2.77Å; Y275-Y287 AromaticContact CD2-CE2 3.94Å; Y275-Y287 HydrophobicContact CD2-CE2 3.94Å; Y275-Y287 HydrophobicContact CG-CD2 4.47Å; Y275-Y287 HydrophobicContact CG-CE2 4.1Å
276	K	95.3	Very high	93.9	Very high	93 Å²	93	58.1 Å²	58.1	40%	0.404	28%	0.279	S	S	.	.	H	α-helix	trans	-87.4	-26.6	179.6	-155.6	175.7	-167.6	174.7	0	112.8	E272 M279 Y287	E272-K276 HydrophobicContact CG-CB 4.26Å; E272-K276 HydrophobicContact CG-CD 3.78Å; E272-K276 WeakPolarHBondContact O-CA 3.11Å; E272-K276 WeakPolarHBondContact O-CB 3.19Å; E272-K276 PolarHBondContact O-N 3.38Å; E272-K276 WeakPolarHBondContact OE1-CD 3.28Å; E272-K276 IonicContact OE1-NZ 2.9Å; E272-K276 PolarHBondContact OE1-NZ 2.93Å; K276-M279 HydrophobicContact CG-SD 3.59Å; K276-M279 VanDerWaalsContact CG-SD 3.59Å; K276-M279 VanDerWaalsContact O-CB 3.22Å; K276-M279 WeakPolarHBondContact O-CB 3.45Å; K276-M279 WeakPolarHBondContact O-CG 3.45Å; K276-M279 PolarHBondContact O-N 3.17Å; K276-Y287 HydrophobicContact CB-CD1 3.99Å; K276-Y287 HydrophobicContact CG-CD1 4.26Å
277	R	95.3	Very high	94.1	Very high	104 Å²	104	53 Å²	53	39%	0.392	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-55.5	-35.4	-179.9	-80.8	174.2	-169.3	158.5	-5.9	115.3	H269 E273 M279 F280	H269-R277 PolarHBondContact CD2-NH1 2.91Å; H269-R277 PolarHBondContact CD2-NH2 2.95Å; H269-R277 PolarHBondContact CE1-NH1 2.8Å; H269-R277 PolarHBondContact ND1-NH1 3.13Å; H269-R277 PolarHBondContact NE2-NH1 3.49Å; H269-R277 PolarHBondContact NE2-NH2 2.96Å; H269-R277 VanDerWaalsContact NE2-NH2 3.15Å; E273-R277 WeakPolarHBondContact O-CB 3.29Å; E273-R277 WeakPolarHBondContact O-CD 3.33Å; E273-R277 WeakPolarHBondContact O-CG 3.22Å; E273-R277 PolarHBondContact O-NE 3.31Å; R277-M279 PolarHBondContact O-N 2.77Å; R277-F280 VanDerWaalsContact O-CD2 3.28Å; R277-F280 WeakPolarHBondContact O-CD2 3.46Å; R277-F280 PolarHBondContact O-N 2.91Å
278	P	95.4	Very high	94.1	Very high	15 Å²	15	53.8 Å²	53.8	10%	0.097	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-57.1	-21	174.4	-24.4	33	0	0	0	114.5	F164 L168 Y275 F280 T281 M282 Y285	F164-P278 HydrophobicContact CE1-CG 3.9Å; L168-P278 HydrophobicContact CD1-CB 3.83Å; L168-P278 HydrophobicContact CD1-CG 3.66Å; Y275-P278 WeakPolarHBondContact O-CD 3.18Å; P278-F280 PolarHBondContact O-N 3.29Å; P278-F280 VanDerWaalsContact O-N 3.17Å; P278-T281 PolarHBondContact O-N 3.18Å; P278-T281 PolarHBondContact O-OG1 2.92Å; P278-M282 HydrophobicContact CB-SD 4.22Å; P278-M282 WeakPolarHBondContact O-CB 3.19Å; P278-M282 PolarHBondContact O-N 3.5Å; P278-Y285 HydrophobicContact CB-CD1 3.79Å; P278-Y285 HydrophobicContact CB-CD2 4.41Å; P278-Y285 HydrophobicContact CB-CE1 3.87Å; P278-Y285 HydrophobicContact CB-CE2 4.47Å; P278-Y285 HydrophobicContact CB-CG 4.09Å; P278-Y285 HydrophobicContact CG-CE1 4.16Å
279	M	93.8	Very high	93.9	Very high	83 Å²	83	55.1 Å²	55.1	41%	0.409	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-58.6	-26.4	174	-63.8	-179	68.6	0	0	113.1	K276 R277 T281 Y285	K276-M279 HydrophobicContact CG-SD 3.59Å; K276-M279 VanDerWaalsContact CG-SD 3.59Å; K276-M279 VanDerWaalsContact O-CB 3.22Å; K276-M279 WeakPolarHBondContact O-CB 3.45Å; K276-M279 WeakPolarHBondContact O-CG 3.45Å; K276-M279 PolarHBondContact O-N 3.17Å; R277-M279 PolarHBondContact O-N 2.77Å; M279-T281 VanDerWaalsContact C-N 3.33Å; M279-Y285 HydrophobicContact CG-CD1 3.64Å; M279-Y285 HydrophobicContact CG-CE1 4.15Å
280	F	93.4	Very high	93.7	Very high	184 Å²	184	54.3 Å²	54.3	81%	0.807	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-73.7	-25.1	176.9	-66	-69.9	0	0	0	113.2	R277 P278	R277-F280 VanDerWaalsContact O-CD2 3.28Å; R277-F280 WeakPolarHBondContact O-CD2 3.46Å; R277-F280 PolarHBondContact O-N 2.91Å; P278-F280 PolarHBondContact O-N 3.29Å; P278-F280 VanDerWaalsContact O-N 3.17Å
281	T	91.4	Very high	93.4	Very high	120 Å²	120	56.4 Å²	56.4	74%	0.736	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-16.4	-175.8	56.9	0	0	0	0	112.9	P278 M279	P278-T281 PolarHBondContact O-N 3.18Å; P278-T281 PolarHBondContact O-OG1 2.92Å; M279-T281 VanDerWaalsContact C-N 3.33Å
282	M	90.4	Very high	93.3	Very high	22 Å²	22	56.5 Å²	56.5	11%	0.108	27%	0.272	C	S	.	.			trans	-129	102.7	-175.2	-60.6	176.9	60.4	0	0	110.8	L168 Q172 I179 P278 G284 Y285	L168-M282 HydrophobicContact CB-SD 4.4Å; L168-M282 HydrophobicContact CD1-SD 4.16Å; Q172-M282 HydrophobicContact CG-CE 3.78Å; I179-M282 HydrophobicContact CD1-CE 3.77Å; P278-M282 HydrophobicContact CB-SD 4.22Å; P278-M282 WeakPolarHBondContact O-CB 3.19Å; P278-M282 PolarHBondContact O-N 3.5Å; M282-G284 VanDerWaalsContact C-N 3.26Å; M282-G284 PolarHBondContact O-N 3.24Å; M282-Y285 HydrophobicContact CE-CD2 4.43Å; M282-Y285 WeakPolarHBondContact O-CB 3.41Å; M282-Y285 PolarHBondContact O-N 3.47Å; M282-Y285 VanDerWaalsContact O-N 3.09Å
283	Q	85.9	Confident	93	Very high	209 Å²	209	54.4 Å²	54.4	98%	0.977	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.1	-177	-70.1	-178	-5.5	0	0	114.2
284	G	88.2	Confident	92.4	Very high	25 Å²	25	54.3 Å²	54.3	26%	0.258	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	6.4	179.1	0	0	0	0	0	114.6	E178 I179 M282	E178-G284 CarbonylContact C-O 3.56Å; E178-G284 VanDerWaalsContact CA-O 3.31Å; E178-G284 WeakPolarHBondContact CA-O 3.29Å; E178-G284 WeakPolarHBondContact CG-O 3.49Å; I179-G284 PolarHBondContact N-O 2.98Å; M282-G284 VanDerWaalsContact C-N 3.26Å; M282-G284 PolarHBondContact O-N 3.24Å
285	Y	94.1	Very high	91.6	Very high	3 Å²	3	58.1 Å²	58.1	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.1	-177.7	-179.1	-89.9	0	0	0	111.5	F164 L168 I179 F181 Y275 P278 M279 M282	F164-Y285 HydrophobicContact CZ-CE2 4.37Å; F164-Y285 WeakPolarHBondContact CZ-OH 3.28Å; L168-Y285 HydrophobicContact CD1-CE2 4.36Å; L168-Y285 HydrophobicContact CD2-CD2 4.12Å; L168-Y285 HydrophobicContact CD2-CE2 3.75Å; I179-Y285 HydrophobicContact CB-CD2 4.04Å; I179-Y285 HydrophobicContact CG2-CD2 3.91Å; I179-Y285 HydrophobicContact CG2-CE2 4.11Å; I179-Y285 CarbonylContact O-C 3.59Å; I179-Y285 VanDerWaalsContact O-CA 3.28Å; I179-Y285 WeakPolarHBondContact O-CA 3.44Å; F181-Y285 HydrophobicContact CB-CE2 3.79Å; F181-Y285 WeakPolarHBondContact CB-OH 3.39Å; Y275-Y285 WeakPolarHBondContact O-CE1 3.44Å; Y275-Y285 PolarHBondContact O-OH 2.77Å; P278-Y285 HydrophobicContact CB-CD1 3.79Å; P278-Y285 HydrophobicContact CB-CD2 4.41Å; P278-Y285 HydrophobicContact CB-CE1 3.87Å; P278-Y285 HydrophobicContact CB-CE2 4.47Å; P278-Y285 HydrophobicContact CB-CG 4.09Å; P278-Y285 HydrophobicContact CG-CE1 4.16Å; M279-Y285 HydrophobicContact CG-CD1 3.64Å; M279-Y285 HydrophobicContact CG-CE1 4.15Å; M282-Y285 HydrophobicContact CE-CD2 4.43Å; M282-Y285 WeakPolarHBondContact O-CB 3.41Å; M282-Y285 PolarHBondContact O-N 3.47Å; M282-Y285 VanDerWaalsContact O-N 3.09Å
286	R	94	Very high	91	Very high	66 Å²	66	58.5 Å²	58.5	25%	0.249	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.3	171.4	-58.8	-171	-163.4	109.4	19.3	110.5	E178 I179 I180 F181 F288	E178-R286 IonicContact OE1-CZ 3.04Å; E178-R286 IonicContact OE1-NH1 2.7Å; E178-R286 PolarHBondContact OE1-NH1 3.34Å; E178-R286 IonicContact OE1-NH2 2.7Å; E178-R286 PolarHBondContact OE1-NH2 2.85Å; I179-R286 PolarHBondContact O-N 3.02Å; I180-R286 HydrophobicContact CG1-CB 4.49Å; I180-R286 HydrophobicContact CG2-CB 4.41Å; F181-R286 PolarHBondContact N-O 3.41Å; R286-F288 HydrophobicContact CB-CE2 3.93Å
287	Y	94.8	Very high	90.8	Very high	23 Å²	23	54.3 Å²	54.3	9%	0.09	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.9	176.8	167.5	-120.1	0	0	0	110.4	F181 C183 E272 Y275 K276	F181-Y287 AromaticContact CD1-CD2 3.8Å; F181-Y287 HydrophobicContact CD1-CD2 3.8Å; F181-Y287 HydrophobicContact CD1-CE2 4.16Å; F181-Y287 HydrophobicContact CE1-CD2 4.48Å; F181-Y287 HydrophobicContact CE1-CE2 4.41Å; F181-Y287 WeakPolarHBondContact O-CA 3.29Å; C183-Y287 HydrophobicContact CB-CE2 3.71Å; E272-Y287 HydrophobicContact CG-CE1 4.39Å; Y275-Y287 AromaticContact CD2-CE2 3.94Å; Y275-Y287 HydrophobicContact CD2-CE2 3.94Å; Y275-Y287 HydrophobicContact CG-CD2 4.47Å; Y275-Y287 HydrophobicContact CG-CE2 4.1Å; K276-Y287 HydrophobicContact CB-CD1 3.99Å; K276-Y287 HydrophobicContact CG-CD1 4.26Å
288	F	95.1	Very high	90.7	Very high	39 Å²	39	49.4 Å²	49.4	17%	0.171	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.1	170.2	-62.5	-78.3	0	0	0	111	I180 F181 F182 C183 R286 I309	I180-F288 HydrophobicContact CG2-CD2 3.63Å; I180-F288 HydrophobicContact CG2-CE2 3.72Å; F181-F288 PolarHBondContact O-N 3.33Å; F182-F288 WeakPolarHBondContact CA-O 3.43Å; F182-F288 HydrophobicContact CD1-CB 4.17Å; F182-F288 HydrophobicContact CE1-CB 4.37Å; F182-F288 HydrophobicContact CE1-CD2 4.4Å; C183-F288 PolarHBondContact N-O 2.92Å; R286-F288 HydrophobicContact CB-CE2 3.93Å; F288-I309 HydrophobicContact CB-CD1 3.68Å; F288-I309 HydrophobicContact CB-CG1 4.3Å; F288-I309 HydrophobicContact CD1-CB 4.44Å; F288-I309 HydrophobicContact CD1-CD1 3.94Å; F288-I309 HydrophobicContact CD1-CG1 3.61Å; F288-I309 HydrophobicContact CD1-CG2 4.09Å; F288-I309 HydrophobicContact CD2-CG1 4.44Å; F288-I309 HydrophobicContact CD2-CG2 3.49Å; F288-I309 VanDerWaalsContact CD2-CG2 3.49Å; F288-I309 HydrophobicContact CE1-CB 4.46Å; F288-I309 HydrophobicContact CE1-CG1 3.95Å; F288-I309 HydrophobicContact CE1-CG2 4.05Å; F288-I309 HydrophobicContact CE2-CG2 3.46Å; F288-I309 VanDerWaalsContact CE2-CG2 3.46Å; F288-I309 HydrophobicContact CG-CB 4.5Å; F288-I309 HydrophobicContact CG-CD1 3.81Å; F288-I309 HydrophobicContact CG-CG1 3.87Å; F288-I309 HydrophobicContact CG-CG2 3.81Å; F288-I309 HydrophobicContact CZ-CG2 3.74Å
289	R	93.7	Very high	90.5	Very high	29 Å²	29	49.6 Å²	49.6	11%	0.109	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.5	164.7	-170.9	72.2	177.2	-117.2	3.4	108.3	C183 R185 E187 V222 E223 E226 T271	C183-R289 WeakPolarHBondContact O-CA 3.4Å; C183-R289 WeakPolarHBondContact O-CD 3.45Å; R185-R289 PolarHBondContact O-NE 3.14Å; R185-R289 PolarHBondContact O-NH2 3.38Å; E187-R289 PolarHBondContact O-NH2 3.23Å; V222-R289 VanDerWaalsContact CG1-NH2 3.27Å; E223-R289 WeakPolarHBondContact OE1-CB 3.38Å; E223-R289 WeakPolarHBondContact OE1-CG 3.3Å; E226-R289 IonicContact OE1-CZ 3.46Å; E226-R289 IonicContact OE1-NH1 3.98Å; E226-R289 PolarHBondContact OE1-NH1 3.49Å; E226-R289 IonicContact OE1-NH2 3.57Å; E226-R289 PolarHBondContact OE1-NH2 3.35Å; E226-R289 IonicContact OE2-NH1 4Å; T271-R289 PolarHBondContact OG1-NH1 3.49Å
290	L	93.2	Very high	90.5	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	78.8	-179.8	-179.6	70	0	0	0	109	F182 C183 I184 L292 A305 F306	F182-L290 HydrophobicContact CD1-CD2 4.45Å; C183-L290 PolarHBondContact O-N 3.22Å; I184-L290 CarbonylContact C-O 3.59Å; I184-L290 WeakPolarHBondContact CA-O 3.46Å; I184-L290 WeakPolarHBondContact CB-O 3.36Å; I184-L290 HydrophobicContact CG2-CB 4.34Å; L290-L292 HydrophobicContact CD2-CD2 4.34Å; L290-L292 HydrophobicContact CG-CD2 4.15Å; L290-L292 HydrophobicContact CG-CG 4.47Å; L290-L292 PolarHBondContact O-N 3.14Å; L290-A305 HydrophobicContact CD1-CB 3.65Å; L290-F306 HydrophobicContact CD1-CB 4.29Å; L290-F306 HydrophobicContact CD2-CB 3.93Å; L290-F306 HydrophobicContact CD2-CD2 3.71Å; L290-F306 HydrophobicContact CD2-CG 4.15Å
291	P	91.1	Very high	90.4	Very high	46 Å²	46	41 Å²	41	30%	0.299	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	104	-171.9	27.5	-33.9	0	0	0	111	E186	E186-P291 HydrophobicContact CB-CB 4.12Å
292	L	91.4	Very high	90.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.5	175.6	-61.9	-177.8	0	0	0	110.1	I184 L290 P298 D302 R339 A343	I184-L292 HydrophobicContact CB-CD1 4.22Å; I184-L292 HydrophobicContact CB-CG 4.19Å; I184-L292 HydrophobicContact CD1-CD1 4.4Å; I184-L292 HydrophobicContact CG2-CD1 4.24Å; I184-L292 HydrophobicContact CG2-CG 4.42Å; I184-L292 PolarHBondContact O-N 2.98Å; L290-L292 HydrophobicContact CD2-CD2 4.34Å; L290-L292 HydrophobicContact CG-CD2 4.15Å; L290-L292 HydrophobicContact CG-CG 4.47Å; L290-L292 PolarHBondContact O-N 3.14Å; L292-P298 HydrophobicContact CD2-CB 4.17Å; L292-P298 HydrophobicContact CD2-CG 4.19Å; L292-D302 HydrophobicContact CD2-CB 4.1Å; L292-R339 WeakPolarHBondContact O-CD 3.46Å; L292-A343 HydrophobicContact CD1-CB 3.97Å
293	P	88.3	Confident	90.8	Very high	24 Å²	24	35.2 Å²	35.2	16%	0.156	18%	0.179	C	C	.	.			trans	-68.9	143.8	-178.1	29.8	-36.4	0	0	0	111.4	E295 R339	P293-E295 VanDerWaalsContact C-N 3.34Å; P293-E295 WeakPolarHBondContact CB-O 3.43Å; P293-R339 WeakPolarHBondContact O-CG 3.34Å
294	V	83.4	Confident	91.3	Very high	48 Å²	48	26 Å²	26	29%	0.291	14%	0.137	S	C	.	.	S	Bend	trans	-64.4	-40.5	174.6	171.2	0	0	0	0	111.3	E186 R339	E186-V294 WeakPolarHBondContact OE1-CG2 3.18Å; E186-V294 PolarHBondContact OE1-N 3.32Å; V294-R339 VanDerWaalsContact CG2-CZ 3.47Å
295	E	79.1	Confident	91.6	Very high	84 Å²	84	26.7 Å²	26.7	39%	0.393	14%	0.14	S	C	.	.	S	Bend	trans	-116.6	153.2	-178.6	-59.8	-160.1	163.4	0	0	112	P293 Q444	P293-E295 VanDerWaalsContact C-N 3.34Å; P293-E295 WeakPolarHBondContact CB-O 3.43Å; E295-Q444 PolarHBondContact OE2-NE2 3.39Å; E295-Q444 VanDerWaalsContact OE2-NE2 3.16Å
296	G	83.9	Confident	91.7	Very high	8 Å²	8	26.7 Å²	26.7	8%	0.082	14%	0.14	C	C	.	.	S	Bend	trans	72.4	-164.5	-179	0	0	0	0	0	114.8	R448	G296-R448 PolarHBondContact O-NE 3.2Å; G296-R448 PolarHBondContact O-NH2 2.83Å
297	A	90.6	Very high	91.7	Very high	4 Å²	4	23.6 Å²	23.6	3%	0.033	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-97	148.3	176.8	0	0	0	0	0	111.4	E447 R448 Y451 R873	A297-E447 HydrophobicContact CB-CB 4.45Å; A297-E447 HydrophobicContact CB-CG 3.76Å; A297-R448 HydrophobicContact CB-CB 4.31Å; A297-Y451 HydrophobicContact CB-CD2 3.52Å; A297-Y451 HydrophobicContact CB-CE2 4.2Å; A297-Y451 HydrophobicContact CB-CG 4.19Å; A297-R873 PolarHBondContact O-NH2 3.21Å; A297-R873 VanDerWaalsContact O-NH2 3.08Å
298	P	93.1	Very high	91.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-53.4	151.8	174.5	-22.3	33	0	0	0	112.4	L292 D302 F303 L342 R873	L292-P298 HydrophobicContact CD2-CB 4.17Å; L292-P298 HydrophobicContact CD2-CG 4.19Å; P298-D302 HydrophobicContact CB-CB 3.88Å; P298-F303 HydrophobicContact CB-CD2 4.21Å; P298-F303 HydrophobicContact CB-CE2 3.77Å; P298-F303 HydrophobicContact CB-CZ 4.1Å; P298-F303 HydrophobicContact CG-CE2 4.24Å; P298-F303 HydrophobicContact CG-CZ 4.09Å; P298-L342 HydrophobicContact CG-CD2 3.65Å; P298-R873 PolarHBondContact O-NH1 3.31Å
299	L	91.6	Very high	91.4	Very high	20 Å²	20	23.8 Å²	23.8	11%	0.105	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-72.3	157.6	171.3	-57.6	-168	0	0	0	111	E301 D302 F303 Y874	L299-E301 PolarHBondContact O-N 2.76Å; L299-D302 PolarHBondContact N-OD2 3.03Å; L299-D302 WeakPolarHBondContact O-CA 3.07Å; L299-D302 VanDerWaalsContact O-CB 3.29Å; L299-D302 WeakPolarHBondContact O-CB 3.48Å; L299-D302 PolarHBondContact O-N 3.22Å; L299-F303 VanDerWaalsContact O-CD2 3.24Å; L299-F303 WeakPolarHBondContact O-CD2 3.41Å; L299-F303 PolarHBondContact O-N 3.16Å; L299-F303 VanDerWaalsContact O-N 3.1Å; L299-Y874 WeakPolarHBondContact CD2-OH 3.49Å
300	E	94.3	Very high	91.2	Very high	11 Å²	11	22.4 Å²	22.4	5%	0.051	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-34	176.7	-64.2	90.8	129.7	0	0	110.9	D302 F303 D304 F471 M475 Y482 R873	E300-D302 VanDerWaalsContact C-N 3.31Å; E300-D302 PolarHBondContact O-N 3.11Å; E300-F303 PolarHBondContact O-N 3.01Å; E300-D304 VanDerWaalsContact O-CG 3.32Å; E300-D304 PolarHBondContact O-N 3.3Å; E300-F471 HydrophobicContact CB-CD1 4.1Å; E300-F471 HydrophobicContact CB-CE1 4.43Å; E300-F471 HydrophobicContact CG-CD1 4.12Å; E300-F471 HydrophobicContact CG-CE1 3.98Å; E300-M475 HydrophobicContact CG-CG 4.28Å; E300-Y482 WeakPolarHBondContact OE1-CE1 3.43Å; E300-Y482 PolarHBondContact OE1-OH 3.1Å; E300-R873 VanDerWaalsContact OE2-CD 3.25Å; E300-R873 WeakPolarHBondContact OE2-CD 3.28Å; E300-R873 IonicContact OE2-CZ 3.03Å; E300-R873 IonicContact OE2-NE 3.4Å; E300-R873 IonicContact OE2-NH1 3.59Å; E300-R873 PolarHBondContact OE2-NH1 2.83Å
301	E	91.5	Very high	90.9	Very high	74 Å²	74	26.9 Å²	26.9	35%	0.346	14%	0.144	S	C	.	.	H	α-helix	trans	-64.1	-33	171.6	-64	80.9	-175.7	0	0	112.8	L299 D304 A305 R871	L299-E301 PolarHBondContact O-N 2.76Å; E301-D304 PolarHBondContact O-N 3.27Å; E301-A305 WeakPolarHBondContact O-CB 3.49Å; E301-A305 PolarHBondContact O-N 3.1Å; E301-R871 IonicContact OE1-CZ 3.43Å; E301-R871 IonicContact OE1-NH1 3.3Å; E301-R871 IonicContact OE1-NH2 2.77Å; E301-R871 PolarHBondContact OE1-NH2 2.99Å
302	D	93.3	Very high	90.6	Very high	19 Å²	19	31.2 Å²	31.2	10%	0.102	16%	0.16	C	C	.	.	H	α-helix	trans	-70	-40.2	175.2	-56.9	-34.7	0	0	0	110.6	L292 P298 L299 E300 A305 F306	L292-D302 HydrophobicContact CD2-CB 4.1Å; P298-D302 HydrophobicContact CB-CB 3.88Å; L299-D302 PolarHBondContact N-OD2 3.03Å; L299-D302 WeakPolarHBondContact O-CA 3.07Å; L299-D302 VanDerWaalsContact O-CB 3.29Å; L299-D302 WeakPolarHBondContact O-CB 3.48Å; L299-D302 PolarHBondContact O-N 3.22Å; E300-D302 VanDerWaalsContact C-N 3.31Å; E300-D302 PolarHBondContact O-N 3.11Å; D302-A305 PolarHBondContact O-N 3.26Å; D302-F306 PolarHBondContact O-N 2.83Å
303	F	96.6	Very high	90.3	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.013	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-41.4	172.4	-72.8	-74.3	0	0	0	111.5	P298 L299 E300 F306 V307 L346 Y451 F455 F471	P298-F303 HydrophobicContact CB-CD2 4.21Å; P298-F303 HydrophobicContact CB-CE2 3.77Å; P298-F303 HydrophobicContact CB-CZ 4.1Å; P298-F303 HydrophobicContact CG-CE2 4.24Å; P298-F303 HydrophobicContact CG-CZ 4.09Å; L299-F303 VanDerWaalsContact O-CD2 3.24Å; L299-F303 WeakPolarHBondContact O-CD2 3.41Å; L299-F303 PolarHBondContact O-N 3.16Å; L299-F303 VanDerWaalsContact O-N 3.1Å; E300-F303 PolarHBondContact O-N 3.01Å; F303-F306 PolarHBondContact O-N 3.09Å; F303-V307 WeakPolarHBondContact O-CB 3.36Å; F303-V307 VanDerWaalsContact O-CG2 3.27Å; F303-V307 WeakPolarHBondContact O-CG2 3.32Å; F303-V307 PolarHBondContact O-N 2.75Å; F303-L346 HydrophobicContact CE1-CD1 4.41Å; F303-L346 HydrophobicContact CE1-CD2 3.8Å; F303-Y451 HydrophobicContact CE2-CD1 4.11Å; F303-Y451 HydrophobicContact CE2-CG 4.39Å; F303-F455 HydrophobicContact CD1-CB 4.3Å; F303-F455 HydrophobicContact CD1-CD1 4.47Å; F303-F455 AromaticContact CD1-CD2 3.4Å; F303-F455 HydrophobicContact CD1-CD2 3.4Å; F303-F455 AromaticContact CD1-CE2 3.75Å; F303-F455 HydrophobicContact CD1-CE2 3.75Å; F303-F455 AromaticContact CD1-CG 3.81Å; F303-F455 HydrophobicContact CD1-CG 3.81Å; F303-F455 HydrophobicContact CD1-CZ 4.41Å; F303-F455 HydrophobicContact CE1-CB 3.87Å; F303-F455 HydrophobicContact CE1-CD1 4.3Å; F303-F455 AromaticContact CE1-CD2 3.84Å; F303-F455 HydrophobicContact CE1-CD2 3.84Å; F303-F455 HydrophobicContact CE1-CE2 4.48Å; F303-F455 AromaticContact CE1-CG 3.74Å; F303-F455 HydrophobicContact CE1-CG 3.74Å; F303-F455 HydrophobicContact CG-CD2 4.23Å; F303-F471 HydrophobicContact CB-CB 3.85Å; F303-F471 HydrophobicContact CB-CD1 3.43Å; F303-F471 VanDerWaalsContact CB-CD1 3.43Å; F303-F471 HydrophobicContact CB-CD2 4.47Å; F303-F471 HydrophobicContact CB-CE1 4.07Å; F303-F471 HydrophobicContact CB-CG 3.66Å; F303-F471 AromaticContact CD2-CD1 3.81Å; F303-F471 HydrophobicContact CD2-CD1 3.81Å; F303-F471 AromaticContact CD2-CE1 3.56Å; F303-F471 HydrophobicContact CD2-CE1 3.56Å; F303-F471 HydrophobicContact CD2-CZ 4.26Å; F303-F471 HydrophobicContact CE2-CE1 4.16Å; F303-F471 AromaticContact CG-CD1 3.79Å; F303-F471 HydrophobicContact CG-CD1 3.79Å; F303-F471 AromaticContact CG-CE1 3.9Å; F303-F471 HydrophobicContact CG-CE1 3.9Å; F303-F471 HydrophobicContact CG-CG 4.23Å; F303-F471 HydrophobicContact CG-CZ 4.45Å
304	D	96.2	Very high	89.8	Confident	16 Å²	16	34 Å²	34	9%	0.086	18%	0.179	C	C	.	.	H	α-helix	trans	-60	-45.7	174.5	-75.6	-13.7	0	0	0	111.4	E300 E301 F306 V307 N308 N470 F471 S472	E300-D304 VanDerWaalsContact O-CG 3.32Å; E300-D304 PolarHBondContact O-N 3.3Å; E301-D304 PolarHBondContact O-N 3.27Å; D304-F306 VanDerWaalsContact C-N 3.34Å; D304-F306 PolarHBondContact O-N 2.81Å; D304-V307 PolarHBondContact O-N 2.82Å; D304-N308 WeakPolarHBondContact O-CB 3.43Å; D304-N308 PolarHBondContact O-N 2.84Å; D304-N308 PolarHBondContact O-ND2 3.03Å; D304-N470 VanDerWaalsContact OD1-CB 3.25Å; D304-N470 WeakPolarHBondContact OD1-CB 3.41Å; D304-N470 PolarHBondContact OD2-ND2 3.09Å; D304-N470 VanDerWaalsContact OD2-ND2 3.11Å; D304-F471 WeakPolarHBondContact OD1-CA 3.46Å; D304-F471 WeakPolarHBondContact OD1-CB 3.41Å; D304-F471 PolarHBondContact OD1-N 3.06Å; D304-S472 PolarHBondContact OD1-N 3Å; D304-S472 WeakPolarHBondContact OD2-CB 3.29Å; D304-S472 PolarHBondContact OD2-OG 2.9Å
305	A	94.8	Very high	89.7	Confident	39 Å²	39	32 Å²	32	32%	0.322	17%	0.166	S	C	.	.	H	α-helix	trans	-59.8	-44.9	175.7	0	0	0	0	0	111.1	L290 E301 D302 N308 I309	L290-A305 HydrophobicContact CD1-CB 3.65Å; E301-A305 WeakPolarHBondContact O-CB 3.49Å; E301-A305 PolarHBondContact O-N 3.1Å; D302-A305 PolarHBondContact O-N 3.26Å; A305-N308 PolarHBondContact O-N 2.86Å; A305-I309 VanDerWaalsContact O-CG1 3.3Å; A305-I309 WeakPolarHBondContact O-CG1 3.33Å; A305-I309 PolarHBondContact O-N 3.37Å; A305-I309 VanDerWaalsContact O-N 3.12Å
306	F	95.2	Very high	89.8	Confident	3 Å²	3	28 Å²	28	1%	0.013	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-47	175.4	-174.6	-123.7	0	0	0	112.1	F182 L290 D302 F303 D304 N308 I309 L310 F331 L346 V350 F455	F182-F306 HydrophobicContact CE1-CD2 4.12Å; F182-F306 HydrophobicContact CE1-CE2 4.01Å; F182-F306 HydrophobicContact CZ-CE2 4.19Å; L290-F306 HydrophobicContact CD1-CB 4.29Å; L290-F306 HydrophobicContact CD2-CB 3.93Å; L290-F306 HydrophobicContact CD2-CD2 3.71Å; L290-F306 HydrophobicContact CD2-CG 4.15Å; D302-F306 PolarHBondContact O-N 2.83Å; F303-F306 PolarHBondContact O-N 3.09Å; D304-F306 VanDerWaalsContact C-N 3.34Å; D304-F306 PolarHBondContact O-N 2.81Å; F306-N308 VanDerWaalsContact C-N 3.34Å; F306-N308 PolarHBondContact O-N 2.63Å; F306-I309 WeakPolarHBondContact O-CB 3.38Å; F306-I309 PolarHBondContact O-N 3.01Å; F306-L310 HydrophobicContact CD1-CD1 4.33Å; F306-L310 HydrophobicContact CE1-CD1 4.08Å; F306-L310 HydrophobicContact CE2-CD2 4.34Å; F306-L310 HydrophobicContact CZ-CD1 4.49Å; F306-L310 HydrophobicContact CZ-CD2 4.15Å; F306-L310 WeakPolarHBondContact O-CG 3.33Å; F306-L310 PolarHBondContact O-N 2.82Å; F306-F331 HydrophobicContact CE2-CE1 4.45Å; F306-L346 HydrophobicContact CE1-CB 3.88Å; F306-L346 HydrophobicContact CZ-CB 4.21Å; F306-V350 HydrophobicContact CE1-CG2 3.89Å; F306-V350 HydrophobicContact CZ-CG2 4.22Å; F306-F455 HydrophobicContact CD1-CE1 4.36Å; F306-F455 AromaticContact CD1-CZ 3.86Å; F306-F455 HydrophobicContact CD1-CZ 3.86Å; F306-F455 HydrophobicContact CE1-CE1 4.23Å; F306-F455 HydrophobicContact CE1-CZ 4.09Å
307	V	94.1	Very high	89.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-39.2	178	168.7	0	0	0	0	111.9	F303 D304 I309 L310 R311 F455 Y458 F467	F303-V307 WeakPolarHBondContact O-CB 3.36Å; F303-V307 VanDerWaalsContact O-CG2 3.27Å; F303-V307 WeakPolarHBondContact O-CG2 3.32Å; F303-V307 PolarHBondContact O-N 2.75Å; D304-V307 PolarHBondContact O-N 2.82Å; V307-I309 VanDerWaalsContact C-N 3.3Å; V307-I309 PolarHBondContact O-N 2.83Å; V307-L310 WeakPolarHBondContact O-CB 3.37Å; V307-L310 PolarHBondContact O-N 3.09Å; V307-L310 VanDerWaalsContact O-N 3.14Å; V307-R311 PolarHBondContact O-N 2.91Å; V307-F455 HydrophobicContact CG2-CE2 3.91Å; V307-F455 HydrophobicContact CG2-CZ 4.32Å; V307-Y458 HydrophobicContact CG1-CE1 4.47Å; V307-Y458 HydrophobicContact CG2-CE1 3.66Å; V307-F467 HydrophobicContact CG1-CB 3.72Å; V307-F467 HydrophobicContact CG1-CD1 3.61Å; V307-F467 HydrophobicContact CG1-CD2 4.07Å; V307-F467 HydrophobicContact CG1-CE1 4.12Å; V307-F467 HydrophobicContact CG1-CG 3.55Å; V307-F467 HydrophobicContact CG2-CE1 4.47Å
308	N	93.3	Very high	88.1	Confident	56 Å²	56	33 Å²	33	30%	0.299	17%	0.174	S	C	.	.	H	α-helix	trans	-60.7	-42.2	175.3	-70.7	-25.7	0	0	0	110.9	D304 A305 F306 L310 R311 E312	D304-N308 WeakPolarHBondContact O-CB 3.43Å; D304-N308 PolarHBondContact O-N 2.84Å; D304-N308 PolarHBondContact O-ND2 3.03Å; A305-N308 PolarHBondContact O-N 2.86Å; F306-N308 VanDerWaalsContact C-N 3.34Å; F306-N308 PolarHBondContact O-N 2.63Å; N308-L310 VanDerWaalsContact C-N 3.31Å; N308-L310 PolarHBondContact O-N 3.02Å; N308-R311 PolarHBondContact O-N 3.35Å; N308-R311 PolarHBondContact OD1-NH1 2.84Å; N308-E312 WeakPolarHBondContact O-CB 3.41Å; N308-E312 WeakPolarHBondContact O-CG 3.45Å; N308-E312 PolarHBondContact O-N 2.93Å
309	I	91.8	Very high	86.4	Confident	11 Å²	11	36.7 Å²	36.7	6%	0.056	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-40.5	174.3	-64.4	162.7	0	0	0	111.5	F182 F288 A305 F306 V307 E312 S313	F182-I309 HydrophobicContact CD1-CD1 4.4Å; F182-I309 HydrophobicContact CE1-CB 4.45Å; F182-I309 HydrophobicContact CE1-CD1 3.96Å; F182-I309 HydrophobicContact CE1-CG2 3.71Å; F182-I309 HydrophobicContact CZ-CG2 3.9Å; F288-I309 HydrophobicContact CB-CD1 3.68Å; F288-I309 HydrophobicContact CB-CG1 4.3Å; F288-I309 HydrophobicContact CD1-CB 4.44Å; F288-I309 HydrophobicContact CD1-CD1 3.94Å; F288-I309 HydrophobicContact CD1-CG1 3.61Å; F288-I309 HydrophobicContact CD1-CG2 4.09Å; F288-I309 HydrophobicContact CD2-CG1 4.44Å; F288-I309 HydrophobicContact CD2-CG2 3.49Å; F288-I309 VanDerWaalsContact CD2-CG2 3.49Å; F288-I309 HydrophobicContact CE1-CB 4.46Å; F288-I309 HydrophobicContact CE1-CG1 3.95Å; F288-I309 HydrophobicContact CE1-CG2 4.05Å; F288-I309 HydrophobicContact CE2-CG2 3.46Å; F288-I309 VanDerWaalsContact CE2-CG2 3.46Å; F288-I309 HydrophobicContact CG-CB 4.5Å; F288-I309 HydrophobicContact CG-CD1 3.81Å; F288-I309 HydrophobicContact CG-CG1 3.87Å; F288-I309 HydrophobicContact CG-CG2 3.81Å; F288-I309 HydrophobicContact CZ-CG2 3.74Å; A305-I309 VanDerWaalsContact O-CG1 3.3Å; A305-I309 WeakPolarHBondContact O-CG1 3.33Å; A305-I309 PolarHBondContact O-N 3.37Å; A305-I309 VanDerWaalsContact O-N 3.12Å; F306-I309 WeakPolarHBondContact O-CB 3.38Å; F306-I309 PolarHBondContact O-N 3.01Å; V307-I309 VanDerWaalsContact C-N 3.3Å; V307-I309 PolarHBondContact O-N 2.83Å; I309-E312 PolarHBondContact O-N 2.74Å; I309-S313 VanDerWaalsContact O-CB 3.3Å; I309-S313 WeakPolarHBondContact O-CB 3.18Å; I309-S313 PolarHBondContact O-N 2.76Å; I309-S313 VanDerWaalsContact O-N 3.13Å; I309-S313 PolarHBondContact O-OG 3.36Å
310	L	88.7	Confident	84.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-44	175.4	-58.9	-179.8	0	0	0	111.5	F306 V307 N308 E312 S313 L316 C317 V350 F467	F306-L310 HydrophobicContact CD1-CD1 4.33Å; F306-L310 HydrophobicContact CE1-CD1 4.08Å; F306-L310 HydrophobicContact CE2-CD2 4.34Å; F306-L310 HydrophobicContact CZ-CD1 4.49Å; F306-L310 HydrophobicContact CZ-CD2 4.15Å; F306-L310 WeakPolarHBondContact O-CG 3.33Å; F306-L310 PolarHBondContact O-N 2.82Å; V307-L310 WeakPolarHBondContact O-CB 3.37Å; V307-L310 PolarHBondContact O-N 3.09Å; V307-L310 VanDerWaalsContact O-N 3.14Å; N308-L310 VanDerWaalsContact C-N 3.31Å; N308-L310 PolarHBondContact O-N 3.02Å; L310-E312 VanDerWaalsContact C-N 3.33Å; L310-E312 PolarHBondContact O-N 3.13Å; L310-S313 PolarHBondContact O-N 2.97Å; L310-L316 HydrophobicContact CD2-CB 4.43Å; L310-L316 HydrophobicContact CD2-CD1 3.64Å; L310-C317 PolarHBondContact O-SG 3.16Å; L310-C317 VanDerWaalsContact O-SG 3.34Å; L310-V350 HydrophobicContact CD1-CB 4.5Å; L310-V350 HydrophobicContact CD1-CG1 4.06Å; L310-V350 HydrophobicContact CD1-CG2 3.56Å; L310-V350 HydrophobicContact CD2-CG1 3.92Å; L310-V350 HydrophobicContact CD2-CG2 4.36Å; L310-F467 HydrophobicContact CB-CE2 3.98Å; L310-F467 HydrophobicContact CB-CZ 4.35Å; L310-F467 HydrophobicContact CD1-CE2 4.42Å; L310-F467 HydrophobicContact CD1-CZ 3.95Å
311	R	87.3	Confident	82.7	Confident	96 Å²	96	40.7 Å²	40.7	36%	0.362	24%	0.238	S	C	.	.	H	α-helix	trans	-65.2	-35.9	178.6	-166.6	-168.9	-64.8	122.7	0.1	112.3	V307 N308 S313 C317 F467	V307-R311 PolarHBondContact O-N 2.91Å; N308-R311 PolarHBondContact O-N 3.35Å; N308-R311 PolarHBondContact OD1-NH1 2.84Å; R311-S313 VanDerWaalsContact C-N 3.3Å; R311-C317 PolarHBondContact O-SG 3.39Å; R311-F467 HydrophobicContact CB-CD2 4.48Å; R311-F467 PolarHBondContact NH2-O 3.18Å
312	E	85.3	Confident	80.9	Confident	137 Å²	137	42.5 Å²	42.5	64%	0.64	27%	0.265	S	S	*	.	H	α-helix	trans	-81.1	-10.5	179.1	-71.3	176.5	-171.8	0	0	113.2	N308 I309 L310 P314	N308-E312 WeakPolarHBondContact O-CB 3.41Å; N308-E312 WeakPolarHBondContact O-CG 3.45Å; N308-E312 PolarHBondContact O-N 2.93Å; I309-E312 PolarHBondContact O-N 2.74Å; L310-E312 VanDerWaalsContact C-N 3.33Å; L310-E312 PolarHBondContact O-N 3.13Å; E312-P314 WeakPolarHBondContact O-CD 3.37Å
313	S	84.4	Confident	78.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	30%	0.296	C	S	.	.			trans	-100.1	102.7	179.9	-67	0	0	0	0	110.7	I309 L310 R311 S315 L316 C317	I309-S313 VanDerWaalsContact O-CB 3.3Å; I309-S313 WeakPolarHBondContact O-CB 3.18Å; I309-S313 PolarHBondContact O-N 2.76Å; I309-S313 VanDerWaalsContact O-N 3.13Å; I309-S313 PolarHBondContact O-OG 3.36Å; L310-S313 PolarHBondContact O-N 2.97Å; R311-S313 VanDerWaalsContact C-N 3.3Å; S313-S315 PolarHBondContact O-N 3.18Å; S313-L316 PolarHBondContact O-N 3.09Å; S313-C317 PolarHBondContact O-N 2.91Å; S313-C317 PolarHBondContact O-SG 2.84Å
314	P	77.7	Confident	77.5	Confident	85 Å²	85	54.3 Å²	54.3	55%	0.552	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.4	-173.1	-24.2	35.1	0	0	0	114.1	E312 L316	E312-P314 WeakPolarHBondContact O-CD 3.37Å; P314-L316 VanDerWaalsContact C-N 3.28Å
315	S	81.1	Confident	76.5	Confident	4 Å²	4	58.4 Å²	58.4	3%	0.028	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.9	177.3	53.5	0	0	0	0	114.2	E178 S313	E178-S315 PolarHBondContact OE1-OG 3.4Å; E178-S315 WeakPolarHBondContact OE2-CB 3.22Å; E178-S315 PolarHBondContact OE2-OG 3.3Å; S313-S315 PolarHBondContact O-N 3.18Å
316	L	81.6	Confident	75.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-7	175	-63.7	176.2	0	0	0	112.5	I180 L310 S313 P314 P327 L329 L354 Y463	I180-L316 HydrophobicContact CD1-CD1 3.83Å; I180-L316 HydrophobicContact CD1-CG 4.43Å; L310-L316 HydrophobicContact CD2-CB 4.43Å; L310-L316 HydrophobicContact CD2-CD1 3.64Å; S313-L316 PolarHBondContact O-N 3.09Å; P314-L316 VanDerWaalsContact C-N 3.28Å; L316-P327 HydrophobicContact CD1-CG 4.44Å; L316-P327 HydrophobicContact CD2-CG 3.41Å; L316-P327 VanDerWaalsContact CD2-CG 3.41Å; L316-P327 HydrophobicContact CG-CG 3.78Å; L316-L329 HydrophobicContact CD1-CD2 4.16Å; L316-L354 HydrophobicContact CD2-CD2 4.27Å; L316-Y463 WeakPolarHBondContact O-CE2 3.48Å; L316-Y463 PolarHBondContact O-OH 2.8Å
317	C	71.9	Confident	75.6	Confident	33 Å²	33	57.8 Å²	57.8	22%	0.223	34%	0.343	C	S	.	.	S	Bend	trans	-83.4	161.8	-179.2	-71.2	0	0	0	0	113.6	L310 R311 S313	L310-C317 PolarHBondContact O-SG 3.16Å; L310-C317 VanDerWaalsContact O-SG 3.34Å; R311-C317 PolarHBondContact O-SG 3.39Å; S313-C317 PolarHBondContact O-N 2.91Å; S313-C317 PolarHBondContact O-SG 2.84Å
318	L	65.8	Low	75.6	Confident	84 Å²	84	57.8 Å²	57.8	44%	0.44	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	142.4	171.7	-79.4	163.5	0	0	0	112.7	Y463 P464 A466	L318-Y463 WeakPolarHBondContact CD1-O 3.33Å; L318-Y463 HydrophobicContact CD2-CD1 4.12Å; L318-Y463 HydrophobicContact CD2-CE1 4.06Å; L318-Y463 HydrophobicContact CG-CD1 4.45Å; L318-Y463 HydrophobicContact CG-CE1 4.37Å; L318-Y463 WeakPolarHBondContact CG-O 3.49Å; L318-P464 VanDerWaalsContact CD1-C 3.47Å; L318-P464 WeakPolarHBondContact CD1-O 3.28Å; L318-A466 HydrophobicContact CD1-CB 3.92Å; L318-A466 VanDerWaalsContact CD1-N 3.32Å
319	G	58.2	Low	75.8	Confident	79 Å²	79	55.1 Å²	55.1	81%	0.814	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	10.6	-179.7	0	0	0	0	0	114.1	S321	G319-S321 PolarHBondContact O-N 3.29Å; G319-S321 VanDerWaalsContact O-N 3.07Å
320	H	56.6	Low	76	Confident	46 Å²	46	54.7 Å²	54.7	21%	0.213	33%	0.327	C	S	.	.			trans	-58.4	112.6	169.7	-162	59.9	0	0	0	109.9	A322 R324 L354	H320-A322 PolarHBondContact O-N 2.72Å; H320-R324 WeakPolarHBondContact CE1-CB 3.45Å; H320-R324 PolarHBondContact CE1-O 3.4Å; H320-R324 PolarHBondContact NE2-O 2.78Å; H320-L354 HydrophobicContact CB-CD1 3.82Å
321	S	51.7	Low	76.4	Confident	69 Å²	69	54.7 Å²	54.7	48%	0.483	33%	0.327	S	S	.	.			trans	-59.6	132.5	168.8	174.7	0	0	0	0	108.3	G319 S323 R324	G319-S321 PolarHBondContact O-N 3.29Å; G319-S321 VanDerWaalsContact O-N 3.07Å; S321-S323 PolarHBondContact O-N 3.48Å; S321-S323 PolarHBondContact OG-N 2.73Å; S321-S323 PolarHBondContact OG-OG 3.24Å; S321-R324 PolarHBondContact O-N 2.95Å
322	A	53	Low	76.8	Confident	112 Å²	112	50.1 Å²	50.1	93%	0.926	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-11.4	176.4	0	0	0	0	0	114.1	H320	H320-A322 PolarHBondContact O-N 2.72Å
323	S	52.7	Low	77.3	Confident	107 Å²	107	43.8 Å²	43.8	75%	0.748	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-7.9	177	72	0	0	0	0	115.7	S321	S321-S323 PolarHBondContact O-N 3.48Å; S321-S323 PolarHBondContact OG-N 2.73Å; S321-S323 PolarHBondContact OG-OG 3.24Å
324	R	65.9	Low	77.6	Confident	163 Å²	163	45.3 Å²	45.3	62%	0.615	29%	0.287	S	S	*	.	S	Bend	trans	-106.1	130.9	-171.8	-161.2	178.4	-161.2	-173.5	4.8	110.2	H320 S321	H320-R324 WeakPolarHBondContact CE1-CB 3.45Å; H320-R324 PolarHBondContact CE1-O 3.4Å; H320-R324 PolarHBondContact NE2-O 2.78Å; S321-R324 PolarHBondContact O-N 2.95Å
325	V	75.6	Confident	78.2	Confident	103 Å²	103	43.2 Å²	43.2	62%	0.624	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-66.5	132	-177.9	-177.5	0	0	0	0	109
326	P	82.3	Confident	78.6	Confident	28 Å²	28	43 Å²	43	18%	0.182	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-63.9	150.2	176.6	25.9	-33.1	0	0	0	110.9	P152 M351 L354	P152-P326 HydrophobicContact CG-CB 4.46Å; P152-P326 HydrophobicContact CG-CG 4.01Å; P326-M351 HydrophobicContact CB-CE 4.48Å; P326-M351 HydrophobicContact CB-SD 4.12Å; P326-L354 HydrophobicContact CB-CD2 3.79Å
327	P	89.9	Confident	79	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.006	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-67.4	151.1	-180	30.7	-35.1	0	0	0	110.8	E178 I180 L316 L329 M351	E178-P327 HydrophobicContact CB-CB 4.06Å; E178-P327 HydrophobicContact CG-CB 3.84Å; I180-P327 HydrophobicContact CD1-CB 3.96Å; I180-P327 HydrophobicContact CD1-CG 4.1Å; I180-P327 HydrophobicContact CG1-CB 4.31Å; L316-P327 HydrophobicContact CD1-CG 4.44Å; L316-P327 HydrophobicContact CD2-CG 3.41Å; L316-P327 VanDerWaalsContact CD2-CG 3.41Å; L316-P327 HydrophobicContact CG-CG 3.78Å; P327-L329 HydrophobicContact CG-CD2 4.35Å; P327-M351 WeakPolarHBondContact O-CE 3.41Å
328	T	93.7	Very high	79.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	124.9	171.1	-65.2	0	0	0	0	110.1	P152 Y154 L171 Q176 E178 I179 I180 V330	P152-T328 CarbonylContact O-C 3.51Å; P152-T328 VanDerWaalsContact O-CA 3.23Å; P152-T328 WeakPolarHBondContact O-CA 3.2Å; Y154-T328 HydrophobicContact CD2-CG2 3.56Å; Y154-T328 HydrophobicContact CE2-CG2 3.62Å; L171-T328 HydrophobicContact CD1-CG2 4.4Å; L171-T328 HydrophobicContact CD2-CG2 4.32Å; Q176-T328 WeakPolarHBondContact CB-OG1 3.5Å; Q176-T328 WeakPolarHBondContact CG-OG1 3.4Å; Q176-T328 PolarHBondContact OE1-OG1 2.79Å; E178-T328 WeakPolarHBondContact O-CB 3.49Å; E178-T328 PolarHBondContact O-N 2.94Å; I179-T328 CarbonylContact C-O 3.5Å; I179-T328 WeakPolarHBondContact CA-O 3.28Å; I180-T328 PolarHBondContact N-O 3.38Å; T328-V330 HydrophobicContact CG2-CG2 3.88Å
329	L	96.1	Very high	80.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.1	173	-49.5	-176.9	0	0	0	109.4	P152 L153 Y154 I180 F182 L316 P327 F331 M351	P152-L329 PolarHBondContact O-N 3.09Å; L153-L329 CarbonylContact C-O 3.59Å; L153-L329 WeakPolarHBondContact CA-O 3.46Å; L153-L329 HydrophobicContact CD1-CD1 4.35Å; L153-L329 HydrophobicContact CG-CB 4.42Å; Y154-L329 PolarHBondContact N-O 3.3Å; I180-L329 HydrophobicContact CB-CD2 3.94Å; I180-L329 HydrophobicContact CD1-CD2 3.97Å; I180-L329 HydrophobicContact CG1-CD2 4.33Å; F182-L329 HydrophobicContact CE2-CB 4.39Å; F182-L329 HydrophobicContact CE2-CD2 4.07Å; L316-L329 HydrophobicContact CD1-CD2 4.16Å; P327-L329 HydrophobicContact CG-CD2 4.35Å; L329-F331 HydrophobicContact CB-CE2 3.77Å; L329-F331 HydrophobicContact CB-CZ 4.07Å; L329-F331 HydrophobicContact CD1-CE2 4.42Å; L329-F331 HydrophobicContact CD1-CZ 4.23Å; L329-M351 HydrophobicContact CD1-CE 3.73Å; L329-M351 HydrophobicContact CD2-CE 4.37Å; L329-M351 HydrophobicContact CG-CE 3.62Å
330	V	97.3	Very high	82.7	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119	179	-173.6	0	0	0	0	109.3	Y154 M156 L171 I179 I180 F181 F182 T328	Y154-V330 WeakPolarHBondContact O-CA 3.22Å; M156-V330 HydrophobicContact CG-CG1 4.4Å; M156-V330 HydrophobicContact SD-CG1 3.96Å; L171-V330 HydrophobicContact CD1-CG2 3.67Å; I179-V330 HydrophobicContact CG2-CG2 4.07Å; I180-V330 PolarHBondContact O-N 2.87Å; F181-V330 WeakPolarHBondContact CA-O 3.39Å; F181-V330 HydrophobicContact CD2-CB 3.87Å; F181-V330 HydrophobicContact CD2-CG1 3.75Å; F181-V330 HydrophobicContact CE2-CG1 3.99Å; F182-V330 PolarHBondContact N-O 3.36Å; T328-V330 HydrophobicContact CG2-CG2 3.88Å
331	F	97.6	Very high	84.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.7	-178.5	-60	-81.2	0	0	0	111.3	L153 Y154 G155 M156 F182 I184 F306 L329 T340 A343 M344	L153-F331 HydrophobicContact CD1-CE2 4.04Å; L153-F331 HydrophobicContact CD2-CE2 4.42Å; L153-F331 HydrophobicContact CG-CD2 4.48Å; L153-F331 HydrophobicContact CG-CE2 4.01Å; Y154-F331 PolarHBondContact O-N 3.13Å; G155-F331 CarbonylContact C-O 3.44Å; G155-F331 WeakPolarHBondContact CA-O 3.2Å; M156-F331 PolarHBondContact N-O 2.99Å; F182-F331 HydrophobicContact CB-CD1 3.49Å; F182-F331 VanDerWaalsContact CB-CD1 3.49Å; F182-F331 HydrophobicContact CB-CE1 3.87Å; F182-F331 HydrophobicContact CB-CG 4.43Å; F182-F331 HydrophobicContact CD1-CE1 4.1Å; F182-F331 AromaticContact CD2-CD1 3.82Å; F182-F331 HydrophobicContact CD2-CD1 3.82Å; F182-F331 AromaticContact CD2-CE1 3.44Å; F182-F331 HydrophobicContact CD2-CE1 3.44Å; F182-F331 VanDerWaalsContact CD2-CE1 3.44Å; F182-F331 AromaticContact CD2-CZ 3.98Å; F182-F331 HydrophobicContact CD2-CZ 3.98Å; F182-F331 AromaticContact CE2-CE1 3.94Å; F182-F331 HydrophobicContact CE2-CE1 3.94Å; F182-F331 HydrophobicContact CE2-CZ 4.14Å; F182-F331 AromaticContact CG-CD1 3.73Å; F182-F331 HydrophobicContact CG-CD1 3.73Å; F182-F331 AromaticContact CG-CE1 3.54Å; F182-F331 HydrophobicContact CG-CE1 3.54Å; F182-F331 HydrophobicContact CG-CZ 4.49Å; F182-F331 HydrophobicContact CZ-CE1 4.44Å; I184-F331 HydrophobicContact CD1-CB 4.47Å; I184-F331 HydrophobicContact CG2-CD1 4.23Å; F306-F331 HydrophobicContact CE2-CE1 4.45Å; L329-F331 HydrophobicContact CB-CE2 3.77Å; L329-F331 HydrophobicContact CB-CZ 4.07Å; L329-F331 HydrophobicContact CD1-CE2 4.42Å; L329-F331 HydrophobicContact CD1-CZ 4.23Å; F331-T340 HydrophobicContact CB-CG2 4.38Å; F331-A343 HydrophobicContact CB-CB 4.08Å; F331-A343 HydrophobicContact CD1-CB 3.44Å; F331-A343 VanDerWaalsContact CD1-CB 3.44Å; F331-A343 HydrophobicContact CD2-CB 4.45Å; F331-A343 HydrophobicContact CE1-CB 3.93Å; F331-A343 HydrophobicContact CG-CB 3.74Å; F331-M344 HydrophobicContact CD2-CG 4.13Å
332	S	95.6	Very high	86.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.6	-179.8	-177.1	0	0	0	0	112.4	M156 G157 F181 F182 I184	M156-S332 WeakPolarHBondContact O-CA 3.26Å; G157-S332 PolarHBondContact O-OG 3.26Å; F181-S332 VanDerWaalsContact CZ-CB 3.49Å; F182-S332 PolarHBondContact O-N 2.69Å; I184-S332 WeakPolarHBondContact CG1-O 3.42Å; I184-S332 PolarHBondContact N-O 2.69Å
333	C	93.7	Very high	88.5	Confident	4 Å²	4	27.1 Å²	27.1	3%	0.027	16%	0.155	C	C	.	.			trans	-120.3	-168	168.2	85.8	0	0	0	0	110.4	M156 G157 Q158 I184 R185 G336 R339 T340	M156-C333 PolarHBondContact O-N 3.46Å; G157-C333 CarbonylContact C-O 3.53Å; G157-C333 VanDerWaalsContact CA-O 3.28Å; G157-C333 WeakPolarHBondContact CA-O 3.38Å; Q158-C333 PolarHBondContact N-O 3.23Å; I184-C333 HydrophobicContact CD1-CB 4.04Å; I184-C333 HydrophobicContact CG1-CB 3.83Å; R185-C333 HydrophobicContact CG-CB 4.43Å; C333-G336 PolarHBondContact SG-N 3.1Å; C333-R339 HydrophobicContact CB-CB 3.97Å; C333-T340 WeakPolarHBondContact CB-OG1 3.28Å; C333-T340 PolarHBondContact N-OG1 2.87Å; C333-T340 PolarHBondContact SG-OG1 3.4Å
334	Q	91.6	Very high	90.6	Very high	32 Å²	32	22.1 Å²	22.1	15%	0.15	12%	0.12	C	C	.	.	S	Bend	trans	-55.6	-64.8	176	-170.2	-168.4	9.7	0	0	112.8	D125 V126 G157 Q158 N212	D125-Q334 PolarHBondContact O-NE2 3.36Å; D125-Q334 WeakPolarHBondContact OD2-CG 3.28Å; V126-Q334 WeakPolarHBondContact CG2-O 3.19Å; G157-Q334 CarbonylContact C-O 3.47Å; G157-Q334 WeakPolarHBondContact CA-O 3.16Å; Q158-Q334 WeakPolarHBondContact CB-O 3.34Å; Q158-Q334 PolarHBondContact N-O 3.07Å; N212-Q334 PolarHBondContact ND2-OE1 3.06Å
335	V	90.8	Very high	92	Very high	42 Å²	42	14.3 Å²	14.3	26%	0.255	9%	0.09	S	C	.	.	S	Bend	trans	-98.7	-22.8	-173.3	-174.9	0	0	0	0	113.2	A130 N143 G157 V337	A130-V335 HydrophobicContact CB-CG1 3.92Å; A130-V335 HydrophobicContact CB-CG2 4.39Å; A130-V335 WeakPolarHBondContact O-CG1 3.29Å; N143-V335 PolarHBondContact ND2-O 3.28Å; G157-V335 VanDerWaalsContact CA-C 3.42Å; V335-V337 HydrophobicContact CG1-CG2 3.97Å
336	G	90.2	Very high	93	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.062	C	C	.	.	S	Bend	trans	90.8	14.7	-175.9	0	0	0	0	0	114.9	R145 M156 C333 T340	R145-G336 PolarHBondContact NH1-O 2.92Å; R145-G336 PolarHBondContact NH2-O 2.84Å; R145-G336 VanDerWaalsContact NH2-O 3.09Å; M156-G336 VanDerWaalsContact C-CA 3.44Å; M156-G336 VanDerWaalsContact O-CA 3.29Å; M156-G336 WeakPolarHBondContact O-CA 3.48Å; C333-G336 PolarHBondContact SG-N 3.1Å; G336-T340 WeakPolarHBondContact CA-OG1 3.39Å
337	V	88.4	Confident	93.6	Very high	37 Å²	37	8.3 Å²	8.3	22%	0.224	5%	0.053	C	C	.	.	S	Bend	trans	-106	-94.2	-177.9	-172.6	0	0	0	0	110.8	V335 N341 M406 H407	V335-V337 HydrophobicContact CG1-CG2 3.97Å; V337-N341 WeakPolarHBondContact O-CB 3.39Å; V337-N341 PolarHBondContact O-N 2.94Å; V337-M406 HydrophobicContact CG1-CB 4.32Å; V337-M406 HydrophobicContact CG2-CE 3.57Å; V337-H407 HydrophobicContact CG1-CB 3.92Å
338	G	87.8	Confident	93.9	Very high	32 Å²	32	8.4 Å²	8.4	33%	0.33	5%	0.053	S	C	.	.	H	α-helix	trans	-55.2	-68.7	-167.9	0	0	0	0	0	115.4	T340 N341 L342	G338-T340 PolarHBondContact O-N 3.03Å; G338-N341 PolarHBondContact O-N 3.41Å; G338-L342 PolarHBondContact O-N 3.25Å; G338-L342 VanDerWaalsContact O-N 3.1Å
339	R	91.4	Very high	94	Very high	14 Å²	14	8.4 Å²	8.4	5%	0.053	5%	0.054	C	C	.	.	H	α-helix	trans	-61.8	-43.4	-179	-71	176.1	-71.8	179	-1.8	112.4	I184 E187 L292 P293 V294 C333 N341 L342 A343	I184-R339 HydrophobicContact CD1-CB 3.82Å; I184-R339 VanDerWaalsContact CD1-O 3.29Å; I184-R339 WeakPolarHBondContact CD1-O 3.44Å; I184-R339 HydrophobicContact CG1-CB 4.45Å; E187-R339 IonicContact OE1-CZ 3.79Å; E187-R339 IonicContact OE1-NH1 2.73Å; E187-R339 IonicContact OE1-NH2 3.78Å; E187-R339 PolarHBondContact OE1-NH2 3.45Å; E187-R339 IonicContact OE2-CZ 3.81Å; E187-R339 IonicContact OE2-NH1 3.18Å; E187-R339 PolarHBondContact OE2-NH1 3Å; E187-R339 IonicContact OE2-NH2 3.17Å; E187-R339 PolarHBondContact OE2-NH2 3.27Å; L292-R339 WeakPolarHBondContact O-CD 3.46Å; P293-R339 WeakPolarHBondContact O-CG 3.34Å; V294-R339 VanDerWaalsContact CG2-CZ 3.47Å; C333-R339 HydrophobicContact CB-CB 3.97Å; R339-N341 VanDerWaalsContact C-N 3.29Å; R339-N341 PolarHBondContact O-N 3.24Å; R339-L342 WeakPolarHBondContact O-CB 3.38Å; R339-L342 PolarHBondContact O-N 3.4Å; R339-A343 PolarHBondContact O-N 3.03Å
340	T	94.1	Very high	93.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.5	-43.6	176.9	-63	0	0	0	0	111	M156 F331 C333 G336 G338 L342 A343 M344	M156-T340 PolarHBondContact O-OG1 3.31Å; F331-T340 HydrophobicContact CB-CG2 4.38Å; C333-T340 WeakPolarHBondContact CB-OG1 3.28Å; C333-T340 PolarHBondContact N-OG1 2.87Å; C333-T340 PolarHBondContact SG-OG1 3.4Å; G336-T340 WeakPolarHBondContact CA-OG1 3.39Å; G338-T340 PolarHBondContact O-N 3.03Å; T340-L342 PolarHBondContact O-N 3.33Å; T340-A343 PolarHBondContact O-N 3.38Å; T340-M344 HydrophobicContact CG2-CG 4.28Å; T340-M344 HydrophobicContact CG2-SD 4.04Å; T340-M344 WeakPolarHBondContact O-CB 3.44Å; T340-M344 WeakPolarHBondContact O-CG 3.32Å; T340-M344 PolarHBondContact O-N 3.46Å
341	N	93.5	Very high	93.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.1	-42.5	178.7	-161	55	0	0	0	112.4	V337 G338 R339 M344 I345 C403 H407	V337-N341 WeakPolarHBondContact O-CB 3.39Å; V337-N341 PolarHBondContact O-N 2.94Å; G338-N341 PolarHBondContact O-N 3.41Å; R339-N341 VanDerWaalsContact C-N 3.29Å; R339-N341 PolarHBondContact O-N 3.24Å; N341-M344 PolarHBondContact O-N 2.95Å; N341-I345 WeakPolarHBondContact O-CD1 3.49Å; N341-I345 VanDerWaalsContact O-CG1 3.28Å; N341-I345 WeakPolarHBondContact O-CG1 3.49Å; N341-I345 PolarHBondContact O-N 3.31Å; N341-C403 WeakPolarHBondContact OD1-CB 3.02Å; N341-C403 PolarHBondContact OD1-O 3.37Å; N341-H407 PolarHBondContact ND2-O 3.45Å
342	L	94.9	Very high	93	Very high	5 Å²	5	10 Å²	10	3%	0.026	6%	0.061	C	C	.	.	H	α-helix	trans	-59.1	-49.6	174	175.6	59.9	0	0	0	111.6	P298 G338 R339 T340 M344 I345 L346 I409 R448 L452	P298-L342 HydrophobicContact CG-CD2 3.65Å; G338-L342 PolarHBondContact O-N 3.25Å; G338-L342 VanDerWaalsContact O-N 3.1Å; R339-L342 WeakPolarHBondContact O-CB 3.38Å; R339-L342 PolarHBondContact O-N 3.4Å; T340-L342 PolarHBondContact O-N 3.33Å; L342-M344 VanDerWaalsContact C-N 3.3Å; L342-M344 PolarHBondContact O-N 3.28Å; L342-I345 WeakPolarHBondContact O-CB 3.47Å; L342-I345 PolarHBondContact O-N 3.46Å; L342-I345 VanDerWaalsContact O-N 3.14Å; L342-L346 WeakPolarHBondContact O-CG 3.49Å; L342-L346 PolarHBondContact O-N 3.19Å; L342-I409 HydrophobicContact CD1-CD1 4.5Å; L342-R448 HydrophobicContact CD1-CG 3.92Å; L342-R448 HydrophobicContact CD2-CG 4.33Å; L342-L452 HydrophobicContact CD1-CD1 4.25Å; L342-L452 HydrophobicContact CD1-CD2 3.83Å; L342-L452 HydrophobicContact CD1-CG 4.21Å
343	A	95.8	Very high	92.7	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-64	-36.1	179	0	0	0	0	0	112.3	I184 L292 F331 R339 T340 I345 L346 G347	I184-A343 HydrophobicContact CD1-CB 3.68Å; I184-A343 HydrophobicContact CG2-CB 4.27Å; L292-A343 HydrophobicContact CD1-CB 3.97Å; F331-A343 HydrophobicContact CB-CB 4.08Å; F331-A343 HydrophobicContact CD1-CB 3.44Å; F331-A343 VanDerWaalsContact CD1-CB 3.44Å; F331-A343 HydrophobicContact CD2-CB 4.45Å; F331-A343 HydrophobicContact CE1-CB 3.93Å; F331-A343 HydrophobicContact CG-CB 3.74Å; R339-A343 PolarHBondContact O-N 3.03Å; T340-A343 PolarHBondContact O-N 3.38Å; A343-I345 VanDerWaalsContact C-N 3.34Å; A343-I345 PolarHBondContact O-N 3.04Å; A343-L346 PolarHBondContact O-N 3.4Å; A343-G347 PolarHBondContact O-N 2.87Å
344	M	96.3	Very high	92.2	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-63.3	-38.7	173.5	-72.5	178.6	75.2	0	0	112.2	R145 V147 L153 F331 T340 N341 L342 G347 T348	R145-M344 HydrophobicContact CG-CE 4.48Å; V147-M344 HydrophobicContact CB-CE 3.81Å; V147-M344 HydrophobicContact CG2-CE 4.44Å; L153-M344 HydrophobicContact CD2-CB 3.62Å; L153-M344 HydrophobicContact CD2-CE 3.71Å; L153-M344 HydrophobicContact CD2-CG 3.62Å; F331-M344 HydrophobicContact CD2-CG 4.13Å; T340-M344 HydrophobicContact CG2-CG 4.28Å; T340-M344 HydrophobicContact CG2-SD 4.04Å; T340-M344 WeakPolarHBondContact O-CB 3.44Å; T340-M344 WeakPolarHBondContact O-CG 3.32Å; T340-M344 PolarHBondContact O-N 3.46Å; N341-M344 PolarHBondContact O-N 2.95Å; L342-M344 VanDerWaalsContact C-N 3.3Å; L342-M344 PolarHBondContact O-N 3.28Å; M344-G347 PolarHBondContact O-N 2.94Å; M344-T348 WeakPolarHBondContact O-CB 3.34Å; M344-T348 PolarHBondContact O-N 2.88Å; M344-T348 PolarHBondContact O-OG1 3.35Å
345	I	96.1	Very high	91.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.5	-46.9	174.4	-66.3	158.2	0	0	0	110.2	N341 L342 A343 G347 T348 L349 A399 I400 C403 I409 L452	N341-I345 WeakPolarHBondContact O-CD1 3.49Å; N341-I345 VanDerWaalsContact O-CG1 3.28Å; N341-I345 WeakPolarHBondContact O-CG1 3.49Å; N341-I345 PolarHBondContact O-N 3.31Å; L342-I345 WeakPolarHBondContact O-CB 3.47Å; L342-I345 PolarHBondContact O-N 3.46Å; L342-I345 VanDerWaalsContact O-N 3.14Å; A343-I345 VanDerWaalsContact C-N 3.34Å; A343-I345 PolarHBondContact O-N 3.04Å; I345-G347 PolarHBondContact O-N 2.82Å; I345-T348 WeakPolarHBondContact O-CB 3.45Å; I345-T348 PolarHBondContact O-N 3.03Å; I345-T348 VanDerWaalsContact O-N 3.1Å; I345-L349 HydrophobicContact CG2-CD1 4.39Å; I345-L349 WeakPolarHBondContact O-CG 3.29Å; I345-L349 PolarHBondContact O-N 3.09Å; I345-A399 HydrophobicContact CG2-CB 4.05Å; I345-I400 HydrophobicContact CD1-CG1 3.84Å; I345-I400 HydrophobicContact CG1-CG1 4.38Å; I345-I400 HydrophobicContact CG2-CG1 4.42Å; I345-C403 HydrophobicContact CD1-CB 4.49Å; I345-C403 HydrophobicContact CG1-CB 3.81Å; I345-I409 HydrophobicContact CD1-CD1 3.45Å; I345-I409 VanDerWaalsContact CD1-CD1 3.45Å; I345-I409 HydrophobicContact CD1-CG1 4.32Å; I345-L452 HydrophobicContact CB-CD2 4.49Å; I345-L452 HydrophobicContact CD1-CD1 4.45Å; I345-L452 HydrophobicContact CG2-CD1 4.03Å; I345-L452 HydrophobicContact CG2-CD2 3.77Å; I345-L452 HydrophobicContact CG2-CG 4.5Å
346	L	96.6	Very high	90.5	Very high	4 Å²	4	15 Å²	15	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-56.5	-48.3	176	-64.3	176.8	0	0	0	111.5	F303 F306 L342 A343 T348 L349 V350 L452 F455	F303-L346 HydrophobicContact CE1-CD1 4.41Å; F303-L346 HydrophobicContact CE1-CD2 3.8Å; F306-L346 HydrophobicContact CE1-CB 3.88Å; F306-L346 HydrophobicContact CZ-CB 4.21Å; L342-L346 WeakPolarHBondContact O-CG 3.49Å; L342-L346 PolarHBondContact O-N 3.19Å; A343-L346 PolarHBondContact O-N 3.4Å; L346-T348 VanDerWaalsContact C-N 3.3Å; L346-T348 PolarHBondContact O-N 3.49Å; L346-L349 PolarHBondContact O-N 2.55Å; L346-V350 WeakPolarHBondContact O-CG2 3.49Å; L346-V350 PolarHBondContact O-N 3.19Å; L346-V350 VanDerWaalsContact O-N 3.12Å; L346-L452 HydrophobicContact CD2-CD2 3.65Å; L346-L452 HydrophobicContact CG-CD2 4.38Å; L346-F455 HydrophobicContact CD2-CD1 3.58Å; L346-F455 HydrophobicContact CD2-CE1 3.87Å; L346-F455 HydrophobicContact CD2-CG 4.32Å
347	G	95.1	Very high	89	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64	-33.9	176.5	0	0	0	0	0	113	A343 M344 I345 V350 M351	A343-G347 PolarHBondContact O-N 2.87Å; M344-G347 PolarHBondContact O-N 2.94Å; I345-G347 PolarHBondContact O-N 2.82Å; G347-V350 PolarHBondContact O-N 2.86Å; G347-M351 WeakPolarHBondContact O-CB 3.42Å; G347-M351 VanDerWaalsContact O-CG 3.22Å; G347-M351 WeakPolarHBondContact O-CG 3.37Å; G347-M351 PolarHBondContact O-N 2.96Å
348	T	95.3	Very high	87	Confident	3 Å²	3	23 Å²	23	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-66.2	-41.5	176	-60.6	0	0	0	0	111.5	Y151 M344 I345 L346 M351 K352 A399 L402	Y151-T348 HydrophobicContact CD2-CG2 4.26Å; Y151-T348 HydrophobicContact CE2-CG2 4.16Å; M344-T348 WeakPolarHBondContact O-CB 3.34Å; M344-T348 PolarHBondContact O-N 2.88Å; M344-T348 PolarHBondContact O-OG1 3.35Å; I345-T348 WeakPolarHBondContact O-CB 3.45Å; I345-T348 PolarHBondContact O-N 3.03Å; I345-T348 VanDerWaalsContact O-N 3.1Å; L346-T348 VanDerWaalsContact C-N 3.3Å; L346-T348 PolarHBondContact O-N 3.49Å; T348-M351 PolarHBondContact O-N 2.82Å; T348-K352 WeakPolarHBondContact O-CB 3.08Å; T348-K352 PolarHBondContact O-N 3.29Å; T348-A399 HydrophobicContact CG2-CB 3.84Å; T348-L402 HydrophobicContact CG2-CD1 4.11Å
349	L	95.3	Very high	85	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-43.1	175	-65.9	172.7	0	0	0	111.5	I345 L346 K352 R353 V396 A399 L452 F455 N456 L459	I345-L349 HydrophobicContact CG2-CD1 4.39Å; I345-L349 WeakPolarHBondContact O-CG 3.29Å; I345-L349 PolarHBondContact O-N 3.09Å; L346-L349 PolarHBondContact O-N 2.55Å; L349-K352 WeakPolarHBondContact O-CB 3.24Å; L349-K352 PolarHBondContact O-N 3.37Å; L349-R353 PolarHBondContact O-N 3.01Å; L349-V396 HydrophobicContact CD1-CG2 4.24Å; L349-V396 HydrophobicContact CD2-CG2 4.07Å; L349-A399 HydrophobicContact CD2-CB 3.91Å; L349-A399 HydrophobicContact CG-CB 4.26Å; L349-L452 HydrophobicContact CD1-CD2 4.49Å; L349-F455 HydrophobicContact CD1-CD1 4.47Å; L349-N456 HydrophobicContact CD1-CB 4.29Å; L349-N456 HydrophobicContact CD2-CB 4.42Å; L349-L459 HydrophobicContact CB-CD1 3.86Å
350	V	92.9	Very high	82.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-46.3	175.3	174.7	0	0	0	0	111.4	F306 L310 L346 G347 K352 R353 L354 L459	F306-V350 HydrophobicContact CE1-CG2 3.89Å; F306-V350 HydrophobicContact CZ-CG2 4.22Å; L310-V350 HydrophobicContact CD1-CB 4.5Å; L310-V350 HydrophobicContact CD1-CG1 4.06Å; L310-V350 HydrophobicContact CD1-CG2 3.56Å; L310-V350 HydrophobicContact CD2-CG1 3.92Å; L310-V350 HydrophobicContact CD2-CG2 4.36Å; L346-V350 WeakPolarHBondContact O-CG2 3.49Å; L346-V350 PolarHBondContact O-N 3.19Å; L346-V350 VanDerWaalsContact O-N 3.12Å; G347-V350 PolarHBondContact O-N 2.86Å; V350-K352 PolarHBondContact O-N 3.49Å; V350-R353 WeakPolarHBondContact O-CB 3.16Å; V350-R353 PolarHBondContact O-N 3.11Å; V350-R353 VanDerWaalsContact O-N 3.07Å; V350-L354 PolarHBondContact O-N 2.79Å; V350-L459 HydrophobicContact CG2-CD1 4.14Å; V350-L459 HydrophobicContact CG2-CD2 4.4Å
351	M	89.9	Confident	79.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-34.5	178.5	-76.4	-66.6	-175.2	0	0	112.7	Y151 P152 P326 P327 L329 G347 T348 L354 K355	Y151-M351 HydrophobicContact CD1-CB 3.54Å; Y151-M351 HydrophobicContact CD1-CG 4.2Å; Y151-M351 HydrophobicContact CE1-CB 3.75Å; Y151-M351 HydrophobicContact CG-CB 4.13Å; P152-M351 HydrophobicContact CG-CE 4.29Å; P326-M351 HydrophobicContact CB-CE 4.48Å; P326-M351 HydrophobicContact CB-SD 4.12Å; P327-M351 WeakPolarHBondContact O-CE 3.41Å; L329-M351 HydrophobicContact CD1-CE 3.73Å; L329-M351 HydrophobicContact CD2-CE 4.37Å; L329-M351 HydrophobicContact CG-CE 3.62Å; G347-M351 WeakPolarHBondContact O-CB 3.42Å; G347-M351 VanDerWaalsContact O-CG 3.22Å; G347-M351 WeakPolarHBondContact O-CG 3.37Å; G347-M351 PolarHBondContact O-N 2.96Å; T348-M351 PolarHBondContact O-N 2.82Å; M351-L354 PolarHBondContact O-N 2.91Å; M351-L354 HydrophobicContact SD-CD2 4.19Å; M351-K355 PolarHBondContact O-N 3.34Å; M351-K355 VanDerWaalsContact O-N 3.09Å
352	K	88.7	Confident	77.1	Confident	35 Å²	35	45.6 Å²	45.6	15%	0.152	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-42.9	173.8	-175	172.8	179	167.4	0	111.4	T348 L349 V350 L354 K355 G356 E395	T348-K352 WeakPolarHBondContact O-CB 3.08Å; T348-K352 PolarHBondContact O-N 3.29Å; L349-K352 WeakPolarHBondContact O-CB 3.24Å; L349-K352 PolarHBondContact O-N 3.37Å; V350-K352 PolarHBondContact O-N 3.49Å; K352-L354 VanDerWaalsContact C-N 3.34Å; K352-K355 PolarHBondContact O-N 2.9Å; K352-G356 PolarHBondContact O-N 2.77Å; K352-E395 VanDerWaalsContact NZ-CG 3.26Å; K352-E395 IonicContact NZ-OE1 3.97Å
353	R	88.1	Confident	74.5	Confident	29 Å²	29	54.6 Å²	54.6	11%	0.109	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-37.7	175.2	-63.2	-69.6	139.5	-127.9	-15.2	111.9	L349 V350 G356 D357 E395 L459 H460 Y463	L349-R353 PolarHBondContact O-N 3.01Å; V350-R353 WeakPolarHBondContact O-CB 3.16Å; V350-R353 PolarHBondContact O-N 3.11Å; V350-R353 VanDerWaalsContact O-N 3.07Å; R353-G356 PolarHBondContact O-N 3.33Å; R353-D357 IonicContact CZ-OD1 3.84Å; R353-D357 IonicContact NH1-OD1 2.91Å; R353-D357 PolarHBondContact NH1-OD1 3.3Å; R353-D357 IonicContact NH1-OD2 3.69Å; R353-D357 IonicContact NH2-OD1 2.7Å; R353-E395 IonicContact CZ-OE2 3.84Å; R353-E395 IonicContact NH2-OE1 3.94Å; R353-E395 PolarHBondContact NH2-OE1 3.5Å; R353-E395 IonicContact NH2-OE2 3.86Å; R353-E395 PolarHBondContact NH2-OE2 3.48Å; R353-L459 HydrophobicContact CG-CB 4.29Å; R353-H460 PolarHBondContact NH1-CE1 2.84Å; R353-H460 PolarHBondContact NH2-CE1 2.93Å; R353-H460 VanDerWaalsContact NH2-CE1 3.25Å; R353-H460 PolarHBondContact NH2-NE2 3.3Å; R353-Y463 HydrophobicContact CB-CD1 4.03Å; R353-Y463 HydrophobicContact CB-CD2 4.26Å; R353-Y463 HydrophobicContact CB-CE1 4.16Å; R353-Y463 HydrophobicContact CB-CE2 4.42Å; R353-Y463 HydrophobicContact CB-CG 4.1Å
354	L	83.5	Confident	71.6	Confident	24 Å²	24	59.8 Å²	59.8	13%	0.126	34%	0.335	C	S	.	.	H	α-helix	trans	-66	-39.9	178.3	-176.4	65.5	0	0	0	113.5	L316 H320 P326 V350 M351 K352 G356 Y463	L316-L354 HydrophobicContact CD2-CD2 4.27Å; H320-L354 HydrophobicContact CB-CD1 3.82Å; P326-L354 HydrophobicContact CB-CD2 3.79Å; V350-L354 PolarHBondContact O-N 2.79Å; M351-L354 PolarHBondContact O-N 2.91Å; M351-L354 HydrophobicContact SD-CD2 4.19Å; K352-L354 VanDerWaalsContact C-N 3.34Å; L354-G356 VanDerWaalsContact C-N 3.3Å; L354-G356 PolarHBondContact O-N 2.88Å; L354-Y463 WeakPolarHBondContact CD1-OH 3.44Å
355	K	78.6	Confident	68.7	Low	96 Å²	96	64.4 Å²	64.4	42%	0.417	37%	0.373	S	S	.	.	H	α-helix	trans	-78.1	-11.9	178.9	-70.2	-167.7	-174	170.7	0	113.9	A150 Y151 M351 K352	A150-K355 PolarHBondContact O-NZ 3.03Å; Y151-K355 HydrophobicContact CD1-CD 4.2Å; Y151-K355 HydrophobicContact CE1-CD 3.64Å; Y151-K355 HydrophobicContact CE1-CG 4.31Å; M351-K355 PolarHBondContact O-N 3.34Å; M351-K355 VanDerWaalsContact O-N 3.09Å; K352-K355 PolarHBondContact O-N 2.9Å
356	G	68.3	Low	65.9	Low	33 Å²	33	73.4 Å²	73.4	34%	0.34	42%	0.415	S	S	.	.			trans	72	162.7	-170.3	0	0	0	0	0	112.7	K352 R353 L354 S358	K352-G356 PolarHBondContact O-N 2.77Å; R353-G356 PolarHBondContact O-N 3.33Å; L354-G356 VanDerWaalsContact C-N 3.3Å; L354-G356 PolarHBondContact O-N 2.88Å; G356-S358 PolarHBondContact O-N 3.17Å
357	D	57.4	Low	63.2	Low	96 Å²	96	77.7 Å²	77.7	51%	0.513	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	12.2	-176.6	-68.2	-30.5	0	0	0	114.3	R353 Q359	R353-D357 IonicContact CZ-OD1 3.84Å; R353-D357 IonicContact NH1-OD1 2.91Å; R353-D357 PolarHBondContact NH1-OD1 3.3Å; R353-D357 IonicContact NH1-OD2 3.69Å; R353-D357 IonicContact NH2-OD1 2.7Å; D357-Q359 VanDerWaalsContact C-N 3.28Å; D357-Q359 PolarHBondContact O-N 2.77Å
358	S	47.6	Very low	60.6	Low	109 Å²	109	80.9 Å²	80.9	76%	0.762	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	2.4	-168.1	-64.2	0	0	0	0	115.7	G356	G356-S358 PolarHBondContact O-N 3.17Å
359	Q	44.8	Very low	57.7	Low	171 Å²	171	88.1 Å²	88.1	80%	0.799	53%	0.528	S	S	*	.			trans	-145.6	89.3	167.8	-67.7	-162	-3.6	0	0	110.9	D357 P361	D357-Q359 VanDerWaalsContact C-N 3.28Å; D357-Q359 PolarHBondContact O-N 2.77Å; Q359-P361 WeakPolarHBondContact O-CD 3.48Å
360	L	41.6	Very low	55.6	Low	152 Å²	152	92.5 Å²	92.5	80%	0.796	56%	0.559	S	S	*	*			trans	-69.3	115.2	138.7	-85.4	134.5	0	0	0	105.5
361	P	37.8	Very low	53.6	Low	76 Å²	76	101 Å²	101	49%	0.494	60%	0.598	S	S	.	*			trans	-55.5	140	162.5	-14.8	28.4	0	0	0	107.2	Q359 Q363	Q359-P361 WeakPolarHBondContact O-CD 3.48Å; P361-Q363 PolarHBondContact O-N 2.67Å
362	P	35.3	Very low	52.4	Low	121 Å²	121	107.1 Å²	107.1	79%	0.786	64%	0.639	S	S	*	*			trans	-52.2	135	166.6	23.2	-30.3	0	0	0	107.2	S364	P362-S364 VanDerWaalsContact C-N 3.34Å; P362-S364 PolarHBondContact O-N 2.74Å
363	Q	39.3	Very low	51.9	Low	194 Å²	194	111.6 Å²	111.6	91%	0.907	65%	0.654	S	S	*	*			trans	-45.9	100	176	-68	174.9	-8.6	0	0	108.8	P361 A365	P361-Q363 PolarHBondContact O-N 2.67Å; Q363-A365 VanDerWaalsContact C-N 3.28Å; Q363-A365 PolarHBondContact O-N 2.77Å
364	S	35.1	Very low	51.6	Low	111 Å²	111	115.2 Å²	115.2	78%	0.776	68%	0.682	S	S	*	*			trans	-69.6	100.5	165.7	47.4	0	0	0	0	104.8	P362 E366	P362-S364 VanDerWaalsContact C-N 3.34Å; P362-S364 PolarHBondContact O-N 2.74Å; S364-E366 PolarHBondContact O-N 3.19Å
365	A	35.3	Very low	51.9	Low	98 Å²	98	116 Å²	116	81%	0.81	69%	0.686	S	S	*	*	S	Bend	trans	-63.4	76.2	177.2	0	0	0	0	0	110.4	Q363	Q363-A365 VanDerWaalsContact C-N 3.28Å; Q363-A365 PolarHBondContact O-N 2.77Å
366	E	37.3	Very low	52.6	Low	189 Å²	189	112.1 Å²	112.1	88%	0.883	67%	0.669	S	S	*	*			trans	-137.4	51.7	158.1	-71.7	-168.3	171.2	0	0	108.6	S364	S364-E366 PolarHBondContact O-N 3.19Å
367	A	39.4	Very low	53.7	Low	94 Å²	94	113.8 Å²	113.8	78%	0.777	67%	0.668	S	S	*	*			trans	-94.1	113.2	155.2	0	0	0	0	0	106	T369	A367-T369 PolarHBondContact O-N 2.61Å
368	G	40.4	Very low	55.5	Low	67 Å²	67	109.4 Å²	109.4	69%	0.691	65%	0.645	S	S	*	*			trans	-47.3	133	167.5	0	0	0	0	0	109.1	S370	G368-S370 PolarHBondContact O-N 2.77Å
369	T	35.9	Very low	57.8	Low	154 Å²	154	104.3 Å²	104.3	95%	0.945	61%	0.609	S	S	*	*			trans	-56.7	83.1	174.8	44.9	0	0	0	0	110.2	A367	A367-T369 PolarHBondContact O-N 2.61Å
370	S	50.3	Low	60.2	Low	94 Å²	94	100.7 Å²	100.7	66%	0.657	59%	0.592	S	S	*	*			trans	-105.7	130.7	159	74	0	0	0	0	106.6	G368	G368-S370 PolarHBondContact O-N 2.77Å
371	E	51.1	Low	62.7	Low	177 Å²	177	95.3 Å²	95.3	83%	0.827	57%	0.567	S	S	*	*			trans	-53.3	138.9	174.7	-69.1	-175.7	155.9	0	0	109.6	R373	E371-R373 PolarHBondContact O-N 2.99Å
372	P	64.8	Low	65.5	Low	130 Å²	130	91.7 Å²	91.7	84%	0.844	54%	0.544	S	S	*	.			trans	-58	115.2	178.9	21.6	-30	0	0	0	109.1
373	R	77.5	Confident	68.4	Low	128 Å²	128	87.2 Å²	87.2	48%	0.483	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-61.1	143	179.5	-67.4	-173.2	-174.6	177.8	2.2	109.9	E371 L375 Y414	E371-R373 PolarHBondContact O-N 2.99Å; R373-L375 PolarHBondContact O-N 3.03Å; R373-Y414 HydrophobicContact CB-CD1 4.37Å; R373-Y414 HydrophobicContact CB-CE1 3.82Å; R373-Y414 HydrophobicContact CB-CE2 4.08Å
374	P	82.8	Confident	71.2	Confident	106 Å²	106	86.9 Å²	86.9	69%	0.688	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-60.3	139.1	179.3	25.4	-33.7	0	0	0	110.5	Y414	P374-Y414 VanDerWaalsContact O-CE1 3.3Å; P374-Y414 WeakPolarHBondContact O-CE1 3.45Å; P374-Y414 PolarHBondContact O-OH 3.37Å
375	L	89.8	Confident	74	Confident	41 Å²	41	87.1 Å²	87.1	22%	0.215	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-77.8	138.4	174.6	-68.9	176.1	0	0	0	109.9	R373 I379 Q380 I383 M393	R373-L375 PolarHBondContact O-N 3.03Å; L375-I379 HydrophobicContact CD2-CG2 4.45Å; L375-Q380 HydrophobicContact CB-CG 3.59Å; L375-Q380 HydrophobicContact CD1-CG 4.39Å; L375-Q380 PolarHBondContact O-NE2 3.09Å; L375-I383 HydrophobicContact CD1-CD1 4.05Å; L375-M393 HydrophobicContact CD1-CE 4.16Å; L375-M393 HydrophobicContact CD1-SD 4.01Å; L375-M393 HydrophobicContact CD2-SD 3.92Å
376	F	92.6	Very high	76.9	Confident	14 Å²	14	83 Å²	83	6%	0.061	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-61.7	144	172.1	-63.9	-81.7	0	0	0	111.4	V378 I379 Q380 I413 Y414 A417 L446 F890 I891	F376-V378 HydrophobicContact CB-CG1 4.42Å; F376-V378 PolarHBondContact O-N 3.42Å; F376-V378 VanDerWaalsContact O-N 3.15Å; F376-I379 HydrophobicContact CB-CG1 4.47Å; F376-I379 PolarHBondContact O-N 3.45Å; F376-Q380 PolarHBondContact O-N 3.35Å; F376-I413 HydrophobicContact CD2-CG2 4.1Å; F376-I413 HydrophobicContact CE2-CB 4.31Å; F376-I413 HydrophobicContact CE2-CG2 3.3Å; F376-I413 HydrophobicContact CZ-CG2 3.6Å; F376-Y414 HydrophobicContact CD2-CE1 4.44Å; F376-Y414 AromaticContact CE2-CD1 3.96Å; F376-Y414 HydrophobicContact CE2-CD1 3.96Å; F376-Y414 AromaticContact CE2-CE1 3.57Å; F376-Y414 HydrophobicContact CE2-CE1 3.57Å; F376-Y414 HydrophobicContact CE2-CE2 4.47Å; F376-Y414 AromaticContact CE2-CZ 3.86Å; F376-Y414 AromaticContact CZ-CD1 3.89Å; F376-Y414 HydrophobicContact CZ-CD1 3.89Å; F376-Y414 AromaticContact CZ-CE1 3.85Å; F376-Y414 HydrophobicContact CZ-CE1 3.85Å; F376-A417 HydrophobicContact CE1-CB 4.44Å; F376-A417 HydrophobicContact CZ-CB 4.27Å; F376-L446 HydrophobicContact CB-CD1 4.2Å; F376-L446 HydrophobicContact CB-CD2 4.01Å; F376-L446 HydrophobicContact CD1-CD2 4.34Å; F376-L446 HydrophobicContact CD2-CD1 3.87Å; F376-L446 HydrophobicContact CD2-CD2 4.38Å; F376-L446 HydrophobicContact CG-CD1 4.17Å; F376-L446 HydrophobicContact CG-CD2 3.97Å; F376-F890 AromaticContact CD1-CD1 3.9Å; F376-F890 HydrophobicContact CD1-CD1 3.9Å; F376-F890 HydrophobicContact CD1-CE1 4.06Å; F376-F890 AromaticContact CE1-CD1 3.7Å; F376-F890 HydrophobicContact CE1-CD1 3.7Å; F376-F890 HydrophobicContact CE1-CE1 4.11Å; F376-F890 WeakPolarHBondContact CE1-O 3.28Å; F376-I891 WeakPolarHBondContact CA-OXT 3.38Å
377	Q	92.7	Very high	79.6	Confident	67 Å²	67	79.1 Å²	79.1	31%	0.313	45%	0.451	S	S	.	.	H	α-helix	trans	-57.2	-35.1	-174.2	-175.3	174.9	-13.4	0	0	112.8	I379 Q380 S381 V490 I891	Q377-I379 VanDerWaalsContact C-N 3.34Å; Q377-I379 PolarHBondContact O-N 2.98Å; Q377-Q380 PolarHBondContact O-N 3.24Å; Q377-S381 VanDerWaalsContact O-CB 3.32Å; Q377-S381 WeakPolarHBondContact O-CB 3.47Å; Q377-S381 PolarHBondContact O-N 2.93Å; Q377-S381 PolarHBondContact O-OG 3.47Å; Q377-V490 HydrophobicContact CB-CG2 4.49Å; Q377-I891 PolarHBondContact N-O 3.44Å; Q377-I891 PolarHBondContact N-OXT 2.81Å
378	V	93.8	Very high	82.2	Confident	5 Å²	5	80.2 Å²	80.2	3%	0.03	44%	0.444	C	S	.	.	H	α-helix	trans	-63	-39.2	175.9	72.9	0	0	0	0	112	F376 L382 L446 F450 L484 M488	F376-V378 HydrophobicContact CB-CG1 4.42Å; F376-V378 PolarHBondContact O-N 3.42Å; F376-V378 VanDerWaalsContact O-N 3.15Å; V378-L382 WeakPolarHBondContact O-CB 3.33Å; V378-L382 PolarHBondContact O-N 3.17Å; V378-L446 HydrophobicContact CG1-CD1 4.19Å; V378-L446 HydrophobicContact CG1-CD2 3.72Å; V378-L446 HydrophobicContact CG1-CG 4Å; V378-F450 HydrophobicContact CG2-CD2 4.11Å; V378-F450 HydrophobicContact CG2-CE2 4.09Å; V378-L484 HydrophobicContact CG2-CD1 3.99Å; V378-L484 HydrophobicContact CG2-CG 3.86Å; V378-M488 HydrophobicContact CG1-CG 4.18Å; V378-M488 HydrophobicContact CG2-CB 4.45Å
379	I	96.1	Very high	84.8	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.005	41%	0.412	C	S	.	.	H	α-helix	trans	-73.9	-42.5	178.7	-58.3	-59.7	0	0	0	110.2	L375 F376 Q377 S381 L382 I383 M393 L446 Y449 F450 I453	L375-I379 HydrophobicContact CD2-CG2 4.45Å; F376-I379 HydrophobicContact CB-CG1 4.47Å; F376-I379 PolarHBondContact O-N 3.45Å; Q377-I379 VanDerWaalsContact C-N 3.34Å; Q377-I379 PolarHBondContact O-N 2.98Å; I379-S381 VanDerWaalsContact C-N 3.26Å; I379-S381 PolarHBondContact O-N 3.48Å; I379-L382 WeakPolarHBondContact O-CB 3.47Å; I379-L382 PolarHBondContact O-N 3.21Å; I379-L382 VanDerWaalsContact O-N 3.14Å; I379-I383 HydrophobicContact CG2-CG2 4.39Å; I379-I383 WeakPolarHBondContact O-CG1 3.36Å; I379-I383 PolarHBondContact O-N 3.2Å; I379-M393 HydrophobicContact CG2-SD 4.02Å; I379-L446 HydrophobicContact CD1-CD1 3.95Å; I379-L446 HydrophobicContact CG1-CD1 3.72Å; I379-Y449 HydrophobicContact CD1-CD1 3.72Å; I379-Y449 HydrophobicContact CD1-CE1 4.04Å; I379-Y449 HydrophobicContact CG1-CD1 4.02Å; I379-Y449 HydrophobicContact CG1-CE1 4.06Å; I379-Y449 HydrophobicContact CG2-CE1 4.03Å; I379-F450 HydrophobicContact CD1-CB 4.14Å; I379-F450 HydrophobicContact CD1-CD2 4.24Å; I379-I453 HydrophobicContact CD1-CD1 4.23Å; I379-I453 HydrophobicContact CG2-CD1 4.05Å
380	Q	95.3	Very high	87.6	Confident	95 Å²	95	74 Å²	74	44%	0.444	39%	0.387	S	S	.	.	H	α-helix	trans	-57.2	-42.6	174.3	-64.8	-178.3	3.4	0	0	111.7	L375 F376 Q377 I383 K384	L375-Q380 HydrophobicContact CB-CG 3.59Å; L375-Q380 HydrophobicContact CD1-CG 4.39Å; L375-Q380 PolarHBondContact O-NE2 3.09Å; F376-Q380 PolarHBondContact O-N 3.35Å; Q377-Q380 PolarHBondContact O-N 3.24Å; Q380-I383 WeakPolarHBondContact O-CG1 3.36Å; Q380-K384 WeakPolarHBondContact O-CB 3.43Å; Q380-K384 PolarHBondContact O-N 3.14Å; Q380-K384 VanDerWaalsContact O-N 3.16Å
381	S	94.8	Very high	89.8	Confident	39 Å²	39	73.2 Å²	73.2	27%	0.273	37%	0.373	S	S	.	.	H	α-helix	trans	-67.5	-38.3	177.4	-60.9	0	0	0	0	111.8	Q377 I379 K385	Q377-S381 VanDerWaalsContact O-CB 3.32Å; Q377-S381 WeakPolarHBondContact O-CB 3.47Å; Q377-S381 PolarHBondContact O-N 2.93Å; Q377-S381 PolarHBondContact O-OG 3.47Å; I379-S381 VanDerWaalsContact C-N 3.26Å; I379-S381 PolarHBondContact O-N 3.48Å; S381-K385 PolarHBondContact O-N 2.89Å
382	L	96.9	Very high	92	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-53.8	176.5	179.9	65.1	0	0	0	111	V378 I379 K384 K385 L386 F450 I453 V454 W480 L481 L484	V378-L382 WeakPolarHBondContact O-CB 3.33Å; V378-L382 PolarHBondContact O-N 3.17Å; I379-L382 WeakPolarHBondContact O-CB 3.47Å; I379-L382 PolarHBondContact O-N 3.21Å; I379-L382 VanDerWaalsContact O-N 3.14Å; L382-K384 PolarHBondContact O-N 2.93Å; L382-K385 PolarHBondContact O-N 2.94Å; L382-K385 VanDerWaalsContact O-N 3.14Å; L382-L386 HydrophobicContact CD1-CD1 3.67Å; L382-L386 HydrophobicContact CD1-CD2 4.5Å; L382-L386 HydrophobicContact CD1-CG 3.86Å; L382-L386 HydrophobicContact CD2-CD1 4.29Å; L382-L386 HydrophobicContact CG-CD1 3.71Å; L382-L386 HydrophobicContact CG-CG 4.23Å; L382-L386 WeakPolarHBondContact O-CG 3.37Å; L382-L386 PolarHBondContact O-N 3.28Å; L382-F450 HydrophobicContact CB-CD2 4.49Å; L382-F450 HydrophobicContact CB-CE2 4.08Å; L382-F450 HydrophobicContact CD1-CE2 3.86Å; L382-F450 HydrophobicContact CD1-CZ 3.92Å; L382-F450 HydrophobicContact CD2-CD2 3.72Å; L382-F450 HydrophobicContact CD2-CE2 3.77Å; L382-F450 HydrophobicContact CD2-CG 4.22Å; L382-F450 HydrophobicContact CD2-CZ 4.32Å; L382-F450 HydrophobicContact CG-CD2 4.5Å; L382-F450 HydrophobicContact CG-CE2 4.11Å; L382-I453 HydrophobicContact CD2-CB 3.9Å; L382-I453 HydrophobicContact CD2-CD1 4.27Å; L382-I453 HydrophobicContact CD2-CG2 3.72Å; L382-I453 HydrophobicContact CG-CG2 4.45Å; L382-V454 HydrophobicContact CD1-CG2 4.05Å; L382-V454 HydrophobicContact CD2-CG2 4.07Å; L382-W480 HydrophobicContact CD1-CH2 3.98Å; L382-W480 HydrophobicContact CD1-CZ3 4.08Å; L382-L481 HydrophobicContact CD1-CD2 3.48Å; L382-L481 VanDerWaalsContact CD1-CD2 3.48Å; L382-L484 HydrophobicContact CB-CD2 3.78Å; L382-L484 HydrophobicContact CD1-CD2 4.11Å
383	I	96.4	Very high	93.5	Very high	27 Å²	27	59.2 Å²	59.2	14%	0.138	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-29	-177	64.6	176.2	0	0	0	112.5	L375 I379 Q380 G389 M393	L375-I383 HydrophobicContact CD1-CD1 4.05Å; I379-I383 HydrophobicContact CG2-CG2 4.39Å; I379-I383 WeakPolarHBondContact O-CG1 3.36Å; I379-I383 PolarHBondContact O-N 3.2Å; Q380-I383 WeakPolarHBondContact O-CG1 3.36Å; I383-G389 WeakPolarHBondContact O-CA 3.34Å; I383-M393 HydrophobicContact CG2-CB 4Å; I383-M393 HydrophobicContact CG2-CG 4.49Å; I383-M393 HydrophobicContact CG2-SD 4.13Å
384	K	96.4	Very high	94.3	Very high	188 Å²	188	58.1 Å²	58.1	82%	0.817	30%	0.297	S	S	*	.	H	α-helix	trans	-71.8	-34.5	176.6	-176.3	179.3	178	-178.1	0	112.1	Q380 L382	Q380-K384 WeakPolarHBondContact O-CB 3.43Å; Q380-K384 PolarHBondContact O-N 3.14Å; Q380-K384 VanDerWaalsContact O-N 3.16Å; L382-K384 PolarHBondContact O-N 2.93Å
385	K	95	Very high	94.9	Very high	115 Å²	115	53.5 Å²	53.5	50%	0.5	27%	0.266	S	S	.	.	H	α-helix	trans	-87.7	-31.4	-179.2	-74	-167.2	173.2	-165.8	0	112.9	S381 L382 W480 E672	S381-K385 PolarHBondContact O-N 2.89Å; L382-K385 PolarHBondContact O-N 2.94Å; L382-K385 VanDerWaalsContact O-N 3.14Å; K385-W480 HydrophobicContact CB-CH2 3.67Å; K385-W480 HydrophobicContact CB-CZ2 4.3Å; K385-W480 HydrophobicContact CB-CZ3 3.79Å; K385-W480 HydrophobicContact CD-CE3 3.99Å; K385-W480 HydrophobicContact CD-CZ3 3.99Å; K385-E672 IonicContact NZ-OE1 2.74Å
386	L	95.7	Very high	95.2	Very high	13 Å²	13	51.6 Å²	51.6	7%	0.068	26%	0.256	C	S	.	.	S	Bend	trans	-72.1	138.8	178.3	-75.2	177.8	0	0	0	112.3	L382 N388 G389 L392 I453 A457 W480	L382-L386 HydrophobicContact CD1-CD1 3.67Å; L382-L386 HydrophobicContact CD1-CD2 4.5Å; L382-L386 HydrophobicContact CD1-CG 3.86Å; L382-L386 HydrophobicContact CD2-CD1 4.29Å; L382-L386 HydrophobicContact CG-CD1 3.71Å; L382-L386 HydrophobicContact CG-CG 4.23Å; L382-L386 WeakPolarHBondContact O-CG 3.37Å; L382-L386 PolarHBondContact O-N 3.28Å; L386-N388 PolarHBondContact O-N 3.21Å; L386-G389 PolarHBondContact O-N 2.96Å; L386-G389 VanDerWaalsContact O-N 3.11Å; L386-L392 HydrophobicContact CB-CD1 4.27Å; L386-L392 HydrophobicContact CD1-CD1 4.11Å; L386-I453 HydrophobicContact CD1-CG2 3.97Å; L386-A457 HydrophobicContact CD1-CB 4.18Å; L386-A457 HydrophobicContact CD2-CB 4.14Å; L386-W480 HydrophobicContact CD2-CH2 3.92Å; L386-W480 HydrophobicContact CD2-CZ2 3.95Å; L386-W480 HydrophobicContact CG-CH2 4.09Å
387	P	94.1	Very high	95.4	Very high	107 Å²	107	52.6 Å²	52.6	70%	0.695	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	126.9	166	-20.2	32	0	0	0	110.3	G389 L392	P387-G389 PolarHBondContact O-N 3.16Å; P387-L392 WeakPolarHBondContact O-CD1 3.46Å
388	N	93.6	Very high	95.4	Very high	116 Å²	116	53.3 Å²	53.3	62%	0.62	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	31.1	-175.8	-54	-37.2	0	0	0	113.9	L386 Q390 Q391 L392	L386-N388 PolarHBondContact O-N 3.21Å; N388-Q390 VanDerWaalsContact C-N 3.29Å; N388-Q390 PolarHBondContact O-N 3.31Å; N388-Q390 VanDerWaalsContact O-N 3.16Å; N388-Q391 HydrophobicContact CB-CB 4.37Å; N388-Q391 WeakPolarHBondContact O-CB 3.33Å; N388-Q391 PolarHBondContact O-N 2.99Å; N388-L392 WeakPolarHBondContact O-CG 3.34Å; N388-L392 PolarHBondContact O-N 3.44Å
389	G	95.7	Very high	95.5	Very high	3 Å²	3	53.1 Å²	53.1	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-54.5	-37.4	-173.1	0	0	0	0	0	115.4	I383 L386 P387 L392 M393	I383-G389 WeakPolarHBondContact O-CA 3.34Å; L386-G389 PolarHBondContact O-N 2.96Å; L386-G389 VanDerWaalsContact O-N 3.11Å; P387-G389 PolarHBondContact O-N 3.16Å; G389-L392 PolarHBondContact O-N 3.32Å; G389-M393 PolarHBondContact O-N 3.31Å
390	Q	95.6	Very high	95.5	Very high	89 Å²	89	53.2 Å²	53.2	42%	0.416	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-46.9	175.8	-178.3	62	30.8	0	0	111.9	N388 M393 E394	N388-Q390 VanDerWaalsContact C-N 3.29Å; N388-Q390 PolarHBondContact O-N 3.31Å; N388-Q390 VanDerWaalsContact O-N 3.16Å; Q390-M393 PolarHBondContact O-N 2.93Å; Q390-E394 WeakPolarHBondContact CG-OE1 3.45Å; Q390-E394 PolarHBondContact NE2-OE1 2.97Å; Q390-E394 WeakPolarHBondContact O-CG 3.22Å; Q390-E394 PolarHBondContact O-N 2.95Å
391	Q	95.4	Very high	95.4	Very high	76 Å²	76	51.1 Å²	51.1	36%	0.355	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-49.2	175.5	179.8	-173.8	-13.1	0	0	109.9	N388 M393 E394 E395	N388-Q391 HydrophobicContact CB-CB 4.37Å; N388-Q391 WeakPolarHBondContact O-CB 3.33Å; N388-Q391 PolarHBondContact O-N 2.99Å; Q391-M393 PolarHBondContact O-N 3.05Å; Q391-E394 PolarHBondContact O-N 3.27Å; Q391-E395 HydrophobicContact CG-CG 4.29Å; Q391-E395 PolarHBondContact NE2-OE1 3.14Å; Q391-E395 VanDerWaalsContact O-CG 3.25Å; Q391-E395 WeakPolarHBondContact O-CG 3.35Å; Q391-E395 PolarHBondContact O-N 3.03Å
392	L	96.4	Very high	95.3	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-54.3	-41.3	-179.9	-67.4	172.7	0	0	0	112.5	L386 P387 N388 G389 V396 I453 N456 A457 H460	L386-L392 HydrophobicContact CB-CD1 4.27Å; L386-L392 HydrophobicContact CD1-CD1 4.11Å; P387-L392 WeakPolarHBondContact O-CD1 3.46Å; N388-L392 WeakPolarHBondContact O-CG 3.34Å; N388-L392 PolarHBondContact O-N 3.44Å; G389-L392 PolarHBondContact O-N 3.32Å; L392-V396 WeakPolarHBondContact O-CG2 3.09Å; L392-V396 PolarHBondContact O-N 3.39Å; L392-I453 HydrophobicContact CB-CG2 4.4Å; L392-N456 PolarHBondContact O-ND2 3.23Å; L392-N456 VanDerWaalsContact O-ND2 3.08Å; L392-A457 HydrophobicContact CD1-CB 3.7Å; L392-H460 HydrophobicContact CD2-CB 4.48Å; L392-H460 WeakPolarHBondContact CD2-CD2 3.42Å; L392-H460 WeakPolarHBondContact CD2-NE2 3.33Å
393	M	96.3	Very high	95.1	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.039	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-47.4	175.7	-174.6	-171.5	68.2	0	0	112	L375 I379 I383 G389 Q390 Q391 E395 V396 D397 Y449 I453	L375-M393 HydrophobicContact CD1-CE 4.16Å; L375-M393 HydrophobicContact CD1-SD 4.01Å; L375-M393 HydrophobicContact CD2-SD 3.92Å; I379-M393 HydrophobicContact CG2-SD 4.02Å; I383-M393 HydrophobicContact CG2-CB 4Å; I383-M393 HydrophobicContact CG2-CG 4.49Å; I383-M393 HydrophobicContact CG2-SD 4.13Å; G389-M393 PolarHBondContact O-N 3.31Å; Q390-M393 PolarHBondContact O-N 2.93Å; Q391-M393 PolarHBondContact O-N 3.05Å; M393-E395 VanDerWaalsContact C-N 3.26Å; M393-E395 PolarHBondContact O-N 3.24Å; M393-V396 WeakPolarHBondContact O-CB 3.26Å; M393-V396 PolarHBondContact O-N 2.85Å; M393-V396 VanDerWaalsContact O-N 3.09Å; M393-D397 PolarHBondContact O-N 3.34Å; M393-Y449 WeakPolarHBondContact CG-OH 3.49Å; M393-I453 HydrophobicContact CB-CD1 4.3Å; M393-I453 HydrophobicContact CG-CD1 3.97Å
394	E	95.4	Very high	94.8	Very high	104 Å²	104	51 Å²	51	49%	0.486	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-36	178.8	-73.5	169.9	-171	0	0	112.4	Q390 Q391 D397 H398	Q390-E394 WeakPolarHBondContact CG-OE1 3.45Å; Q390-E394 PolarHBondContact NE2-OE1 2.97Å; Q390-E394 WeakPolarHBondContact O-CG 3.22Å; Q390-E394 PolarHBondContact O-N 2.95Å; Q391-E394 PolarHBondContact O-N 3.27Å; E394-D397 PolarHBondContact O-N 2.86Å; E394-H398 WeakPolarHBondContact O-CB 3.25Å; E394-H398 PolarHBondContact O-N 3.13Å
395	E	95.3	Very high	94.3	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-66.3	-38.7	175	-61.8	-177.7	153.2	0	0	112.3	K352 R353 Q391 M393 A399 N456 H460	K352-E395 VanDerWaalsContact NZ-CG 3.26Å; K352-E395 IonicContact NZ-OE1 3.97Å; R353-E395 IonicContact CZ-OE2 3.84Å; R353-E395 IonicContact NH2-OE1 3.94Å; R353-E395 PolarHBondContact NH2-OE1 3.5Å; R353-E395 IonicContact NH2-OE2 3.86Å; R353-E395 PolarHBondContact NH2-OE2 3.48Å; Q391-E395 HydrophobicContact CG-CG 4.29Å; Q391-E395 PolarHBondContact NE2-OE1 3.14Å; Q391-E395 VanDerWaalsContact O-CG 3.25Å; Q391-E395 WeakPolarHBondContact O-CG 3.35Å; Q391-E395 PolarHBondContact O-N 3.03Å; M393-E395 VanDerWaalsContact C-N 3.26Å; M393-E395 PolarHBondContact O-N 3.24Å; E395-A399 PolarHBondContact O-N 3Å; E395-N456 PolarHBondContact OE2-ND2 3.45Å; E395-H460 IonicContact OE1-CE1 3.92Å; E395-H460 IonicContact OE1-NE2 2.89Å; E395-H460 IonicContact OE2-CD2 3.88Å; E395-H460 IonicContact OE2-CE1 2.69Å; E395-H460 IonicContact OE2-NE2 2.71Å; E395-H460 PolarHBondContact OE2-NE2 2.93Å
396	V	96.6	Very high	93.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.1	-44.5	174.5	170.6	0	0	0	0	110.9	L349 L392 M393 H398 A399 I400 Y449 L452 I453 N456	L349-V396 HydrophobicContact CD1-CG2 4.24Å; L349-V396 HydrophobicContact CD2-CG2 4.07Å; L392-V396 WeakPolarHBondContact O-CG2 3.09Å; L392-V396 PolarHBondContact O-N 3.39Å; M393-V396 WeakPolarHBondContact O-CB 3.26Å; M393-V396 PolarHBondContact O-N 2.85Å; M393-V396 VanDerWaalsContact O-N 3.09Å; V396-H398 VanDerWaalsContact C-N 3.27Å; V396-H398 PolarHBondContact O-N 3.3Å; V396-A399 PolarHBondContact O-N 2.77Å; V396-A399 VanDerWaalsContact O-N 3.12Å; V396-I400 HydrophobicContact CG1-CD1 3.81Å; V396-I400 HydrophobicContact CG1-CG1 4.36Å; V396-I400 VanDerWaalsContact O-CG1 3.32Å; V396-I400 WeakPolarHBondContact O-CG1 3.47Å; V396-I400 PolarHBondContact O-N 2.63Å; V396-Y449 HydrophobicContact CG1-CD2 4.21Å; V396-Y449 HydrophobicContact CG1-CE2 3.91Å; V396-L452 HydrophobicContact CG1-CB 3.74Å; V396-L452 HydrophobicContact CG1-CD1 4.41Å; V396-L452 HydrophobicContact CG2-CB 4.48Å; V396-I453 HydrophobicContact CB-CG1 4.38Å; V396-I453 HydrophobicContact CG1-CG1 4.38Å; V396-I453 HydrophobicContact CG2-CG1 4.32Å; V396-N456 HydrophobicContact CG2-CB 3.8Å
397	D	95.6	Very high	93.4	Very high	36 Å²	36	44.5 Å²	44.5	19%	0.193	24%	0.237	C	C	.	.	H	α-helix	trans	-56.9	-43	174.9	-82.4	-24	0	0	0	111.4	M393 E394 I400 A401 K410 Y449	M393-D397 PolarHBondContact O-N 3.34Å; E394-D397 PolarHBondContact O-N 2.86Å; D397-I400 PolarHBondContact O-N 3.31Å; D397-A401 WeakPolarHBondContact O-CB 3.33Å; D397-A401 PolarHBondContact O-N 3.49Å; D397-K410 WeakPolarHBondContact OD1-CD 3.49Å; D397-K410 IonicContact OD1-NZ 3.75Å; D397-K410 PolarHBondContact OD1-NZ 3.18Å; D397-K410 IonicContact OD2-NZ 3.98Å; D397-K410 PolarHBondContact OD2-NZ 3.41Å; D397-Y449 PolarHBondContact OD1-OH 3.04Å
398	H	94.1	Very high	93.2	Very high	81 Å²	81	40.6 Å²	40.6	38%	0.375	21%	0.21	S	C	.	.	H	α-helix	trans	-63.4	-45.9	174.7	-173.7	73	0	0	0	111.7	E394 V396 I400 A401 L402	E394-H398 WeakPolarHBondContact O-CB 3.25Å; E394-H398 PolarHBondContact O-N 3.13Å; V396-H398 VanDerWaalsContact C-N 3.27Å; V396-H398 PolarHBondContact O-N 3.3Å; H398-I400 VanDerWaalsContact C-N 3.31Å; H398-I400 PolarHBondContact O-N 2.97Å; H398-A401 PolarHBondContact O-N 3.44Å; H398-A401 VanDerWaalsContact O-N 3.17Å; H398-L402 WeakPolarHBondContact O-CG 3.28Å; H398-L402 PolarHBondContact O-N 3.44Å
399	A	95.1	Very high	92.9	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-39.9	176.8	0	0	0	0	0	112.2	I345 T348 L349 E395 V396 L402 C403	I345-A399 HydrophobicContact CG2-CB 4.05Å; T348-A399 HydrophobicContact CG2-CB 3.84Å; L349-A399 HydrophobicContact CD2-CB 3.91Å; L349-A399 HydrophobicContact CG-CB 4.26Å; E395-A399 PolarHBondContact O-N 3Å; V396-A399 PolarHBondContact O-N 2.77Å; V396-A399 VanDerWaalsContact O-N 3.12Å; A399-L402 PolarHBondContact O-N 3.21Å; A399-C403 PolarHBondContact O-N 3.2Å; A399-C403 PolarHBondContact O-SG 3.18Å
400	I	95.1	Very high	92.6	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-46.8	173.2	-69.6	166.6	0	0	0	110.3	I345 V396 D397 H398 L402 C403 S404 N408 Y449 L452	I345-I400 HydrophobicContact CD1-CG1 3.84Å; I345-I400 HydrophobicContact CG1-CG1 4.38Å; I345-I400 HydrophobicContact CG2-CG1 4.42Å; V396-I400 HydrophobicContact CG1-CD1 3.81Å; V396-I400 HydrophobicContact CG1-CG1 4.36Å; V396-I400 VanDerWaalsContact O-CG1 3.32Å; V396-I400 WeakPolarHBondContact O-CG1 3.47Å; V396-I400 PolarHBondContact O-N 2.63Å; D397-I400 PolarHBondContact O-N 3.31Å; H398-I400 VanDerWaalsContact C-N 3.31Å; H398-I400 PolarHBondContact O-N 2.97Å; I400-L402 VanDerWaalsContact C-N 3.3Å; I400-L402 PolarHBondContact O-N 3.32Å; I400-C403 CarbonylContact O-C 3.33Å; I400-C403 PolarHBondContact O-N 3.49Å; I400-S404 WeakPolarHBondContact O-CB 3.47Å; I400-S404 PolarHBondContact O-N 3.13Å; I400-N408 WeakPolarHBondContact CG2-OD1 3.35Å; I400-Y449 HydrophobicContact CD1-CD2 3.75Å; I400-Y449 HydrophobicContact CD1-CE2 3.78Å; I400-L452 HydrophobicContact CD1-CD1 4.42Å
401	A	93.8	Very high	92.4	Very high	50 Å²	50	37.5 Å²	37.5	41%	0.413	19%	0.191	S	C	.	.	H	α-helix	trans	-62.4	-35.6	179.4	0	0	0	0	0	112.7	D397 H398 C403 S404	D397-A401 WeakPolarHBondContact O-CB 3.33Å; D397-A401 PolarHBondContact O-N 3.49Å; H398-A401 PolarHBondContact O-N 3.44Å; H398-A401 VanDerWaalsContact O-N 3.17Å; A401-C403 VanDerWaalsContact C-N 3.28Å; A401-C403 PolarHBondContact O-N 3.47Å; A401-S404 PolarHBondContact O-OG 3.23Å
402	L	93.3	Very high	92.1	Very high	27 Å²	27	34.5 Å²	34.5	14%	0.141	18%	0.178	C	C	.	.	H	α-helix	trans	-68.8	-27.5	174.9	-65.1	-178.3	0	0	0	112.8	V147 K148 Y151 T348 H398 A399 I400	V147-L402 HydrophobicContact CG2-CB 3.8Å; V147-L402 WeakPolarHBondContact CG2-O 3.47Å; K148-L402 HydrophobicContact CB-CB 4.49Å; K148-L402 HydrophobicContact CB-CD2 4.13Å; K148-L402 WeakPolarHBondContact CB-O 3.48Å; K148-L402 PolarHBondContact N-O 3.24Å; K148-L402 VanDerWaalsContact N-O 3.1Å; K148-L402 WeakPolarHBondContact O-CD2 3.44Å; Y151-L402 HydrophobicContact CD2-CD1 4.43Å; Y151-L402 HydrophobicContact CE2-CD1 4.13Å; T348-L402 HydrophobicContact CG2-CD1 4.11Å; H398-L402 WeakPolarHBondContact O-CG 3.28Å; H398-L402 PolarHBondContact O-N 3.44Å; A399-L402 PolarHBondContact O-N 3.21Å; I400-L402 VanDerWaalsContact C-N 3.3Å; I400-L402 PolarHBondContact O-N 3.32Å
403	C	92.9	Very high	91.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-96.8	-6.6	-179.2	-57.8	0	0	0	0	113.7	V147 N341 I345 A399 I400 A401 E405	V147-C403 VanDerWaalsContact CG2-SG 3.56Å; N341-C403 WeakPolarHBondContact OD1-CB 3.02Å; N341-C403 PolarHBondContact OD1-O 3.37Å; I345-C403 HydrophobicContact CD1-CB 4.49Å; I345-C403 HydrophobicContact CG1-CB 3.81Å; A399-C403 PolarHBondContact O-N 3.2Å; A399-C403 PolarHBondContact O-SG 3.18Å; I400-C403 CarbonylContact O-C 3.33Å; I400-C403 PolarHBondContact O-N 3.49Å; A401-C403 VanDerWaalsContact C-N 3.28Å; A401-C403 PolarHBondContact O-N 3.47Å; C403-E405 PolarHBondContact O-N 3.43Å
404	S	89.1	Confident	91.7	Very high	34 Å²	34	35.4 Å²	35.4	24%	0.238	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-3.5	-163.8	64.4	0	0	0	0	117.1	I400 A401 M406 H407	I400-S404 WeakPolarHBondContact O-CB 3.47Å; I400-S404 PolarHBondContact O-N 3.13Å; A401-S404 PolarHBondContact O-OG 3.23Å; S404-M406 PolarHBondContact O-N 2.87Å; S404-M406 VanDerWaalsContact O-N 3.13Å; S404-H407 PolarHBondContact O-N 2.86Å
405	E	87.4	Confident	91.5	Very high	93 Å²	93	35.2 Å²	35.2	44%	0.435	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-40.2	-174.3	-176	-179.8	172.8	0	0	113.7	C403	C403-E405 PolarHBondContact O-N 3.43Å
406	M	85.9	Confident	91.3	Very high	35 Å²	35	35.4 Å²	35.4	17%	0.172	18%	0.182	C	C	.	.	S	Bend	trans	-103.4	-28.7	-177.7	-67.7	-64.9	-67.7	0	0	113.5	V132 L133 N143 R145 V337 S404	V132-M406 HydrophobicContact CB-CE 3.96Å; V132-M406 HydrophobicContact CG2-CE 4.13Å; L133-M406 HydrophobicContact CD1-CG 4.32Å; L133-M406 HydrophobicContact CD1-SD 3.76Å; L133-M406 HydrophobicContact CD2-SD 3.68Å; L133-M406 HydrophobicContact CG-CE 4.43Å; L133-M406 HydrophobicContact CG-SD 3.55Å; L133-M406 VanDerWaalsContact CG-SD 3.55Å; N143-M406 HydrophobicContact CB-CE 4.05Å; N143-M406 WeakPolarHBondContact OD1-CE 3.06Å; R145-M406 VanDerWaalsContact CZ-CG 3.42Å; V337-M406 HydrophobicContact CG1-CB 4.32Å; V337-M406 HydrophobicContact CG2-CE 3.57Å; S404-M406 PolarHBondContact O-N 2.87Å; S404-M406 VanDerWaalsContact O-N 3.13Å
407	H	84.9	Confident	91	Very high	52 Å²	52	35.7 Å²	35.7	24%	0.241	18%	0.184	C	C	.	.			trans	-161.1	128.2	-176.5	-178.7	60.9	0	0	0	109.4	V337 N341 S404	V337-H407 HydrophobicContact CG1-CB 3.92Å; N341-H407 PolarHBondContact ND2-O 3.45Å; S404-H407 PolarHBondContact O-N 2.86Å
408	N	88.9	Confident	90.8	Very high	26 Å²	26	37.7 Å²	37.7	14%	0.139	20%	0.201	C	C	.	.			trans	-104	107.5	171.1	-173	-25	0	0	0	109.2	I400 K410 E411 A412	I400-N408 WeakPolarHBondContact CG2-OD1 3.35Å; N408-K410 PolarHBondContact O-N 2.96Å; N408-K410 WeakPolarHBondContact OD1-CB 3.47Å; N408-K410 PolarHBondContact OD1-N 3.01Å; N408-E411 HydrophobicContact CB-CB 3.97Å; N408-E411 HydrophobicContact CB-CG 4.05Å; N408-E411 WeakPolarHBondContact CB-OE2 3.46Å; N408-E411 PolarHBondContact ND2-OE1 2.98Å; N408-E411 PolarHBondContact O-N 3.28Å; N408-E411 PolarHBondContact OD1-N 2.8Å; N408-A412 WeakPolarHBondContact O-CB 3.48Å; N408-A412 PolarHBondContact O-N 3.22Å
409	I	88	Confident	90.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-34.7	-176.9	-60.8	175.7	0	0	0	110.7	L342 I345 I413 R448 L452	L342-I409 HydrophobicContact CD1-CD1 4.5Å; I345-I409 HydrophobicContact CD1-CD1 3.45Å; I345-I409 VanDerWaalsContact CD1-CD1 3.45Å; I345-I409 HydrophobicContact CD1-CG1 4.32Å; I409-I413 WeakPolarHBondContact O-CG1 3.47Å; I409-I413 PolarHBondContact O-N 3.45Å; I409-R448 HydrophobicContact CG2-CG 4.49Å; I409-L452 HydrophobicContact CD1-CD1 4.4Å
410	K	90.5	Very high	90.4	Very high	50 Å²	50	38.7 Å²	38.7	22%	0.217	20%	0.204	C	C	.	.	H	α-helix	trans	-71	-45.8	-179.4	-171.3	173.6	-173.1	169.8	0	111.5	D397 N408 A412 I413 Y414	D397-K410 WeakPolarHBondContact OD1-CD 3.49Å; D397-K410 IonicContact OD1-NZ 3.75Å; D397-K410 PolarHBondContact OD1-NZ 3.18Å; D397-K410 IonicContact OD2-NZ 3.98Å; D397-K410 PolarHBondContact OD2-NZ 3.41Å; N408-K410 PolarHBondContact O-N 2.96Å; N408-K410 WeakPolarHBondContact OD1-CB 3.47Å; N408-K410 PolarHBondContact OD1-N 3.01Å; K410-A412 VanDerWaalsContact C-N 3.29Å; K410-A412 PolarHBondContact O-N 3.43Å; K410-I413 PolarHBondContact O-N 3.25Å; K410-Y414 HydrophobicContact CG-CE2 4.03Å; K410-Y414 WeakPolarHBondContact O-CD2 3.31Å
411	E	90.6	Very high	89.9	Confident	93 Å²	93	43.9 Å²	43.9	44%	0.435	23%	0.228	S	C	.	.	H	α-helix	trans	-61.2	-40.2	176	-72.6	166.8	-168.5	0	0	111.5	N408 I413 Y414 E415	N408-E411 HydrophobicContact CB-CB 3.97Å; N408-E411 HydrophobicContact CB-CG 4.05Å; N408-E411 WeakPolarHBondContact CB-OE2 3.46Å; N408-E411 PolarHBondContact ND2-OE1 2.98Å; N408-E411 PolarHBondContact O-N 3.28Å; N408-E411 PolarHBondContact OD1-N 2.8Å; E411-I413 VanDerWaalsContact C-N 3.26Å; E411-I413 PolarHBondContact O-N 3.46Å; E411-Y414 PolarHBondContact O-N 2.72Å; E411-Y414 VanDerWaalsContact O-N 3.14Å; E411-E415 WeakPolarHBondContact O-CG 3.45Å; E411-E415 PolarHBondContact O-N 3.13Å
412	A	89.8	Confident	89.5	Confident	12 Å²	12	44.7 Å²	44.7	10%	0.099	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-34	178.4	0	0	0	0	0	113.4	N408 K410 N416	N408-A412 WeakPolarHBondContact O-CB 3.48Å; N408-A412 PolarHBondContact O-N 3.22Å; K410-A412 VanDerWaalsContact C-N 3.29Å; K410-A412 PolarHBondContact O-N 3.43Å; A412-N416 WeakPolarHBondContact O-CB 3.33Å; A412-N416 VanDerWaalsContact O-CG 3.23Å; A412-N416 PolarHBondContact O-N 3.3Å; A412-N416 PolarHBondContact O-ND2 2.54Å
413	I	91.8	Very high	89.1	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-52.3	175.6	-59.1	162.3	0	0	0	109.8	F376 I409 K410 E411 E415 N416 A417 T442 L446 Y449	F376-I413 HydrophobicContact CD2-CG2 4.1Å; F376-I413 HydrophobicContact CE2-CB 4.31Å; F376-I413 HydrophobicContact CE2-CG2 3.3Å; F376-I413 HydrophobicContact CZ-CG2 3.6Å; I409-I413 WeakPolarHBondContact O-CG1 3.47Å; I409-I413 PolarHBondContact O-N 3.45Å; K410-I413 PolarHBondContact O-N 3.25Å; E411-I413 VanDerWaalsContact C-N 3.26Å; E411-I413 PolarHBondContact O-N 3.46Å; I413-E415 PolarHBondContact O-N 2.77Å; I413-N416 PolarHBondContact O-N 2.96Å; I413-A417 WeakPolarHBondContact O-CB 3.36Å; I413-A417 PolarHBondContact O-N 3.49Å; I413-T442 HydrophobicContact CG2-CG2 4.37Å; I413-L446 HydrophobicContact CD1-CD1 4.37Å; I413-L446 HydrophobicContact CG2-CB 4.18Å; I413-L446 HydrophobicContact CG2-CD1 4.48Å; I413-Y449 HydrophobicContact CD1-CD1 4.26Å; I413-Y449 HydrophobicContact CD1-CG 4.14Å
414	Y	91.8	Very high	88	Confident	31 Å²	31	47.8 Å²	47.8	12%	0.122	27%	0.273	C	S	.	.	H	α-helix	trans	-68.4	-34.4	-178.2	-68.1	-72.4	0	0	0	112.9	R373 P374 F376 K410 E411 A417 S418	R373-Y414 HydrophobicContact CB-CD1 4.37Å; R373-Y414 HydrophobicContact CB-CE1 3.82Å; R373-Y414 HydrophobicContact CB-CE2 4.08Å; P374-Y414 VanDerWaalsContact O-CE1 3.3Å; P374-Y414 WeakPolarHBondContact O-CE1 3.45Å; P374-Y414 PolarHBondContact O-OH 3.37Å; F376-Y414 HydrophobicContact CD2-CE1 4.44Å; F376-Y414 AromaticContact CE2-CD1 3.96Å; F376-Y414 HydrophobicContact CE2-CD1 3.96Å; F376-Y414 AromaticContact CE2-CE1 3.57Å; F376-Y414 HydrophobicContact CE2-CE1 3.57Å; F376-Y414 HydrophobicContact CE2-CE2 4.47Å; F376-Y414 AromaticContact CE2-CZ 3.86Å; F376-Y414 AromaticContact CZ-CD1 3.89Å; F376-Y414 HydrophobicContact CZ-CD1 3.89Å; F376-Y414 AromaticContact CZ-CE1 3.85Å; F376-Y414 HydrophobicContact CZ-CE1 3.85Å; K410-Y414 HydrophobicContact CG-CE2 4.03Å; K410-Y414 WeakPolarHBondContact O-CD2 3.31Å; E411-Y414 PolarHBondContact O-N 2.72Å; E411-Y414 VanDerWaalsContact O-N 3.14Å; Y414-A417 PolarHBondContact O-N 3.35Å; Y414-S418 VanDerWaalsContact O-CB 3.23Å; Y414-S418 WeakPolarHBondContact O-CB 3.37Å; Y414-S418 PolarHBondContact O-N 3.4Å
415	E	91.6	Very high	87	Confident	101 Å²	101	52.5 Å²	52.5	47%	0.472	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-42.3	173.6	-74.1	179.2	-167.6	0	0	111.9	E411 I413 K419	E411-E415 WeakPolarHBondContact O-CG 3.45Å; E411-E415 PolarHBondContact O-N 3.13Å; I413-E415 PolarHBondContact O-N 2.77Å; E415-K419 WeakPolarHBondContact O-CB 3.19Å; E415-K419 VanDerWaalsContact O-CG 3.25Å; E415-K419 WeakPolarHBondContact O-CG 3.23Å; E415-K419 PolarHBondContact O-N 3.29Å
416	N	91.6	Very high	86.1	Confident	14 Å²	14	51.2 Å²	51.2	8%	0.075	29%	0.288	C	S	.	.	H	α-helix	trans	-68.7	-41.3	176.8	-68.4	-39.2	0	0	0	111.3	A412 I413 K419 L420 R441 T442 S445	A412-N416 WeakPolarHBondContact O-CB 3.33Å; A412-N416 VanDerWaalsContact O-CG 3.23Å; A412-N416 PolarHBondContact O-N 3.3Å; A412-N416 PolarHBondContact O-ND2 2.54Å; I413-N416 PolarHBondContact O-N 2.96Å; N416-K419 PolarHBondContact O-N 3.31Å; N416-L420 WeakPolarHBondContact O-CB 3.36Å; N416-L420 PolarHBondContact O-N 3.23Å; N416-R441 HydrophobicContact CB-CB 4.49Å; N416-T442 VanDerWaalsContact C-OG1 3.26Å; N416-T442 VanDerWaalsContact CB-OG1 3.25Å; N416-T442 WeakPolarHBondContact CB-OG1 3.22Å; N416-S445 PolarHBondContact ND2-OG 2.81Å
417	A	90.3	Very high	85.1	Confident	6 Å²	6	56.5 Å²	56.5	5%	0.05	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-45.4	175.7	0	0	0	0	0	111.9	F376 I413 Y414 K419 L420 E421 T442	F376-A417 HydrophobicContact CE1-CB 4.44Å; F376-A417 HydrophobicContact CZ-CB 4.27Å; I413-A417 WeakPolarHBondContact O-CB 3.36Å; I413-A417 PolarHBondContact O-N 3.49Å; Y414-A417 PolarHBondContact O-N 3.35Å; A417-K419 VanDerWaalsContact C-N 3.35Å; A417-K419 PolarHBondContact O-N 3.12Å; A417-L420 WeakPolarHBondContact O-CB 3.26Å; A417-L420 PolarHBondContact O-N 3.26Å; A417-L420 VanDerWaalsContact O-N 3.14Å; A417-E421 WeakPolarHBondContact O-CG 3.36Å; A417-E421 PolarHBondContact O-N 2.93Å; A417-T442 HydrophobicContact CB-CG2 3.95Å; A417-T442 PolarHBondContact N-OG1 3.25Å
418	S	90.4	Very high	84.1	Confident	77 Å²	77	61.9 Å²	61.9	54%	0.538	33%	0.332	S	S	.	.	H	α-helix	trans	-63.7	-39.2	176.8	179.1	0	0	0	0	112.2	Y414 E421 G422	Y414-S418 VanDerWaalsContact O-CB 3.23Å; Y414-S418 WeakPolarHBondContact O-CB 3.37Å; Y414-S418 PolarHBondContact O-N 3.4Å; S418-E421 PolarHBondContact O-N 3.16Å; S418-G422 PolarHBondContact O-N 3.1Å
419	K	91	Very high	82.3	Confident	103 Å²	103	64.1 Å²	64.1	45%	0.448	35%	0.346	S	S	.	.	H	α-helix	trans	-64.4	-40.1	172.8	-74.4	170.7	-171.5	165.4	0	111.6	E415 N416 A417 G422 I423 F438	E415-K419 WeakPolarHBondContact O-CB 3.19Å; E415-K419 VanDerWaalsContact O-CG 3.25Å; E415-K419 WeakPolarHBondContact O-CG 3.23Å; E415-K419 PolarHBondContact O-N 3.29Å; N416-K419 PolarHBondContact O-N 3.31Å; A417-K419 VanDerWaalsContact C-N 3.35Å; A417-K419 PolarHBondContact O-N 3.12Å; K419-G422 PolarHBondContact O-N 3.03Å; K419-I423 WeakPolarHBondContact O-CD1 3.49Å; K419-I423 VanDerWaalsContact O-CG1 3.26Å; K419-I423 WeakPolarHBondContact O-CG1 3.47Å; K419-F438 HydrophobicContact CB-CD1 3.8Å; K419-F438 HydrophobicContact CB-CE1 3.81Å; K419-F438 HydrophobicContact CB-CG 4.19Å; K419-F438 HydrophobicContact CB-CZ 4.17Å; K419-F438 HydrophobicContact CD-CD1 4.16Å; K419-F438 HydrophobicContact CD-CE1 3.45Å; K419-F438 VanDerWaalsContact CD-CE1 3.45Å; K419-F438 HydrophobicContact CD-CZ 3.92Å; K419-F438 HydrophobicContact CG-CE1 4.23Å
420	L	88.8	Confident	80.4	Confident	2 Å²	2	73.5 Å²	73.5	1%	0.01	39%	0.39	C	S	.	.	H	α-helix	trans	-59.7	-49	176.2	176.3	63.8	0	0	0	111.6	N416 A417 G422 I423 K435 F438 L439 F886 F890	N416-L420 WeakPolarHBondContact O-CB 3.36Å; N416-L420 PolarHBondContact O-N 3.23Å; A417-L420 WeakPolarHBondContact O-CB 3.26Å; A417-L420 PolarHBondContact O-N 3.26Å; A417-L420 VanDerWaalsContact O-N 3.14Å; L420-G422 VanDerWaalsContact C-N 3.32Å; L420-G422 PolarHBondContact O-N 2.93Å; L420-I423 PolarHBondContact O-N 3.4Å; L420-K435 HydrophobicContact CD1-CB 4.07Å; L420-K435 HydrophobicContact CD1-CG 4.38Å; L420-K435 VanDerWaalsContact CD1-O 3.24Å; L420-K435 WeakPolarHBondContact CD1-O 3.45Å; L420-F438 HydrophobicContact CB-CB 4.03Å; L420-F438 HydrophobicContact CD1-CB 4.25Å; L420-L439 HydrophobicContact CD1-CB 4.15Å; L420-L439 HydrophobicContact CD2-CB 4.16Å; L420-L439 HydrophobicContact CD2-CD1 3.86Å; L420-F886 HydrophobicContact CD1-CD1 4.18Å; L420-F886 HydrophobicContact CD1-CE1 4.27Å; L420-F886 HydrophobicContact CD2-CD1 4.38Å; L420-F886 HydrophobicContact CD2-CE1 3.84Å; L420-F886 HydrophobicContact CD2-CE2 4.15Å; L420-F886 HydrophobicContact CD2-CZ 3.72Å; L420-F886 HydrophobicContact CG-CD1 4.34Å; L420-F886 HydrophobicContact CG-CE1 3.92Å; L420-F886 HydrophobicContact CG-CZ 4.3Å; L420-F890 HydrophobicContact CD2-CB 4.26Å
421	E	86.1	Confident	78.9	Confident	112 Å²	112	74.9 Å²	74.9	52%	0.523	42%	0.419	S	S	.	.	H	α-helix	trans	-65.4	-34	179.3	-71.5	171.3	-172.6	0	0	112.6	A417 S418 I423	A417-E421 WeakPolarHBondContact O-CG 3.36Å; A417-E421 PolarHBondContact O-N 2.93Å; S418-E421 PolarHBondContact O-N 3.16Å; E421-I423 PolarHBondContact O-N 3.11Å
422	G	85.1	Confident	77.5	Confident	66 Å²	66	72.1 Å²	72.1	68%	0.68	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.4	178.4	0	0	0	0	0	115.2	S418 K419 L420 G424	S418-G422 PolarHBondContact O-N 3.1Å; K419-G422 PolarHBondContact O-N 3.03Å; L420-G422 VanDerWaalsContact C-N 3.32Å; L420-G422 PolarHBondContact O-N 2.93Å; G422-G424 PolarHBondContact O-N 2.75Å
423	I	83.9	Confident	77	Confident	27 Å²	27	73.3 Å²	73.3	14%	0.138	42%	0.416	C	S	.	.			trans	-82.6	107.7	-178.5	-62	154.9	0	0	0	110.2	K419 L420 E421 E425 T434 K435 F438	K419-I423 WeakPolarHBondContact O-CD1 3.49Å; K419-I423 VanDerWaalsContact O-CG1 3.26Å; K419-I423 WeakPolarHBondContact O-CG1 3.47Å; L420-I423 PolarHBondContact O-N 3.4Å; E421-I423 PolarHBondContact O-N 3.11Å; I423-E425 WeakPolarHBondContact CG2-O 3.41Å; I423-T434 HydrophobicContact CD1-CG2 3.94Å; I423-T434 HydrophobicContact CG1-CG2 4.45Å; I423-K435 HydrophobicContact CB-CG 3.96Å; I423-K435 HydrophobicContact CD1-CG 4.07Å; I423-K435 HydrophobicContact CG2-CD 4.31Å; I423-K435 HydrophobicContact CG2-CG 3.67Å; I423-K435 WeakPolarHBondContact O-CE 3.38Å; I423-K435 PolarHBondContact O-NZ 3.37Å; I423-F438 HydrophobicContact CD1-CB 4.46Å; I423-F438 HydrophobicContact CD1-CD2 3.65Å; I423-F438 HydrophobicContact CD1-CE2 4.35Å; I423-F438 HydrophobicContact CD1-CG 4.41Å
424	G	71	Confident	76.6	Confident	67 Å²	67	74.5 Å²	74.5	69%	0.691	42%	0.424	S	S	*	.			trans	-72.8	-77.2	172	0	0	0	0	0	112.5	G422	G422-G424 PolarHBondContact O-N 2.75Å
425	E	66.8	Low	76.2	Confident	133 Å²	133	75.2 Å²	75.2	62%	0.621	43%	0.427	S	S	*	.	S	Bend	trans	-86.4	133.4	176.9	-66.7	-173.9	167.9	0	0	111.1	I423 Y427	I423-E425 WeakPolarHBondContact CG2-O 3.41Å; E425-Y427 HydrophobicContact CB-CE1 4.26Å; E425-Y427 HydrophobicContact CB-CE2 4.02Å; E425-Y427 WeakPolarHBondContact O-CD2 3.41Å; E425-Y427 PolarHBondContact O-N 3.03Å; E425-Y427 PolarHBondContact OE2-OH 2.83Å
426	D	70.1	Confident	75.8	Confident	67 Å²	67	74.8 Å²	74.8	36%	0.358	43%	0.425	S	S	.	.			trans	-90.9	98.4	-176	-158.9	12.3	0	0	0	110.4	T433 T434 K435	D426-T433 VanDerWaalsContact CG-OG1 3.26Å; D426-T433 WeakPolarHBondContact OD1-CB 3.25Å; D426-T433 PolarHBondContact OD1-OG1 2.87Å; D426-T433 VanDerWaalsContact OD1-OG1 3.11Å; D426-T433 WeakPolarHBondContact OD2-CB 3.01Å; D426-T433 PolarHBondContact OD2-OG1 2.92Å; D426-T434 PolarHBondContact OD1-N 3.4Å; D426-K435 HydrophobicContact CB-CD 4.3Å; D426-K435 HydrophobicContact CB-CG 4.43Å; D426-K435 WeakPolarHBondContact OD1-CG 3.18Å; D426-K435 PolarHBondContact OD1-N 3.1Å
427	Y	64.6	Low	75.6	Confident	145 Å²	145	79 Å²	79	57%	0.569	44%	0.441	S	S	*	.			trans	-84.3	145.1	176.9	-54.8	-74.6	0	0	0	110.8	E425 T434	E425-Y427 HydrophobicContact CB-CE1 4.26Å; E425-Y427 HydrophobicContact CB-CE2 4.02Å; E425-Y427 WeakPolarHBondContact O-CD2 3.41Å; E425-Y427 PolarHBondContact O-N 3.03Å; E425-Y427 PolarHBondContact OE2-OH 2.83Å; Y427-T434 PolarHBondContact O-N 2.98Å; Y427-T434 PolarHBondContact O-OG1 3.07Å
428	Q	62.7	Low	75.6	Confident	166 Å²	166	80.7 Å²	80.7	78%	0.776	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	127.6	173.2	-69.6	-175	-12.1	0	0	110.7
429	T	52.4	Low	75.5	Confident	72 Å²	72	77.7 Å²	77.7	44%	0.442	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.3	169.3	24.5	0	0	0	0	108.9	G431 S432	T429-G431 PolarHBondContact O-N 3.47Å; T429-G431 VanDerWaalsContact O-N 3.08Å; T429-S432 CarbonylContact C-O 3.52Å; T429-S432 PolarHBondContact N-O 2.83Å; T429-S432 PolarHBondContact O-N 3.32Å; T429-S432 VanDerWaalsContact O-N 3.09Å; T429-S432 PolarHBondContact O-OG 3.01Å
430	Q	47.8	Very low	75.4	Confident	197 Å²	197	76.1 Å²	76.1	92%	0.921	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	35.5	175.4	-60.7	-179	-10.4	0	0	115
431	G	58	Low	75.5	Confident	80 Å²	80	80.1 Å²	80.1	83%	0.825	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	-6.9	177	0	0	0	0	0	115.9	T429	T429-G431 PolarHBondContact O-N 3.47Å; T429-G431 VanDerWaalsContact O-N 3.08Å
432	S	61.7	Low	75.8	Confident	34 Å²	34	74.8 Å²	74.8	24%	0.238	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	155.2	168	67	0	0	0	0	110.4	T429	T429-S432 CarbonylContact C-O 3.52Å; T429-S432 PolarHBondContact N-O 2.83Å; T429-S432 PolarHBondContact O-N 3.32Å; T429-S432 VanDerWaalsContact O-N 3.09Å; T429-S432 PolarHBondContact O-OG 3.01Å
433	T	79.8	Confident	76.1	Confident	37 Å²	37	73.4 Å²	73.4	23%	0.227	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	153.4	173.7	85.2	0	0	0	0	110.6	D426 K435 E436 Y437	D426-T433 VanDerWaalsContact CG-OG1 3.26Å; D426-T433 WeakPolarHBondContact OD1-CB 3.25Å; D426-T433 PolarHBondContact OD1-OG1 2.87Å; D426-T433 VanDerWaalsContact OD1-OG1 3.11Å; D426-T433 WeakPolarHBondContact OD2-CB 3.01Å; D426-T433 PolarHBondContact OD2-OG1 2.92Å; T433-K435 PolarHBondContact O-N 2.8Å; T433-E436 WeakPolarHBondContact O-CB 3.4Å; T433-E436 PolarHBondContact O-N 3.43Å; T433-E436 PolarHBondContact OG1-N 2.9Å; T433-E436 VanDerWaalsContact OG1-N 3.14Å; T433-Y437 PolarHBondContact O-N 3.45Å
434	T	82.9	Confident	76.4	Confident	28 Å²	28	74.5 Å²	74.5	17%	0.172	39%	0.391	C	S	.	.	H	α-helix	trans	-60.3	-35.6	179.6	-52.9	0	0	0	0	110.5	I423 D426 Y427 Y437 F438	I423-T434 HydrophobicContact CD1-CG2 3.94Å; I423-T434 HydrophobicContact CG1-CG2 4.45Å; D426-T434 PolarHBondContact OD1-N 3.4Å; Y427-T434 PolarHBondContact O-N 2.98Å; Y427-T434 PolarHBondContact O-OG1 3.07Å; T434-Y437 PolarHBondContact O-N 3.47Å; T434-F438 HydrophobicContact CG2-CD2 4.02Å; T434-F438 HydrophobicContact CG2-CE2 3.93Å; T434-F438 WeakPolarHBondContact O-CD2 3.26Å; T434-F438 PolarHBondContact O-N 2.81Å
435	K	83.6	Confident	77.4	Confident	46 Å²	46	71.9 Å²	71.9	20%	0.2	36%	0.362	C	S	.	.	H	α-helix	trans	-63	-47.4	171.7	-71.8	-172.3	177	-172.5	0	112.2	L420 I423 D426 T433 Y437 F438 L439	L420-K435 HydrophobicContact CD1-CB 4.07Å; L420-K435 HydrophobicContact CD1-CG 4.38Å; L420-K435 VanDerWaalsContact CD1-O 3.24Å; L420-K435 WeakPolarHBondContact CD1-O 3.45Å; I423-K435 HydrophobicContact CB-CG 3.96Å; I423-K435 HydrophobicContact CD1-CG 4.07Å; I423-K435 HydrophobicContact CG2-CD 4.31Å; I423-K435 HydrophobicContact CG2-CG 3.67Å; I423-K435 WeakPolarHBondContact O-CE 3.38Å; I423-K435 PolarHBondContact O-NZ 3.37Å; D426-K435 HydrophobicContact CB-CD 4.3Å; D426-K435 HydrophobicContact CB-CG 4.43Å; D426-K435 WeakPolarHBondContact OD1-CG 3.18Å; D426-K435 PolarHBondContact OD1-N 3.1Å; T433-K435 PolarHBondContact O-N 2.8Å; K435-Y437 VanDerWaalsContact C-N 3.29Å; K435-Y437 PolarHBondContact O-N 3.04Å; K435-F438 PolarHBondContact O-N 3.27Å; K435-L439 VanDerWaalsContact O-CB 3.22Å; K435-L439 WeakPolarHBondContact O-CB 3.36Å; K435-L439 PolarHBondContact O-N 3.23Å
436	E	84.2	Confident	78.7	Confident	92 Å²	92	65.5 Å²	65.5	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-59.4	-40.9	178.6	-174.3	176.1	-165	0	0	111.9	T433 L439 N440	T433-E436 WeakPolarHBondContact O-CB 3.4Å; T433-E436 PolarHBondContact O-N 3.43Å; T433-E436 PolarHBondContact OG1-N 2.9Å; T433-E436 VanDerWaalsContact OG1-N 3.14Å; E436-L439 PolarHBondContact O-N 2.75Å; E436-N440 WeakPolarHBondContact O-CB 3.47Å; E436-N440 VanDerWaalsContact O-CG 3.27Å; E436-N440 PolarHBondContact O-N 3.49Å; E436-N440 PolarHBondContact O-ND2 3.46Å
437	Y	86.4	Confident	79.9	Confident	103 Å²	103	63.2 Å²	63.2	40%	0.404	32%	0.32	S	S	.	.	H	α-helix	trans	-58.3	-53.3	175	175.1	-99.7	0	0	0	112.3	T433 T434 K435 N440 R441	T433-Y437 PolarHBondContact O-N 3.45Å; T434-Y437 PolarHBondContact O-N 3.47Å; K435-Y437 VanDerWaalsContact C-N 3.29Å; K435-Y437 PolarHBondContact O-N 3.04Å; Y437-N440 PolarHBondContact O-N 2.61Å; Y437-R441 HydrophobicContact CE1-CG 4.5Å; Y437-R441 WeakPolarHBondContact O-CG 3.41Å; Y437-R441 PolarHBondContact O-N 2.59Å; Y437-R441 PolarHBondContact OH-NH1 3Å
438	F	89.4	Confident	81.3	Confident	40 Å²	40	57.5 Å²	57.5	18%	0.175	30%	0.297	C	S	.	.	H	α-helix	trans	-70.5	-31.7	179.8	-78	-70.9	0	0	0	113.1	K419 L420 I423 T434 K435 R441 T442	K419-F438 HydrophobicContact CB-CD1 3.8Å; K419-F438 HydrophobicContact CB-CE1 3.81Å; K419-F438 HydrophobicContact CB-CG 4.19Å; K419-F438 HydrophobicContact CB-CZ 4.17Å; K419-F438 HydrophobicContact CD-CD1 4.16Å; K419-F438 HydrophobicContact CD-CE1 3.45Å; K419-F438 VanDerWaalsContact CD-CE1 3.45Å; K419-F438 HydrophobicContact CD-CZ 3.92Å; K419-F438 HydrophobicContact CG-CE1 4.23Å; L420-F438 HydrophobicContact CB-CB 4.03Å; L420-F438 HydrophobicContact CD1-CB 4.25Å; I423-F438 HydrophobicContact CD1-CB 4.46Å; I423-F438 HydrophobicContact CD1-CD2 3.65Å; I423-F438 HydrophobicContact CD1-CE2 4.35Å; I423-F438 HydrophobicContact CD1-CG 4.41Å; T434-F438 HydrophobicContact CG2-CD2 4.02Å; T434-F438 HydrophobicContact CG2-CE2 3.93Å; T434-F438 WeakPolarHBondContact O-CD2 3.26Å; T434-F438 PolarHBondContact O-N 2.81Å; K435-F438 PolarHBondContact O-N 3.27Å; F438-R441 PolarHBondContact O-N 2.8Å; F438-T442 WeakPolarHBondContact O-CB 3.4Å; F438-T442 PolarHBondContact O-N 2.81Å; F438-T442 PolarHBondContact O-OG1 3.1Å
439	L	89.2	Confident	82.9	Confident	15 Å²	15	49.9 Å²	49.9	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-49.2	172.1	179.5	64	0	0	0	110.6	L420 K435 E436 R441 T442 K443 F886 F890	L420-L439 HydrophobicContact CD1-CB 4.15Å; L420-L439 HydrophobicContact CD2-CB 4.16Å; L420-L439 HydrophobicContact CD2-CD1 3.86Å; K435-L439 VanDerWaalsContact O-CB 3.22Å; K435-L439 WeakPolarHBondContact O-CB 3.36Å; K435-L439 PolarHBondContact O-N 3.23Å; E436-L439 PolarHBondContact O-N 2.75Å; L439-R441 PolarHBondContact O-N 3.44Å; L439-T442 PolarHBondContact O-N 2.97Å; L439-K443 HydrophobicContact CD1-CD 4.41Å; L439-K443 HydrophobicContact CG-CD 4.2Å; L439-K443 WeakPolarHBondContact O-CG 3.35Å; L439-K443 PolarHBondContact O-N 2.89Å; L439-F886 HydrophobicContact CD1-CD2 3.78Å; L439-F886 HydrophobicContact CD1-CE2 3.84Å; L439-F886 HydrophobicContact CD2-CB 4.2Å; L439-F886 HydrophobicContact CD2-CD2 3.95Å; L439-F886 HydrophobicContact CD2-CG 4.36Å; L439-F886 HydrophobicContact CG-CD2 4.46Å; L439-F890 HydrophobicContact CD1-CD2 3.68Å; L439-F890 HydrophobicContact CD1-CE2 3.91Å
440	N	89.2	Confident	85	Confident	70 Å²	70	46.4 Å²	46.4	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-42.7	178.4	-73.4	-25.5	0	0	0	111.8	E436 Y437 T442 K443 Q444	E436-N440 WeakPolarHBondContact O-CB 3.47Å; E436-N440 VanDerWaalsContact O-CG 3.27Å; E436-N440 PolarHBondContact O-N 3.49Å; E436-N440 PolarHBondContact O-ND2 3.46Å; Y437-N440 PolarHBondContact O-N 2.61Å; N440-T442 VanDerWaalsContact C-N 3.34Å; N440-T442 PolarHBondContact O-N 3.42Å; N440-K443 PolarHBondContact O-N 2.9Å; N440-Q444 WeakPolarHBondContact O-CB 3.41Å; N440-Q444 VanDerWaalsContact O-CG 3.24Å; N440-Q444 WeakPolarHBondContact O-CG 3.45Å; N440-Q444 PolarHBondContact O-N 2.97Å
441	R	89.9	Confident	87.4	Confident	86 Å²	86	37.1 Å²	37.1	33%	0.325	20%	0.197	S	C	.	.	H	α-helix	trans	-63.5	-38.2	175	-69.6	-170.2	82.2	92.6	10.1	113.1	N416 Y437 F438 L439 S445	N416-R441 HydrophobicContact CB-CB 4.49Å; Y437-R441 HydrophobicContact CE1-CG 4.5Å; Y437-R441 WeakPolarHBondContact O-CG 3.41Å; Y437-R441 PolarHBondContact O-N 2.59Å; Y437-R441 PolarHBondContact OH-NH1 3Å; F438-R441 PolarHBondContact O-N 2.8Å; L439-R441 PolarHBondContact O-N 3.44Å; R441-S445 WeakPolarHBondContact O-CB 3.21Å; R441-S445 PolarHBondContact O-N 3.28Å; R441-S445 PolarHBondContact O-OG 2.9Å
442	T	92.1	Very high	89.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-49	176.2	-55	0	0	0	0	110.1	I413 N416 A417 F438 L439 N440 S445 L446 F890	I413-T442 HydrophobicContact CG2-CG2 4.37Å; N416-T442 VanDerWaalsContact C-OG1 3.26Å; N416-T442 VanDerWaalsContact CB-OG1 3.25Å; N416-T442 WeakPolarHBondContact CB-OG1 3.22Å; A417-T442 HydrophobicContact CB-CG2 3.95Å; A417-T442 PolarHBondContact N-OG1 3.25Å; F438-T442 WeakPolarHBondContact O-CB 3.4Å; F438-T442 PolarHBondContact O-N 2.81Å; F438-T442 PolarHBondContact O-OG1 3.1Å; L439-T442 PolarHBondContact O-N 2.97Å; N440-T442 VanDerWaalsContact C-N 3.34Å; N440-T442 PolarHBondContact O-N 3.42Å; T442-S445 PolarHBondContact O-N 3.08Å; T442-L446 WeakPolarHBondContact O-CB 3.33Å; T442-L446 PolarHBondContact O-N 2.73Å; T442-F890 HydrophobicContact CG2-CD1 3.56Å; T442-F890 HydrophobicContact CG2-CE1 3.46Å; T442-F890 VanDerWaalsContact CG2-CE1 3.46Å; T442-F890 HydrophobicContact CG2-CG 4.24Å; T442-F890 HydrophobicContact CG2-CZ 4.07Å
443	K	91.4	Very high	91	Very high	37 Å²	37	31.7 Å²	31.7	16%	0.161	15%	0.146	C	C	.	.	H	α-helix	trans	-56.8	-51.3	175.5	-72.6	175.1	-179.4	-177.2	0	112.1	L439 N440 S445 L446 E447 M488 D489 F890	L439-K443 HydrophobicContact CD1-CD 4.41Å; L439-K443 HydrophobicContact CG-CD 4.2Å; L439-K443 WeakPolarHBondContact O-CG 3.35Å; L439-K443 PolarHBondContact O-N 2.89Å; N440-K443 PolarHBondContact O-N 2.9Å; K443-S445 VanDerWaalsContact C-N 3.32Å; K443-S445 PolarHBondContact O-N 2.77Å; K443-L446 PolarHBondContact O-N 3.5Å; K443-E447 VanDerWaalsContact O-CB 3.28Å; K443-E447 WeakPolarHBondContact O-CB 3.36Å; K443-E447 PolarHBondContact O-N 3.18Å; K443-M488 HydrophobicContact CB-SD 4.27Å; K443-M488 HydrophobicContact CG-SD 4.45Å; K443-D489 WeakPolarHBondContact CE-OD2 3.33Å; K443-D489 IonicContact NZ-OD2 2.85Å; K443-D489 PolarHBondContact NZ-OD2 3.4Å; K443-F890 HydrophobicContact CG-CE2 3.92Å; K443-F890 HydrophobicContact CG-CZ 4.05Å
444	Q	91.6	Very high	91.9	Very high	49 Å²	49	30 Å²	30	23%	0.229	14%	0.135	C	C	.	.	H	α-helix	trans	-59	-41.1	178.7	-75	174.8	-2.7	0	0	112.6	E295 N440 R448	E295-Q444 PolarHBondContact OE2-NE2 3.39Å; E295-Q444 VanDerWaalsContact OE2-NE2 3.16Å; N440-Q444 WeakPolarHBondContact O-CB 3.41Å; N440-Q444 VanDerWaalsContact O-CG 3.24Å; N440-Q444 WeakPolarHBondContact O-CG 3.45Å; N440-Q444 PolarHBondContact O-N 2.97Å; Q444-R448 PolarHBondContact O-N 2.77Å; Q444-R448 VanDerWaalsContact O-N 3.11Å
445	S	92.4	Very high	92.6	Very high	12 Å²	12	28.6 Å²	28.6	8%	0.084	13%	0.127	C	C	.	.	H	α-helix	trans	-70	-40.9	179.8	-56.7	0	0	0	0	111.3	N416 R441 T442 K443 R448 Y449	N416-S445 PolarHBondContact ND2-OG 2.81Å; R441-S445 WeakPolarHBondContact O-CB 3.21Å; R441-S445 PolarHBondContact O-N 3.28Å; R441-S445 PolarHBondContact O-OG 2.9Å; T442-S445 PolarHBondContact O-N 3.08Å; K443-S445 VanDerWaalsContact C-N 3.32Å; K443-S445 PolarHBondContact O-N 2.77Å; S445-R448 PolarHBondContact O-N 2.91Å; S445-Y449 PolarHBondContact O-N 3.08Å
446	L	93.9	Very high	93.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68.9	-40.1	177.6	-178	56.4	0	0	0	111.8	F376 V378 I379 I413 T442 K443 R448 Y449 F450 M488 F890	F376-L446 HydrophobicContact CB-CD1 4.2Å; F376-L446 HydrophobicContact CB-CD2 4.01Å; F376-L446 HydrophobicContact CD1-CD2 4.34Å; F376-L446 HydrophobicContact CD2-CD1 3.87Å; F376-L446 HydrophobicContact CD2-CD2 4.38Å; F376-L446 HydrophobicContact CG-CD1 4.17Å; F376-L446 HydrophobicContact CG-CD2 3.97Å; V378-L446 HydrophobicContact CG1-CD1 4.19Å; V378-L446 HydrophobicContact CG1-CD2 3.72Å; V378-L446 HydrophobicContact CG1-CG 4Å; I379-L446 HydrophobicContact CD1-CD1 3.95Å; I379-L446 HydrophobicContact CG1-CD1 3.72Å; I413-L446 HydrophobicContact CD1-CD1 4.37Å; I413-L446 HydrophobicContact CG2-CB 4.18Å; I413-L446 HydrophobicContact CG2-CD1 4.48Å; T442-L446 WeakPolarHBondContact O-CB 3.33Å; T442-L446 PolarHBondContact O-N 2.73Å; K443-L446 PolarHBondContact O-N 3.5Å; L446-R448 VanDerWaalsContact C-N 3.32Å; L446-R448 PolarHBondContact O-N 3.4Å; L446-Y449 PolarHBondContact O-N 3.12Å; L446-F450 WeakPolarHBondContact O-CB 3.44Å; L446-F450 PolarHBondContact O-N 3.39Å; L446-M488 HydrophobicContact CB-SD 3.81Å; L446-M488 HydrophobicContact CD2-CG 3.61Å; L446-M488 HydrophobicContact CD2-SD 3.76Å; L446-M488 HydrophobicContact CG-CE 4.24Å; L446-M488 HydrophobicContact CG-CG 4.19Å; L446-M488 HydrophobicContact CG-SD 3.78Å; L446-F890 HydrophobicContact CD2-CE1 3.58Å; L446-F890 HydrophobicContact CD2-CZ 3.91Å
447	E	94.4	Very high	93.9	Very high	18 Å²	18	22.6 Å²	22.6	8%	0.084	10%	0.101	C	C	.	.	H	α-helix	trans	-57.2	-45.6	172.3	-175.2	-179.2	-171.4	0	0	111	A297 K443 Y449 F450 Y451 L485 M488 R873	A297-E447 HydrophobicContact CB-CB 4.45Å; A297-E447 HydrophobicContact CB-CG 3.76Å; K443-E447 VanDerWaalsContact O-CB 3.28Å; K443-E447 WeakPolarHBondContact O-CB 3.36Å; K443-E447 PolarHBondContact O-N 3.18Å; E447-Y449 VanDerWaalsContact C-N 3.33Å; E447-Y449 PolarHBondContact O-N 2.92Å; E447-F450 WeakPolarHBondContact O-CB 3.47Å; E447-F450 PolarHBondContact O-N 2.85Å; E447-Y451 HydrophobicContact CG-CD2 3.78Å; E447-Y451 HydrophobicContact CG-CE2 3.75Å; E447-Y451 WeakPolarHBondContact O-CD2 3.36Å; E447-Y451 PolarHBondContact O-N 2.94Å; E447-L485 HydrophobicContact CG-CD1 4.07Å; E447-L485 HydrophobicContact CG-CD2 4.2Å; E447-M488 HydrophobicContact CB-CE 3.85Å; E447-R873 IonicContact OE1-CZ 2.67Å; E447-R873 IonicContact OE1-NE 3.6Å; E447-R873 PolarHBondContact OE1-NE 3.24Å; E447-R873 IonicContact OE1-NH2 3.17Å; E447-R873 PolarHBondContact OE1-NH2 3.18Å
448	R	94.7	Very high	94.5	Very high	26 Å²	26	17.7 Å²	17.7	10%	0.098	8%	0.082	C	C	.	.	H	α-helix	trans	-59.7	-44	177	-171.1	-177	-62.3	148.9	-1.9	112	G296 A297 L342 I409 Q444 S445 L446 Y451 L452	G296-R448 PolarHBondContact O-NE 3.2Å; G296-R448 PolarHBondContact O-NH2 2.83Å; A297-R448 HydrophobicContact CB-CB 4.31Å; L342-R448 HydrophobicContact CD1-CG 3.92Å; L342-R448 HydrophobicContact CD2-CG 4.33Å; I409-R448 HydrophobicContact CG2-CG 4.49Å; Q444-R448 PolarHBondContact O-N 2.77Å; Q444-R448 VanDerWaalsContact O-N 3.11Å; S445-R448 PolarHBondContact O-N 2.91Å; L446-R448 VanDerWaalsContact C-N 3.32Å; L446-R448 PolarHBondContact O-N 3.4Å; R448-Y451 PolarHBondContact O-N 3.32Å; R448-L452 WeakPolarHBondContact O-CG 3.28Å; R448-L452 PolarHBondContact O-N 3.41Å; R448-L452 VanDerWaalsContact O-N 3.09Å
449	Y	95.9	Very high	94.8	Very high	5 Å²	5	15.8 Å²	15.8	2%	0.02	7%	0.074	C	C	.	.	H	α-helix	trans	-66.7	-40.7	176.9	179.6	-120	0	0	0	112.4	I379 M393 V396 D397 I400 I413 S445 L446 E447 Y451 L452 I453	I379-Y449 HydrophobicContact CD1-CD1 3.72Å; I379-Y449 HydrophobicContact CD1-CE1 4.04Å; I379-Y449 HydrophobicContact CG1-CD1 4.02Å; I379-Y449 HydrophobicContact CG1-CE1 4.06Å; I379-Y449 HydrophobicContact CG2-CE1 4.03Å; M393-Y449 WeakPolarHBondContact CG-OH 3.49Å; V396-Y449 HydrophobicContact CG1-CD2 4.21Å; V396-Y449 HydrophobicContact CG1-CE2 3.91Å; D397-Y449 PolarHBondContact OD1-OH 3.04Å; I400-Y449 HydrophobicContact CD1-CD2 3.75Å; I400-Y449 HydrophobicContact CD1-CE2 3.78Å; I413-Y449 HydrophobicContact CD1-CD1 4.26Å; I413-Y449 HydrophobicContact CD1-CG 4.14Å; S445-Y449 PolarHBondContact O-N 3.08Å; L446-Y449 PolarHBondContact O-N 3.12Å; E447-Y449 VanDerWaalsContact C-N 3.33Å; E447-Y449 PolarHBondContact O-N 2.92Å; Y449-Y451 PolarHBondContact O-N 3.25Å; Y449-L452 PolarHBondContact O-N 2.9Å; Y449-I453 HydrophobicContact CD1-CD1 4.25Å; Y449-I453 HydrophobicContact CE1-CD1 3.79Å; Y449-I453 HydrophobicContact CE2-CD1 4.26Å; Y449-I453 HydrophobicContact CE2-CG1 4.44Å; Y449-I453 PolarHBondContact O-N 2.74Å
450	F	96.8	Very high	95	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-55.4	-51.6	172.9	-179.4	-81.4	0	0	0	111.2	V378 I379 L382 L446 E447 L452 I453 V454 L481 L484 L485	V378-F450 HydrophobicContact CG2-CD2 4.11Å; V378-F450 HydrophobicContact CG2-CE2 4.09Å; I379-F450 HydrophobicContact CD1-CB 4.14Å; I379-F450 HydrophobicContact CD1-CD2 4.24Å; L382-F450 HydrophobicContact CB-CD2 4.49Å; L382-F450 HydrophobicContact CB-CE2 4.08Å; L382-F450 HydrophobicContact CD1-CE2 3.86Å; L382-F450 HydrophobicContact CD1-CZ 3.92Å; L382-F450 HydrophobicContact CD2-CD2 3.72Å; L382-F450 HydrophobicContact CD2-CE2 3.77Å; L382-F450 HydrophobicContact CD2-CG 4.22Å; L382-F450 HydrophobicContact CD2-CZ 4.32Å; L382-F450 HydrophobicContact CG-CD2 4.5Å; L382-F450 HydrophobicContact CG-CE2 4.11Å; L446-F450 WeakPolarHBondContact O-CB 3.44Å; L446-F450 PolarHBondContact O-N 3.39Å; E447-F450 WeakPolarHBondContact O-CB 3.47Å; E447-F450 PolarHBondContact O-N 2.85Å; F450-L452 VanDerWaalsContact C-N 3.3Å; F450-L452 PolarHBondContact O-N 2.94Å; F450-I453 PolarHBondContact O-N 2.92Å; F450-I453 VanDerWaalsContact O-N 3.17Å; F450-V454 HydrophobicContact CD1-CG2 3.81Å; F450-V454 HydrophobicContact CE1-CG2 3.52Å; F450-V454 HydrophobicContact CZ-CG2 4.08Å; F450-V454 WeakPolarHBondContact O-CG2 3.36Å; F450-V454 PolarHBondContact O-N 2.77Å; F450-L481 HydrophobicContact CZ-CD2 4.12Å; F450-L484 HydrophobicContact CE2-CD2 3.79Å; F450-L484 HydrophobicContact CE2-CG 3.97Å; F450-L484 HydrophobicContact CZ-CD2 4.25Å; F450-L484 HydrophobicContact CZ-CG 4.41Å; F450-L485 HydrophobicContact CB-CD1 4.21Å; F450-L485 HydrophobicContact CD1-CD1 3.64Å; F450-L485 HydrophobicContact CD2-CD1 4.21Å; F450-L485 HydrophobicContact CE1-CB 4.36Å; F450-L485 HydrophobicContact CE1-CD1 3.98Å; F450-L485 HydrophobicContact CG-CD1 3.77Å; F450-L485 HydrophobicContact CZ-CB 4.42Å; F450-L485 HydrophobicContact CZ-CD1 4.41Å
451	Y	97.6	Very high	95.3	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-66.1	-28.5	179.8	-85.7	-76.4	0	0	0	113.6	A297 F303 E447 R448 Y449 V454 F455 F471 M475 L485 R873	A297-Y451 HydrophobicContact CB-CD2 3.52Å; A297-Y451 HydrophobicContact CB-CE2 4.2Å; A297-Y451 HydrophobicContact CB-CG 4.19Å; F303-Y451 HydrophobicContact CE2-CD1 4.11Å; F303-Y451 HydrophobicContact CE2-CG 4.39Å; E447-Y451 HydrophobicContact CG-CD2 3.78Å; E447-Y451 HydrophobicContact CG-CE2 3.75Å; E447-Y451 WeakPolarHBondContact O-CD2 3.36Å; E447-Y451 PolarHBondContact O-N 2.94Å; R448-Y451 PolarHBondContact O-N 3.32Å; Y449-Y451 PolarHBondContact O-N 3.25Å; Y451-V454 PolarHBondContact O-N 2.84Å; Y451-F455 WeakPolarHBondContact O-CB 3.4Å; Y451-F455 PolarHBondContact O-N 3.14Å; Y451-F471 HydrophobicContact CD1-CE1 4.28Å; Y451-F471 HydrophobicContact CD1-CZ 4.14Å; Y451-F471 HydrophobicContact CE1-CE1 4.36Å; Y451-F471 HydrophobicContact CE1-CZ 4.48Å; Y451-M475 HydrophobicContact CE1-CE 3.87Å; Y451-L485 HydrophobicContact CE2-CD2 3.61Å; Y451-R873 WeakPolarHBondContact OH-CD 3.27Å; Y451-R873 PolarHBondContact OH-NE 3.13Å
452	L	97.8	Very high	95.5	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-64.6	-41.9	172.4	-75	172.5	0	0	0	112	L342 I345 L346 L349 V396 I400 I409 R448 Y449 F450 N456	L342-L452 HydrophobicContact CD1-CD1 4.25Å; L342-L452 HydrophobicContact CD1-CD2 3.83Å; L342-L452 HydrophobicContact CD1-CG 4.21Å; I345-L452 HydrophobicContact CB-CD2 4.49Å; I345-L452 HydrophobicContact CD1-CD1 4.45Å; I345-L452 HydrophobicContact CG2-CD1 4.03Å; I345-L452 HydrophobicContact CG2-CD2 3.77Å; I345-L452 HydrophobicContact CG2-CG 4.5Å; L346-L452 HydrophobicContact CD2-CD2 3.65Å; L346-L452 HydrophobicContact CG-CD2 4.38Å; L349-L452 HydrophobicContact CD1-CD2 4.49Å; V396-L452 HydrophobicContact CG1-CB 3.74Å; V396-L452 HydrophobicContact CG1-CD1 4.41Å; V396-L452 HydrophobicContact CG2-CB 4.48Å; I400-L452 HydrophobicContact CD1-CD1 4.42Å; I409-L452 HydrophobicContact CD1-CD1 4.4Å; R448-L452 WeakPolarHBondContact O-CG 3.28Å; R448-L452 PolarHBondContact O-N 3.41Å; R448-L452 VanDerWaalsContact O-N 3.09Å; Y449-L452 PolarHBondContact O-N 2.9Å; F450-L452 VanDerWaalsContact C-N 3.3Å; F450-L452 PolarHBondContact O-N 2.94Å; L452-N456 WeakPolarHBondContact O-CB 3.4Å; L452-N456 PolarHBondContact O-N 2.98Å
453	I	98.1	Very high	95.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.3	-45.7	175.2	-60.7	170.3	0	0	0	110.3	I379 L382 L386 L392 M393 V396 Y449 F450 N456 A457	I379-I453 HydrophobicContact CD1-CD1 4.23Å; I379-I453 HydrophobicContact CG2-CD1 4.05Å; L382-I453 HydrophobicContact CD2-CB 3.9Å; L382-I453 HydrophobicContact CD2-CD1 4.27Å; L382-I453 HydrophobicContact CD2-CG2 3.72Å; L382-I453 HydrophobicContact CG-CG2 4.45Å; L386-I453 HydrophobicContact CD1-CG2 3.97Å; L392-I453 HydrophobicContact CB-CG2 4.4Å; M393-I453 HydrophobicContact CB-CD1 4.3Å; M393-I453 HydrophobicContact CG-CD1 3.97Å; V396-I453 HydrophobicContact CB-CG1 4.38Å; V396-I453 HydrophobicContact CG1-CG1 4.38Å; V396-I453 HydrophobicContact CG2-CG1 4.32Å; Y449-I453 HydrophobicContact CD1-CD1 4.25Å; Y449-I453 HydrophobicContact CE1-CD1 3.79Å; Y449-I453 HydrophobicContact CE2-CD1 4.26Å; Y449-I453 HydrophobicContact CE2-CG1 4.44Å; Y449-I453 PolarHBondContact O-N 2.74Å; F450-I453 PolarHBondContact O-N 2.92Å; F450-I453 VanDerWaalsContact O-N 3.17Å; I453-N456 PolarHBondContact O-N 3.02Å; I453-A457 PolarHBondContact O-N 3.17Å
454	V	98.3	Very high	95.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.9	-42.5	178.9	174.1	0	0	0	0	111.8	L382 F450 Y451 N456 A457 Y458 F471 W474 M475 L481	L382-V454 HydrophobicContact CD1-CG2 4.05Å; L382-V454 HydrophobicContact CD2-CG2 4.07Å; F450-V454 HydrophobicContact CD1-CG2 3.81Å; F450-V454 HydrophobicContact CE1-CG2 3.52Å; F450-V454 HydrophobicContact CZ-CG2 4.08Å; F450-V454 WeakPolarHBondContact O-CG2 3.36Å; F450-V454 PolarHBondContact O-N 2.77Å; Y451-V454 PolarHBondContact O-N 2.84Å; V454-N456 VanDerWaalsContact C-N 3.32Å; V454-N456 PolarHBondContact O-N 2.83Å; V454-A457 WeakPolarHBondContact O-CB 3.32Å; V454-A457 PolarHBondContact O-N 3.41Å; V454-Y458 PolarHBondContact O-N 2.8Å; V454-F471 HydrophobicContact CG1-CE2 4.14Å; V454-F471 HydrophobicContact CG1-CZ 3.98Å; V454-W474 HydrophobicContact CG1-CH2 4.19Å; V454-W474 HydrophobicContact CG1-CZ3 3.64Å; V454-M475 HydrophobicContact CG1-SD 3.52Å; V454-M475 VanDerWaalsContact CG1-SD 3.52Å; V454-L481 HydrophobicContact CG1-CD1 3.8Å; V454-L481 HydrophobicContact CG2-CD1 4.5Å; V454-L481 HydrophobicContact CG2-CD2 3.88Å
455	F	98.1	Very high	95.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.9	-38.6	174.9	-176.1	-111.8	0	0	0	111.5	F303 F306 V307 L346 L349 Y451 A457 Y458 L459 F471	F303-F455 HydrophobicContact CD1-CB 4.3Å; F303-F455 HydrophobicContact CD1-CD1 4.47Å; F303-F455 AromaticContact CD1-CD2 3.4Å; F303-F455 HydrophobicContact CD1-CD2 3.4Å; F303-F455 AromaticContact CD1-CE2 3.75Å; F303-F455 HydrophobicContact CD1-CE2 3.75Å; F303-F455 AromaticContact CD1-CG 3.81Å; F303-F455 HydrophobicContact CD1-CG 3.81Å; F303-F455 HydrophobicContact CD1-CZ 4.41Å; F303-F455 HydrophobicContact CE1-CB 3.87Å; F303-F455 HydrophobicContact CE1-CD1 4.3Å; F303-F455 AromaticContact CE1-CD2 3.84Å; F303-F455 HydrophobicContact CE1-CD2 3.84Å; F303-F455 HydrophobicContact CE1-CE2 4.48Å; F303-F455 AromaticContact CE1-CG 3.74Å; F303-F455 HydrophobicContact CE1-CG 3.74Å; F303-F455 HydrophobicContact CG-CD2 4.23Å; F306-F455 HydrophobicContact CD1-CE1 4.36Å; F306-F455 AromaticContact CD1-CZ 3.86Å; F306-F455 HydrophobicContact CD1-CZ 3.86Å; F306-F455 HydrophobicContact CE1-CE1 4.23Å; F306-F455 HydrophobicContact CE1-CZ 4.09Å; V307-F455 HydrophobicContact CG2-CE2 3.91Å; V307-F455 HydrophobicContact CG2-CZ 4.32Å; L346-F455 HydrophobicContact CD2-CD1 3.58Å; L346-F455 HydrophobicContact CD2-CE1 3.87Å; L346-F455 HydrophobicContact CD2-CG 4.32Å; L349-F455 HydrophobicContact CD1-CD1 4.47Å; Y451-F455 WeakPolarHBondContact O-CB 3.4Å; Y451-F455 PolarHBondContact O-N 3.14Å; F455-A457 VanDerWaalsContact C-N 3.34Å; F455-A457 PolarHBondContact O-N 3.11Å; F455-Y458 HydrophobicContact CD2-CD1 4.08Å; F455-Y458 AromaticContact CE2-CD1 3.96Å; F455-Y458 HydrophobicContact CE2-CD1 3.96Å; F455-Y458 HydrophobicContact CE2-CE1 4.32Å; F455-Y458 WeakPolarHBondContact O-CB 3.42Å; F455-Y458 PolarHBondContact O-N 3.27Å; F455-L459 HydrophobicContact CD1-CD1 4.01Å; F455-L459 HydrophobicContact CD1-CG 4.2Å; F455-L459 HydrophobicContact CE1-CD1 3.65Å; F455-L459 HydrophobicContact CE1-CD2 4.09Å; F455-L459 HydrophobicContact CE1-CG 3.88Å; F455-L459 HydrophobicContact CE2-CD2 4.34Å; F455-L459 HydrophobicContact CZ-CD1 4.25Å; F455-L459 HydrophobicContact CZ-CD2 3.81Å; F455-L459 HydrophobicContact CZ-CG 4.04Å; F455-L459 WeakPolarHBondContact O-CG 3.41Å; F455-L459 PolarHBondContact O-N 2.74Å; F455-F471 HydrophobicContact CB-CE2 4.27Å; F455-F471 AromaticContact CD2-CD2 3.89Å; F455-F471 HydrophobicContact CD2-CD2 3.89Å; F455-F471 AromaticContact CD2-CE2 3.99Å; F455-F471 HydrophobicContact CD2-CE2 3.99Å
456	N	97.8	Very high	95.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-64	-39.9	173.3	-167.1	34.8	0	0	0	111.7	L349 L392 E395 V396 L452 I453 V454 Y458 L459 H460	L349-N456 HydrophobicContact CD1-CB 4.29Å; L349-N456 HydrophobicContact CD2-CB 4.42Å; L392-N456 PolarHBondContact O-ND2 3.23Å; L392-N456 VanDerWaalsContact O-ND2 3.08Å; E395-N456 PolarHBondContact OE2-ND2 3.45Å; V396-N456 HydrophobicContact CG2-CB 3.8Å; L452-N456 WeakPolarHBondContact O-CB 3.4Å; L452-N456 PolarHBondContact O-N 2.98Å; I453-N456 PolarHBondContact O-N 3.02Å; V454-N456 VanDerWaalsContact C-N 3.32Å; V454-N456 PolarHBondContact O-N 2.83Å; N456-Y458 PolarHBondContact O-N 2.85Å; N456-L459 PolarHBondContact O-N 3.46Å; N456-H460 PolarHBondContact O-CD2 3.45Å; N456-H460 VanDerWaalsContact O-CD2 3.29Å; N456-H460 PolarHBondContact O-N 3.35Å
457	A	98	Very high	95.3	Very high	10 Å²	10	21.8 Å²	21.8	8%	0.083	12%	0.12	C	C	.	.	H	α-helix	trans	-58.7	-46.8	172.9	0	0	0	0	0	111.6	L386 L392 I453 V454 F455 L459 H460 E461 W474	L386-A457 HydrophobicContact CD1-CB 4.18Å; L386-A457 HydrophobicContact CD2-CB 4.14Å; L392-A457 HydrophobicContact CD1-CB 3.7Å; I453-A457 PolarHBondContact O-N 3.17Å; V454-A457 WeakPolarHBondContact O-CB 3.32Å; V454-A457 PolarHBondContact O-N 3.41Å; F455-A457 VanDerWaalsContact C-N 3.34Å; F455-A457 PolarHBondContact O-N 3.11Å; A457-L459 PolarHBondContact O-N 2.93Å; A457-H460 PolarHBondContact O-N 3.01Å; A457-E461 PolarHBondContact O-N 3.48Å; A457-W474 HydrophobicContact CB-CH2 4.23Å
458	Y	97.8	Very high	95.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.7	-45.1	173.6	168.4	-94.3	0	0	0	112	V307 V454 F455 N456 H460 E461 Q462 F467 S469 F471 W474	V307-Y458 HydrophobicContact CG1-CE1 4.47Å; V307-Y458 HydrophobicContact CG2-CE1 3.66Å; V454-Y458 PolarHBondContact O-N 2.8Å; F455-Y458 HydrophobicContact CD2-CD1 4.08Å; F455-Y458 AromaticContact CE2-CD1 3.96Å; F455-Y458 HydrophobicContact CE2-CD1 3.96Å; F455-Y458 HydrophobicContact CE2-CE1 4.32Å; F455-Y458 WeakPolarHBondContact O-CB 3.42Å; F455-Y458 PolarHBondContact O-N 3.27Å; N456-Y458 PolarHBondContact O-N 2.85Å; Y458-H460 VanDerWaalsContact C-N 3.34Å; Y458-H460 PolarHBondContact O-N 2.91Å; Y458-E461 PolarHBondContact O-N 3.15Å; Y458-Q462 HydrophobicContact CD2-CB 4.12Å; Y458-Q462 HydrophobicContact CD2-CG 3.66Å; Y458-Q462 HydrophobicContact CE1-CB 4.17Å; Y458-Q462 HydrophobicContact CE2-CB 3.73Å; Y458-Q462 HydrophobicContact CE2-CG 3.41Å; Y458-Q462 VanDerWaalsContact CE2-CG 3.41Å; Y458-Q462 HydrophobicContact CG-CG 4.42Å; Y458-Q462 WeakPolarHBondContact O-CB 3.4Å; Y458-Q462 PolarHBondContact O-N 3.25Å; Y458-F467 AromaticContact CE1-CD1 3.79Å; Y458-F467 HydrophobicContact CE1-CD1 3.79Å; Y458-F467 AromaticContact CE1-CE1 3.91Å; Y458-F467 HydrophobicContact CE1-CE1 3.91Å; Y458-F467 AromaticContact CZ-CD1 3.95Å; Y458-F467 WeakPolarHBondContact OH-CD1 3.37Å; Y458-S469 PolarHBondContact OH-O 2.59Å; Y458-F471 AromaticContact CD1-CD2 3.91Å; Y458-F471 HydrophobicContact CD1-CD2 3.91Å; Y458-F471 AromaticContact CD2-CD2 3.86Å; Y458-F471 HydrophobicContact CD2-CD2 3.86Å; Y458-F471 HydrophobicContact CE1-CB 4.48Å; Y458-F471 HydrophobicContact CE1-CD2 4.5Å; Y458-F471 HydrophobicContact CE2-CB 4.25Å; Y458-F471 HydrophobicContact CE2-CD2 4.41Å; Y458-F471 AromaticContact CG-CD2 3.58Å; Y458-F471 HydrophobicContact CG-CD2 3.58Å; Y458-F471 HydrophobicContact CG-CE2 4.23Å; Y458-W474 HydrophobicContact CD2-CB 3.71Å; Y458-W474 AromaticContact CD2-CD2 3.75Å; Y458-W474 HydrophobicContact CD2-CD2 3.75Å; Y458-W474 HydrophobicContact CD2-CE3 4.11Å; Y458-W474 AromaticContact CD2-CG 3.57Å; Y458-W474 HydrophobicContact CD2-CG 3.57Å; Y458-W474 HydrophobicContact CE2-CB 3.84Å; Y458-W474 HydrophobicContact CE2-CG 4.13Å; Y458-W474 HydrophobicContact CG-CD2 4.5Å
459	L	95.7	Very high	95.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.8	-42.1	177.7	-72.7	-179.2	0	0	0	111.8	L349 V350 R353 F455 N456 A457 E461 Y463 F467	L349-L459 HydrophobicContact CB-CD1 3.86Å; V350-L459 HydrophobicContact CG2-CD1 4.14Å; V350-L459 HydrophobicContact CG2-CD2 4.4Å; R353-L459 HydrophobicContact CG-CB 4.29Å; F455-L459 HydrophobicContact CD1-CD1 4.01Å; F455-L459 HydrophobicContact CD1-CG 4.2Å; F455-L459 HydrophobicContact CE1-CD1 3.65Å; F455-L459 HydrophobicContact CE1-CD2 4.09Å; F455-L459 HydrophobicContact CE1-CG 3.88Å; F455-L459 HydrophobicContact CE2-CD2 4.34Å; F455-L459 HydrophobicContact CZ-CD1 4.25Å; F455-L459 HydrophobicContact CZ-CD2 3.81Å; F455-L459 HydrophobicContact CZ-CG 4.04Å; F455-L459 WeakPolarHBondContact O-CG 3.41Å; F455-L459 PolarHBondContact O-N 2.74Å; N456-L459 PolarHBondContact O-N 3.46Å; A457-L459 PolarHBondContact O-N 2.93Å; L459-E461 VanDerWaalsContact C-N 3.27Å; L459-E461 PolarHBondContact O-N 3.4Å; L459-Y463 WeakPolarHBondContact O-CA 3.3Å; L459-Y463 WeakPolarHBondContact O-CB 3.21Å; L459-Y463 PolarHBondContact O-N 2.59Å; L459-F467 HydrophobicContact CD2-CE1 3.85Å; L459-F467 HydrophobicContact CD2-CZ 4.16Å
460	H	94.5	Very high	95	Very high	56 Å²	56	27.9 Å²	27.9	26%	0.259	16%	0.162	S	C	.	.	H	α-helix	trans	-59.8	-38.4	176.5	-90.1	-94.3	0	0	0	112.7	R353 L392 E395 N456 A457 Y458 P464	R353-H460 PolarHBondContact NH1-CE1 2.84Å; R353-H460 PolarHBondContact NH2-CE1 2.93Å; R353-H460 VanDerWaalsContact NH2-CE1 3.25Å; R353-H460 PolarHBondContact NH2-NE2 3.3Å; L392-H460 HydrophobicContact CD2-CB 4.48Å; L392-H460 WeakPolarHBondContact CD2-CD2 3.42Å; L392-H460 WeakPolarHBondContact CD2-NE2 3.33Å; E395-H460 IonicContact OE1-CE1 3.92Å; E395-H460 IonicContact OE1-NE2 2.89Å; E395-H460 IonicContact OE2-CD2 3.88Å; E395-H460 IonicContact OE2-CE1 2.69Å; E395-H460 IonicContact OE2-NE2 2.71Å; E395-H460 PolarHBondContact OE2-NE2 2.93Å; N456-H460 PolarHBondContact O-CD2 3.45Å; N456-H460 VanDerWaalsContact O-CD2 3.29Å; N456-H460 PolarHBondContact O-N 3.35Å; A457-H460 PolarHBondContact O-N 3.01Å; Y458-H460 VanDerWaalsContact C-N 3.34Å; Y458-H460 PolarHBondContact O-N 2.91Å; H460-P464 VanDerWaalsContact O-CD 3.29Å; H460-P464 WeakPolarHBondContact O-CD 3.45Å; H460-P464 WeakPolarHBondContact O-CG 3.42Å
461	E	94.8	Very high	95.1	Very high	83 Å²	83	27.9 Å²	27.9	39%	0.388	16%	0.162	S	C	.	.	H	α-helix	trans	-82	-46.4	-178.6	-168.9	-171.6	126.7	0	0	112.7	A457 Y458 L459 L465 W474 H478	A457-E461 PolarHBondContact O-N 3.48Å; Y458-E461 PolarHBondContact O-N 3.15Å; L459-E461 VanDerWaalsContact C-N 3.27Å; L459-E461 PolarHBondContact O-N 3.4Å; E461-L465 WeakPolarHBondContact O-CD1 3.5Å; E461-L465 WeakPolarHBondContact O-CG 3.48Å; E461-W474 PolarHBondContact OE1-NE1 3.27Å; E461-W474 VanDerWaalsContact OE1-NE1 3.16Å; E461-W474 PolarHBondContact OE2-NE1 3.38Å; E461-H478 IonicContact OE2-CE1 3.74Å
462	Q	93.9	Very high	95	Very high	11 Å²	11	28.9 Å²	28.9	5%	0.051	17%	0.169	C	C	.	.	H	α-helix	trans	-97.8	-24.1	-166.1	-64.2	-65.5	-41.3	0	0	113.1	Y458 L465 A466 F467 S469	Y458-Q462 HydrophobicContact CD2-CB 4.12Å; Y458-Q462 HydrophobicContact CD2-CG 3.66Å; Y458-Q462 HydrophobicContact CE1-CB 4.17Å; Y458-Q462 HydrophobicContact CE2-CB 3.73Å; Y458-Q462 HydrophobicContact CE2-CG 3.41Å; Y458-Q462 VanDerWaalsContact CE2-CG 3.41Å; Y458-Q462 HydrophobicContact CG-CG 4.42Å; Y458-Q462 WeakPolarHBondContact O-CB 3.4Å; Y458-Q462 PolarHBondContact O-N 3.25Å; Q462-L465 CarbonylContact O-C 3.59Å; Q462-L465 PolarHBondContact O-N 3.47Å; Q462-L465 VanDerWaalsContact O-N 3.09Å; Q462-A466 PolarHBondContact O-N 3.42Å; Q462-F467 HydrophobicContact CB-CD1 4.05Å; Q462-F467 PolarHBondContact O-N 3Å; Q462-S469 VanDerWaalsContact OE1-N 3.16Å
463	Y	92.1	Very high	94.8	Very high	15 Å²	15	33.1 Å²	33.1	6%	0.059	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-59.3	-46.9	174.5	-169.6	-89.2	0	0	0	111.7	L316 L318 R353 L354 L459 L465 A466 F467	L316-Y463 WeakPolarHBondContact O-CE2 3.48Å; L316-Y463 PolarHBondContact O-OH 2.8Å; L318-Y463 WeakPolarHBondContact CD1-O 3.33Å; L318-Y463 HydrophobicContact CD2-CD1 4.12Å; L318-Y463 HydrophobicContact CD2-CE1 4.06Å; L318-Y463 HydrophobicContact CG-CD1 4.45Å; L318-Y463 HydrophobicContact CG-CE1 4.37Å; L318-Y463 WeakPolarHBondContact CG-O 3.49Å; R353-Y463 HydrophobicContact CB-CD1 4.03Å; R353-Y463 HydrophobicContact CB-CD2 4.26Å; R353-Y463 HydrophobicContact CB-CE1 4.16Å; R353-Y463 HydrophobicContact CB-CE2 4.42Å; R353-Y463 HydrophobicContact CB-CG 4.1Å; L354-Y463 WeakPolarHBondContact CD1-OH 3.44Å; L459-Y463 WeakPolarHBondContact O-CA 3.3Å; L459-Y463 WeakPolarHBondContact O-CB 3.21Å; L459-Y463 PolarHBondContact O-N 2.59Å; Y463-L465 PolarHBondContact O-N 2.7Å; Y463-A466 PolarHBondContact O-N 2.91Å; Y463-A466 VanDerWaalsContact O-N 3.14Å; Y463-F467 HydrophobicContact CD2-CE1 4.3Å; Y463-F467 HydrophobicContact CD2-CE2 4.06Å; Y463-F467 AromaticContact CD2-CZ 3.55Å; Y463-F467 HydrophobicContact CD2-CZ 3.55Å; Y463-F467 HydrophobicContact CE2-CE2 4.47Å; Y463-F467 HydrophobicContact CE2-CZ 4.27Å; Y463-F467 HydrophobicContact CG-CZ 4.42Å
464	P	90.4	Very high	94.8	Very high	79 Å²	79	33.5 Å²	33.5	51%	0.513	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-65.4	-14.3	174.9	-20.8	35.1	0	0	0	115	L318 H460	L318-P464 VanDerWaalsContact CD1-C 3.47Å; L318-P464 WeakPolarHBondContact CD1-O 3.28Å; H460-P464 VanDerWaalsContact O-CD 3.29Å; H460-P464 WeakPolarHBondContact O-CD 3.45Å; H460-P464 WeakPolarHBondContact O-CG 3.42Å
465	L	91.9	Very high	94.7	Very high	93 Å²	93	33.5 Å²	33.5	49%	0.487	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-102.8	12.1	177.7	-57.3	178.2	0	0	0	112.4	E461 Q462 Y463 F467 V468	E461-L465 WeakPolarHBondContact O-CD1 3.5Å; E461-L465 WeakPolarHBondContact O-CG 3.48Å; Q462-L465 CarbonylContact O-C 3.59Å; Q462-L465 PolarHBondContact O-N 3.47Å; Q462-L465 VanDerWaalsContact O-N 3.09Å; Y463-L465 PolarHBondContact O-N 2.7Å; L465-F467 PolarHBondContact O-N 3.31Å; L465-V468 WeakPolarHBondContact O-CG2 3.45Å; L465-V468 PolarHBondContact O-N 3.14Å
466	A	90.3	Very high	94.6	Very high	54 Å²	54	33.6 Å²	33.6	45%	0.446	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	33.4	-176.3	0	0	0	0	0	113.5	L318 Q462 Y463	L318-A466 HydrophobicContact CD1-CB 3.92Å; L318-A466 VanDerWaalsContact CD1-N 3.32Å; Q462-A466 PolarHBondContact O-N 3.42Å; Y463-A466 PolarHBondContact O-N 2.91Å; Y463-A466 VanDerWaalsContact O-N 3.14Å
467	F	92.2	Very high	94.4	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.022	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	48.7	179.8	-51	-72.4	0	0	0	113.4	V307 L310 R311 Y458 L459 Q462 Y463 L465 S469	V307-F467 HydrophobicContact CG1-CB 3.72Å; V307-F467 HydrophobicContact CG1-CD1 3.61Å; V307-F467 HydrophobicContact CG1-CD2 4.07Å; V307-F467 HydrophobicContact CG1-CE1 4.12Å; V307-F467 HydrophobicContact CG1-CG 3.55Å; V307-F467 HydrophobicContact CG2-CE1 4.47Å; L310-F467 HydrophobicContact CB-CE2 3.98Å; L310-F467 HydrophobicContact CB-CZ 4.35Å; L310-F467 HydrophobicContact CD1-CE2 4.42Å; L310-F467 HydrophobicContact CD1-CZ 3.95Å; R311-F467 HydrophobicContact CB-CD2 4.48Å; R311-F467 PolarHBondContact NH2-O 3.18Å; Y458-F467 AromaticContact CE1-CD1 3.79Å; Y458-F467 HydrophobicContact CE1-CD1 3.79Å; Y458-F467 AromaticContact CE1-CE1 3.91Å; Y458-F467 HydrophobicContact CE1-CE1 3.91Å; Y458-F467 AromaticContact CZ-CD1 3.95Å; Y458-F467 WeakPolarHBondContact OH-CD1 3.37Å; L459-F467 HydrophobicContact CD2-CE1 3.85Å; L459-F467 HydrophobicContact CD2-CZ 4.16Å; Q462-F467 HydrophobicContact CB-CD1 4.05Å; Q462-F467 PolarHBondContact O-N 3Å; Y463-F467 HydrophobicContact CD2-CE1 4.3Å; Y463-F467 HydrophobicContact CD2-CE2 4.06Å; Y463-F467 AromaticContact CD2-CZ 3.55Å; Y463-F467 HydrophobicContact CD2-CZ 3.55Å; Y463-F467 HydrophobicContact CE2-CE2 4.47Å; Y463-F467 HydrophobicContact CE2-CZ 4.27Å; Y463-F467 HydrophobicContact CG-CZ 4.42Å; L465-F467 PolarHBondContact O-N 3.31Å; F467-S469 PolarHBondContact O-N 3.34Å
468	V	92.1	Very high	94.3	Very high	124 Å²	124	37.1 Å²	37.1	75%	0.752	21%	0.209	S	C	*	.	S	Bend	trans	-55.5	-38.6	175.5	163.9	0	0	0	0	111.8	L465	L465-V468 WeakPolarHBondContact O-CG2 3.45Å; L465-V468 PolarHBondContact O-N 3.14Å
469	S	93.2	Very high	94.2	Very high	22 Å²	22	37.2 Å²	37.2	15%	0.154	21%	0.21	C	C	.	.	S	Bend	trans	-101.7	137.4	167.7	-175.7	0	0	0	0	109.6	Y458 Q462 F467 Q473 W474	Y458-S469 PolarHBondContact OH-O 2.59Å; Q462-S469 VanDerWaalsContact OE1-N 3.16Å; F467-S469 PolarHBondContact O-N 3.34Å; S469-Q473 WeakPolarHBondContact OG-CB 3.48Å; S469-W474 PolarHBondContact OG-N 3.03Å
470	N	94.9	Very high	94.1	Very high	31 Å²	31	39.5 Å²	39.5	17%	0.166	22%	0.219	C	C	.	.			trans	-72.5	173	166.2	73.7	7.3	0	0	0	110.3	D304 S472 Q473 W474	D304-N470 VanDerWaalsContact OD1-CB 3.25Å; D304-N470 WeakPolarHBondContact OD1-CB 3.41Å; D304-N470 PolarHBondContact OD2-ND2 3.09Å; D304-N470 VanDerWaalsContact OD2-ND2 3.11Å; N470-S472 PolarHBondContact ND2-OG 3.39Å; N470-S472 PolarHBondContact OD1-OG 3.14Å; N470-S472 VanDerWaalsContact OD1-OG 3.14Å; N470-Q473 WeakPolarHBondContact OD1-CB 3.32Å; N470-Q473 VanDerWaalsContact OD1-CD 3.29Å; N470-Q473 WeakPolarHBondContact OD1-CG 3.45Å; N470-Q473 PolarHBondContact OD1-N 3.02Å; N470-Q473 PolarHBondContact OD1-OE1 3.27Å; N470-W474 WeakPolarHBondContact O-CB 3.32Å; N470-W474 PolarHBondContact O-N 2.86Å; N470-W474 VanDerWaalsContact O-N 3.13Å
471	F	97.3	Very high	94.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.6	-42.8	-176.5	-176.6	-101.5	0	0	0	111.8	E300 F303 D304 Y451 V454 F455 Y458 Q473 W474 M475	E300-F471 HydrophobicContact CB-CD1 4.1Å; E300-F471 HydrophobicContact CB-CE1 4.43Å; E300-F471 HydrophobicContact CG-CD1 4.12Å; E300-F471 HydrophobicContact CG-CE1 3.98Å; F303-F471 HydrophobicContact CB-CB 3.85Å; F303-F471 HydrophobicContact CB-CD1 3.43Å; F303-F471 VanDerWaalsContact CB-CD1 3.43Å; F303-F471 HydrophobicContact CB-CD2 4.47Å; F303-F471 HydrophobicContact CB-CE1 4.07Å; F303-F471 HydrophobicContact CB-CG 3.66Å; F303-F471 AromaticContact CD2-CD1 3.81Å; F303-F471 HydrophobicContact CD2-CD1 3.81Å; F303-F471 AromaticContact CD2-CE1 3.56Å; F303-F471 HydrophobicContact CD2-CE1 3.56Å; F303-F471 HydrophobicContact CD2-CZ 4.26Å; F303-F471 HydrophobicContact CE2-CE1 4.16Å; F303-F471 AromaticContact CG-CD1 3.79Å; F303-F471 HydrophobicContact CG-CD1 3.79Å; F303-F471 AromaticContact CG-CE1 3.9Å; F303-F471 HydrophobicContact CG-CE1 3.9Å; F303-F471 HydrophobicContact CG-CG 4.23Å; F303-F471 HydrophobicContact CG-CZ 4.45Å; D304-F471 WeakPolarHBondContact OD1-CA 3.46Å; D304-F471 WeakPolarHBondContact OD1-CB 3.41Å; D304-F471 PolarHBondContact OD1-N 3.06Å; Y451-F471 HydrophobicContact CD1-CE1 4.28Å; Y451-F471 HydrophobicContact CD1-CZ 4.14Å; Y451-F471 HydrophobicContact CE1-CE1 4.36Å; Y451-F471 HydrophobicContact CE1-CZ 4.48Å; V454-F471 HydrophobicContact CG1-CE2 4.14Å; V454-F471 HydrophobicContact CG1-CZ 3.98Å; F455-F471 HydrophobicContact CB-CE2 4.27Å; F455-F471 AromaticContact CD2-CD2 3.89Å; F455-F471 HydrophobicContact CD2-CD2 3.89Å; F455-F471 AromaticContact CD2-CE2 3.99Å; F455-F471 HydrophobicContact CD2-CE2 3.99Å; Y458-F471 AromaticContact CD1-CD2 3.91Å; Y458-F471 HydrophobicContact CD1-CD2 3.91Å; Y458-F471 AromaticContact CD2-CD2 3.86Å; Y458-F471 HydrophobicContact CD2-CD2 3.86Å; Y458-F471 HydrophobicContact CE1-CB 4.48Å; Y458-F471 HydrophobicContact CE1-CD2 4.5Å; Y458-F471 HydrophobicContact CE2-CB 4.25Å; Y458-F471 HydrophobicContact CE2-CD2 4.41Å; Y458-F471 AromaticContact CG-CD2 3.58Å; Y458-F471 HydrophobicContact CG-CD2 3.58Å; Y458-F471 HydrophobicContact CG-CE2 4.23Å; F471-Q473 PolarHBondContact O-N 3.3Å; F471-W474 HydrophobicContact CE2-CE3 4.4Å; F471-W474 HydrophobicContact CE2-CZ3 4.48Å; F471-W474 PolarHBondContact O-N 3.12Å; F471-M475 HydrophobicContact CD1-CG 3.95Å; F471-M475 HydrophobicContact CE1-CG 3.57Å; F471-M475 HydrophobicContact CE1-SD 4.13Å; F471-M475 HydrophobicContact CE2-CG 4.25Å; F471-M475 HydrophobicContact CE2-SD 4.37Å; F471-M475 HydrophobicContact CG-CG 4.47Å; F471-M475 HydrophobicContact CZ-CG 3.74Å; F471-M475 HydrophobicContact CZ-SD 3.77Å; F471-M475 WeakPolarHBondContact O-CB 3.29Å; F471-M475 WeakPolarHBondContact O-CG 3.34Å; F471-M475 PolarHBondContact O-N 2.92Å
472	S	95.4	Very high	94.2	Very high	22 Å²	22	33.1 Å²	33.1	15%	0.154	19%	0.189	C	C	.	.	H	α-helix	trans	-62.3	-44.4	179.9	62.5	0	0	0	0	113	D304 N470 W474 M475 C476	D304-S472 PolarHBondContact OD1-N 3Å; D304-S472 WeakPolarHBondContact OD2-CB 3.29Å; D304-S472 PolarHBondContact OD2-OG 2.9Å; N470-S472 PolarHBondContact ND2-OG 3.39Å; N470-S472 PolarHBondContact OD1-OG 3.14Å; N470-S472 VanDerWaalsContact OD1-OG 3.14Å; S472-W474 VanDerWaalsContact C-N 3.34Å; S472-M475 WeakPolarHBondContact O-CB 3.49Å; S472-M475 PolarHBondContact O-N 3.18Å; S472-C476 PolarHBondContact O-N 2.86Å
473	Q	94.7	Very high	94	Very high	90 Å²	90	34 Å²	34	42%	0.421	19%	0.192	S	C	.	.	H	α-helix	trans	-64.5	-40	175.1	-71	166.6	-12.6	0	0	111.5	S469 N470 F471 C476 C477	S469-Q473 WeakPolarHBondContact OG-CB 3.48Å; N470-Q473 WeakPolarHBondContact OD1-CB 3.32Å; N470-Q473 VanDerWaalsContact OD1-CD 3.29Å; N470-Q473 WeakPolarHBondContact OD1-CG 3.45Å; N470-Q473 PolarHBondContact OD1-N 3.02Å; N470-Q473 PolarHBondContact OD1-OE1 3.27Å; F471-Q473 PolarHBondContact O-N 3.3Å; Q473-C476 PolarHBondContact O-N 2.94Å; Q473-C477 PolarHBondContact O-N 3.48Å; Q473-C477 PolarHBondContact O-SG 3.44Å; Q473-C477 VanDerWaalsContact O-SG 3.37Å
474	W	96.9	Very high	94	Very high	8 Å²	8	34.6 Å²	34.6	3%	0.03	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-40.3	176.9	-179.1	92.4	0	0	0	111.4	V454 A457 Y458 E461 S469 N470 F471 S472 C477 H478 L481	V454-W474 HydrophobicContact CG1-CH2 4.19Å; V454-W474 HydrophobicContact CG1-CZ3 3.64Å; A457-W474 HydrophobicContact CB-CH2 4.23Å; Y458-W474 HydrophobicContact CD2-CB 3.71Å; Y458-W474 AromaticContact CD2-CD2 3.75Å; Y458-W474 HydrophobicContact CD2-CD2 3.75Å; Y458-W474 HydrophobicContact CD2-CE3 4.11Å; Y458-W474 AromaticContact CD2-CG 3.57Å; Y458-W474 HydrophobicContact CD2-CG 3.57Å; Y458-W474 HydrophobicContact CE2-CB 3.84Å; Y458-W474 HydrophobicContact CE2-CG 4.13Å; Y458-W474 HydrophobicContact CG-CD2 4.5Å; E461-W474 PolarHBondContact OE1-NE1 3.27Å; E461-W474 VanDerWaalsContact OE1-NE1 3.16Å; E461-W474 PolarHBondContact OE2-NE1 3.38Å; S469-W474 PolarHBondContact OG-N 3.03Å; N470-W474 WeakPolarHBondContact O-CB 3.32Å; N470-W474 PolarHBondContact O-N 2.86Å; N470-W474 VanDerWaalsContact O-N 3.13Å; F471-W474 HydrophobicContact CE2-CE3 4.4Å; F471-W474 HydrophobicContact CE2-CZ3 4.48Å; F471-W474 PolarHBondContact O-N 3.12Å; S472-W474 VanDerWaalsContact C-N 3.34Å; W474-C477 WeakPolarHBondContact O-CB 3.46Å; W474-C477 PolarHBondContact O-N 3.26Å; W474-H478 AromaticContact CD1-CE1 3.62Å; W474-H478 AromaticContact CD1-ND1 3.78Å; W474-H478 AromaticContact CD2-ND1 3.55Å; W474-H478 AromaticContact CE2-CE1 3.4Å; W474-H478 AromaticContact CE2-ND1 3.34Å; W474-H478 VanDerWaalsContact CE2-ND1 3.34Å; W474-H478 AromaticContact CG-ND1 3.84Å; W474-H478 AromaticContact CZ2-CE1 3.84Å; W474-H478 AromaticContact CZ2-ND1 3.77Å; W474-H478 AromaticContact NE1-CE1 3.13Å; W474-H478 PolarHBondContact NE1-CE1 3.16Å; W474-H478 AromaticContact NE1-ND1 3.49Å; W474-H478 PolarHBondContact NE1-ND1 3.35Å; W474-H478 PolarHBondContact O-N 3.23Å; W474-H478 PolarHBondContact O-ND1 3.25Å; W474-L481 HydrophobicContact CH2-CD1 3.95Å; W474-L481 HydrophobicContact CZ3-CD1 3.68Å
475	M	96.9	Very high	94.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.8	-41.2	173.1	-76.1	-68.5	-64.9	0	0	112.1	E300 Y451 V454 F471 S472 C477 H478 A479 L481 Y482	E300-M475 HydrophobicContact CG-CG 4.28Å; Y451-M475 HydrophobicContact CE1-CE 3.87Å; V454-M475 HydrophobicContact CG1-SD 3.52Å; V454-M475 VanDerWaalsContact CG1-SD 3.52Å; F471-M475 HydrophobicContact CD1-CG 3.95Å; F471-M475 HydrophobicContact CE1-CG 3.57Å; F471-M475 HydrophobicContact CE1-SD 4.13Å; F471-M475 HydrophobicContact CE2-CG 4.25Å; F471-M475 HydrophobicContact CE2-SD 4.37Å; F471-M475 HydrophobicContact CG-CG 4.47Å; F471-M475 HydrophobicContact CZ-CG 3.74Å; F471-M475 HydrophobicContact CZ-SD 3.77Å; F471-M475 WeakPolarHBondContact O-CB 3.29Å; F471-M475 WeakPolarHBondContact O-CG 3.34Å; F471-M475 PolarHBondContact O-N 2.92Å; S472-M475 WeakPolarHBondContact O-CB 3.49Å; S472-M475 PolarHBondContact O-N 3.18Å; M475-C477 VanDerWaalsContact C-N 3.33Å; M475-C477 PolarHBondContact O-N 3.25Å; M475-H478 CarbonylContact O-C 3.19Å; M475-H478 WeakPolarHBondContact O-CA 3.42Å; M475-H478 PolarHBondContact O-N 3.01Å; M475-H478 VanDerWaalsContact O-N 3.09Å; M475-A479 PolarHBondContact O-N 3.48Å; M475-A479 VanDerWaalsContact O-N 3.11Å; M475-L481 HydrophobicContact CE-CB 3.99Å; M475-L481 HydrophobicContact CE-CD1 4.25Å; M475-L481 HydrophobicContact SD-CB 4.48Å; M475-L481 HydrophobicContact SD-CD1 3.64Å; M475-Y482 HydrophobicContact CB-CE2 4.11Å; M475-Y482 WeakPolarHBondContact CB-OH 3.17Å; M475-Y482 HydrophobicContact CE-CD1 4.11Å; M475-Y482 HydrophobicContact CE-CE1 3.61Å; M475-Y482 HydrophobicContact CE-CE2 4.27Å
476	C	95.8	Very high	94	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-38.1	173.2	-79.3	0	0	0	0	112.2	S472 Q473 H478 A479 Y850	S472-C476 PolarHBondContact O-N 2.86Å; Q473-C476 PolarHBondContact O-N 2.94Å; C476-H478 PolarHBondContact O-N 3.38Å; C476-A479 PolarHBondContact O-N 2.68Å; C476-Y850 VanDerWaalsContact O-CB 3.23Å; C476-Y850 WeakPolarHBondContact O-CB 3.37Å; C476-Y850 WeakPolarHBondContact O-CD2 3.1Å
477	C	94.8	Very high	93.7	Very high	42 Å²	42	27.7 Å²	27.7	28%	0.284	14%	0.144	S	C	.	.	H	α-helix	trans	-66.3	-24.8	173.3	-68.5	0	0	0	0	112.9	Q473 W474 M475	Q473-C477 PolarHBondContact O-N 3.48Å; Q473-C477 PolarHBondContact O-SG 3.44Å; Q473-C477 VanDerWaalsContact O-SG 3.37Å; W474-C477 WeakPolarHBondContact O-CB 3.46Å; W474-C477 PolarHBondContact O-N 3.26Å; M475-C477 VanDerWaalsContact C-N 3.33Å; M475-C477 PolarHBondContact O-N 3.25Å
478	H	95.4	Very high	93.5	Very high	42 Å²	42	27.9 Å²	27.9	19%	0.194	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	43	178.4	-60.5	89.8	0	0	0	111.5	E461 W474 M475 C476 W480 L481	E461-H478 IonicContact OE2-CE1 3.74Å; W474-H478 AromaticContact CD1-CE1 3.62Å; W474-H478 AromaticContact CD1-ND1 3.78Å; W474-H478 AromaticContact CD2-ND1 3.55Å; W474-H478 AromaticContact CE2-CE1 3.4Å; W474-H478 AromaticContact CE2-ND1 3.34Å; W474-H478 VanDerWaalsContact CE2-ND1 3.34Å; W474-H478 AromaticContact CG-ND1 3.84Å; W474-H478 AromaticContact CZ2-CE1 3.84Å; W474-H478 AromaticContact CZ2-ND1 3.77Å; W474-H478 AromaticContact NE1-CE1 3.13Å; W474-H478 PolarHBondContact NE1-CE1 3.16Å; W474-H478 AromaticContact NE1-ND1 3.49Å; W474-H478 PolarHBondContact NE1-ND1 3.35Å; W474-H478 PolarHBondContact O-N 3.23Å; W474-H478 PolarHBondContact O-ND1 3.25Å; M475-H478 CarbonylContact O-C 3.19Å; M475-H478 WeakPolarHBondContact O-CA 3.42Å; M475-H478 PolarHBondContact O-N 3.01Å; M475-H478 VanDerWaalsContact O-N 3.09Å; C476-H478 PolarHBondContact O-N 3.38Å; H478-W480 PolarHBondContact O-N 3.07Å; H478-L481 HydrophobicContact CB-CD1 3.67Å; H478-L481 HydrophobicContact CB-CG 4.22Å; H478-L481 WeakPolarHBondContact O-CB 3.47Å; H478-L481 WeakPolarHBondContact O-CG 3.46Å; H478-L481 PolarHBondContact O-N 3.46Å
479	A	95	Very high	93.3	Very high	3 Å²	3	24 Å²	24	3%	0.025	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-20.5	-171.4	0	0	0	0	0	114.6	M475 C476 L481 Y482 R483 Y850 L872 W876	M475-A479 PolarHBondContact O-N 3.48Å; M475-A479 VanDerWaalsContact O-N 3.11Å; C476-A479 PolarHBondContact O-N 2.68Å; A479-L481 PolarHBondContact O-N 3.02Å; A479-L481 VanDerWaalsContact O-N 3.1Å; A479-Y482 HydrophobicContact CB-CD2 4.44Å; A479-Y482 WeakPolarHBondContact O-CB 3.43Å; A479-Y482 PolarHBondContact O-N 2.96Å; A479-R483 PolarHBondContact O-N 3.24Å; A479-Y850 HydrophobicContact CB-CD1 3.45Å; A479-Y850 VanDerWaalsContact CB-CD1 3.45Å; A479-Y850 HydrophobicContact CB-CD2 3.84Å; A479-Y850 HydrophobicContact CB-CE1 3.55Å; A479-Y850 HydrophobicContact CB-CE2 3.93Å; A479-Y850 HydrophobicContact CB-CG 3.61Å; A479-L872 HydrophobicContact CB-CD1 4.46Å; A479-W876 HydrophobicContact CB-CH2 4.24Å; A479-W876 HydrophobicContact CB-CZ3 4.28Å; A479-W876 WeakPolarHBondContact O-CZ3 3.37Å
480	W	93.6	Very high	93.1	Very high	48 Å²	48	23.2 Å²	23.2	18%	0.182	12%	0.115	C	C	.	.	H	α-helix	trans	-56.2	-24.3	171.6	68.5	-100.6	0	0	0	113.2	L382 K385 L386 H478 Y482 R483 L484	L382-W480 HydrophobicContact CD1-CH2 3.98Å; L382-W480 HydrophobicContact CD1-CZ3 4.08Å; K385-W480 HydrophobicContact CB-CH2 3.67Å; K385-W480 HydrophobicContact CB-CZ2 4.3Å; K385-W480 HydrophobicContact CB-CZ3 3.79Å; K385-W480 HydrophobicContact CD-CE3 3.99Å; K385-W480 HydrophobicContact CD-CZ3 3.99Å; L386-W480 HydrophobicContact CD2-CH2 3.92Å; L386-W480 HydrophobicContact CD2-CZ2 3.95Å; L386-W480 HydrophobicContact CG-CH2 4.09Å; H478-W480 PolarHBondContact O-N 3.07Å; W480-Y482 VanDerWaalsContact C-N 3.35Å; W480-R483 WeakPolarHBondContact O-CB 3.46Å; W480-R483 PolarHBondContact O-N 3.08Å; W480-L484 HydrophobicContact CZ3-CD2 3.96Å; W480-L484 WeakPolarHBondContact O-CB 3.37Å; W480-L484 PolarHBondContact O-N 2.8Å
481	L	96.1	Very high	92.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.2	-41.7	172.6	-68.8	169.4	0	0	0	111.6	L382 F450 V454 W474 M475 H478 A479 L484 L485	L382-L481 HydrophobicContact CD1-CD2 3.48Å; L382-L481 VanDerWaalsContact CD1-CD2 3.48Å; F450-L481 HydrophobicContact CZ-CD2 4.12Å; V454-L481 HydrophobicContact CG1-CD1 3.8Å; V454-L481 HydrophobicContact CG2-CD1 4.5Å; V454-L481 HydrophobicContact CG2-CD2 3.88Å; W474-L481 HydrophobicContact CH2-CD1 3.95Å; W474-L481 HydrophobicContact CZ3-CD1 3.68Å; M475-L481 HydrophobicContact CE-CB 3.99Å; M475-L481 HydrophobicContact CE-CD1 4.25Å; M475-L481 HydrophobicContact SD-CB 4.48Å; M475-L481 HydrophobicContact SD-CD1 3.64Å; H478-L481 HydrophobicContact CB-CD1 3.67Å; H478-L481 HydrophobicContact CB-CG 4.22Å; H478-L481 WeakPolarHBondContact O-CB 3.47Å; H478-L481 WeakPolarHBondContact O-CG 3.46Å; H478-L481 PolarHBondContact O-N 3.46Å; A479-L481 PolarHBondContact O-N 3.02Å; A479-L481 VanDerWaalsContact O-N 3.1Å; L481-L484 PolarHBondContact O-N 3.06Å; L481-L485 WeakPolarHBondContact O-CB 3.27Å; L481-L485 PolarHBondContact O-N 3.08Å
482	Y	94.9	Very high	92.4	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.016	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-40.6	174.3	-65.6	-58.4	0	0	0	112.1	E300 M475 A479 W480 L484 L485 A486 L872 R873 W876	E300-Y482 WeakPolarHBondContact OE1-CE1 3.43Å; E300-Y482 PolarHBondContact OE1-OH 3.1Å; M475-Y482 HydrophobicContact CB-CE2 4.11Å; M475-Y482 WeakPolarHBondContact CB-OH 3.17Å; M475-Y482 HydrophobicContact CE-CD1 4.11Å; M475-Y482 HydrophobicContact CE-CE1 3.61Å; M475-Y482 HydrophobicContact CE-CE2 4.27Å; A479-Y482 HydrophobicContact CB-CD2 4.44Å; A479-Y482 WeakPolarHBondContact O-CB 3.43Å; A479-Y482 PolarHBondContact O-N 2.96Å; W480-Y482 VanDerWaalsContact C-N 3.35Å; Y482-L484 VanDerWaalsContact C-N 3.3Å; Y482-L484 PolarHBondContact O-N 3.36Å; Y482-L485 PolarHBondContact O-N 3.33Å; Y482-A486 WeakPolarHBondContact O-CB 3.2Å; Y482-A486 PolarHBondContact O-N 3.42Å; Y482-L872 HydrophobicContact CD2-CB 3.81Å; Y482-L872 HydrophobicContact CD2-CD1 3.9Å; Y482-L872 HydrophobicContact CE2-CB 4.09Å; Y482-L872 HydrophobicContact CE2-CD1 4.04Å; Y482-L872 HydrophobicContact CG-CB 4.09Å; Y482-R873 HydrophobicContact CD1-CB 4.04Å; Y482-R873 HydrophobicContact CE1-CB 3.79Å; Y482-R873 HydrophobicContact CE1-CG 4.43Å; Y482-W876 VanDerWaalsContact CB-CE3 3.49Å
483	R	90.6	Very high	92.1	Very high	31 Å²	31	23.5 Å²	23.5	12%	0.117	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-39.9	175.4	-68.8	-61.9	-169.4	171.4	1.9	111.7	A479 W480 R487 W876	A479-R483 PolarHBondContact O-N 3.24Å; W480-R483 WeakPolarHBondContact O-CB 3.46Å; W480-R483 PolarHBondContact O-N 3.08Å; R483-R487 PolarHBondContact O-N 2.73Å; R483-W876 VanDerWaalsContact CD-CE3 3.42Å; R483-W876 HydrophobicContact CG-CE3 3.74Å; R483-W876 HydrophobicContact CG-CH2 4.17Å; R483-W876 HydrophobicContact CG-CZ3 3.51Å
484	L	92.5	Very high	92	Very high	26 Å²	26	21.1 Å²	21.1	14%	0.136	11%	0.107	C	C	.	.	H	α-helix	trans	-67.1	-43.5	178	-179.1	57.9	0	0	0	111	V378 L382 F450 W480 L481 Y482 R487	V378-L484 HydrophobicContact CG2-CD1 3.99Å; V378-L484 HydrophobicContact CG2-CG 3.86Å; L382-L484 HydrophobicContact CB-CD2 3.78Å; L382-L484 HydrophobicContact CD1-CD2 4.11Å; F450-L484 HydrophobicContact CE2-CD2 3.79Å; F450-L484 HydrophobicContact CE2-CG 3.97Å; F450-L484 HydrophobicContact CZ-CD2 4.25Å; F450-L484 HydrophobicContact CZ-CG 4.41Å; W480-L484 HydrophobicContact CZ3-CD2 3.96Å; W480-L484 WeakPolarHBondContact O-CB 3.37Å; W480-L484 PolarHBondContact O-N 2.8Å; L481-L484 PolarHBondContact O-N 3.06Å; Y482-L484 VanDerWaalsContact C-N 3.3Å; Y482-L484 PolarHBondContact O-N 3.36Å; L484-R487 CarbonylContact O-C 3.19Å; L484-R487 PolarHBondContact O-N 2.97Å
485	L	91.3	Very high	91.7	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-64.9	-39.4	178.2	-167	74.3	0	0	0	112.8	E447 F450 Y451 L481 Y482 R487 M488	E447-L485 HydrophobicContact CG-CD1 4.07Å; E447-L485 HydrophobicContact CG-CD2 4.2Å; F450-L485 HydrophobicContact CB-CD1 4.21Å; F450-L485 HydrophobicContact CD1-CD1 3.64Å; F450-L485 HydrophobicContact CD2-CD1 4.21Å; F450-L485 HydrophobicContact CE1-CB 4.36Å; F450-L485 HydrophobicContact CE1-CD1 3.98Å; F450-L485 HydrophobicContact CG-CD1 3.77Å; F450-L485 HydrophobicContact CZ-CB 4.42Å; F450-L485 HydrophobicContact CZ-CD1 4.41Å; Y451-L485 HydrophobicContact CE2-CD2 3.61Å; L481-L485 WeakPolarHBondContact O-CB 3.27Å; L481-L485 PolarHBondContact O-N 3.08Å; Y482-L485 PolarHBondContact O-N 3.33Å; L485-R487 PolarHBondContact O-N 3Å; L485-M488 HydrophobicContact CD1-CE 3.26Å; L485-M488 HydrophobicContact CG-CE 4.15Å; L485-M488 VanDerWaalsContact O-CB 3.24Å; L485-M488 WeakPolarHBondContact O-CB 3.43Å; L485-M488 PolarHBondContact O-N 2.82Å; L485-M488 VanDerWaalsContact O-N 3.1Å
486	A	89.2	Confident	91.5	Very high	11 Å²	11	24.3 Å²	24.3	9%	0.091	13%	0.13	C	C	.	.	H	α-helix	trans	-57.5	-32.4	175.1	0	0	0	0	0	112.2	Y482 M488 W876	Y482-A486 WeakPolarHBondContact O-CB 3.2Å; Y482-A486 PolarHBondContact O-N 3.42Å; A486-M488 VanDerWaalsContact C-N 3.32Å; A486-M488 PolarHBondContact O-N 3.29Å; A486-W876 HydrophobicContact CB-CB 4.32Å; A486-W876 WeakPolarHBondContact CB-O 3.48Å
487	R	85.9	Confident	91.4	Very high	66 Å²	66	25.2 Å²	25.2	25%	0.249	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	30.6	177.8	-63.4	-177.6	66	-171.1	-3.2	113.5	R483 L484 L485 D489 V490 P598 S600	R483-R487 PolarHBondContact O-N 2.73Å; L484-R487 CarbonylContact O-C 3.19Å; L484-R487 PolarHBondContact O-N 2.97Å; L485-R487 PolarHBondContact O-N 3Å; R487-D489 VanDerWaalsContact C-N 3.3Å; R487-V490 WeakPolarHBondContact O-CG1 3.41Å; R487-P598 VanDerWaalsContact NH2-C 3.31Å; R487-P598 PolarHBondContact NH2-O 3.49Å; R487-S600 PolarHBondContact NH1-OG 3.27Å
488	M	87.8	Confident	91.4	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.049	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-33.2	174.6	-179.4	-178.3	-55.7	0	0	112.2	V378 K443 L446 E447 L485 A486 F890	V378-M488 HydrophobicContact CG1-CG 4.18Å; V378-M488 HydrophobicContact CG2-CB 4.45Å; K443-M488 HydrophobicContact CB-SD 4.27Å; K443-M488 HydrophobicContact CG-SD 4.45Å; L446-M488 HydrophobicContact CB-SD 3.81Å; L446-M488 HydrophobicContact CD2-CG 3.61Å; L446-M488 HydrophobicContact CD2-SD 3.76Å; L446-M488 HydrophobicContact CG-CE 4.24Å; L446-M488 HydrophobicContact CG-CG 4.19Å; L446-M488 HydrophobicContact CG-SD 3.78Å; E447-M488 HydrophobicContact CB-CE 3.85Å; L485-M488 HydrophobicContact CD1-CE 3.26Å; L485-M488 HydrophobicContact CG-CE 4.15Å; L485-M488 VanDerWaalsContact O-CB 3.24Å; L485-M488 WeakPolarHBondContact O-CB 3.43Å; L485-M488 PolarHBondContact O-N 2.82Å; L485-M488 VanDerWaalsContact O-N 3.1Å; A486-M488 VanDerWaalsContact C-N 3.32Å; A486-M488 PolarHBondContact O-N 3.29Å; M488-F890 HydrophobicContact CG-CZ 4.13Å
489	D	87.2	Confident	91.3	Very high	41 Å²	41	26.4 Å²	26.4	22%	0.219	14%	0.139	C	C	.	.			trans	-95.3	100.5	175.1	-165.2	-12.5	0	0	0	110.2	K443 R487 S491 F890	K443-D489 WeakPolarHBondContact CE-OD2 3.33Å; K443-D489 IonicContact NZ-OD2 2.85Å; K443-D489 PolarHBondContact NZ-OD2 3.4Å; R487-D489 VanDerWaalsContact C-N 3.3Å; D489-S491 VanDerWaalsContact OD1-CB 3.25Å; D489-S491 WeakPolarHBondContact OD1-CB 3.35Å; D489-S491 PolarHBondContact OD1-N 2.89Å; D489-S491 VanDerWaalsContact OD1-N 3.17Å; D489-S491 PolarHBondContact OD1-OG 3.3Å; D489-F890 HydrophobicContact CB-CE2 4.49Å
490	V	88.2	Confident	91.1	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.042	14%	0.141	C	C	.	.			trans	-112.7	23	174.6	-68	0	0	0	0	111.7	Q377 R487 E492 L493 P598 I891	Q377-V490 HydrophobicContact CB-CG2 4.49Å; R487-V490 WeakPolarHBondContact O-CG1 3.41Å; V490-E492 PolarHBondContact O-N 3.37Å; V490-E492 VanDerWaalsContact O-N 3.14Å; V490-L493 HydrophobicContact CB-CD1 3.89Å; V490-L493 HydrophobicContact CB-CG 4.18Å; V490-L493 HydrophobicContact CG1-CD1 4.43Å; V490-L493 HydrophobicContact CG2-CD1 4.49Å; V490-L493 WeakPolarHBondContact O-CB 3.09Å; V490-L493 WeakPolarHBondContact O-CG 3.26Å; V490-L493 PolarHBondContact O-N 3Å; V490-P598 HydrophobicContact CB-CG 4.13Å; V490-P598 HydrophobicContact CG1-CB 4.22Å; V490-P598 HydrophobicContact CG1-CG 4.08Å; V490-I891 HydrophobicContact CG2-CD1 3.97Å; V490-I891 HydrophobicContact CG2-CG1 3.56Å
491	S	88.1	Confident	91.1	Very high	5 Å²	5	25.9 Å²	25.9	4%	0.035	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31.9	-174.7	56.3	0	0	0	0	113.6	D489 L493 S494 A495 F886 E889	D489-S491 VanDerWaalsContact OD1-CB 3.25Å; D489-S491 WeakPolarHBondContact OD1-CB 3.35Å; D489-S491 PolarHBondContact OD1-N 2.89Å; D489-S491 VanDerWaalsContact OD1-N 3.17Å; D489-S491 PolarHBondContact OD1-OG 3.3Å; S491-L493 PolarHBondContact O-N 3.16Å; S491-L493 VanDerWaalsContact O-N 3.09Å; S491-S494 PolarHBondContact O-N 2.84Å; S491-S494 PolarHBondContact O-OG 3.48Å; S491-A495 PolarHBondContact O-N 2.79Å; S491-F886 WeakPolarHBondContact OG-CE2 3.42Å; S491-E889 WeakPolarHBondContact CA-O 3.16Å; S491-E889 WeakPolarHBondContact CB-O 3.25Å
492	E	89.4	Confident	90.8	Very high	28 Å²	28	33 Å²	33	13%	0.131	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-59.2	-20.5	174.5	-74.7	-58.5	133.1	0	0	114.4	V490 S494 A495 R505 I595 P598	V490-E492 PolarHBondContact O-N 3.37Å; V490-E492 VanDerWaalsContact O-N 3.14Å; E492-S494 PolarHBondContact O-N 2.91Å; E492-A495 PolarHBondContact O-N 3.38Å; E492-R505 IonicContact OE1-CZ 3.46Å; E492-R505 IonicContact OE1-NH2 2.87Å; E492-R505 PolarHBondContact OE1-NH2 3.35Å; E492-R505 IonicContact OE2-CZ 2.8Å; E492-R505 VanDerWaalsContact OE2-CZ 3.27Å; E492-R505 IonicContact OE2-NH1 3.35Å; E492-R505 PolarHBondContact OE2-NH1 3.43Å; E492-R505 IonicContact OE2-NH2 3.48Å; E492-R505 PolarHBondContact OE2-NH2 2.89Å; E492-I595 HydrophobicContact CG-CG2 4.39Å; E492-P598 HydrophobicContact CB-CG 4.46Å
493	L	90.4	Very high	90.5	Very high	25 Å²	25	35.2 Å²	35.2	13%	0.131	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-67.8	-21.3	173.2	-59.8	-175.6	0	0	0	113.1	V490 S491 V597 P598 T599 L604	V490-L493 HydrophobicContact CB-CD1 3.89Å; V490-L493 HydrophobicContact CB-CG 4.18Å; V490-L493 HydrophobicContact CG1-CD1 4.43Å; V490-L493 HydrophobicContact CG2-CD1 4.49Å; V490-L493 WeakPolarHBondContact O-CB 3.09Å; V490-L493 WeakPolarHBondContact O-CG 3.26Å; V490-L493 PolarHBondContact O-N 3Å; S491-L493 PolarHBondContact O-N 3.16Å; S491-L493 VanDerWaalsContact O-N 3.09Å; L493-V597 HydrophobicContact CD2-CG1 3.66Å; L493-P598 HydrophobicContact CD2-CG 4.22Å; L493-P598 HydrophobicContact CG-CG 4.16Å; L493-T599 HydrophobicContact CD2-CG2 4.27Å; L493-L604 HydrophobicContact CD1-CD2 4.19Å; L493-L604 HydrophobicContact CD2-CD2 3.93Å
494	S	91.4	Very high	90.5	Very high	40 Å²	40	34.8 Å²	34.8	28%	0.28	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-1.8	-179.5	65.4	0	0	0	0	113.1	S491 E492 E889	S491-S494 PolarHBondContact O-N 2.84Å; S491-S494 PolarHBondContact O-OG 3.48Å; E492-S494 PolarHBondContact O-N 2.91Å; S494-E889 PolarHBondContact OG-N 3.14Å
495	A	91.5	Very high	90.5	Very high	14 Å²	14	34.7 Å²	34.7	12%	0.116	20%	0.197	C	C	.	.			trans	-61.3	125.5	179.5	0	0	0	0	0	110.8	S491 E492 L499 R887	S491-A495 PolarHBondContact O-N 2.79Å; E492-A495 PolarHBondContact O-N 3.38Å; A495-L499 HydrophobicContact CB-CD1 4.07Å; A495-R887 HydrophobicContact CB-CB 4.25Å
496	P	92.9	Very high	90.6	Very high	62 Å²	62	34.6 Å²	34.6	40%	0.403	20%	0.196	S	C	.	.			trans	-73.8	141.7	-173.5	24.2	-30	0	0	0	112.4	E498 L499	P496-E498 PolarHBondContact O-N 3.27Å; P496-E498 VanDerWaalsContact O-N 3.16Å; P496-L499 HydrophobicContact CG-CD1 4.37Å; P496-L499 HydrophobicContact CG-CG 4.05Å; P496-L499 WeakPolarHBondContact O-CB 3.37Å; P496-L499 WeakPolarHBondContact O-CD1 3.36Å; P496-L499 WeakPolarHBondContact O-CG 3.48Å; P496-L499 PolarHBondContact O-N 2.93Å; P496-L499 VanDerWaalsContact O-N 3.14Å
497	A	94	Very high	90.8	Very high	20 Å²	20	34.2 Å²	34.2	17%	0.165	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.3	175	0	0	0	0	0	113.1	L499 L500 L612 E615	A497-L499 PolarHBondContact O-N 3.24Å; A497-L499 VanDerWaalsContact O-N 3.07Å; A497-L500 PolarHBondContact O-N 2.96Å; A497-L500 VanDerWaalsContact O-N 3.14Å; A497-L612 HydrophobicContact CB-CD1 4.31Å; A497-E615 HydrophobicContact CB-CB 3.83Å; A497-E615 HydrophobicContact CB-CG 4.13Å
498	E	94.1	Very high	91.1	Very high	88 Å²	88	31.1 Å²	31.1	41%	0.411	18%	0.181	S	C	.	.	H	α-helix	trans	-59.7	-17	177.2	-61.3	-178.6	-176.3	0	0	113.8	P496 L500 T501 K502	P496-E498 PolarHBondContact O-N 3.27Å; P496-E498 VanDerWaalsContact O-N 3.16Å; E498-L500 PolarHBondContact O-N 2.9Å; E498-T501 PolarHBondContact O-N 2.96Å; E498-T501 VanDerWaalsContact O-N 3.11Å; E498-T501 PolarHBondContact O-OG1 3.48Å; E498-K502 HydrophobicContact CB-CD 4.37Å; E498-K502 WeakPolarHBondContact O-CB 3.27Å; E498-K502 WeakPolarHBondContact O-CG 3.4Å; E498-K502 PolarHBondContact O-N 2.91Å; E498-K502 VanDerWaalsContact OE2-CE 3.24Å; E498-K502 WeakPolarHBondContact OE2-CE 3.25Å; E498-K502 IonicContact OE2-NZ 3.89Å; E498-K502 PolarHBondContact OE2-NZ 3.07Å
499	L	92.3	Very high	91.2	Very high	21 Å²	21	30.7 Å²	30.7	11%	0.11	18%	0.179	C	C	.	.	H	α-helix	trans	-54.3	-34	173.4	-68.4	168.7	0	0	0	111.6	A495 P496 A497 G503 A504 R505 R887	A495-L499 HydrophobicContact CB-CD1 4.07Å; P496-L499 HydrophobicContact CG-CD1 4.37Å; P496-L499 HydrophobicContact CG-CG 4.05Å; P496-L499 WeakPolarHBondContact O-CB 3.37Å; P496-L499 WeakPolarHBondContact O-CD1 3.36Å; P496-L499 WeakPolarHBondContact O-CG 3.48Å; P496-L499 PolarHBondContact O-N 2.93Å; P496-L499 VanDerWaalsContact O-N 3.14Å; A497-L499 PolarHBondContact O-N 3.24Å; A497-L499 VanDerWaalsContact O-N 3.07Å; L499-G503 PolarHBondContact O-N 3.38Å; L499-A504 HydrophobicContact CB-CB 4.27Å; L499-A504 HydrophobicContact CD2-CB 3.95Å; L499-A504 WeakPolarHBondContact O-CA 3.22Å; L499-A504 WeakPolarHBondContact O-CB 3.34Å; L499-A504 PolarHBondContact O-N 3.28Å; L499-R505 HydrophobicContact CB-CB 4.49Å; L499-R505 HydrophobicContact CB-CG 4.18Å; L499-R505 PolarHBondContact O-N 3.43Å; L499-R887 HydrophobicContact CD1-CB 3.69Å; L499-R887 HydrophobicContact CD1-CG 4.08Å
500	L	92.8	Very high	91	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.052	17%	0.171	C	C	.	.	H	α-helix	trans	-68.2	-48.2	176.4	-178.4	68.9	0	0	0	111.6	A497 E498 K502 G503 L507 L612 I616 L623	A497-L500 PolarHBondContact O-N 2.96Å; A497-L500 VanDerWaalsContact O-N 3.14Å; E498-L500 PolarHBondContact O-N 2.9Å; L500-K502 VanDerWaalsContact C-N 3.3Å; L500-K502 PolarHBondContact O-N 2.69Å; L500-G503 PolarHBondContact O-N 2.98Å; L500-G503 VanDerWaalsContact O-N 3.09Å; L500-L507 HydrophobicContact CD1-CD2 4.03Å; L500-L507 HydrophobicContact CD1-CG 3.71Å; L500-L507 HydrophobicContact CD2-CD1 4.05Å; L500-L507 HydrophobicContact CD2-CD2 4Å; L500-L507 HydrophobicContact CD2-CG 3.93Å; L500-L507 HydrophobicContact CG-CG 4.47Å; L500-L612 HydrophobicContact CB-CD1 4.4Å; L500-L612 HydrophobicContact CD2-CD1 4.01Å; L500-I616 HydrophobicContact CD2-CD1 3.82Å; L500-I616 HydrophobicContact CD2-CG1 3.49Å; L500-I616 VanDerWaalsContact CD2-CG1 3.49Å; L500-L623 HydrophobicContact CD2-CD1 4.01Å; L500-L623 HydrophobicContact CG-CD1 4.39Å
501	T	91.9	Very high	90.5	Very high	30 Å²	30	34 Å²	34	18%	0.184	19%	0.193	C	C	.	.	H	α-helix	trans	-77.6	-18.6	-174.2	58.3	0	0	0	0	112.8	E498 G503 E615 A619 L623	E498-T501 PolarHBondContact O-N 2.96Å; E498-T501 VanDerWaalsContact O-N 3.11Å; E498-T501 PolarHBondContact O-OG1 3.48Å; T501-G503 VanDerWaalsContact C-N 3.34Å; T501-E615 WeakPolarHBondContact CB-OE1 3.27Å; T501-E615 HydrophobicContact CG2-CG 3.72Å; T501-E615 WeakPolarHBondContact CG2-OE1 3.25Å; T501-E615 PolarHBondContact OG1-OE1 3.42Å; T501-A619 HydrophobicContact CG2-CB 3.59Å; T501-L623 HydrophobicContact CG2-CD2 4.06Å
502	K	90.5	Very high	89.8	Confident	150 Å²	150	37.6 Å²	37.6	65%	0.652	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-2.7	168.4	-66.9	175.2	-174.9	166.9	0	113.4	E498 L500 A504	E498-K502 HydrophobicContact CB-CD 4.37Å; E498-K502 WeakPolarHBondContact O-CB 3.27Å; E498-K502 WeakPolarHBondContact O-CG 3.4Å; E498-K502 PolarHBondContact O-N 2.91Å; E498-K502 VanDerWaalsContact OE2-CE 3.24Å; E498-K502 WeakPolarHBondContact OE2-CE 3.25Å; E498-K502 IonicContact OE2-NZ 3.89Å; E498-K502 PolarHBondContact OE2-NZ 3.07Å; L500-K502 VanDerWaalsContact C-N 3.3Å; L500-K502 PolarHBondContact O-N 2.69Å; K502-A504 VanDerWaalsContact C-N 3.26Å; K502-A504 PolarHBondContact O-N 3.44Å
503	G	88.1	Confident	89	Confident	50 Å²	50	38 Å²	38	52%	0.515	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	10.8	179.3	0	0	0	0	0	114.9	L499 L500 T501 R505	L499-G503 PolarHBondContact O-N 3.38Å; L500-G503 PolarHBondContact O-N 2.98Å; L500-G503 VanDerWaalsContact O-N 3.09Å; T501-G503 VanDerWaalsContact C-N 3.34Å; G503-R505 VanDerWaalsContact C-N 3.31Å
504	A	90	Very high	88.6	Confident	22 Å²	22	37.1 Å²	37.1	18%	0.182	21%	0.206	C	C	.	.	S	Bend	trans	-73.9	-26.6	173.2	0	0	0	0	0	111.9	L499 K502 P588 R887	L499-A504 HydrophobicContact CB-CB 4.27Å; L499-A504 HydrophobicContact CD2-CB 3.95Å; L499-A504 WeakPolarHBondContact O-CA 3.22Å; L499-A504 WeakPolarHBondContact O-CB 3.34Å; L499-A504 PolarHBondContact O-N 3.28Å; K502-A504 VanDerWaalsContact C-N 3.26Å; K502-A504 PolarHBondContact O-N 3.44Å; A504-P588 WeakPolarHBondContact O-CD 3.17Å; A504-R887 PolarHBondContact O-NH2 2.91Å
505	R	92.8	Very high	88.3	Confident	25 Å²	25	38.5 Å²	38.5	9%	0.094	21%	0.214	C	C	.	.	S	Bend	trans	-123.2	158.3	170.2	-72.2	-178.2	173.7	174.5	-0.7	110.1	E492 L499 G503 R586 E587 I595	E492-R505 IonicContact OE1-CZ 3.46Å; E492-R505 IonicContact OE1-NH2 2.87Å; E492-R505 PolarHBondContact OE1-NH2 3.35Å; E492-R505 IonicContact OE2-CZ 2.8Å; E492-R505 VanDerWaalsContact OE2-CZ 3.27Å; E492-R505 IonicContact OE2-NH1 3.35Å; E492-R505 PolarHBondContact OE2-NH1 3.43Å; E492-R505 IonicContact OE2-NH2 3.48Å; E492-R505 PolarHBondContact OE2-NH2 2.89Å; L499-R505 HydrophobicContact CB-CB 4.49Å; L499-R505 HydrophobicContact CB-CG 4.18Å; L499-R505 PolarHBondContact O-N 3.43Å; G503-R505 VanDerWaalsContact C-N 3.31Å; R505-R586 WeakPolarHBondContact CA-O 3.36Å; R505-E587 IonicContact CZ-OE1 3.7Å; R505-E587 IonicContact NE-OE1 2.71Å; R505-E587 PolarHBondContact NE-OE1 2.94Å; R505-E587 IonicContact NH2-OE1 3.94Å; R505-E587 PolarHBondContact NH2-OE1 2.79Å; R505-I595 HydrophobicContact CG-CD1 4.5Å
506	V	93.3	Very high	88.2	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	156.4	175.4	-68.4	0	0	0	0	110.7	V508 P585 R586 P588 L591 E624	V506-V508 HydrophobicContact CG2-CG2 4.43Å; V506-P585 WeakPolarHBondContact O-CA 3.37Å; V506-R586 PolarHBondContact N-O 2.87Å; V506-R586 PolarHBondContact O-N 2.71Å; V506-P588 HydrophobicContact CG1-CG 4.11Å; V506-P588 HydrophobicContact CG2-CG 4.39Å; V506-L591 HydrophobicContact CG2-CD2 3.6Å; V506-E624 HydrophobicContact CG1-CB 4.11Å; V506-E624 HydrophobicContact CG1-CG 3.95Å
507	L	94	Very high	88	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.4	172.3	-68	178.1	0	0	0	110	L500 F583 P585 I616 E624 V625 T626 F636	L500-L507 HydrophobicContact CD1-CD2 4.03Å; L500-L507 HydrophobicContact CD1-CG 3.71Å; L500-L507 HydrophobicContact CD2-CD1 4.05Å; L500-L507 HydrophobicContact CD2-CD2 4Å; L500-L507 HydrophobicContact CD2-CG 3.93Å; L500-L507 HydrophobicContact CG-CG 4.47Å; L507-F583 HydrophobicContact CB-CB 4.08Å; L507-F583 HydrophobicContact CB-CD1 3.88Å; L507-F583 HydrophobicContact CB-CG 4.22Å; L507-F583 HydrophobicContact CD1-CB 4.26Å; L507-F583 HydrophobicContact CD1-CG 4.41Å; L507-F583 HydrophobicContact CD2-CB 4.2Å; L507-F583 HydrophobicContact CG-CB 4.39Å; L507-P585 HydrophobicContact CD2-CG 4.15Å; L507-I616 HydrophobicContact CD1-CD1 4.09Å; L507-E624 PolarHBondContact N-O 3.37Å; L507-V625 HydrophobicContact CB-CG1 4.14Å; L507-V625 CarbonylContact O-C 3.56Å; L507-V625 WeakPolarHBondContact O-CA 3.35Å; L507-T626 PolarHBondContact O-N 2.93Å; L507-F636 HydrophobicContact CD1-CE1 4.43Å; L507-F636 HydrophobicContact CD1-CE2 3.71Å; L507-F636 HydrophobicContact CD1-CZ 3.56Å
508	V	92.9	Very high	87.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.8	175.9	-178.5	0	0	0	0	108.6	V506 Y512 L513 F583 I584 R586 L591	V506-V508 HydrophobicContact CG2-CG2 4.43Å; V508-Y512 HydrophobicContact CG1-CD1 3.66Å; V508-Y512 HydrophobicContact CG1-CE1 4.42Å; V508-L513 HydrophobicContact CG1-CD1 4.05Å; V508-L513 HydrophobicContact CG1-CD2 4.28Å; V508-L513 HydrophobicContact CG1-CG 4.07Å; V508-F583 WeakPolarHBondContact O-CA 3.34Å; V508-I584 PolarHBondContact N-O 2.99Å; V508-I584 PolarHBondContact O-N 3.27Å; V508-R586 HydrophobicContact CB-CG 3.96Å; V508-R586 HydrophobicContact CG2-CB 3.77Å; V508-R586 HydrophobicContact CG2-CG 3.51Å; V508-L591 HydrophobicContact CG2-CD2 4.03Å
509	A	90.4	Very high	87.6	Confident	2 Å²	2	40.5 Å²	40.5	2%	0.017	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	135.3	176	0	0	0	0	0	110.7	E511 Y512 I582 F583 T626 L627	A509-E511 VanDerWaalsContact C-N 3.28Å; A509-E511 PolarHBondContact O-N 2.5Å; A509-Y512 WeakPolarHBondContact O-CB 3.49Å; A509-Y512 PolarHBondContact O-N 3.3Å; A509-I582 WeakPolarHBondContact CA-O 3.25Å; A509-F583 HydrophobicContact CB-CD1 4.31Å; A509-F583 HydrophobicContact CB-CE1 3.99Å; A509-T626 PolarHBondContact N-O 3.3Å; A509-L627 HydrophobicContact CB-CD2 3.59Å
510	D	82.1	Confident	87.6	Confident	9 Å²	9	40.3 Å²	40.3	5%	0.048	23%	0.227	C	C	.	.	H	α-helix	trans	-65.3	-31.3	-176.1	-173.3	67.8	0	0	0	113.1	Y512 L513 A514 I582 I584	D510-Y512 PolarHBondContact O-N 3.37Å; D510-Y512 VanDerWaalsContact O-N 3.08Å; D510-L513 CarbonylContact O-C 3.46Å; D510-L513 WeakPolarHBondContact O-CA 3.13Å; D510-L513 PolarHBondContact O-N 3.25Å; D510-A514 WeakPolarHBondContact O-CB 3.5Å; D510-A514 PolarHBondContact O-N 3.34Å; D510-I582 HydrophobicContact CB-CB 3.95Å; D510-I582 HydrophobicContact CB-CG2 3.79Å; D510-I582 PolarHBondContact N-O 3.11Å; D510-I584 HydrophobicContact CB-CD1 4.31Å; D510-I584 VanDerWaalsContact OD1-CD1 3.25Å; D510-I584 WeakPolarHBondContact OD1-CD1 3.14Å
511	E	78	Confident	87.7	Confident	109 Å²	109	43.9 Å²	43.9	51%	0.509	25%	0.245	S	C	.	.	H	α-helix	trans	-51.8	-34.3	175.2	-68.2	163.2	178.3	0	0	112.3	A509 Q581	A509-E511 VanDerWaalsContact C-N 3.28Å; A509-E511 PolarHBondContact O-N 2.5Å; E511-Q581 PolarHBondContact OE2-NE2 3.28Å
512	Y	72.4	Confident	87.7	Confident	79 Å²	79	52.2 Å²	52.2	31%	0.31	28%	0.279	S	S	.	.	H	α-helix	trans	-69.9	-32.4	175.9	173.5	-118.8	0	0	0	113	V508 A509 D510 Q629	V508-Y512 HydrophobicContact CG1-CD1 3.66Å; V508-Y512 HydrophobicContact CG1-CE1 4.42Å; A509-Y512 WeakPolarHBondContact O-CB 3.49Å; A509-Y512 PolarHBondContact O-N 3.3Å; D510-Y512 PolarHBondContact O-N 3.37Å; D510-Y512 VanDerWaalsContact O-N 3.08Å; Y512-Q629 HydrophobicContact CD2-CG 4.11Å; Y512-Q629 HydrophobicContact CE2-CB 4.47Å; Y512-Q629 HydrophobicContact CE2-CG 3.3Å
513	L	73.5	Confident	87.8	Confident	37 Å²	37	52.2 Å²	52.2	19%	0.194	28%	0.281	C	S	.	.	H	α-helix	trans	-93.4	-16.9	-174.8	-58.8	176.5	0	0	0	112.9	V508 D510 P515 I584	V508-L513 HydrophobicContact CG1-CD1 4.05Å; V508-L513 HydrophobicContact CG1-CD2 4.28Å; V508-L513 HydrophobicContact CG1-CG 4.07Å; D510-L513 CarbonylContact O-C 3.46Å; D510-L513 WeakPolarHBondContact O-CA 3.13Å; D510-L513 PolarHBondContact O-N 3.25Å; L513-P515 VanDerWaalsContact O-CD 3.32Å; L513-P515 WeakPolarHBondContact O-CD 3.44Å; L513-I584 HydrophobicContact CD1-CD1 4.44Å
514	A	81.3	Confident	88.1	Confident	6 Å²	6	50 Å²	50	5%	0.05	26%	0.258	C	S	.	.	S	Bend	trans	-119.7	76.1	-172.6	0	0	0	0	0	112.3	D510 D516 A541 N699	D510-A514 WeakPolarHBondContact O-CB 3.5Å; D510-A514 PolarHBondContact O-N 3.34Å; A514-D516 PolarHBondContact O-N 3.22Å; A514-A541 HydrophobicContact CB-CB 4.43Å; A514-N699 HydrophobicContact CB-CB 4.05Å
515	P	85.6	Confident	88.3	Confident	69 Å²	69	53.9 Å²	53.9	45%	0.448	27%	0.271	S	S	.	.			trans	-62.6	134.2	177.9	26.2	-34.2	0	0	0	111.1	L513 V517 N528	L513-P515 VanDerWaalsContact O-CD 3.32Å; L513-P515 WeakPolarHBondContact O-CD 3.44Å; P515-V517 PolarHBondContact O-N 2.93Å; P515-N528 PolarHBondContact O-ND2 3.01Å
516	D	89.1	Confident	88.4	Confident	39 Å²	39	53 Å²	53	21%	0.209	27%	0.268	C	S	.	.			trans	-81.8	80.1	179.7	-173.2	22.8	0	0	0	111.7	A514 L518 S519 T520 I521 A527 N528	A514-D516 PolarHBondContact O-N 3.22Å; D516-L518 VanDerWaalsContact C-N 3.29Å; D516-L518 PolarHBondContact O-N 3.35Å; D516-S519 PolarHBondContact O-N 3.29Å; D516-S519 PolarHBondContact OD1-N 3.08Å; D516-S519 VanDerWaalsContact OD1-N 3.13Å; D516-S519 WeakPolarHBondContact OD2-CA 3.25Å; D516-T520 VanDerWaalsContact CG-N 3.34Å; D516-T520 PolarHBondContact OD1-N 3.27Å; D516-T520 VanDerWaalsContact OD1-N 3.1Å; D516-T520 PolarHBondContact OD1-OG1 3.23Å; D516-T520 PolarHBondContact OD2-N 3.4Å; D516-I521 HydrophobicContact CB-CD1 3.56Å; D516-I521 HydrophobicContact CB-CG1 3.96Å; D516-I521 WeakPolarHBondContact OD2-CB 3.01Å; D516-I521 VanDerWaalsContact OD2-CG1 3.26Å; D516-I521 WeakPolarHBondContact OD2-CG1 3.31Å; D516-I521 PolarHBondContact OD2-N 3.16Å; D516-A527 HydrophobicContact CB-CB 3.7Å; D516-A527 WeakPolarHBondContact OD1-CA 3.2Å; D516-N528 PolarHBondContact OD1-N 3.28Å
517	V	88.1	Confident	88.4	Confident	34 Å²	34	53.3 Å²	53.3	21%	0.206	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-34.4	-179.3	-179.8	0	0	0	0	111.4	P515 S519 N528 M776	P515-V517 PolarHBondContact O-N 2.93Å; V517-S519 VanDerWaalsContact C-N 3.29Å; V517-N528 PolarHBondContact N-OD1 2.87Å; V517-M776 HydrophobicContact CG1-CG 3.63Å; V517-M776 HydrophobicContact CG1-SD 4.08Å; V517-M776 HydrophobicContact CG2-SD 4.46Å
518	L	88.4	Confident	88.4	Confident	59 Å²	59	53.3 Å²	53.3	31%	0.309	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.2	-179.7	-57.5	-178.2	0	0	0	113.3	D516 T520 N528 R530 H777	D516-L518 VanDerWaalsContact C-N 3.29Å; D516-L518 PolarHBondContact O-N 3.35Å; L518-T520 HydrophobicContact CB-CG2 3.84Å; L518-T520 PolarHBondContact O-N 3.45Å; L518-N528 HydrophobicContact CD1-CB 4.42Å; L518-N528 PolarHBondContact N-OD1 3.47Å; L518-R530 HydrophobicContact CD1-CB 3.88Å; L518-R530 HydrophobicContact CD1-CG 4.38Å; L518-H777 VanDerWaalsContact CD2-CD2 3.49Å; L518-H777 WeakPolarHBondContact CD2-CD2 3.13Å
519	S	92	Very high	88.5	Confident	95 Å²	95	54.4 Å²	54.4	66%	0.664	28%	0.276	S	S	*	.			trans	54.8	33.7	178.6	-59.4	0	0	0	0	113.9	D516 V517	D516-S519 PolarHBondContact O-N 3.29Å; D516-S519 PolarHBondContact OD1-N 3.08Å; D516-S519 VanDerWaalsContact OD1-N 3.13Å; D516-S519 WeakPolarHBondContact OD2-CA 3.25Å; V517-S519 VanDerWaalsContact C-N 3.29Å
520	T	93.4	Very high	88.7	Confident	16 Å²	16	56.1 Å²	56.1	10%	0.098	28%	0.282	C	S	.	.			trans	-90.8	-8	-174.7	60.7	0	0	0	0	114.7	D516 L518 K522 E523 M524 V526 N528 F529	D516-T520 VanDerWaalsContact CG-N 3.34Å; D516-T520 PolarHBondContact OD1-N 3.27Å; D516-T520 VanDerWaalsContact OD1-N 3.1Å; D516-T520 PolarHBondContact OD1-OG1 3.23Å; D516-T520 PolarHBondContact OD2-N 3.4Å; L518-T520 HydrophobicContact CB-CG2 3.84Å; L518-T520 PolarHBondContact O-N 3.45Å; T520-K522 PolarHBondContact O-N 3.27Å; T520-E523 PolarHBondContact O-N 3.38Å; T520-M524 PolarHBondContact O-N 3.46Å; T520-V526 CarbonylContact C-O 3.3Å; T520-V526 VanDerWaalsContact C-O 3.3Å; T520-V526 PolarHBondContact OG1-O 3.1Å; T520-N528 PolarHBondContact OG1-N 3.2Å; T520-F529 HydrophobicContact CG2-CB 4.02Å; T520-F529 WeakPolarHBondContact CG2-O 3.24Å; T520-F529 PolarHBondContact OG1-N 2.9Å
521	I	93.5	Very high	89.3	Confident	85 Å²	85	61 Å²	61	44%	0.436	30%	0.299	S	S	.	.	H	α-helix	trans	-56.1	-40.4	179.8	-73.6	169.9	0	0	0	111.1	D516 E523 K525 V526 A527	D516-I521 HydrophobicContact CB-CD1 3.56Å; D516-I521 HydrophobicContact CB-CG1 3.96Å; D516-I521 WeakPolarHBondContact OD2-CB 3.01Å; D516-I521 VanDerWaalsContact OD2-CG1 3.26Å; D516-I521 WeakPolarHBondContact OD2-CG1 3.31Å; D516-I521 PolarHBondContact OD2-N 3.16Å; I521-E523 VanDerWaalsContact C-N 3.32Å; I521-E523 PolarHBondContact O-N 3.29Å; I521-K525 WeakPolarHBondContact O-CA 3.24Å; I521-K525 PolarHBondContact O-N 3.28Å; I521-V526 PolarHBondContact N-O 3.19Å; I521-A527 HydrophobicContact CD1-CB 4.14Å; I521-A527 HydrophobicContact CG1-CB 4.04Å
522	K	92.9	Very high	90.1	Very high	206 Å²	206	55.9 Å²	55.9	90%	0.896	28%	0.276	S	S	*	.	H	α-helix	trans	-64.9	-35.6	-177.7	-69.9	-176.6	-180	176.2	0	113.3	T520	T520-K522 PolarHBondContact O-N 3.27Å
523	E	91.8	Very high	90.9	Very high	149 Å²	149	55.8 Å²	55.8	70%	0.696	28%	0.284	S	S	*	.	H	α-helix	trans	-89.6	-45.6	-176.9	-175.4	179	177.2	0	0	111.7	T520 I521	T520-E523 PolarHBondContact O-N 3.38Å; I521-E523 VanDerWaalsContact C-N 3.32Å; I521-E523 PolarHBondContact O-N 3.29Å
524	M	94.4	Very high	91.7	Very high	5 Å²	5	63.7 Å²	63.7	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-109	-2.1	-168.1	-60.6	-61	-59.7	0	0	113.3	T520 V526 F529 V551 H554	T520-M524 PolarHBondContact O-N 3.46Å; M524-V526 HydrophobicContact CB-CG1 4.06Å; M524-V526 PolarHBondContact O-N 3.36Å; M524-V526 VanDerWaalsContact O-N 3.08Å; M524-F529 HydrophobicContact CB-CB 4.07Å; M524-F529 HydrophobicContact CB-CD2 4.42Å; M524-F529 HydrophobicContact CB-CG 4.13Å; M524-F529 HydrophobicContact CE-CD1 4.12Å; M524-F529 HydrophobicContact CE-CD2 3.69Å; M524-F529 HydrophobicContact CE-CE1 3.85Å; M524-F529 HydrophobicContact CE-CE2 3.46Å; M524-F529 VanDerWaalsContact CE-CE2 3.46Å; M524-F529 HydrophobicContact CE-CG 4.06Å; M524-F529 HydrophobicContact CE-CZ 3.53Å; M524-F529 HydrophobicContact CG-CB 4Å; M524-F529 HydrophobicContact CG-CD1 3.7Å; M524-F529 HydrophobicContact CG-CD2 4.24Å; M524-F529 HydrophobicContact CG-CE1 4.24Å; M524-F529 HydrophobicContact CG-CG 3.72Å; M524-F529 HydrophobicContact SD-CD1 4.28Å; M524-F529 HydrophobicContact SD-CE1 4.2Å; M524-F529 HydrophobicContact SD-CZ 4.46Å; M524-V551 HydrophobicContact CE-CB 4.4Å; M524-V551 HydrophobicContact CE-CG2 3.91Å; M524-H554 HydrophobicContact CE-CB 3.65Å; M524-H554 HydrophobicContact SD-CB 4.33Å
525	K	94.7	Very high	92.3	Very high	103 Å²	103	64.4 Å²	64.4	45%	0.448	32%	0.32	S	S	.	.	S	Bend	trans	59.3	12	-173.6	-54.3	-174	-178.9	-178.1	0	114.5	I521 E546 A547 A550	I521-K525 WeakPolarHBondContact O-CA 3.24Å; I521-K525 PolarHBondContact O-N 3.28Å; K525-E546 HydrophobicContact CD-CG 3.91Å; K525-E546 IonicContact NZ-OE1 2.92Å; K525-E546 PolarHBondContact NZ-OE1 2.81Å; K525-A547 HydrophobicContact CB-CB 3.97Å; K525-A547 VanDerWaalsContact O-CB 3.26Å; K525-A547 WeakPolarHBondContact O-CB 3.37Å; K525-A550 HydrophobicContact CB-CB 4.48Å; K525-A550 HydrophobicContact CD-CB 4.16Å; K525-A550 HydrophobicContact CG-CB 4.33Å
526	V	94.7	Very high	92.8	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.03	31%	0.305	C	S	.	.	S	Bend	trans	-138.7	145.1	178.1	65.8	0	0	0	0	110.1	T520 I521 M524 F529 V540 A541 P543 A547 V551	T520-V526 CarbonylContact C-O 3.3Å; T520-V526 VanDerWaalsContact C-O 3.3Å; T520-V526 PolarHBondContact OG1-O 3.1Å; I521-V526 PolarHBondContact N-O 3.19Å; M524-V526 HydrophobicContact CB-CG1 4.06Å; M524-V526 PolarHBondContact O-N 3.36Å; M524-V526 VanDerWaalsContact O-N 3.08Å; V526-F529 HydrophobicContact CG1-CB 4.15Å; V526-V540 HydrophobicContact CG1-CB 4.32Å; V526-V540 HydrophobicContact CG1-CG1 4.27Å; V526-V540 HydrophobicContact CG2-CB 4.32Å; V526-A541 HydrophobicContact CG2-CB 4.31Å; V526-A541 WeakPolarHBondContact CG2-O 3.38Å; V526-P543 HydrophobicContact CB-CB 4.43Å; V526-P543 HydrophobicContact CG2-CB 3.96Å; V526-A547 HydrophobicContact CB-CB 4.11Å; V526-V551 HydrophobicContact CG1-CG2 3.97Å
527	A	93.9	Very high	93.2	Very high	9 Å²	9	60.3 Å²	60.3	7%	0.074	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	150.8	176.1	0	0	0	0	0	112.2	D516 I521 F529 A541	D516-A527 HydrophobicContact CB-CB 3.7Å; D516-A527 WeakPolarHBondContact OD1-CA 3.2Å; I521-A527 HydrophobicContact CD1-CB 4.14Å; I521-A527 HydrophobicContact CG1-CB 4.04Å; A527-F529 PolarHBondContact O-N 3.35Å; A527-F529 VanDerWaalsContact O-N 3.15Å; A527-A541 HydrophobicContact CB-CB 3.83Å; A527-A541 WeakPolarHBondContact O-CB 3.33Å; A527-A541 PolarHBondContact O-N 3.5Å
528	N	93.2	Very high	93.7	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.016	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	32.8	169.9	-56.4	-43.6	0	0	0	115	P515 D516 V517 L518 T520 R530 G539 N699	P515-N528 PolarHBondContact O-ND2 3.01Å; D516-N528 PolarHBondContact OD1-N 3.28Å; V517-N528 PolarHBondContact N-OD1 2.87Å; L518-N528 HydrophobicContact CD1-CB 4.42Å; L518-N528 PolarHBondContact N-OD1 3.47Å; T520-N528 PolarHBondContact OG1-N 3.2Å; N528-R530 PolarHBondContact O-N 3.44Å; N528-R530 PolarHBondContact O-NH1 2.9Å; N528-G539 VanDerWaalsContact O-O 3.13Å; N528-N699 PolarHBondContact ND2-O 3.17Å
529	F	94.9	Very high	94.1	Very high	24 Å²	24	55.9 Å²	55.9	11%	0.105	27%	0.271	C	S	.	.			trans	-67.6	126.2	171.9	179.1	-87.1	0	0	0	110.3	T520 M524 V526 A527 Y538 G539 V540 V551	T520-F529 HydrophobicContact CG2-CB 4.02Å; T520-F529 WeakPolarHBondContact CG2-O 3.24Å; T520-F529 PolarHBondContact OG1-N 2.9Å; M524-F529 HydrophobicContact CB-CB 4.07Å; M524-F529 HydrophobicContact CB-CD2 4.42Å; M524-F529 HydrophobicContact CB-CG 4.13Å; M524-F529 HydrophobicContact CE-CD1 4.12Å; M524-F529 HydrophobicContact CE-CD2 3.69Å; M524-F529 HydrophobicContact CE-CE1 3.85Å; M524-F529 HydrophobicContact CE-CE2 3.46Å; M524-F529 VanDerWaalsContact CE-CE2 3.46Å; M524-F529 HydrophobicContact CE-CG 4.06Å; M524-F529 HydrophobicContact CE-CZ 3.53Å; M524-F529 HydrophobicContact CG-CB 4Å; M524-F529 HydrophobicContact CG-CD1 3.7Å; M524-F529 HydrophobicContact CG-CD2 4.24Å; M524-F529 HydrophobicContact CG-CE1 4.24Å; M524-F529 HydrophobicContact CG-CG 3.72Å; M524-F529 HydrophobicContact SD-CD1 4.28Å; M524-F529 HydrophobicContact SD-CE1 4.2Å; M524-F529 HydrophobicContact SD-CZ 4.46Å; V526-F529 HydrophobicContact CG1-CB 4.15Å; A527-F529 PolarHBondContact O-N 3.35Å; A527-F529 VanDerWaalsContact O-N 3.15Å; F529-Y538 HydrophobicContact CE1-CD1 4.47Å; F529-Y538 HydrophobicContact CE2-CD1 4.22Å; F529-Y538 AromaticContact CZ-CD1 3.71Å; F529-Y538 HydrophobicContact CZ-CD1 3.71Å; F529-Y538 HydrophobicContact CZ-CE1 4.16Å; F529-G539 CarbonylContact C-O 3.54Å; F529-G539 WeakPolarHBondContact CA-O 3.31Å; F529-V540 HydrophobicContact CB-CG1 4.19Å; F529-V540 HydrophobicContact CD2-CG1 3.35Å; F529-V540 HydrophobicContact CE2-CG1 4.08Å; F529-V540 HydrophobicContact CG-CG1 4.16Å; F529-V551 HydrophobicContact CD2-CG2 4.15Å; F529-V551 HydrophobicContact CE2-CG1 4Å; F529-V551 HydrophobicContact CE2-CG2 4.29Å
530	R	94.7	Very high	94.2	Very high	38 Å²	38	51.4 Å²	51.4	14%	0.143	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	162.6	176	68.4	-172.5	175.8	-72.1	6.8	112.2	L518 N528 Y538 G539 G700 T705 M708	L518-R530 HydrophobicContact CD1-CB 3.88Å; L518-R530 HydrophobicContact CD1-CG 4.38Å; N528-R530 PolarHBondContact O-N 3.44Å; N528-R530 PolarHBondContact O-NH1 2.9Å; R530-Y538 CarbonylContact O-C 3.56Å; R530-Y538 VanDerWaalsContact O-CA 3.26Å; R530-Y538 WeakPolarHBondContact O-CA 3.35Å; R530-G539 PolarHBondContact N-O 3.31Å; R530-G539 PolarHBondContact O-N 2.93Å; R530-G700 VanDerWaalsContact CZ-O 3.29Å; R530-G700 PolarHBondContact NH1-O 2.71Å; R530-G700 PolarHBondContact NH2-O 2.93Å; R530-T705 PolarHBondContact NH2-OG1 3.34Å; R530-M708 HydrophobicContact CG-CE 4.23Å
531	R	94.3	Very high	94.3	Very high	112 Å²	112	50.7 Å²	50.7	42%	0.423	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.7	178.8	-177.7	-167.1	168	-172.7	-1	110.3	M535 V537 Y538	R531-M535 PolarHBondContact NE-O 2.97Å; R531-M535 PolarHBondContact NH2-O 3.45Å; R531-V537 WeakPolarHBondContact CA-O 3.41Å; R531-Y538 HydrophobicContact CB-CD1 3.66Å; R531-Y538 HydrophobicContact CB-CE1 3.69Å; R531-Y538 HydrophobicContact CG-CD1 3.75Å; R531-Y538 HydrophobicContact CG-CE1 3.44Å; R531-Y538 VanDerWaalsContact CG-CE1 3.44Å; R531-Y538 HydrophobicContact CG-CE2 4.46Å; R531-Y538 HydrophobicContact CG-CG 4.4Å
532	V	94.7	Very high	94.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	22%	0.216	C	C	.	.			trans	-69.2	127.1	169.1	-176	0	0	0	0	110	K534 M535 V537 M708 V712 I769	V532-K534 PolarHBondContact O-N 2.89Å; V532-M535 HydrophobicContact CB-CB 4.1Å; V532-M535 HydrophobicContact CG1-CB 4.09Å; V532-M535 HydrophobicContact CG1-CG 4.19Å; V532-M535 HydrophobicContact CG1-SD 3.87Å; V532-M535 PolarHBondContact O-N 3.11Å; V532-M535 VanDerWaalsContact O-N 3.09Å; V532-V537 HydrophobicContact CB-CB 4.2Å; V532-V537 HydrophobicContact CG2-CB 3.87Å; V532-V537 HydrophobicContact CG2-CG1 3.86Å; V532-V537 PolarHBondContact N-O 3.23Å; V532-M708 HydrophobicContact CG2-CE 3.58Å; V532-V712 HydrophobicContact CB-CG2 4.41Å; V532-V712 HydrophobicContact CG1-CG2 3.96Å; V532-V712 HydrophobicContact CG2-CG2 3.93Å; V532-I769 HydrophobicContact CG2-CG1 3.68Å
533	P	90.7	Very high	94.4	Very high	76 Å²	76	37.3 Å²	37.3	49%	0.494	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	131.4	-178.9	-28.6	36	0	0	0	112.5	M535 S768	P533-M535 PolarHBondContact O-N 2.97Å; P533-S768 WeakPolarHBondContact CD-O 3.49Å
534	K	89.3	Confident	94.6	Very high	204 Å²	204	31.4 Å²	31.4	89%	0.887	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	7.9	179.2	-54.7	176.1	-178.5	173.4	0	115.7	V532	V532-K534 PolarHBondContact O-N 2.89Å
535	M	94.2	Very high	94.6	Very high	20 Å²	20	32.2 Å²	32.2	10%	0.099	15%	0.154	C	C	.	.	S	Bend	trans	-118	153.2	178.1	-61.1	-175.3	80.6	0	0	110.8	R531 V532 P533 V537 V712 L715 W716	R531-M535 PolarHBondContact NE-O 2.97Å; R531-M535 PolarHBondContact NH2-O 3.45Å; V532-M535 HydrophobicContact CB-CB 4.1Å; V532-M535 HydrophobicContact CG1-CB 4.09Å; V532-M535 HydrophobicContact CG1-CG 4.19Å; V532-M535 HydrophobicContact CG1-SD 3.87Å; V532-M535 PolarHBondContact O-N 3.11Å; V532-M535 VanDerWaalsContact O-N 3.09Å; P533-M535 PolarHBondContact O-N 2.97Å; M535-V537 HydrophobicContact CB-CG2 4.35Å; M535-V537 PolarHBondContact O-N 3.21Å; M535-V537 VanDerWaalsContact O-N 3.15Å; M535-V712 HydrophobicContact CE-CB 4.43Å; M535-V712 HydrophobicContact CE-CG1 4.27Å; M535-V712 HydrophobicContact CE-CG2 4.36Å; M535-V712 HydrophobicContact SD-CB 4.46Å; M535-V712 HydrophobicContact SD-CG1 4.01Å; M535-V712 HydrophobicContact SD-CG2 4.05Å; M535-L715 HydrophobicContact CE-CB 3.51Å; M535-L715 HydrophobicContact CE-CD1 3.79Å; M535-L715 HydrophobicContact CE-CG 4.31Å; M535-W716 HydrophobicContact SD-CZ2 4.45Å; M535-W716 PolarHBondContact SD-NE1 3.2Å; M535-W716 VanDerWaalsContact SD-NE1 3.37Å
536	P	96.1	Very high	94.7	Very high	22 Å²	22	33.3 Å²	33.3	14%	0.143	16%	0.161	C	C	.	.	S	Bend	trans	-87.1	44.3	176.8	39.3	-37.9	0	0	0	110.6	A692 F693	P536-A692 HydrophobicContact CB-CB 4.42Å; P536-A692 WeakPolarHBondContact O-CA 3.45Å; P536-F693 PolarHBondContact O-N 3.41Å
537	V	98	Very high	94.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.4	-177.4	178.6	0	0	0	0	108.9	R531 V532 M535 F693 F695 M708 A711 V712 L715	R531-V537 WeakPolarHBondContact CA-O 3.41Å; V532-V537 HydrophobicContact CB-CB 4.2Å; V532-V537 HydrophobicContact CG2-CB 3.87Å; V532-V537 HydrophobicContact CG2-CG1 3.86Å; V532-V537 PolarHBondContact N-O 3.23Å; M535-V537 HydrophobicContact CB-CG2 4.35Å; M535-V537 PolarHBondContact O-N 3.21Å; M535-V537 VanDerWaalsContact O-N 3.15Å; V537-F693 HydrophobicContact CG2-CD2 4.35Å; V537-F695 HydrophobicContact CG1-CD2 4.3Å; V537-F695 HydrophobicContact CG1-CE2 4.08Å; V537-M708 HydrophobicContact CG1-CB 4.06Å; V537-M708 HydrophobicContact CG1-CE 4.26Å; V537-M708 HydrophobicContact CG1-CG 3.98Å; V537-A711 HydrophobicContact CG1-CB 4.35Å; V537-A711 HydrophobicContact CG2-CB 4.31Å; V537-V712 HydrophobicContact CG1-CG2 4.49Å; V537-L715 HydrophobicContact CG2-CD1 3.51Å
538	Y	97.7	Very high	94.9	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.5	-172	-58.3	-98.6	0	0	0	111	F529 R530 R531 L555 H562 A692 F693 F695	F529-Y538 HydrophobicContact CE1-CD1 4.47Å; F529-Y538 HydrophobicContact CE2-CD1 4.22Å; F529-Y538 AromaticContact CZ-CD1 3.71Å; F529-Y538 HydrophobicContact CZ-CD1 3.71Å; F529-Y538 HydrophobicContact CZ-CE1 4.16Å; R530-Y538 CarbonylContact O-C 3.56Å; R530-Y538 VanDerWaalsContact O-CA 3.26Å; R530-Y538 WeakPolarHBondContact O-CA 3.35Å; R531-Y538 HydrophobicContact CB-CD1 3.66Å; R531-Y538 HydrophobicContact CB-CE1 3.69Å; R531-Y538 HydrophobicContact CG-CD1 3.75Å; R531-Y538 HydrophobicContact CG-CE1 3.44Å; R531-Y538 VanDerWaalsContact CG-CE1 3.44Å; R531-Y538 HydrophobicContact CG-CE2 4.46Å; R531-Y538 HydrophobicContact CG-CG 4.4Å; Y538-L555 HydrophobicContact CD1-CD2 3.93Å; Y538-L555 HydrophobicContact CD2-CD2 3.86Å; Y538-L555 HydrophobicContact CE1-CD2 3.54Å; Y538-L555 HydrophobicContact CE2-CD2 3.5Å; Y538-L555 VanDerWaalsContact CE2-CD2 3.5Å; Y538-L555 HydrophobicContact CG-CD2 4.08Å; Y538-H562 AromaticContact CE2-NE2 3.93Å; Y538-H562 AromaticContact CZ-NE2 3.91Å; Y538-H562 PolarHBondContact OH-NE2 2.93Å; Y538-A692 HydrophobicContact CE2-CB 4.18Å; Y538-F693 PolarHBondContact N-O 2.94Å; Y538-F695 PolarHBondContact O-N 2.81Å
539	G	96.3	Very high	95.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.3	175.7	0	0	0	0	0	111.2	N528 F529 R530 F695 M708	N528-G539 VanDerWaalsContact O-O 3.13Å; F529-G539 CarbonylContact C-O 3.54Å; F529-G539 WeakPolarHBondContact CA-O 3.31Å; R530-G539 PolarHBondContact N-O 3.31Å; R530-G539 PolarHBondContact O-N 2.93Å; G539-F695 WeakPolarHBondContact CA-O 3.49Å; G539-M708 VanDerWaalsContact CA-SD 3.55Å
540	V	95.7	Very high	95.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.2	-179.6	-56.6	0	0	0	0	111.8	V526 F529 W567 V694 F695 N696 G700	V526-V540 HydrophobicContact CG1-CB 4.32Å; V526-V540 HydrophobicContact CG1-CG1 4.27Å; V526-V540 HydrophobicContact CG2-CB 4.32Å; F529-V540 HydrophobicContact CB-CG1 4.19Å; F529-V540 HydrophobicContact CD2-CG1 3.35Å; F529-V540 HydrophobicContact CE2-CG1 4.08Å; F529-V540 HydrophobicContact CG-CG1 4.16Å; V540-W567 HydrophobicContact CG2-CH2 4.2Å; V540-W567 HydrophobicContact CG2-CZ2 3.67Å; V540-V694 HydrophobicContact CG1-CG1 4.42Å; V540-V694 HydrophobicContact CG2-CG1 4.13Å; V540-F695 PolarHBondContact N-O 3.28Å; V540-N696 HydrophobicContact CG2-CB 3.49Å; V540-N696 VanDerWaalsContact CG2-CB 3.49Å; V540-N696 WeakPolarHBondContact O-CA 3.35Å; V540-G700 WeakPolarHBondContact O-CA 3.14Å
541	A	94.5	Very high	95.3	Very high	1 Å²	1	32 Å²	32	1%	0.008	17%	0.165	C	C	.	.			trans	-69.3	173.1	161.7	0	0	0	0	0	111.2	A514 V526 A527 P543 C697	A514-A541 HydrophobicContact CB-CB 4.43Å; V526-A541 HydrophobicContact CG2-CB 4.31Å; V526-A541 WeakPolarHBondContact CG2-O 3.38Å; A527-A541 HydrophobicContact CB-CB 3.83Å; A527-A541 WeakPolarHBondContact O-CB 3.33Å; A527-A541 PolarHBondContact O-N 3.5Å; A541-P543 WeakPolarHBondContact O-CD 3.47Å; A541-P543 VanDerWaalsContact O-N 3.14Å; A541-C697 CarbonylContact C-O 3.6Å
542	Q	94.1	Very high	95.4	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.047	15%	0.145	C	C	.	.			trans	-63.6	114.2	-179	178.1	62	59.6	0	0	109.9	N569 I582 N696 C697 A698	Q542-N569 PolarHBondContact OE1-ND2 3.19Å; Q542-I582 HydrophobicContact CG-CG1 4.38Å; Q542-I582 HydrophobicContact CG-CG2 3.86Å; Q542-N696 PolarHBondContact OE1-ND2 3.01Å; Q542-C697 PolarHBondContact N-O 3.33Å; Q542-A698 PolarHBondContact N-O 2.94Å
543	P	95.1	Very high	95.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	17%	0.166	C	C	.	.			trans	-87.3	156	-176.3	36.5	-37.9	0	0	0	112.2	V526 A541 A547 I548 W567	V526-P543 HydrophobicContact CB-CB 4.43Å; V526-P543 HydrophobicContact CG2-CB 3.96Å; A541-P543 WeakPolarHBondContact O-CD 3.47Å; A541-P543 VanDerWaalsContact O-N 3.14Å; P543-A547 HydrophobicContact CB-CB 3.87Å; P543-I548 HydrophobicContact CB-CG1 3.84Å; P543-I548 HydrophobicContact CG-CD1 3.97Å; P543-I548 HydrophobicContact CG-CG1 3.44Å; P543-I548 VanDerWaalsContact CG-CG1 3.44Å; P543-W567 HydrophobicContact CG-CH2 4.23Å; P543-W567 HydrophobicContact CG-CZ2 3.77Å
544	T	95.4	Very high	95.7	Very high	25 Å²	25	27.3 Å²	27.3	15%	0.153	15%	0.151	C	C	.	.			trans	-76.6	168.4	160.2	61.6	0	0	0	0	110.9	E546 A547 I548 E577 I582	T544-E546 VanDerWaalsContact C-N 3.27Å; T544-E546 PolarHBondContact O-N 3.48Å; T544-A547 PolarHBondContact O-N 2.86Å; T544-A547 VanDerWaalsContact O-N 3.13Å; T544-A547 WeakPolarHBondContact OG1-CB 3.46Å; T544-A547 PolarHBondContact OG1-N 3.02Å; T544-I548 WeakPolarHBondContact O-CG1 3.45Å; T544-I548 PolarHBondContact O-N 3.32Å; T544-E577 WeakPolarHBondContact CA-OE2 3.46Å; T544-I582 HydrophobicContact CG2-CG1 4.01Å
545	S	95.6	Very high	96	Very high	21 Å²	21	17.6 Å²	17.6	15%	0.147	11%	0.108	C	C	.	.	H	α-helix	trans	-56	-40.6	173.5	-175.7	0	0	0	0	112.4	I548 G549 E577 H649	S545-I548 PolarHBondContact O-N 2.87Å; S545-G549 PolarHBondContact O-N 3.44Å; S545-G549 VanDerWaalsContact O-N 3.14Å; S545-E577 WeakPolarHBondContact CB-OE1 3.18Å; S545-E577 WeakPolarHBondContact CB-OE2 3.45Å; S545-E577 PolarHBondContact N-OE2 3.06Å; S545-H649 PolarHBondContact O-CE1 2.88Å; S545-H649 PolarHBondContact O-NE2 3.48Å; S545-H649 PolarHBondContact OG-NE2 3.41Å
546	E	95.8	Very high	96.1	Very high	126 Å²	126	19.4 Å²	19.4	59%	0.589	12%	0.121	S	C	*	.	H	α-helix	trans	-63.4	-44.7	175.5	-175.9	-176.8	-176.3	0	0	111.5	K525 T544 G549 A550	K525-E546 HydrophobicContact CD-CG 3.91Å; K525-E546 IonicContact NZ-OE1 2.92Å; K525-E546 PolarHBondContact NZ-OE1 2.81Å; T544-E546 VanDerWaalsContact C-N 3.27Å; T544-E546 PolarHBondContact O-N 3.48Å; E546-G549 PolarHBondContact O-N 2.86Å; E546-A550 PolarHBondContact O-N 3.48Å
547	A	96.2	Very high	95.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.5	-36.4	-179.9	0	0	0	0	0	112.5	K525 V526 P543 T544 G549 A550 V551	K525-A547 HydrophobicContact CB-CB 3.97Å; K525-A547 VanDerWaalsContact O-CB 3.26Å; K525-A547 WeakPolarHBondContact O-CB 3.37Å; V526-A547 HydrophobicContact CB-CB 4.11Å; P543-A547 HydrophobicContact CB-CB 3.87Å; T544-A547 PolarHBondContact O-N 2.86Å; T544-A547 VanDerWaalsContact O-N 3.13Å; T544-A547 WeakPolarHBondContact OG1-CB 3.46Å; T544-A547 PolarHBondContact OG1-N 3.02Å; A547-G549 VanDerWaalsContact C-N 3.31Å; A547-G549 PolarHBondContact O-N 3.13Å; A547-A550 PolarHBondContact O-N 2.98Å; A547-V551 WeakPolarHBondContact O-CG2 3.25Å; A547-V551 PolarHBondContact O-N 3.36Å
548	I	97.3	Very high	95.6	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-56.9	-47.6	170.7	-70.5	165	0	0	0	109.8	P543 T544 S545 A550 V551 L552 W567 I645 F646	P543-I548 HydrophobicContact CB-CG1 3.84Å; P543-I548 HydrophobicContact CG-CD1 3.97Å; P543-I548 HydrophobicContact CG-CG1 3.44Å; P543-I548 VanDerWaalsContact CG-CG1 3.44Å; T544-I548 WeakPolarHBondContact O-CG1 3.45Å; T544-I548 PolarHBondContact O-N 3.32Å; S545-I548 PolarHBondContact O-N 2.87Å; I548-A550 VanDerWaalsContact C-N 3.33Å; I548-A550 PolarHBondContact O-N 3.17Å; I548-V551 PolarHBondContact O-N 2.97Å; I548-L552 HydrophobicContact CG2-CD1 3.72Å; I548-L552 HydrophobicContact CG2-CG 4.22Å; I548-L552 WeakPolarHBondContact O-CB 3.23Å; I548-L552 VanDerWaalsContact O-CG 3.28Å; I548-L552 WeakPolarHBondContact O-CG 3.44Å; I548-L552 PolarHBondContact O-N 3.01Å; I548-W567 HydrophobicContact CG1-CH2 4.42Å; I548-I645 HydrophobicContact CD1-CG2 3.6Å; I548-F646 HydrophobicContact CD1-CD2 4.31Å; I548-F646 HydrophobicContact CD1-CE1 4.38Å; I548-F646 HydrophobicContact CD1-CE2 3.72Å; I548-F646 HydrophobicContact CD1-CZ 3.74Å; I548-F646 HydrophobicContact CG1-CZ 4.19Å; I548-F646 HydrophobicContact CG2-CE1 4.23Å
549	G	96.4	Very high	95.3	Very high	21 Å²	21	35.8 Å²	35.8	22%	0.216	19%	0.194	C	C	.	.	H	α-helix	trans	-58.5	-42.9	176.8	0	0	0	0	0	113	S545 E546 A547 L552 A553	S545-G549 PolarHBondContact O-N 3.44Å; S545-G549 VanDerWaalsContact O-N 3.14Å; E546-G549 PolarHBondContact O-N 2.86Å; A547-G549 VanDerWaalsContact C-N 3.31Å; A547-G549 PolarHBondContact O-N 3.13Å; G549-L552 PolarHBondContact O-N 3.41Å; G549-A553 WeakPolarHBondContact O-CB 3.42Å; G549-A553 PolarHBondContact O-N 2.86Å
550	A	96.7	Very high	95.1	Very high	29 Å²	29	39.2 Å²	39.2	24%	0.24	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-43.4	177.1	0	0	0	0	0	112.6	K525 E546 A547 I548 H554	K525-A550 HydrophobicContact CB-CB 4.48Å; K525-A550 HydrophobicContact CD-CB 4.16Å; K525-A550 HydrophobicContact CG-CB 4.33Å; E546-A550 PolarHBondContact O-N 3.48Å; A547-A550 PolarHBondContact O-N 2.98Å; I548-A550 VanDerWaalsContact C-N 3.33Å; I548-A550 PolarHBondContact O-N 3.17Å; A550-H554 WeakPolarHBondContact O-CB 3.09Å; A550-H554 PolarHBondContact O-N 3.01Å
551	V	97.4	Very high	94.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-45.1	176.8	172.7	0	0	0	0	111	M524 V526 F529 A547 I548 A553 H554 L555 W567	M524-V551 HydrophobicContact CE-CB 4.4Å; M524-V551 HydrophobicContact CE-CG2 3.91Å; V526-V551 HydrophobicContact CG1-CG2 3.97Å; F529-V551 HydrophobicContact CD2-CG2 4.15Å; F529-V551 HydrophobicContact CE2-CG1 4Å; F529-V551 HydrophobicContact CE2-CG2 4.29Å; A547-V551 WeakPolarHBondContact O-CG2 3.25Å; A547-V551 PolarHBondContact O-N 3.36Å; I548-V551 PolarHBondContact O-N 2.97Å; V551-A553 PolarHBondContact O-N 2.92Å; V551-H554 WeakPolarHBondContact O-CB 3.48Å; V551-H554 PolarHBondContact O-N 3.38Å; V551-L555 HydrophobicContact CG1-CD1 3.9Å; V551-L555 HydrophobicContact CG1-CG 4.3Å; V551-L555 VanDerWaalsContact O-CG 3.28Å; V551-L555 WeakPolarHBondContact O-CG 3.23Å; V551-L555 PolarHBondContact O-N 2.81Å; V551-W567 HydrophobicContact CB-CH2 4.14Å; V551-W567 HydrophobicContact CB-CZ3 4.11Å; V551-W567 HydrophobicContact CG1-CH2 3.85Å; V551-W567 HydrophobicContact CG1-CZ3 3.63Å; V551-W567 HydrophobicContact CG2-CH2 4.46Å
552	L	97.1	Very high	94.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-47.4	177.8	-68.3	172.1	0	0	0	111.1	I548 G549 H554 L555 T556 V565 H649 L656	I548-L552 HydrophobicContact CG2-CD1 3.72Å; I548-L552 HydrophobicContact CG2-CG 4.22Å; I548-L552 WeakPolarHBondContact O-CB 3.23Å; I548-L552 VanDerWaalsContact O-CG 3.28Å; I548-L552 WeakPolarHBondContact O-CG 3.44Å; I548-L552 PolarHBondContact O-N 3.01Å; G549-L552 PolarHBondContact O-N 3.41Å; L552-H554 PolarHBondContact O-N 3.21Å; L552-L555 PolarHBondContact O-N 3.35Å; L552-T556 WeakPolarHBondContact O-CG2 3.25Å; L552-T556 PolarHBondContact O-N 3.35Å; L552-T556 PolarHBondContact O-OG1 3.02Å; L552-V565 HydrophobicContact CD2-CG1 4.3Å; L552-H649 HydrophobicContact CD1-CB 3.95Å; L552-L656 HydrophobicContact CD1-CD2 3.73Å; L552-L656 HydrophobicContact CD2-CD1 3.85Å; L552-L656 HydrophobicContact CD2-CD2 4.33Å
553	A	95.6	Very high	94.8	Very high	55 Å²	55	51.7 Å²	51.7	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-58.1	-37.4	175.7	0	0	0	0	0	112.6	G549 V551 D557	G549-A553 WeakPolarHBondContact O-CB 3.42Å; G549-A553 PolarHBondContact O-N 2.86Å; V551-A553 PolarHBondContact O-N 2.92Å; A553-D557 PolarHBondContact O-N 2.71Å
554	H	95.9	Very high	94.9	Very high	36 Å²	36	52.6 Å²	52.6	17%	0.167	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-39.7	174.6	175.8	103.9	0	0	0	112.6	M524 A550 V551 L552 R560	M524-H554 HydrophobicContact CE-CB 3.65Å; M524-H554 HydrophobicContact SD-CB 4.33Å; A550-H554 WeakPolarHBondContact O-CB 3.09Å; A550-H554 PolarHBondContact O-N 3.01Å; V551-H554 WeakPolarHBondContact O-CB 3.48Å; V551-H554 PolarHBondContact O-N 3.38Å; L552-H554 PolarHBondContact O-N 3.21Å; H554-R560 VanDerWaalsContact CE1-CZ 3.47Å; H554-R560 PolarHBondContact CE1-NH1 3.1Å; H554-R560 PolarHBondContact ND1-NH1 3.05Å; H554-R560 PolarHBondContact NE2-NH1 3.47Å; H554-R560 WeakPolarHBondContact O-CD 3.15Å; H554-R560 PolarHBondContact O-NH1 3.22Å; H554-R560 VanDerWaalsContact O-NH1 3.11Å
555	L	95.9	Very high	95	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-74.5	-35.9	-177.9	-67.7	173.7	0	0	0	112.4	Y538 V551 L552 D557 R560 H562 V565 V694	Y538-L555 HydrophobicContact CD1-CD2 3.93Å; Y538-L555 HydrophobicContact CD2-CD2 3.86Å; Y538-L555 HydrophobicContact CE1-CD2 3.54Å; Y538-L555 HydrophobicContact CE2-CD2 3.5Å; Y538-L555 VanDerWaalsContact CE2-CD2 3.5Å; Y538-L555 HydrophobicContact CG-CD2 4.08Å; V551-L555 HydrophobicContact CG1-CD1 3.9Å; V551-L555 HydrophobicContact CG1-CG 4.3Å; V551-L555 VanDerWaalsContact O-CG 3.28Å; V551-L555 WeakPolarHBondContact O-CG 3.23Å; V551-L555 PolarHBondContact O-N 2.81Å; L552-L555 PolarHBondContact O-N 3.35Å; L555-D557 VanDerWaalsContact C-N 3.33Å; L555-R560 WeakPolarHBondContact O-CB 3.44Å; L555-H562 WeakPolarHBondContact O-CB 3.17Å; L555-H562 PolarHBondContact O-CD2 3.46Å; L555-H562 PolarHBondContact O-N 3.27Å; L555-V565 HydrophobicContact CD1-CG1 4.1Å; L555-V565 HydrophobicContact CD1-CG2 4.41Å; L555-V694 HydrophobicContact CD1-CG2 3.58Å
556	T	94.3	Very high	95.2	Very high	59 Å²	59	50.7 Å²	50.7	36%	0.362	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	8.6	-179	67.3	0	0	0	0	113.2	L552 H562	L552-T556 WeakPolarHBondContact O-CG2 3.25Å; L552-T556 PolarHBondContact O-N 3.35Å; L552-T556 PolarHBondContact O-OG1 3.02Å; T556-H562 WeakPolarHBondContact CG2-O 3.32Å
557	D	93.7	Very high	95.3	Very high	42 Å²	42	44.7 Å²	44.7	23%	0.225	23%	0.231	C	C	.	.	S	Bend	trans	-67.9	168.1	-178.5	88.5	-14.3	0	0	0	112.7	A553 L555 K559 R560 K561	A553-D557 PolarHBondContact O-N 2.71Å; L555-D557 VanDerWaalsContact C-N 3.33Å; D557-K559 PolarHBondContact O-N 3.45Å; D557-K559 WeakPolarHBondContact OD1-CA 3.39Å; D557-K559 WeakPolarHBondContact OD1-CB 3.48Å; D557-K559 PolarHBondContact OD1-N 2.76Å; D557-R560 PolarHBondContact O-N 3.01Å; D557-R560 VanDerWaalsContact OD1-CD 3.26Å; D557-R560 WeakPolarHBondContact OD1-CD 3.38Å; D557-R560 IonicContact OD1-CZ 3.73Å; D557-R560 PolarHBondContact OD1-N 3.35Å; D557-R560 IonicContact OD1-NE 2.63Å; D557-R560 IonicContact OD1-NH1 2.74Å; D557-R560 IonicContact OD2-CZ 2.64Å; D557-R560 VanDerWaalsContact OD2-CZ 3.23Å; D557-R560 IonicContact OD2-NE 3.54Å; D557-R560 IonicContact OD2-NH1 3.8Å; D557-R560 PolarHBondContact OD2-NH1 3Å; D557-R560 IonicContact OD2-NH2 3.91Å; D557-K561 WeakPolarHBondContact O-CA 3.48Å; D557-K561 PolarHBondContact O-N 3.28Å
558	E	90.5	Very high	95.4	Very high	151 Å²	151	44.7 Å²	44.7	71%	0.706	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-15.1	178.9	-75.9	-61.9	148.1	0	0	114.2	K561	E558-K561 WeakPolarHBondContact O-CE 3.44Å; E558-K561 WeakPolarHBondContact O-CG 3.4Å; E558-K561 VanDerWaalsContact OE2-CE 3.26Å; E558-K561 WeakPolarHBondContact OE2-CE 3.45Å; E558-K561 IonicContact OE2-NZ 3.68Å; E558-K561 PolarHBondContact OE2-NZ 3.47Å
559	K	91.6	Very high	95.3	Very high	174 Å²	174	44.7 Å²	44.7	76%	0.757	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-38.4	179.2	-63.9	179.3	178.9	176.9	0	111.7	D557	D557-K559 PolarHBondContact O-N 3.45Å; D557-K559 WeakPolarHBondContact OD1-CA 3.39Å; D557-K559 WeakPolarHBondContact OD1-CB 3.48Å; D557-K559 PolarHBondContact OD1-N 2.76Å
560	R	92.4	Very high	95.2	Very high	72 Å²	72	43.7 Å²	43.7	27%	0.272	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-34.5	-173.8	-66.4	124.3	-150.7	158.6	5.5	112.9	H554 L555 D557 H562	H554-R560 VanDerWaalsContact CE1-CZ 3.47Å; H554-R560 PolarHBondContact CE1-NH1 3.1Å; H554-R560 PolarHBondContact ND1-NH1 3.05Å; H554-R560 PolarHBondContact NE2-NH1 3.47Å; H554-R560 WeakPolarHBondContact O-CD 3.15Å; H554-R560 PolarHBondContact O-NH1 3.22Å; H554-R560 VanDerWaalsContact O-NH1 3.11Å; L555-R560 WeakPolarHBondContact O-CB 3.44Å; D557-R560 PolarHBondContact O-N 3.01Å; D557-R560 VanDerWaalsContact OD1-CD 3.26Å; D557-R560 WeakPolarHBondContact OD1-CD 3.38Å; D557-R560 IonicContact OD1-CZ 3.73Å; D557-R560 PolarHBondContact OD1-N 3.35Å; D557-R560 IonicContact OD1-NE 2.63Å; D557-R560 IonicContact OD1-NH1 2.74Å; D557-R560 IonicContact OD2-CZ 2.64Å; D557-R560 VanDerWaalsContact OD2-CZ 3.23Å; D557-R560 IonicContact OD2-NE 3.54Å; D557-R560 IonicContact OD2-NH1 3.8Å; D557-R560 PolarHBondContact OD2-NH1 3Å; D557-R560 IonicContact OD2-NH2 3.91Å; R560-H562 PolarHBondContact O-N 3.14Å
561	K	92.4	Very high	94.9	Very high	122 Å²	122	42.3 Å²	42.3	53%	0.53	21%	0.209	S	C	.	.			trans	53	35.8	172.4	-54.2	-167.4	177.5	-146.6	0	114.3	D557 E558 N563	D557-K561 WeakPolarHBondContact O-CA 3.48Å; D557-K561 PolarHBondContact O-N 3.28Å; E558-K561 WeakPolarHBondContact O-CE 3.44Å; E558-K561 WeakPolarHBondContact O-CG 3.4Å; E558-K561 VanDerWaalsContact OE2-CE 3.26Å; E558-K561 WeakPolarHBondContact OE2-CE 3.45Å; E558-K561 IonicContact OE2-NZ 3.68Å; E558-K561 PolarHBondContact OE2-NZ 3.47Å; K561-N563 PolarHBondContact O-N 3.17Å
562	H	94.5	Very high	94.4	Very high	19 Å²	19	43.4 Å²	43.4	9%	0.088	21%	0.214	C	C	.	.			trans	-74.7	113	174	-61.8	-53.9	0	0	0	109	Y538 L555 T556 R560 V565 A692	Y538-H562 AromaticContact CE2-NE2 3.93Å; Y538-H562 AromaticContact CZ-NE2 3.91Å; Y538-H562 PolarHBondContact OH-NE2 2.93Å; L555-H562 WeakPolarHBondContact O-CB 3.17Å; L555-H562 PolarHBondContact O-CD2 3.46Å; L555-H562 PolarHBondContact O-N 3.27Å; T556-H562 WeakPolarHBondContact CG2-O 3.32Å; R560-H562 PolarHBondContact O-N 3.14Å; H562-V565 HydrophobicContact CB-CG2 4.48Å; H562-A692 HydrophobicContact CB-CB 3.92Å
563	N	91.1	Very high	94.1	Very high	132 Å²	132	43.5 Å²	43.5	71%	0.706	22%	0.215	S	C	*	.			trans	-90	-25.2	178.6	-64.5	-32.5	0	0	0	112.5	K561	K561-N563 PolarHBondContact O-N 3.17Å
564	H	97.2	Very high	93.9	Very high	20 Å²	20	42.2 Å²	42.2	9%	0.093	20%	0.2	C	C	.	.			trans	-118.5	131.7	175.9	-166.4	98.3	0	0	0	110	G655 E687 D688 T691 A692	H564-G655 WeakPolarHBondContact CA-O 3.49Å; H564-E687 IonicContact CE1-OE2 2.87Å; H564-E687 PolarHBondContact CE1-OE2 3.39Å; H564-E687 IonicContact NE2-OE2 3.16Å; H564-D688 HydrophobicContact CB-CB 3.76Å; H564-D688 WeakPolarHBondContact CB-OD2 3.34Å; H564-T691 PolarHBondContact CD2-OG1 3Å; H564-T691 WeakPolarHBondContact O-CA 3.41Å; H564-A692 PolarHBondContact O-N 3.22Å
565	V	98.2	Very high	93.8	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.024	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	115.3	-178.9	-177.7	0	0	0	0	109	L552 L555 H562 G655 L656 V657 A692 V694	L552-V565 HydrophobicContact CD2-CG1 4.3Å; L555-V565 HydrophobicContact CD1-CG1 4.1Å; L555-V565 HydrophobicContact CD1-CG2 4.41Å; H562-V565 HydrophobicContact CB-CG2 4.48Å; V565-G655 PolarHBondContact N-O 3.02Å; V565-L656 HydrophobicContact CB-CD1 4.23Å; V565-L656 HydrophobicContact CG1-CD1 4.23Å; V565-V657 PolarHBondContact O-N 3.14Å; V565-A692 CarbonylContact C-O 3.59Å; V565-A692 WeakPolarHBondContact CA-O 3.45Å; V565-A692 HydrophobicContact CG2-CB 4.41Å; V565-V694 HydrophobicContact CG1-CG2 3.95Å
566	L	98.5	Very high	93.8	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	109.7	167.6	-179.5	64.1	0	0	0	109.3	I568 V657 K659 A680 A684 T691 A692 F693 V694	L566-I568 HydrophobicContact CD1-CG1 4.35Å; L566-I568 HydrophobicContact CD2-CD1 3.8Å; L566-I568 HydrophobicContact CD2-CG1 4.15Å; L566-I568 HydrophobicContact CG-CD1 4.13Å; L566-I568 HydrophobicContact CG-CG1 3.89Å; L566-V657 HydrophobicContact CD1-CB 3.88Å; L566-V657 HydrophobicContact CD1-CG1 3.67Å; L566-K659 HydrophobicContact CD1-CD 4.28Å; L566-K659 HydrophobicContact CD1-CG 4.29Å; L566-A680 HydrophobicContact CD2-CB 4.33Å; L566-A680 WeakPolarHBondContact CD2-O 3.44Å; L566-A684 HydrophobicContact CB-CB 4.14Å; L566-A684 HydrophobicContact CD2-CB 3.74Å; L566-A684 HydrophobicContact CG-CB 4.41Å; L566-T691 HydrophobicContact CB-CG2 3.99Å; L566-A692 PolarHBondContact N-O 3.09Å; L566-F693 HydrophobicContact CB-CD1 4.02Å; L566-F693 HydrophobicContact CB-CE1 4.22Å; L566-F693 HydrophobicContact CD2-CD1 3.89Å; L566-F693 HydrophobicContact CD2-CE1 3.85Å; L566-F693 HydrophobicContact CG-CD1 4.39Å; L566-F693 WeakPolarHBondContact O-CA 3.28Å; L566-V694 PolarHBondContact O-N 3.31Å
567	W	98.5	Very high	93.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118	174.2	-162.8	-59.9	0	0	0	110.5	V540 P543 I548 V551 F646 L656 V657 Y658 K659 V694 N696	V540-W567 HydrophobicContact CG2-CH2 4.2Å; V540-W567 HydrophobicContact CG2-CZ2 3.67Å; P543-W567 HydrophobicContact CG-CH2 4.23Å; P543-W567 HydrophobicContact CG-CZ2 3.77Å; I548-W567 HydrophobicContact CG1-CH2 4.42Å; V551-W567 HydrophobicContact CB-CH2 4.14Å; V551-W567 HydrophobicContact CB-CZ3 4.11Å; V551-W567 HydrophobicContact CG1-CH2 3.85Å; V551-W567 HydrophobicContact CG1-CZ3 3.63Å; V551-W567 HydrophobicContact CG2-CH2 4.46Å; W567-F646 HydrophobicContact CB-CE1 3.84Å; W567-F646 HydrophobicContact CB-CZ 4.33Å; W567-F646 AromaticContact CD1-CE1 3.9Å; W567-F646 AromaticContact CD1-CZ 3.49Å; W567-F646 VanDerWaalsContact CD1-CZ 3.49Å; W567-F646 AromaticContact CD2-CE1 3.6Å; W567-F646 HydrophobicContact CD2-CE1 3.6Å; W567-F646 AromaticContact CD2-CZ 3.58Å; W567-F646 HydrophobicContact CD2-CZ 3.58Å; W567-F646 AromaticContact CE2-CZ 3.62Å; W567-F646 AromaticContact CE3-CE1 3.99Å; W567-F646 HydrophobicContact CE3-CE1 3.99Å; W567-F646 HydrophobicContact CE3-CZ 4.27Å; W567-F646 AromaticContact CG-CE1 3.49Å; W567-F646 HydrophobicContact CG-CE1 3.49Å; W567-F646 VanDerWaalsContact CG-CE1 3.49Å; W567-F646 AromaticContact CG-CZ 3.55Å; W567-F646 HydrophobicContact CG-CZ 3.55Å; W567-F646 HydrophobicContact CZ2-CZ 4.33Å; W567-F646 AromaticContact NE1-CZ 3.55Å; W567-L656 HydrophobicContact CB-CD1 4.28Å; W567-V657 PolarHBondContact N-O 2.98Å; W567-Y658 HydrophobicContact CB-CD2 4.46Å; W567-Y658 WeakPolarHBondContact O-CA 3.47Å; W567-K659 PolarHBondContact O-N 3.5Å; W567-V694 CarbonylContact C-O 3.05Å; W567-V694 WeakPolarHBondContact CA-O 3.23Å; W567-V694 HydrophobicContact CD2-CB 3.79Å; W567-V694 HydrophobicContact CD2-CG1 3.74Å; W567-V694 HydrophobicContact CD2-CG2 4.49Å; W567-V694 HydrophobicContact CE3-CB 3.8Å; W567-V694 HydrophobicContact CE3-CG1 3.77Å; W567-V694 HydrophobicContact CE3-CG2 4.01Å; W567-V694 HydrophobicContact CG-CB 4.19Å; W567-V694 HydrophobicContact CG-CG1 4.5Å; W567-V694 HydrophobicContact CH2-CG1 3.74Å; W567-V694 HydrophobicContact CZ2-CG1 3.67Å; W567-V694 HydrophobicContact CZ3-CB 4.27Å; W567-V694 HydrophobicContact CZ3-CG1 3.79Å; W567-V694 HydrophobicContact CZ3-CG2 4.32Å; W567-N696 PolarHBondContact NE1-OD1 3.46Å
568	I	98.2	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.8	178.8	-53.7	-172.3	0	0	0	109.9	L566 V570 K659 I661 L677 A680 V694 F695 N696	L566-I568 HydrophobicContact CD1-CG1 4.35Å; L566-I568 HydrophobicContact CD2-CD1 3.8Å; L566-I568 HydrophobicContact CD2-CG1 4.15Å; L566-I568 HydrophobicContact CG-CD1 4.13Å; L566-I568 HydrophobicContact CG-CG1 3.89Å; I568-V570 HydrophobicContact CG2-CG1 3.85Å; I568-K659 WeakPolarHBondContact CA-O 3.47Å; I568-I661 HydrophobicContact CD1-CD1 4.3Å; I568-I661 HydrophobicContact CG2-CB 4.11Å; I568-I661 HydrophobicContact CG2-CD1 3.88Å; I568-I661 HydrophobicContact CG2-CG1 4.03Å; I568-L677 HydrophobicContact CD1-CD2 4.41Å; I568-L677 HydrophobicContact CG2-CD2 4.19Å; I568-A680 HydrophobicContact CD1-CB 4Å; I568-V694 PolarHBondContact N-O 3.14Å; I568-F695 HydrophobicContact CB-CD1 3.86Å; I568-F695 HydrophobicContact CB-CE1 3.98Å; I568-F695 HydrophobicContact CD1-CE1 3.79Å; I568-F695 HydrophobicContact CD1-CZ 4.43Å; I568-F695 HydrophobicContact CG1-CE1 4.2Å; I568-F695 HydrophobicContact CG2-CD1 4.37Å; I568-F695 HydrophobicContact CG2-CE1 4.48Å; I568-F695 WeakPolarHBondContact O-CA 3.43Å; I568-N696 PolarHBondContact O-N 2.95Å; I568-N696 VanDerWaalsContact O-N 3.09Å
569	N	96	Very high	94	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.4	170.2	-176.6	-6.4	0	0	0	109.8	Q542 H571 Y658 K659 R660 I661 N696	Q542-N569 PolarHBondContact OE1-ND2 3.19Å; N569-H571 WeakPolarHBondContact OD1-CB 3.38Å; N569-H571 PolarHBondContact OD1-N 2.94Å; N569-Y658 HydrophobicContact CB-CE2 3.68Å; N569-Y658 PolarHBondContact ND2-OH 3.37Å; N569-K659 PolarHBondContact N-O 3.27Å; N569-R660 PolarHBondContact ND2-NH1 3.27Å; N569-R660 CarbonylContact O-C 3.42Å; N569-R660 WeakPolarHBondContact O-CA 3.45Å; N569-R660 WeakPolarHBondContact O-CD 3.48Å; N569-I661 PolarHBondContact O-N 3.22Å; N569-N696 WeakPolarHBondContact CA-OD1 3.47Å; N569-N696 VanDerWaalsContact CB-OD1 3.24Å; N569-N696 WeakPolarHBondContact CB-OD1 3.12Å; N569-N696 PolarHBondContact OD1-ND2 2.81Å; N569-N696 PolarHBondContact OD1-O 2.77Å
570	V	94.3	Very high	94	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.			trans	-103.6	11	-178.3	-60.6	0	0	0	0	114.1	I568 I661 L663 L677 N696 C697 R703 A707	I568-V570 HydrophobicContact CG2-CG1 3.85Å; V570-I661 WeakPolarHBondContact CA-O 3.35Å; V570-L663 HydrophobicContact CB-CB 4.3Å; V570-L663 HydrophobicContact CB-CD1 3.81Å; V570-L663 HydrophobicContact CB-CG 3.81Å; V570-L663 HydrophobicContact CG1-CD1 3.92Å; V570-L663 HydrophobicContact CG1-CG 4.12Å; V570-L663 HydrophobicContact CG2-CD1 4.25Å; V570-L663 PolarHBondContact O-N 2.88Å; V570-L677 HydrophobicContact CG1-CD2 4.36Å; V570-N696 VanDerWaalsContact CG2-O 3.27Å; V570-N696 WeakPolarHBondContact CG2-O 3.47Å; V570-N696 PolarHBondContact N-O 2.93Å; V570-C697 HydrophobicContact CG2-CB 3.93Å; V570-R703 HydrophobicContact CG2-CB 3.83Å; V570-A707 HydrophobicContact CG1-CB 4.06Å
571	H	88.7	Confident	94	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.			trans	-70.6	139.4	174.9	-164.4	-151.6	0	0	0	110.2	N569 E573 R660	N569-H571 WeakPolarHBondContact OD1-CB 3.38Å; N569-H571 PolarHBondContact OD1-N 2.94Å; H571-E573 IonicContact CD2-OE1 2.86Å; H571-E573 IonicContact CD2-OE2 2.71Å; H571-E573 PolarHBondContact CD2-OE2 2.88Å; H571-E573 IonicContact CG-OE2 2.68Å; H571-E573 VanDerWaalsContact NE2-CD 3.3Å; H571-E573 IonicContact NE2-OE1 2.89Å; H571-E573 IonicContact NE2-OE2 3.49Å; H571-E573 PolarHBondContact NE2-OE2 3.29Å; H571-E573 VanDerWaalsContact NE2-OE2 3.16Å; H571-R660 VanDerWaalsContact C-NH2 3.27Å; H571-R660 PolarHBondContact O-NE 3.06Å; H571-R660 PolarHBondContact O-NH2 3.39Å
572	E	87.8	Confident	94.1	Very high	23 Å²	23	19.8 Å²	19.8	11%	0.107	11%	0.111	C	C	.	.			trans	-104.4	-12.9	-179.1	67.2	-176.7	153	0	0	113.3	P596 P662 P664 D665	E572-P596 HydrophobicContact CG-CB 4.49Å; E572-P662 HydrophobicContact CB-CB 3.76Å; E572-P664 WeakPolarHBondContact OE1-CA 3.36Å; E572-P664 WeakPolarHBondContact OE2-CA 3.2Å; E572-D665 PolarHBondContact OE1-N 3.48Å
573	E	89.9	Confident	94.1	Very high	2 Å²	2	19 Å²	19	1%	0.009	11%	0.108	C	C	.	.	S	Bend	trans	-86.2	153.7	-179.3	-53.9	87.5	136.6	0	0	111	H571 A575 I584 P594 R660 R703	H571-E573 IonicContact CD2-OE1 2.86Å; H571-E573 IonicContact CD2-OE2 2.71Å; H571-E573 PolarHBondContact CD2-OE2 2.88Å; H571-E573 IonicContact CG-OE2 2.68Å; H571-E573 VanDerWaalsContact NE2-CD 3.3Å; H571-E573 IonicContact NE2-OE1 2.89Å; H571-E573 IonicContact NE2-OE2 3.49Å; H571-E573 PolarHBondContact NE2-OE2 3.29Å; H571-E573 VanDerWaalsContact NE2-OE2 3.16Å; E573-A575 PolarHBondContact O-N 3.3Å; E573-I584 HydrophobicContact CB-CG2 4.18Å; E573-P594 HydrophobicContact CG-CB 3.84Å; E573-P594 WeakPolarHBondContact OE1-CB 3.37Å; E573-R660 PolarHBondContact O-NH2 3.16Å; E573-R703 IonicContact OE1-CZ 3.86Å; E573-R703 IonicContact OE1-NH1 3.2Å; E573-R703 PolarHBondContact OE1-NH1 3.4Å; E573-R703 IonicContact OE1-NH2 3.55Å; E573-R703 PolarHBondContact OE1-NH2 3.17Å; E573-R703 IonicContact OE2-CZ 2.59Å; E573-R703 IonicContact OE2-NH1 3.21Å; E573-R703 PolarHBondContact OE2-NH1 2.92Å; E573-R703 IonicContact OE2-NH2 3.69Å
574	L	93	Very high	94.2	Very high	29 Å²	29	12.7 Å²	12.7	15%	0.152	7%	0.074	C	C	.	.			trans	-68.2	128.8	171.7	-54.9	-179.1	0	0	0	109.7	I584 P585 V597 L605 L608 E609 L612	L574-I584 WeakPolarHBondContact O-CG2 3.43Å; L574-P585 VanDerWaalsContact O-CD 3.24Å; L574-P585 WeakPolarHBondContact O-CD 3.35Å; L574-V597 HydrophobicContact CD2-CG2 3.91Å; L574-V597 HydrophobicContact CG-CG2 3.82Å; L574-L605 HydrophobicContact CD2-CD2 4.19Å; L574-L608 HydrophobicContact CD1-CB 4.23Å; L574-L608 HydrophobicContact CD2-CB 3.75Å; L574-E609 HydrophobicContact CB-CG 4.25Å; L574-E609 HydrophobicContact CD2-CG 3.76Å; L574-L612 HydrophobicContact CB-CD2 4.44Å; L574-L612 HydrophobicContact CD1-CD2 4.29Å
575	A	93.1	Very high	94	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.073	C	C	.	.			trans	-133.1	139.6	176.1	0	0	0	0	0	110.8	E573 I582 I584 E609 I642	E573-A575 PolarHBondContact O-N 3.3Å; A575-I582 HydrophobicContact CB-CG2 4.48Å; A575-I584 HydrophobicContact CB-CG1 4.37Å; A575-E609 PolarHBondContact N-OE1 2.89Å; A575-I642 HydrophobicContact CB-CD1 4.26Å; A575-I642 HydrophobicContact CB-CG1 4.13Å; A575-I642 WeakPolarHBondContact O-CG1 3.43Å
576	L	95.3	Very high	93.7	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.021	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.8	-179.5	-63	174	0	0	0	110.3	I582 F583 E609 L612 K613 I616 T641	L576-I582 CarbonylContact O-C 3.49Å; L576-I582 WeakPolarHBondContact O-CA 3.46Å; L576-F583 PolarHBondContact N-O 2.72Å; L576-F583 PolarHBondContact O-N 2.99Å; L576-E609 HydrophobicContact CD2-CB 4.09Å; L576-L612 HydrophobicContact CD1-CB 4.03Å; L576-L612 HydrophobicContact CD1-CD2 3.59Å; L576-L612 HydrophobicContact CD1-CG 3.61Å; L576-L612 HydrophobicContact CG-CD2 4.39Å; L576-K613 HydrophobicContact CD1-CB 4.33Å; L576-K613 HydrophobicContact CD2-CB 4.22Å; L576-I616 HydrophobicContact CD1-CD1 3.76Å; L576-T641 HydrophobicContact CD2-CG2 3.85Å
577	E	95.9	Very high	93.3	Very high	21 Å²	21	12.4 Å²	12.4	10%	0.098	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.1	168.4	-172.7	174.9	108.9	0	0	110	T544 S545 Q581 I582 C639 L640 I645	T544-E577 WeakPolarHBondContact CA-OE2 3.46Å; S545-E577 WeakPolarHBondContact CB-OE1 3.18Å; S545-E577 WeakPolarHBondContact CB-OE2 3.45Å; S545-E577 PolarHBondContact N-OE2 3.06Å; E577-Q581 CarbonylContact C-O 3.6Å; E577-Q581 WeakPolarHBondContact CA-O 3.5Å; E577-I582 HydrophobicContact CB-CD1 3.81Å; E577-I582 HydrophobicContact CG-CD1 4.2Å; E577-C639 CarbonylContact O-C 3.53Å; E577-C639 VanDerWaalsContact O-CA 3.23Å; E577-C639 WeakPolarHBondContact O-CA 2.82Å; E577-L640 PolarHBondContact N-O 3.36Å; E577-L640 PolarHBondContact O-N 2.85Å; E577-I645 HydrophobicContact CB-CD1 3.56Å; E577-I645 HydrophobicContact CG-CD1 4.42Å
578	G	94.7	Very high	92.8	Very high	1 Å²	1	15 Å²	15	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.5	177.4	0	0	0	0	0	111.3	G580 Q581 F583 S638	G578-G580 PolarHBondContact O-N 3.49Å; G578-G580 VanDerWaalsContact O-N 3.14Å; G578-Q581 PolarHBondContact N-O 2.84Å; G578-Q581 PolarHBondContact O-N 3.48Å; G578-Q581 VanDerWaalsContact O-N 3.11Å; G578-F583 WeakPolarHBondContact O-CE2 3.25Å; G578-S638 WeakPolarHBondContact CA-O 3.44Å
579	N	92.8	Very high	92.2	Very high	65 Å²	65	19.6 Å²	19.6	35%	0.348	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	35.8	-176.7	-60.7	-22.1	0	0	0	113.8	M635 K637 S638	N579-M635 PolarHBondContact ND2-O 3.43Å; N579-K637 PolarHBondContact OD1-N 2.89Å; N579-S638 PolarHBondContact N-O 2.85Å; N579-S638 PolarHBondContact OD1-N 3.39Å
580	G	91.4	Very high	91.6	Very high	41 Å²	41	20.5 Å²	20.5	42%	0.423	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	5.5	178.4	0	0	0	0	0	116.2	G578	G578-G580 PolarHBondContact O-N 3.49Å; G578-G580 VanDerWaalsContact O-N 3.14Å
581	Q	92.7	Very high	91.3	Very high	46 Å²	46	22.5 Å²	22.5	22%	0.215	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.9	174.9	-66.2	-175.1	-65.9	0	0	111.1	E511 E577 G578 F583	E511-Q581 PolarHBondContact OE2-NE2 3.28Å; E577-Q581 CarbonylContact C-O 3.6Å; E577-Q581 WeakPolarHBondContact CA-O 3.5Å; G578-Q581 PolarHBondContact N-O 2.84Å; G578-Q581 PolarHBondContact O-N 3.48Å; G578-Q581 VanDerWaalsContact O-N 3.11Å; Q581-F583 HydrophobicContact CB-CD2 4.46Å; Q581-F583 HydrophobicContact CB-CE2 3.73Å; Q581-F583 HydrophobicContact CB-CZ 4.07Å; Q581-F583 VanDerWaalsContact O-CD2 3.32Å; Q581-F583 WeakPolarHBondContact O-CD2 3.42Å
582	I	94.2	Very high	90.9	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129.8	175.1	-59.4	-58.7	0	0	0	110.2	A509 D510 Q542 T544 A575 L576 E577 I642	A509-I582 WeakPolarHBondContact CA-O 3.25Å; D510-I582 HydrophobicContact CB-CB 3.95Å; D510-I582 HydrophobicContact CB-CG2 3.79Å; D510-I582 PolarHBondContact N-O 3.11Å; Q542-I582 HydrophobicContact CG-CG1 4.38Å; Q542-I582 HydrophobicContact CG-CG2 3.86Å; T544-I582 HydrophobicContact CG2-CG1 4.01Å; A575-I582 HydrophobicContact CB-CG2 4.48Å; L576-I582 CarbonylContact O-C 3.49Å; L576-I582 WeakPolarHBondContact O-CA 3.46Å; E577-I582 HydrophobicContact CB-CD1 3.81Å; E577-I582 HydrophobicContact CG-CD1 4.2Å; I582-I642 HydrophobicContact CD1-CD1 4.07Å
583	F	93.9	Very high	90.7	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.013	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.9	175.6	-69.1	-79.3	0	0	0	111.6	L507 V508 A509 L576 G578 Q581 V625 L627 K634 F636	L507-F583 HydrophobicContact CB-CB 4.08Å; L507-F583 HydrophobicContact CB-CD1 3.88Å; L507-F583 HydrophobicContact CB-CG 4.22Å; L507-F583 HydrophobicContact CD1-CB 4.26Å; L507-F583 HydrophobicContact CD1-CG 4.41Å; L507-F583 HydrophobicContact CD2-CB 4.2Å; L507-F583 HydrophobicContact CG-CB 4.39Å; V508-F583 WeakPolarHBondContact O-CA 3.34Å; A509-F583 HydrophobicContact CB-CD1 4.31Å; A509-F583 HydrophobicContact CB-CE1 3.99Å; L576-F583 PolarHBondContact N-O 2.72Å; L576-F583 PolarHBondContact O-N 2.99Å; G578-F583 WeakPolarHBondContact O-CE2 3.25Å; Q581-F583 HydrophobicContact CB-CD2 4.46Å; Q581-F583 HydrophobicContact CB-CE2 3.73Å; Q581-F583 HydrophobicContact CB-CZ 4.07Å; Q581-F583 VanDerWaalsContact O-CD2 3.32Å; Q581-F583 WeakPolarHBondContact O-CD2 3.42Å; F583-V625 HydrophobicContact CE1-CB 4.09Å; F583-V625 HydrophobicContact CE1-CG1 4.26Å; F583-L627 HydrophobicContact CE1-CD2 3.82Å; F583-L627 HydrophobicContact CZ-CD2 4.14Å; F583-K634 HydrophobicContact CZ-CD 4.42Å; F583-F636 AromaticContact CD2-CE1 3.73Å; F583-F636 HydrophobicContact CD2-CE1 3.73Å; F583-F636 HydrophobicContact CD2-CZ 4.08Å; F583-F636 AromaticContact CE2-CE1 3.55Å; F583-F636 HydrophobicContact CE2-CE1 3.55Å; F583-F636 AromaticContact CE2-CZ 3.95Å; F583-F636 HydrophobicContact CE2-CZ 3.95Å; F583-F636 HydrophobicContact CG-CZ 4.48Å; F583-F636 HydrophobicContact CZ-CE1 4.23Å; F583-F636 HydrophobicContact CZ-CZ 4.24Å
584	I	93.2	Very high	90.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131	177.4	-52.1	175.2	0	0	0	108.6	V508 D510 L513 E573 L574 A575	V508-I584 PolarHBondContact N-O 2.99Å; V508-I584 PolarHBondContact O-N 3.27Å; D510-I584 HydrophobicContact CB-CD1 4.31Å; D510-I584 VanDerWaalsContact OD1-CD1 3.25Å; D510-I584 WeakPolarHBondContact OD1-CD1 3.14Å; L513-I584 HydrophobicContact CD1-CD1 4.44Å; E573-I584 HydrophobicContact CB-CG2 4.18Å; L574-I584 WeakPolarHBondContact O-CG2 3.43Å; A575-I584 HydrophobicContact CB-CG1 4.37Å
585	P	93.8	Very high	90.3	Very high	10 Å²	10	29.2 Å²	29.2	7%	0.065	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	140.8	174.3	-23.3	35	0	0	0	113.1	V506 L507 L574 L612	V506-P585 WeakPolarHBondContact O-CA 3.37Å; L507-P585 HydrophobicContact CD2-CG 4.15Å; L574-P585 VanDerWaalsContact O-CD 3.24Å; L574-P585 WeakPolarHBondContact O-CD 3.35Å; P585-L612 HydrophobicContact CG-CD2 3.52Å
586	R	92	Very high	90	Very high	8 Å²	8	30.3 Å²	30.3	3%	0.03	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.9	176.5	-63.4	-68.6	178.8	-113.4	8.4	111.6	R505 V506 V508 L591 Q593 P594	R505-R586 WeakPolarHBondContact CA-O 3.36Å; V506-R586 PolarHBondContact N-O 2.87Å; V506-R586 PolarHBondContact O-N 2.71Å; V508-R586 HydrophobicContact CB-CG 3.96Å; V508-R586 HydrophobicContact CG2-CB 3.77Å; V508-R586 HydrophobicContact CG2-CG 3.51Å; R586-L591 HydrophobicContact CB-CD2 4.27Å; R586-L591 WeakPolarHBondContact CD-O 3.42Å; R586-Q593 WeakPolarHBondContact CD-O 3.4Å; R586-P594 VanDerWaalsContact CZ-CA 3.45Å
587	E	90.4	Very high	89.6	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-78.9	133.3	169	-68.8	-66.2	149.4	0	0	109.2	R505 S589 C590 I595 L884 R887	R505-E587 IonicContact CZ-OE1 3.7Å; R505-E587 IonicContact NE-OE1 2.71Å; R505-E587 PolarHBondContact NE-OE1 2.94Å; R505-E587 IonicContact NH2-OE1 3.94Å; R505-E587 PolarHBondContact NH2-OE1 2.79Å; E587-S589 PolarHBondContact O-N 3.35Å; E587-S589 VanDerWaalsContact O-N 3.09Å; E587-C590 CarbonylContact O-C 3.58Å; E587-C590 PolarHBondContact O-N 3.48Å; E587-I595 HydrophobicContact CG-CD1 4.11Å; E587-L884 HydrophobicContact CB-CD2 4.25Å; E587-L884 HydrophobicContact CG-CB 4.46Å; E587-L884 HydrophobicContact CG-CD2 3.85Å; E587-L884 HydrophobicContact CG-CG 4.5Å; E587-R887 IonicContact OE1-NE 2.71Å; E587-R887 PolarHBondContact OE1-NE 3.25Å; E587-R887 IonicContact OE2-CZ 3.83Å; E587-R887 IonicContact OE2-NE 2.85Å; E587-R887 PolarHBondContact OE2-NE 2.91Å; E587-R887 IonicContact OE2-NH2 3.32Å; E587-R887 PolarHBondContact OE2-NH2 2.9Å
588	P	88.1	Confident	89.2	Confident	54 Å²	54	30.5 Å²	30.5	35%	0.351	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.6	-175.9	-25.1	33.5	0	0	0	114.6	A504 V506	A504-P588 WeakPolarHBondContact O-CD 3.17Å; V506-P588 HydrophobicContact CG1-CG 4.11Å; V506-P588 HydrophobicContact CG2-CG 4.39Å
589	S	85.3	Confident	88.8	Confident	98 Å²	98	31 Å²	31	69%	0.685	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.8	179	53	0	0	0	0	114	E587	E587-S589 PolarHBondContact O-N 3.35Å; E587-S589 VanDerWaalsContact O-N 3.09Å
590	C	83.9	Confident	88.3	Confident	19 Å²	19	28.7 Å²	28.7	13%	0.128	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-153.3	74.2	-173.3	47.7	0	0	0	0	111.2	E587 D592 Q593 L884	E587-C590 CarbonylContact O-C 3.58Å; E587-C590 PolarHBondContact O-N 3.48Å; C590-D592 PolarHBondContact O-N 2.91Å; C590-Q593 HydrophobicContact CB-CB 4.1Å; C590-Q593 PolarHBondContact O-N 3.3Å; C590-L884 VanDerWaalsContact SG-CD2 3.56Å
591	L	86.6	Confident	88.1	Confident	41 Å²	41	30.1 Å²	30.1	22%	0.215	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-23.6	-174.9	-59.1	179.9	0	0	0	114.1	V506 V508 R586 T626	V506-L591 HydrophobicContact CG2-CD2 3.6Å; V508-L591 HydrophobicContact CG2-CD2 4.03Å; R586-L591 HydrophobicContact CB-CD2 4.27Å; R586-L591 WeakPolarHBondContact CD-O 3.42Å; L591-T626 HydrophobicContact CD1-CG2 4.12Å
592	D	80.9	Confident	87.9	Confident	129 Å²	129	30.6 Å²	30.6	69%	0.69	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-17.8	179.3	62.6	-40.7	0	0	0	113.2	C590	C590-D592 PolarHBondContact O-N 2.91Å
593	Q	83.4	Confident	87.8	Confident	34 Å²	34	37.2 Å²	37.2	16%	0.159	21%	0.213	C	C	.	.	S	Bend	trans	-87.9	120.6	178.9	-171.5	162.9	20.7	0	0	110.9	R586 C590 S883 L884	R586-Q593 WeakPolarHBondContact CD-O 3.4Å; C590-Q593 HydrophobicContact CB-CB 4.1Å; C590-Q593 PolarHBondContact O-N 3.3Å; Q593-S883 PolarHBondContact OE1-OG 2.88Å; Q593-L884 HydrophobicContact CB-CD2 4.47Å; Q593-L884 HydrophobicContact CG-CD2 4.09Å
594	P	86.4	Confident	87.7	Confident	22 Å²	22	39.3 Å²	39.3	14%	0.143	22%	0.224	C	C	.	.			trans	-71.1	147.4	178.2	29.2	-33.6	0	0	0	111.7	E573 R586 P596 Q882	E573-P594 HydrophobicContact CG-CB 3.84Å; E573-P594 WeakPolarHBondContact OE1-CB 3.37Å; R586-P594 VanDerWaalsContact CZ-CA 3.45Å; P594-P596 WeakPolarHBondContact O-CD 3.45Å; P594-Q882 PolarHBondContact O-NE2 3.14Å; P594-Q882 PolarHBondContact O-OE1 3.06Å
595	I	89	Confident	87.6	Confident	10 Å²	10	39.4 Å²	39.4	5%	0.051	23%	0.225	C	C	.	.			trans	-92	101.7	170.2	-50.3	-178.5	0	0	0	108.2	E492 R505 E587 L884	E492-I595 HydrophobicContact CG-CG2 4.39Å; R505-I595 HydrophobicContact CG-CD1 4.5Å; E587-I595 HydrophobicContact CG-CD1 4.11Å; I595-L884 HydrophobicContact CB-CD1 4.11Å; I595-L884 HydrophobicContact CG1-CD1 3.82Å; I595-L884 HydrophobicContact CG2-CD1 4Å
596	P	85.3	Confident	87.5	Confident	23 Å²	23	42.6 Å²	42.6	15%	0.149	24%	0.239	C	C	.	.			trans	-74.9	140.5	179.9	31.8	-34.2	0	0	0	109	E572 P594 Q882	E572-P596 HydrophobicContact CG-CB 4.49Å; P594-P596 WeakPolarHBondContact O-CD 3.45Å; P596-Q882 VanDerWaalsContact CD-NE2 3.34Å; P596-Q882 HydrophobicContact CG-CG 4.46Å
597	V	88.7	Confident	87.6	Confident	8 Å²	8	49.4 Å²	49.4	5%	0.048	27%	0.269	C	S	.	.			trans	-98.7	114.8	171.3	-175.3	0	0	0	0	107.1	L493 L574 T599 L605 L608	L493-V597 HydrophobicContact CD2-CG1 3.66Å; L574-V597 HydrophobicContact CD2-CG2 3.91Å; L574-V597 HydrophobicContact CG-CG2 3.82Å; V597-T599 HydrophobicContact CG1-CG2 3.9Å; V597-T599 PolarHBondContact O-N 2.87Å; V597-L605 HydrophobicContact CB-CD2 3.69Å; V597-L605 HydrophobicContact CG1-CD2 3.79Å; V597-L605 HydrophobicContact CG2-CD2 4.15Å; V597-L608 HydrophobicContact CG1-CD1 3.62Å
598	P	85.6	Confident	87.9	Confident	22 Å²	22	50.8 Å²	50.8	14%	0.143	28%	0.276	C	S	.	.			trans	-79.7	65.5	-170.1	32.8	-35.5	0	0	0	110.4	R487 V490 E492 L493	R487-P598 VanDerWaalsContact NH2-C 3.31Å; R487-P598 PolarHBondContact NH2-O 3.49Å; V490-P598 HydrophobicContact CB-CG 4.13Å; V490-P598 HydrophobicContact CG1-CB 4.22Å; V490-P598 HydrophobicContact CG1-CG 4.08Å; E492-P598 HydrophobicContact CB-CG 4.46Å; L493-P598 HydrophobicContact CD2-CG 4.22Å; L493-P598 HydrophobicContact CG-CG 4.16Å
599	T	86.6	Confident	88.2	Confident	12 Å²	12	48.4 Å²	48.4	7%	0.074	26%	0.26	C	S	.	.			trans	-139.2	146.2	174.5	-173.5	0	0	0	0	111.6	L493 V597 D601 L604 L605	L493-T599 HydrophobicContact CD2-CG2 4.27Å; V597-T599 HydrophobicContact CG1-CG2 3.9Å; V597-T599 PolarHBondContact O-N 2.87Å; T599-D601 PolarHBondContact OG1-N 3.5Å; T599-D601 VanDerWaalsContact OG1-N 3.1Å; T599-L604 HydrophobicContact CG2-CB 4.46Å; T599-L604 HydrophobicContact CG2-CD2 4.36Å; T599-L604 HydrophobicContact CG2-CG 4.49Å; T599-L605 HydrophobicContact CG2-CD1 4.34Å; T599-L605 HydrophobicContact CG2-CD2 3.79Å; T599-L605 HydrophobicContact CG2-CG 3.59Å
600	S	83	Confident	88.8	Confident	16 Å²	16	45.6 Å²	45.6	11%	0.112	24%	0.239	C	C	.	.			trans	-107.6	2.7	172.7	-44	0	0	0	0	111.7	R487 R670 K676	R487-S600 PolarHBondContact NH1-OG 3.27Å; S600-R670 PolarHBondContact OG-NH1 2.9Å; S600-R670 PolarHBondContact OG-NH2 3.49Å; S600-K676 PolarHBondContact O-NZ 2.87Å; S600-K676 VanDerWaalsContact O-NZ 3.13Å
601	D	88.3	Confident	89.4	Confident	70 Å²	70	47.3 Å²	47.3	37%	0.374	25%	0.251	S	S	.	.			trans	-92.2	112.8	177.6	176.1	13.2	0	0	0	109.9	T599 Q603 L604 L605	T599-D601 PolarHBondContact OG1-N 3.5Å; T599-D601 VanDerWaalsContact OG1-N 3.1Å; D601-Q603 PolarHBondContact O-N 2.97Å; D601-Q603 WeakPolarHBondContact OD1-CB 3.44Å; D601-Q603 PolarHBondContact OD1-N 3.27Å; D601-L604 HydrophobicContact CB-CB 4.26Å; D601-L604 PolarHBondContact O-N 3.47Å; D601-L605 PolarHBondContact O-N 2.94Å
602	P	87.4	Confident	89.8	Confident	57 Å²	57	45.9 Å²	45.9	37%	0.37	24%	0.244	S	C	.	.	H	α-helix	trans	-64.4	-26.2	179.5	27.2	-34.8	0	0	0	113.2	L605 Q606 R660	P602-L605 PolarHBondContact O-N 2.96Å; P602-Q606 WeakPolarHBondContact O-CB 3.4Å; P602-Q606 PolarHBondContact O-N 3.3Å; P602-R660 HydrophobicContact CB-CB 4.12Å
603	Q	91.1	Very high	90.6	Very high	144 Å²	144	41.2 Å²	41.2	67%	0.673	22%	0.217	S	C	*	.	H	α-helix	trans	-69.8	-39.7	179.7	-61.3	-176.8	-0.3	0	0	111.2	D601 Q606 K607	D601-Q603 PolarHBondContact O-N 2.97Å; D601-Q603 WeakPolarHBondContact OD1-CB 3.44Å; D601-Q603 PolarHBondContact OD1-N 3.27Å; Q603-Q606 PolarHBondContact O-N 3.35Å; Q603-K607 WeakPolarHBondContact O-CB 3.19Å; Q603-K607 PolarHBondContact O-N 3.44Å
604	L	91.9	Very high	91.2	Very high	47 Å²	47	44.1 Å²	44.1	25%	0.246	23%	0.231	C	C	.	.	H	α-helix	trans	-65.2	-43.1	175.5	-175.1	57.6	0	0	0	111.8	L493 T599 D601 Q606 K607 L608	L493-L604 HydrophobicContact CD1-CD2 4.19Å; L493-L604 HydrophobicContact CD2-CD2 3.93Å; T599-L604 HydrophobicContact CG2-CB 4.46Å; T599-L604 HydrophobicContact CG2-CD2 4.36Å; T599-L604 HydrophobicContact CG2-CG 4.49Å; D601-L604 HydrophobicContact CB-CB 4.26Å; D601-L604 PolarHBondContact O-N 3.47Å; L604-Q606 VanDerWaalsContact C-N 3.34Å; L604-Q606 PolarHBondContact O-N 2.82Å; L604-K607 WeakPolarHBondContact O-CB 3.36Å; L604-K607 PolarHBondContact O-N 3.43Å; L604-L608 HydrophobicContact CG-CD1 4.45Å; L604-L608 WeakPolarHBondContact O-CG 3.47Å; L604-L608 PolarHBondContact O-N 3.31Å
605	L	91.6	Very high	91.6	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-47.8	173.6	-77.7	172.8	0	0	0	111.5	L574 V597 T599 D601 P602 K607 L608 E609 R660 P662	L574-L605 HydrophobicContact CD2-CD2 4.19Å; V597-L605 HydrophobicContact CB-CD2 3.69Å; V597-L605 HydrophobicContact CG1-CD2 3.79Å; V597-L605 HydrophobicContact CG2-CD2 4.15Å; T599-L605 HydrophobicContact CG2-CD1 4.34Å; T599-L605 HydrophobicContact CG2-CD2 3.79Å; T599-L605 HydrophobicContact CG2-CG 3.59Å; D601-L605 PolarHBondContact O-N 2.94Å; P602-L605 PolarHBondContact O-N 2.96Å; L605-K607 VanDerWaalsContact C-N 3.28Å; L605-K607 PolarHBondContact O-N 2.88Å; L605-L608 PolarHBondContact O-N 3.41Å; L605-E609 WeakPolarHBondContact O-CG 3.49Å; L605-E609 PolarHBondContact O-N 3.45Å; L605-R660 HydrophobicContact CD1-CG 4.32Å; L605-P662 HydrophobicContact CD1-CB 3.99Å; L605-P662 HydrophobicContact CD1-CG 3.83Å
606	Q	92.4	Very high	91.9	Very high	78 Å²	78	44 Å²	44	36%	0.364	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-39.5	178.5	-175.5	-176.7	-9.6	0	0	111.7	P602 Q603 L604 E609 T610 Q643	P602-Q606 WeakPolarHBondContact O-CB 3.4Å; P602-Q606 PolarHBondContact O-N 3.3Å; Q603-Q606 PolarHBondContact O-N 3.35Å; L604-Q606 VanDerWaalsContact C-N 3.34Å; L604-Q606 PolarHBondContact O-N 2.82Å; Q606-E609 PolarHBondContact O-N 3.21Å; Q606-T610 WeakPolarHBondContact O-CB 3.36Å; Q606-T610 PolarHBondContact O-N 3.39Å; Q606-T610 PolarHBondContact O-OG1 3.07Å; Q606-Q643 HydrophobicContact CG-CB 4.4Å
607	K	94.8	Very high	92.4	Very high	151 Å²	151	45.7 Å²	45.7	66%	0.657	24%	0.236	S	C	*	.	H	α-helix	trans	-62.5	-43.5	175.9	-175.2	-176.4	175.9	-172.6	0	111.6	Q603 L604 L605 T610 S611	Q603-K607 WeakPolarHBondContact O-CB 3.19Å; Q603-K607 PolarHBondContact O-N 3.44Å; L604-K607 WeakPolarHBondContact O-CB 3.36Å; L604-K607 PolarHBondContact O-N 3.43Å; L605-K607 VanDerWaalsContact C-N 3.28Å; L605-K607 PolarHBondContact O-N 2.88Å; K607-T610 PolarHBondContact O-N 3.46Å; K607-S611 WeakPolarHBondContact O-CB 3.36Å; K607-S611 PolarHBondContact O-N 3.12Å
608	L	95.2	Very high	92.6	Very high	29 Å²	29	52.4 Å²	52.4	15%	0.152	26%	0.26	C	S	.	.	H	α-helix	trans	-66.8	-43.5	177.4	-67.9	171.2	0	0	0	112	L574 V597 L604 L605 T610 S611 L612	L574-L608 HydrophobicContact CD1-CB 4.23Å; L574-L608 HydrophobicContact CD2-CB 3.75Å; V597-L608 HydrophobicContact CG1-CD1 3.62Å; L604-L608 HydrophobicContact CG-CD1 4.45Å; L604-L608 WeakPolarHBondContact O-CG 3.47Å; L604-L608 PolarHBondContact O-N 3.31Å; L605-L608 PolarHBondContact O-N 3.41Å; L608-T610 VanDerWaalsContact C-N 3.3Å; L608-T610 PolarHBondContact O-N 3.04Å; L608-S611 PolarHBondContact O-N 3.05Å; L608-L612 WeakPolarHBondContact O-CB 3.45Å; L608-L612 PolarHBondContact O-N 3.31Å
609	E	95.8	Very high	92.8	Very high	5 Å²	5	52.2 Å²	52.2	2%	0.023	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-42	173.1	-72.2	-179.3	165.2	0	0	111	L574 A575 L576 L605 Q606 L612 K613 T641 R660	L574-E609 HydrophobicContact CB-CG 4.25Å; L574-E609 HydrophobicContact CD2-CG 3.76Å; A575-E609 PolarHBondContact N-OE1 2.89Å; L576-E609 HydrophobicContact CD2-CB 4.09Å; L605-E609 WeakPolarHBondContact O-CG 3.49Å; L605-E609 PolarHBondContact O-N 3.45Å; Q606-E609 PolarHBondContact O-N 3.21Å; E609-L612 PolarHBondContact O-N 3.3Å; E609-K613 WeakPolarHBondContact O-CB 3.38Å; E609-K613 PolarHBondContact O-N 3.34Å; E609-T641 HydrophobicContact CB-CG2 4.04Å; E609-R660 IonicContact OE1-CZ 2.75Å; E609-R660 IonicContact OE1-NH1 3.48Å; E609-R660 PolarHBondContact OE1-NH1 2.98Å; E609-R660 VanDerWaalsContact OE1-NH1 3.09Å
610	T	96.8	Very high	92.9	Very high	39 Å²	39	59.4 Å²	59.4	24%	0.239	29%	0.293	C	S	.	.	H	α-helix	trans	-64.7	-45.5	177.6	-56.1	0	0	0	0	111.5	Q606 K607 L608 L612 K613 E614	Q606-T610 WeakPolarHBondContact O-CB 3.36Å; Q606-T610 PolarHBondContact O-N 3.39Å; Q606-T610 PolarHBondContact O-OG1 3.07Å; K607-T610 PolarHBondContact O-N 3.46Å; L608-T610 VanDerWaalsContact C-N 3.3Å; L608-T610 PolarHBondContact O-N 3.04Å; T610-L612 VanDerWaalsContact C-N 3.33Å; T610-L612 PolarHBondContact O-N 3.39Å; T610-K613 WeakPolarHBondContact O-CB 3.22Å; T610-K613 PolarHBondContact O-N 3.5Å; T610-E614 WeakPolarHBondContact O-CG 3.24Å; T610-E614 PolarHBondContact O-N 2.92Å
611	S	96.7	Very high	93.2	Very high	55 Å²	55	64.7 Å²	64.7	39%	0.385	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-42.9	176.7	-177.7	0	0	0	0	111.9	K607 L608 E614 E615	K607-S611 WeakPolarHBondContact O-CB 3.36Å; K607-S611 PolarHBondContact O-N 3.12Å; L608-S611 PolarHBondContact O-N 3.05Å; S611-E614 PolarHBondContact O-N 3.39Å; S611-E615 PolarHBondContact O-N 3.26Å
612	L	95.9	Very high	93.3	Very high	10 Å²	10	68.9 Å²	68.9	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-44.4	176.3	-177.4	64	0	0	0	112.1	A497 L500 L574 L576 P585 L608 E609 T610 E615 I616	A497-L612 HydrophobicContact CB-CD1 4.31Å; L500-L612 HydrophobicContact CB-CD1 4.4Å; L500-L612 HydrophobicContact CD2-CD1 4.01Å; L574-L612 HydrophobicContact CB-CD2 4.44Å; L574-L612 HydrophobicContact CD1-CD2 4.29Å; L576-L612 HydrophobicContact CD1-CB 4.03Å; L576-L612 HydrophobicContact CD1-CD2 3.59Å; L576-L612 HydrophobicContact CD1-CG 3.61Å; L576-L612 HydrophobicContact CG-CD2 4.39Å; P585-L612 HydrophobicContact CG-CD2 3.52Å; L608-L612 WeakPolarHBondContact O-CB 3.45Å; L608-L612 PolarHBondContact O-N 3.31Å; E609-L612 PolarHBondContact O-N 3.3Å; T610-L612 VanDerWaalsContact C-N 3.33Å; T610-L612 PolarHBondContact O-N 3.39Å; L612-E615 PolarHBondContact O-N 3.42Å; L612-I616 HydrophobicContact CD1-CD1 4.48Å; L612-I616 HydrophobicContact CG-CD1 4.16Å; L612-I616 WeakPolarHBondContact O-CG1 3.47Å; L612-I616 PolarHBondContact O-N 3.38Å
613	K	96.5	Very high	93.6	Very high	31 Å²	31	66.6 Å²	66.6	14%	0.135	31%	0.31	C	S	.	.	H	α-helix	trans	-56.4	-50.7	173.6	165.4	-172.9	165.1	175.5	0	111.2	L576 E609 T610 E615 I616 L617 C639 T641 E644	L576-K613 HydrophobicContact CD1-CB 4.33Å; L576-K613 HydrophobicContact CD2-CB 4.22Å; E609-K613 WeakPolarHBondContact O-CB 3.38Å; E609-K613 PolarHBondContact O-N 3.34Å; T610-K613 WeakPolarHBondContact O-CB 3.22Å; T610-K613 PolarHBondContact O-N 3.5Å; K613-E615 VanDerWaalsContact C-N 3.29Å; K613-E615 PolarHBondContact O-N 3.49Å; K613-I616 PolarHBondContact O-N 3.13Å; K613-L617 HydrophobicContact CG-CD1 4Å; K613-L617 WeakPolarHBondContact O-CG 3.31Å; K613-L617 PolarHBondContact O-N 2.94Å; K613-C639 WeakPolarHBondContact CD-O 3.18Å; K613-C639 WeakPolarHBondContact CE-O 3.34Å; K613-C639 HydrophobicContact CG-CB 4.16Å; K613-T641 HydrophobicContact CB-CG2 4.34Å; K613-T641 HydrophobicContact CD-CG2 4.04Å; K613-E644 IonicContact NZ-OE1 2.86Å; K613-E644 PolarHBondContact NZ-OE1 2.7Å; K613-E644 IonicContact NZ-OE2 3.23Å; K613-E644 PolarHBondContact NZ-OE2 3.43Å
614	E	96.4	Very high	93.6	Very high	96 Å²	96	62.8 Å²	62.8	45%	0.449	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-40.3	-178.6	-74.4	178.9	-177.3	0	0	111.5	T610 S611 L617 R618	T610-E614 WeakPolarHBondContact O-CG 3.24Å; T610-E614 PolarHBondContact O-N 2.92Å; S611-E614 PolarHBondContact O-N 3.39Å; E614-L617 PolarHBondContact O-N 3.18Å; E614-R618 WeakPolarHBondContact O-CB 3.43Å; E614-R618 PolarHBondContact O-N 3.1Å; E614-R618 IonicContact OE2-NH2 2.73Å; E614-R618 PolarHBondContact OE2-NH2 3.29Å
615	E	95.8	Very high	93.6	Very high	21 Å²	21	60.6 Å²	60.6	10%	0.098	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-44.1	176.6	-179.6	56	-161.4	0	0	112.4	A497 T501 S611 L612 K613 L617 R618 A619	A497-E615 HydrophobicContact CB-CB 3.83Å; A497-E615 HydrophobicContact CB-CG 4.13Å; T501-E615 WeakPolarHBondContact CB-OE1 3.27Å; T501-E615 HydrophobicContact CG2-CG 3.72Å; T501-E615 WeakPolarHBondContact CG2-OE1 3.25Å; T501-E615 PolarHBondContact OG1-OE1 3.42Å; S611-E615 PolarHBondContact O-N 3.26Å; L612-E615 PolarHBondContact O-N 3.42Å; K613-E615 VanDerWaalsContact C-N 3.29Å; K613-E615 PolarHBondContact O-N 3.49Å; E615-L617 VanDerWaalsContact C-N 3.33Å; E615-L617 PolarHBondContact O-N 2.96Å; E615-R618 PolarHBondContact O-N 2.67Å; E615-R618 IonicContact OE2-CZ 3.78Å; E615-R618 IonicContact OE2-NH1 2.87Å; E615-R618 PolarHBondContact OE2-NH1 2.7Å; E615-A619 VanDerWaalsContact O-CB 3.25Å; E615-A619 WeakPolarHBondContact O-CB 3.33Å; E615-A619 PolarHBondContact O-N 3.5Å
616	I	94.6	Very high	93.5	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.036	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-46.8	175.5	-70.3	164.9	0	0	0	111	L500 L507 L576 L612 K613 L623 F636 C639	L500-I616 HydrophobicContact CD2-CD1 3.82Å; L500-I616 HydrophobicContact CD2-CG1 3.49Å; L500-I616 VanDerWaalsContact CD2-CG1 3.49Å; L507-I616 HydrophobicContact CD1-CD1 4.09Å; L576-I616 HydrophobicContact CD1-CD1 3.76Å; L612-I616 HydrophobicContact CD1-CD1 4.48Å; L612-I616 HydrophobicContact CG-CD1 4.16Å; L612-I616 WeakPolarHBondContact O-CG1 3.47Å; L612-I616 PolarHBondContact O-N 3.38Å; K613-I616 PolarHBondContact O-N 3.13Å; I616-L623 HydrophobicContact CG1-CD1 4.15Å; I616-L623 HydrophobicContact CG2-CD1 4.19Å; I616-F636 HydrophobicContact CG2-CB 3.57Å; I616-F636 HydrophobicContact CG2-CD2 3.79Å; I616-F636 HydrophobicContact CG2-CG 3.7Å; I616-C639 HydrophobicContact CG2-CB 4.49Å
617	L	94.9	Very high	93.3	Very high	60 Å²	60	58 Å²	58	31%	0.314	27%	0.269	S	S	.	.	H	α-helix	trans	-73	-38	-177.9	-67.2	175.4	0	0	0	112.5	K613 E614 E615 Q620 C639	K613-L617 HydrophobicContact CG-CD1 4Å; K613-L617 WeakPolarHBondContact O-CG 3.31Å; K613-L617 PolarHBondContact O-N 2.94Å; E614-L617 PolarHBondContact O-N 3.18Å; E615-L617 VanDerWaalsContact C-N 3.33Å; E615-L617 PolarHBondContact O-N 2.96Å; L617-Q620 VanDerWaalsContact O-CG 3.31Å; L617-Q620 WeakPolarHBondContact O-CG 3.32Å; L617-C639 HydrophobicContact CD1-CB 4.24Å; L617-C639 HydrophobicContact CD2-CB 3.85Å; L617-C639 HydrophobicContact CG-CB 3.95Å
618	R	94	Very high	92.3	Very high	148 Å²	148	57.9 Å²	57.9	56%	0.558	27%	0.271	S	S	*	.	H	α-helix	trans	-67.9	-39.6	178.9	-176.4	-169.2	-56.4	114.2	3.1	111.8	E614 E615 Q620	E614-R618 WeakPolarHBondContact O-CB 3.43Å; E614-R618 PolarHBondContact O-N 3.1Å; E614-R618 IonicContact OE2-NH2 2.73Å; E614-R618 PolarHBondContact OE2-NH2 3.29Å; E615-R618 PolarHBondContact O-N 2.67Å; E615-R618 IonicContact OE2-CZ 3.78Å; E615-R618 IonicContact OE2-NH1 2.87Å; E615-R618 PolarHBondContact OE2-NH1 2.7Å; R618-Q620 PolarHBondContact O-N 3.47Å
619	A	89.7	Confident	91.2	Very high	19 Å²	19	63.8 Å²	63.8	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-32.1	-175.8	0	0	0	0	0	112.8	T501 E615 K621	T501-A619 HydrophobicContact CG2-CB 3.59Å; E615-A619 VanDerWaalsContact O-CB 3.25Å; E615-A619 WeakPolarHBondContact O-CB 3.33Å; E615-A619 PolarHBondContact O-N 3.5Å; A619-K621 HydrophobicContact CB-CB 4.42Å; A619-K621 HydrophobicContact CB-CD 4.47Å; A619-K621 VanDerWaalsContact O-CG 3.27Å; A619-K621 WeakPolarHBondContact O-CG 3.47Å; A619-K621 PolarHBondContact O-N 3.05Å
620	Q	87.8	Confident	90.6	Very high	162 Å²	162	69.6 Å²	69.6	76%	0.757	33%	0.325	S	S	*	.			trans	44.1	38	-177.1	-63.2	-166.5	-26.9	0	0	112.9	L617 R618	L617-Q620 VanDerWaalsContact O-CG 3.31Å; L617-Q620 WeakPolarHBondContact O-CG 3.32Å; R618-Q620 PolarHBondContact O-N 3.47Å
621	K	89.3	Confident	90.3	Very high	128 Å²	128	74.5 Å²	74.5	56%	0.557	34%	0.343	S	S	*	.	S	Bend	trans	-115.5	156.8	-176.7	-81	165.4	-172.1	-177.8	0	110	A619 L623	A619-K621 HydrophobicContact CB-CB 4.42Å; A619-K621 HydrophobicContact CB-CD 4.47Å; A619-K621 VanDerWaalsContact O-CG 3.27Å; A619-K621 WeakPolarHBondContact O-CG 3.47Å; A619-K621 PolarHBondContact O-N 3.05Å; K621-L623 HydrophobicContact CB-CD2 4.41Å; K621-L623 PolarHBondContact O-N 3.44Å
622	W	91.6	Very high	90.1	Very high	157 Å²	157	75.3 Å²	75.3	60%	0.595	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-69.4	118.6	163.4	-69.2	89.4	0	0	0	108.3	M633 M635	W622-M633 HydrophobicContact CB-CB 4.26Å; W622-M633 HydrophobicContact CB-CE 3.86Å; W622-M633 HydrophobicContact CE3-CB 3.92Å; W622-M633 VanDerWaalsContact CE3-O 3.28Å; W622-M633 VanDerWaalsContact CZ3-O 3.25Å; W622-M633 WeakPolarHBondContact CZ3-O 3.42Å; W622-M633 WeakPolarHBondContact O-CE 3.18Å; W622-M635 HydrophobicContact CD2-CB 4.21Å; W622-M635 HydrophobicContact CE3-CB 4.3Å; W622-M635 HydrophobicContact CG-CE 4.46Å; W622-M635 HydrophobicContact CZ2-CB 4.48Å; W622-M635 HydrophobicContact CZ2-CE 4.45Å; W622-M635 HydrophobicContact CZ3-CB 4.49Å
623	L	92.4	Very high	89.9	Confident	10 Å²	10	79.7 Å²	79.7	5%	0.052	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.1	177.5	-58	179.8	0	0	0	109.7	L500 T501 I616 K621 V625 M633 K634 F636	L500-L623 HydrophobicContact CD2-CD1 4.01Å; L500-L623 HydrophobicContact CG-CD1 4.39Å; T501-L623 HydrophobicContact CG2-CD2 4.06Å; I616-L623 HydrophobicContact CG1-CD1 4.15Å; I616-L623 HydrophobicContact CG2-CD1 4.19Å; K621-L623 HydrophobicContact CB-CD2 4.41Å; K621-L623 PolarHBondContact O-N 3.44Å; L623-V625 PolarHBondContact O-N 2.92Å; L623-M633 CarbonylContact O-C 3.59Å; L623-M633 WeakPolarHBondContact O-CA 3.39Å; L623-K634 PolarHBondContact N-O 3.14Å; L623-K634 PolarHBondContact O-N 3.49Å; L623-F636 HydrophobicContact CB-CE2 4.31Å; L623-F636 HydrophobicContact CD1-CD2 4.1Å; L623-F636 HydrophobicContact CD1-CE2 4.23Å
624	E	90.8	Very high	89.7	Confident	64 Å²	64	80.1 Å²	80.1	30%	0.299	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	127.2	171.2	-177.2	175.6	160.5	0	0	109.4	V506 L507 K631 M633	V506-E624 HydrophobicContact CG1-CB 4.11Å; V506-E624 HydrophobicContact CG1-CG 3.95Å; L507-E624 PolarHBondContact N-O 3.37Å; E624-K631 WeakPolarHBondContact OE1-CD 3.08Å; E624-K631 WeakPolarHBondContact OE1-CE 3.34Å; E624-K631 IonicContact OE1-NZ 3.55Å; E624-K631 PolarHBondContact OE1-NZ 3.3Å; E624-M633 HydrophobicContact CB-SD 3.99Å
625	V	92	Very high	89.5	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	149.5	173.4	-50.8	0	0	0	0	109.7	L507 F583 L623 L627 Q632 K634 F636	L507-V625 HydrophobicContact CB-CG1 4.14Å; L507-V625 CarbonylContact O-C 3.56Å; L507-V625 WeakPolarHBondContact O-CA 3.35Å; F583-V625 HydrophobicContact CE1-CB 4.09Å; F583-V625 HydrophobicContact CE1-CG1 4.26Å; L623-V625 PolarHBondContact O-N 2.92Å; V625-L627 HydrophobicContact CG2-CD2 4.18Å; V625-L627 HydrophobicContact CG2-CG 4.23Å; V625-Q632 HydrophobicContact CG2-CB 3.98Å; V625-Q632 WeakPolarHBondContact CG2-O 3.37Å; V625-Q632 PolarHBondContact N-O 2.97Å; V625-Q632 PolarHBondContact O-N 3.19Å; V625-Q632 VanDerWaalsContact O-O 3.11Å; V625-K634 HydrophobicContact CG1-CB 4.03Å; V625-K634 HydrophobicContact CG1-CG 4.5Å; V625-K634 HydrophobicContact CG2-CB 4.13Å; V625-K634 HydrophobicContact CG2-CD 3.86Å; V625-K634 HydrophobicContact CG2-CG 3.74Å; V625-F636 HydrophobicContact CG1-CE2 3.94Å; V625-F636 HydrophobicContact CG1-CZ 3.82Å
626	T	90.3	Very high	89.4	Confident	3 Å²	3	78.6 Å²	78.6	2%	0.018	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.4	170.2	-54.3	0	0	0	0	109.8	L507 A509 L591 E630	L507-T626 PolarHBondContact O-N 2.93Å; A509-T626 PolarHBondContact N-O 3.3Å; L591-T626 HydrophobicContact CD1-CG2 4.12Å; T626-E630 WeakPolarHBondContact CA-O 3.4Å
627	L	87.1	Confident	89.2	Confident	22 Å²	22	87.3 Å²	87.3	12%	0.115	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.5	172.2	-47.5	-178.4	0	0	0	108.3	A509 F583 V625 Q629 E630	A509-L627 HydrophobicContact CB-CD2 3.59Å; F583-L627 HydrophobicContact CE1-CD2 3.82Å; F583-L627 HydrophobicContact CZ-CD2 4.14Å; V625-L627 HydrophobicContact CG2-CD2 4.18Å; V625-L627 HydrophobicContact CG2-CG 4.23Å; L627-Q629 PolarHBondContact O-N 3.28Å; L627-E630 PolarHBondContact N-O 2.84Å; L627-E630 WeakPolarHBondContact O-CA 3.18Å; L627-E630 PolarHBondContact O-N 3.35Å
628	E	75.1	Confident	89.1	Confident	149 Å²	149	87.4 Å²	87.4	70%	0.696	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	38.7	169.8	-57.3	-175.6	170.6	0	0	114.8	E630	E628-E630 VanDerWaalsContact C-N 3.34Å; E628-E630 PolarHBondContact O-N 2.72Å
629	Q	71.6	Confident	89.2	Confident	154 Å²	154	80.6 Å²	80.6	72%	0.72	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-1.2	-175.1	-52.1	177.7	-19.5	0	0	117.3	Y512 L627	Y512-Q629 HydrophobicContact CD2-CG 4.11Å; Y512-Q629 HydrophobicContact CE2-CB 4.47Å; Y512-Q629 HydrophobicContact CE2-CG 3.3Å; L627-Q629 PolarHBondContact O-N 3.28Å
630	E	84.3	Confident	89.6	Confident	127 Å²	127	81.7 Å²	81.7	59%	0.593	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	136.4	175.2	-63.8	-170	165.3	0	0	112.4	T626 L627 E628	T626-E630 WeakPolarHBondContact CA-O 3.4Å; L627-E630 PolarHBondContact N-O 2.84Å; L627-E630 WeakPolarHBondContact O-CA 3.18Å; L627-E630 PolarHBondContact O-N 3.35Å; E628-E630 VanDerWaalsContact C-N 3.34Å; E628-E630 PolarHBondContact O-N 2.72Å
631	K	90.1	Very high	90	Very high	142 Å²	142	74 Å²	74	62%	0.617	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.8	169.9	-67.4	-177.7	172.3	-131.8	0	109.5	E624	E624-K631 WeakPolarHBondContact OE1-CD 3.08Å; E624-K631 WeakPolarHBondContact OE1-CE 3.34Å; E624-K631 IonicContact OE1-NZ 3.55Å; E624-K631 PolarHBondContact OE1-NZ 3.3Å
632	Q	91.6	Very high	90.2	Very high	71 Å²	71	68 Å²	68	33%	0.332	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.3	177.8	-60.7	-172	4	0	0	110.2	V625	V625-Q632 HydrophobicContact CG2-CB 3.98Å; V625-Q632 WeakPolarHBondContact CG2-O 3.37Å; V625-Q632 PolarHBondContact N-O 2.97Å; V625-Q632 PolarHBondContact O-N 3.19Å; V625-Q632 VanDerWaalsContact O-O 3.11Å
633	M	92.4	Very high	90.4	Very high	103 Å²	103	62.1 Å²	62.1	51%	0.507	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	126.5	170.1	-63.3	-58.5	-71.5	0	0	108	W622 L623 E624	W622-M633 HydrophobicContact CB-CB 4.26Å; W622-M633 HydrophobicContact CB-CE 3.86Å; W622-M633 HydrophobicContact CE3-CB 3.92Å; W622-M633 VanDerWaalsContact CE3-O 3.28Å; W622-M633 VanDerWaalsContact CZ3-O 3.25Å; W622-M633 WeakPolarHBondContact CZ3-O 3.42Å; W622-M633 WeakPolarHBondContact O-CE 3.18Å; L623-M633 CarbonylContact O-C 3.59Å; L623-M633 WeakPolarHBondContact O-CA 3.39Å; E624-M633 HydrophobicContact CB-SD 3.99Å
634	K	92.4	Very high	90.6	Very high	39 Å²	39	64.4 Å²	64.4	17%	0.17	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.1	175.1	-76.5	-167.3	177.7	170	0	112.1	F583 L623 V625 F636	F583-K634 HydrophobicContact CZ-CD 4.42Å; L623-K634 PolarHBondContact N-O 3.14Å; L623-K634 PolarHBondContact O-N 3.49Å; V625-K634 HydrophobicContact CG1-CB 4.03Å; V625-K634 HydrophobicContact CG1-CG 4.5Å; V625-K634 HydrophobicContact CG2-CB 4.13Å; V625-K634 HydrophobicContact CG2-CD 3.86Å; V625-K634 HydrophobicContact CG2-CG 3.74Å; K634-F636 HydrophobicContact CB-CE2 4.28Å; K634-F636 HydrophobicContact CB-CZ 4.45Å
635	M	92.7	Very high	90.8	Very high	69 Å²	69	61.4 Å²	61.4	34%	0.34	29%	0.292	S	S	.	.			trans	-96.3	124.7	166.2	-170.7	98.2	77.3	0	0	108.9	N579 W622	N579-M635 PolarHBondContact ND2-O 3.43Å; W622-M635 HydrophobicContact CD2-CB 4.21Å; W622-M635 HydrophobicContact CE3-CB 4.3Å; W622-M635 HydrophobicContact CG-CE 4.46Å; W622-M635 HydrophobicContact CZ2-CB 4.48Å; W622-M635 HydrophobicContact CZ2-CE 4.45Å; W622-M635 HydrophobicContact CZ3-CB 4.49Å
636	F	93.3	Very high	91	Very high	17 Å²	17	61.4 Å²	61.4	8%	0.075	29%	0.292	C	S	.	.			trans	-89.2	112.9	179.5	-69.3	-87.1	0	0	0	110.4	L507 F583 I616 L623 V625 K634	L507-F636 HydrophobicContact CD1-CE1 4.43Å; L507-F636 HydrophobicContact CD1-CE2 3.71Å; L507-F636 HydrophobicContact CD1-CZ 3.56Å; F583-F636 AromaticContact CD2-CE1 3.73Å; F583-F636 HydrophobicContact CD2-CE1 3.73Å; F583-F636 HydrophobicContact CD2-CZ 4.08Å; F583-F636 AromaticContact CE2-CE1 3.55Å; F583-F636 HydrophobicContact CE2-CE1 3.55Å; F583-F636 AromaticContact CE2-CZ 3.95Å; F583-F636 HydrophobicContact CE2-CZ 3.95Å; F583-F636 HydrophobicContact CG-CZ 4.48Å; F583-F636 HydrophobicContact CZ-CE1 4.23Å; F583-F636 HydrophobicContact CZ-CZ 4.24Å; I616-F636 HydrophobicContact CG2-CB 3.57Å; I616-F636 HydrophobicContact CG2-CD2 3.79Å; I616-F636 HydrophobicContact CG2-CG 3.7Å; L623-F636 HydrophobicContact CB-CE2 4.31Å; L623-F636 HydrophobicContact CD1-CD2 4.1Å; L623-F636 HydrophobicContact CD1-CE2 4.23Å; V625-F636 HydrophobicContact CG1-CE2 3.94Å; V625-F636 HydrophobicContact CG1-CZ 3.82Å; K634-F636 HydrophobicContact CB-CE2 4.28Å; K634-F636 HydrophobicContact CB-CZ 4.45Å
637	K	89.5	Confident	91.2	Very high	190 Å²	190	65 Å²	65	83%	0.826	31%	0.311	S	S	*	.	S	Bend	trans	-86.5	-28.7	174.3	-64.9	-178.6	-179.3	177.5	0	111.7	N579	N579-K637 PolarHBondContact OD1-N 2.89Å
638	S	93.4	Very high	91.6	Very high	61 Å²	61	68.5 Å²	68.5	43%	0.427	33%	0.327	S	S	.	.			trans	-137.2	141.7	177.5	59.2	0	0	0	0	108.9	G578 N579	G578-S638 WeakPolarHBondContact CA-O 3.44Å; N579-S638 PolarHBondContact N-O 2.85Å; N579-S638 PolarHBondContact OD1-N 3.39Å
639	C	96.4	Very high	92.5	Very high	6 Å²	6	62.8 Å²	62.8	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	126.3	175.2	-170	0	0	0	0	108	E577 K613 I616 L617	E577-C639 CarbonylContact O-C 3.53Å; E577-C639 VanDerWaalsContact O-CA 3.23Å; E577-C639 WeakPolarHBondContact O-CA 2.82Å; K613-C639 WeakPolarHBondContact CD-O 3.18Å; K613-C639 WeakPolarHBondContact CE-O 3.34Å; K613-C639 HydrophobicContact CG-CB 4.16Å; I616-C639 HydrophobicContact CG2-CB 4.49Å; L617-C639 HydrophobicContact CD1-CB 4.24Å; L617-C639 HydrophobicContact CD2-CB 3.85Å; L617-C639 HydrophobicContact CG-CB 3.95Å
640	L	97	Very high	93.6	Very high	41 Å²	41	59.1 Å²	59.1	22%	0.215	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.9	-179.4	-63.2	175.9	0	0	0	110	E577 E644 I645	E577-L640 PolarHBondContact N-O 3.36Å; E577-L640 PolarHBondContact O-N 2.85Å; L640-E644 WeakPolarHBondContact CA-OE2 3.26Å; L640-E644 HydrophobicContact CD2-CB 4.5Å; L640-I645 HydrophobicContact CB-CD1 4.46Å; L640-I645 HydrophobicContact CB-CG1 3.96Å; L640-I645 HydrophobicContact CD1-CG1 4.27Å
641	T	96.5	Very high	93.8	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	156.1	167.5	65.5	0	0	0	0	110	L576 E609 K613 Q643 E644 I645	L576-T641 HydrophobicContact CD2-CG2 3.85Å; E609-T641 HydrophobicContact CB-CG2 4.04Å; K613-T641 HydrophobicContact CB-CG2 4.34Å; K613-T641 HydrophobicContact CD-CG2 4.04Å; T641-Q643 PolarHBondContact O-N 3.42Å; T641-E644 PolarHBondContact N-OE2 3.01Å; T641-E644 WeakPolarHBondContact O-CB 3.47Å; T641-E644 PolarHBondContact O-N 3.46Å; T641-E644 VanDerWaalsContact O-N 3.08Å; T641-E644 WeakPolarHBondContact OG1-CG 3.34Å; T641-E644 PolarHBondContact OG1-N 3.22Å; T641-E644 PolarHBondContact OG1-OE2 2.91Å; T641-I645 WeakPolarHBondContact O-CG1 3.37Å; T641-I645 PolarHBondContact O-N 2.53Å; T641-I645 VanDerWaalsContact O-N 3.13Å
642	I	94.8	Very high	93.7	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-58.5	-39	177.3	-54.3	-54.4	0	0	0	110.8	A575 I582 E644 I645 F646 Y658	A575-I642 HydrophobicContact CB-CD1 4.26Å; A575-I642 HydrophobicContact CB-CG1 4.13Å; A575-I642 WeakPolarHBondContact O-CG1 3.43Å; I582-I642 HydrophobicContact CD1-CD1 4.07Å; I642-E644 VanDerWaalsContact C-N 3.34Å; I642-E644 PolarHBondContact O-N 3.39Å; I642-I645 HydrophobicContact CD1-CD1 4.17Å; I642-I645 WeakPolarHBondContact O-CB 3.44Å; I642-I645 PolarHBondContact O-N 3.19Å; I642-F646 HydrophobicContact CG2-CD2 3.89Å; I642-F646 HydrophobicContact CG2-CE2 3.82Å; I642-F646 WeakPolarHBondContact O-CD2 3.26Å; I642-F646 PolarHBondContact O-N 3.32Å; I642-F646 VanDerWaalsContact O-N 3.12Å; I642-Y658 HydrophobicContact CG2-CE2 4.3Å; I642-Y658 WeakPolarHBondContact CG2-OH 3.44Å
643	Q	94.6	Very high	93.8	Very high	35 Å²	35	54 Å²	54	16%	0.164	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-40.3	176.8	-175.5	62.1	64.4	0	0	112.7	Q606 T641 F646 N647 Y658	Q606-Q643 HydrophobicContact CG-CB 4.4Å; T641-Q643 PolarHBondContact O-N 3.42Å; Q643-F646 PolarHBondContact O-N 3.04Å; Q643-N647 PolarHBondContact NE2-OD1 2.96Å; Q643-N647 VanDerWaalsContact NE2-OD1 3.16Å; Q643-N647 PolarHBondContact O-N 2.95Å; Q643-N647 PolarHBondContact O-ND2 2.86Å; Q643-N647 PolarHBondContact O-OD1 2.71Å; Q643-Y658 VanDerWaalsContact OE1-CD1 3.23Å
644	E	95.7	Very high	93.6	Very high	58 Å²	58	58.2 Å²	58.2	27%	0.271	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-39.7	176.6	-74	167.5	153.6	0	0	111.9	K613 L640 T641 I642 N647 Q648	K613-E644 IonicContact NZ-OE1 2.86Å; K613-E644 PolarHBondContact NZ-OE1 2.7Å; K613-E644 IonicContact NZ-OE2 3.23Å; K613-E644 PolarHBondContact NZ-OE2 3.43Å; L640-E644 WeakPolarHBondContact CA-OE2 3.26Å; L640-E644 HydrophobicContact CD2-CB 4.5Å; T641-E644 PolarHBondContact N-OE2 3.01Å; T641-E644 WeakPolarHBondContact O-CB 3.47Å; T641-E644 PolarHBondContact O-N 3.46Å; T641-E644 VanDerWaalsContact O-N 3.08Å; T641-E644 WeakPolarHBondContact OG1-CG 3.34Å; T641-E644 PolarHBondContact OG1-N 3.22Å; T641-E644 PolarHBondContact OG1-OE2 2.91Å; I642-E644 VanDerWaalsContact C-N 3.34Å; I642-E644 PolarHBondContact O-N 3.39Å; E644-N647 PolarHBondContact O-N 3.03Å; E644-Q648 WeakPolarHBondContact O-CG 3.44Å; E644-Q648 PolarHBondContact O-N 3.1Å
645	I	95.6	Very high	93.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-48.8	176.2	-62.6	167.4	0	0	0	110.3	I548 E577 L640 T641 I642 N647 Q648 H649	I548-I645 HydrophobicContact CD1-CG2 3.6Å; E577-I645 HydrophobicContact CB-CD1 3.56Å; E577-I645 HydrophobicContact CG-CD1 4.42Å; L640-I645 HydrophobicContact CB-CD1 4.46Å; L640-I645 HydrophobicContact CB-CG1 3.96Å; L640-I645 HydrophobicContact CD1-CG1 4.27Å; T641-I645 WeakPolarHBondContact O-CG1 3.37Å; T641-I645 PolarHBondContact O-N 2.53Å; T641-I645 VanDerWaalsContact O-N 3.13Å; I642-I645 HydrophobicContact CD1-CD1 4.17Å; I642-I645 WeakPolarHBondContact O-CB 3.44Å; I642-I645 PolarHBondContact O-N 3.19Å; I645-N647 VanDerWaalsContact C-N 3.3Å; I645-N647 PolarHBondContact O-N 3.27Å; I645-Q648 WeakPolarHBondContact O-CB 3.02Å; I645-Q648 PolarHBondContact O-N 2.97Å; I645-Q648 VanDerWaalsContact O-N 3.17Å; I645-H649 PolarHBondContact O-CD2 3.24Å; I645-H649 PolarHBondContact O-N 3.17Å
646	F	96.1	Very high	93.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-35	177	-84	-82.4	0	0	0	112.8	I548 W567 I642 Q643 Q648 H649 K650 L656 Y658	I548-F646 HydrophobicContact CD1-CD2 4.31Å; I548-F646 HydrophobicContact CD1-CE1 4.38Å; I548-F646 HydrophobicContact CD1-CE2 3.72Å; I548-F646 HydrophobicContact CD1-CZ 3.74Å; I548-F646 HydrophobicContact CG1-CZ 4.19Å; I548-F646 HydrophobicContact CG2-CE1 4.23Å; W567-F646 HydrophobicContact CB-CE1 3.84Å; W567-F646 HydrophobicContact CB-CZ 4.33Å; W567-F646 AromaticContact CD1-CE1 3.9Å; W567-F646 AromaticContact CD1-CZ 3.49Å; W567-F646 VanDerWaalsContact CD1-CZ 3.49Å; W567-F646 AromaticContact CD2-CE1 3.6Å; W567-F646 HydrophobicContact CD2-CE1 3.6Å; W567-F646 AromaticContact CD2-CZ 3.58Å; W567-F646 HydrophobicContact CD2-CZ 3.58Å; W567-F646 AromaticContact CE2-CZ 3.62Å; W567-F646 AromaticContact CE3-CE1 3.99Å; W567-F646 HydrophobicContact CE3-CE1 3.99Å; W567-F646 HydrophobicContact CE3-CZ 4.27Å; W567-F646 AromaticContact CG-CE1 3.49Å; W567-F646 HydrophobicContact CG-CE1 3.49Å; W567-F646 VanDerWaalsContact CG-CE1 3.49Å; W567-F646 AromaticContact CG-CZ 3.55Å; W567-F646 HydrophobicContact CG-CZ 3.55Å; W567-F646 HydrophobicContact CZ2-CZ 4.33Å; W567-F646 AromaticContact NE1-CZ 3.55Å; I642-F646 HydrophobicContact CG2-CD2 3.89Å; I642-F646 HydrophobicContact CG2-CE2 3.82Å; I642-F646 WeakPolarHBondContact O-CD2 3.26Å; I642-F646 PolarHBondContact O-N 3.32Å; I642-F646 VanDerWaalsContact O-N 3.12Å; Q643-F646 PolarHBondContact O-N 3.04Å; F646-Q648 VanDerWaalsContact C-N 3.29Å; F646-Q648 PolarHBondContact O-N 2.91Å; F646-H649 PolarHBondContact O-N 3.43Å; F646-K650 WeakPolarHBondContact O-CG 3.48Å; F646-K650 PolarHBondContact O-N 2.7Å; F646-K650 VanDerWaalsContact O-N 3.1Å; F646-L656 HydrophobicContact CD1-CD2 4.11Å; F646-Y658 HydrophobicContact CB-CD1 4.18Å; F646-Y658 HydrophobicContact CB-CD2 4.28Å; F646-Y658 HydrophobicContact CB-CG 3.82Å; F646-Y658 AromaticContact CD1-CD2 3.71Å; F646-Y658 HydrophobicContact CD1-CD2 3.71Å; F646-Y658 AromaticContact CD1-CG 3.92Å; F646-Y658 HydrophobicContact CD1-CG 3.92Å; F646-Y658 HydrophobicContact CD2-CD1 4.24Å; F646-Y658 AromaticContact CD2-CD2 3.31Å; F646-Y658 HydrophobicContact CD2-CD2 3.31Å; F646-Y658 HydrophobicContact CD2-CE1 4.34Å; F646-Y658 AromaticContact CD2-CE2 3.44Å; F646-Y658 HydrophobicContact CD2-CE2 3.44Å; F646-Y658 VanDerWaalsContact CD2-CE2 3.44Å; F646-Y658 AromaticContact CD2-CG 3.73Å; F646-Y658 HydrophobicContact CD2-CG 3.73Å; F646-Y658 AromaticContact CD2-CZ 3.97Å; F646-Y658 AromaticContact CE1-CD2 3.82Å; F646-Y658 HydrophobicContact CE1-CD2 3.82Å; F646-Y658 HydrophobicContact CE1-CG 4.47Å; F646-Y658 AromaticContact CE2-CD2 3.44Å; F646-Y658 HydrophobicContact CE2-CD2 3.44Å; F646-Y658 VanDerWaalsContact CE2-CD2 3.44Å; F646-Y658 AromaticContact CE2-CE2 3.37Å; F646-Y658 HydrophobicContact CE2-CE2 3.37Å; F646-Y658 HydrophobicContact CE2-CG 4.31Å; F646-Y658 HydrophobicContact CG-CD1 4.22Å; F646-Y658 AromaticContact CG-CD2 3.47Å; F646-Y658 HydrophobicContact CG-CD2 3.47Å; F646-Y658 VanDerWaalsContact CG-CD2 3.47Å; F646-Y658 HydrophobicContact CG-CE2 4.1Å; F646-Y658 AromaticContact CG-CG 3.53Å; F646-Y658 HydrophobicContact CG-CG 3.53Å; F646-Y658 AromaticContact CZ-CD2 3.7Å; F646-Y658 HydrophobicContact CZ-CD2 3.7Å; F646-Y658 AromaticContact CZ-CE2 3.97Å; F646-Y658 HydrophobicContact CZ-CE2 3.97Å
647	N	94.8	Very high	94	Very high	78 Å²	78	55.7 Å²	55.7	42%	0.417	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-33.2	175.4	-70.3	-16.8	0	0	0	112.4	Q643 E644 I645 K650	Q643-N647 PolarHBondContact NE2-OD1 2.96Å; Q643-N647 VanDerWaalsContact NE2-OD1 3.16Å; Q643-N647 PolarHBondContact O-N 2.95Å; Q643-N647 PolarHBondContact O-ND2 2.86Å; Q643-N647 PolarHBondContact O-OD1 2.71Å; E644-N647 PolarHBondContact O-N 3.03Å; I645-N647 VanDerWaalsContact C-N 3.3Å; I645-N647 PolarHBondContact O-N 3.27Å; N647-K650 PolarHBondContact OD1-NZ 2.84Å
648	Q	95	Very high	94.4	Very high	96 Å²	96	47.4 Å²	47.4	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-66.6	-41.1	173.4	-67.8	170.2	1	0	0	111.8	E644 I645 F646 K650 S651	E644-Q648 WeakPolarHBondContact O-CG 3.44Å; E644-Q648 PolarHBondContact O-N 3.1Å; I645-Q648 WeakPolarHBondContact O-CB 3.02Å; I645-Q648 PolarHBondContact O-N 2.97Å; I645-Q648 VanDerWaalsContact O-N 3.17Å; F646-Q648 VanDerWaalsContact C-N 3.29Å; F646-Q648 PolarHBondContact O-N 2.91Å; Q648-K650 VanDerWaalsContact C-N 3.34Å; Q648-K650 PolarHBondContact O-N 3.01Å; Q648-S651 PolarHBondContact O-OG 3.22Å
649	H	95.8	Very high	94.5	Very high	29 Å²	29	48 Å²	48	13%	0.134	26%	0.255	C	S	.	.	H	α-helix	trans	-72.9	-24.5	-179.7	-77	-73.8	0	0	0	114	S545 L552 I645 F646 S651 S652 H653 L656	S545-H649 PolarHBondContact O-CE1 2.88Å; S545-H649 PolarHBondContact O-NE2 3.48Å; S545-H649 PolarHBondContact OG-NE2 3.41Å; L552-H649 HydrophobicContact CD1-CB 3.95Å; I645-H649 PolarHBondContact O-CD2 3.24Å; I645-H649 PolarHBondContact O-N 3.17Å; F646-H649 PolarHBondContact O-N 3.43Å; H649-S651 PolarHBondContact O-N 2.78Å; H649-S652 PolarHBondContact O-N 2.88Å; H649-S652 VanDerWaalsContact O-N 3.16Å; H649-H653 PolarHBondContact O-N 3.48Å; H649-H653 PolarHBondContact O-ND1 3.37Å; H649-L656 HydrophobicContact CB-CD2 3.85Å
650	K	93.9	Very high	94.4	Very high	78 Å²	78	48.6 Å²	48.6	34%	0.339	26%	0.257	S	S	.	.	H	α-helix	trans	-59.5	-28.6	176.1	-80.2	177.8	-177.8	173.2	0	113.8	F646 N647 Q648 S652 H653 L656	F646-K650 WeakPolarHBondContact O-CG 3.48Å; F646-K650 PolarHBondContact O-N 2.7Å; F646-K650 VanDerWaalsContact O-N 3.1Å; N647-K650 PolarHBondContact OD1-NZ 2.84Å; Q648-K650 VanDerWaalsContact C-N 3.34Å; Q648-K650 PolarHBondContact O-N 3.01Å; K650-S652 VanDerWaalsContact C-N 3.29Å; K650-S652 PolarHBondContact O-N 2.91Å; K650-H653 CarbonylContact O-C 3.52Å; K650-L656 HydrophobicContact CG-CB 4.45Å; K650-L656 HydrophobicContact CG-CD2 4.46Å; K650-L656 HydrophobicContact CG-CG 4.5Å
651	S	87.9	Confident	94.3	Very high	97 Å²	97	47.2 Å²	47.2	68%	0.678	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-32.6	177.7	61.5	0	0	0	0	112.6	Q648 H649	Q648-S651 PolarHBondContact O-OG 3.22Å; H649-S651 PolarHBondContact O-N 2.78Å
652	S	89.3	Confident	94.1	Very high	93 Å²	93	47.2 Å²	47.2	65%	0.65	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-19.5	-179.7	-54.3	0	0	0	0	112.8	H649 K650	H649-S652 PolarHBondContact O-N 2.88Å; H649-S652 VanDerWaalsContact O-N 3.16Å; K650-S652 VanDerWaalsContact C-N 3.29Å; K650-S652 PolarHBondContact O-N 2.91Å
653	H	91.8	Very high	93.9	Very high	42 Å²	42	47.2 Å²	47.2	19%	0.194	25%	0.249	C	C	.	.			trans	-130.6	85.8	-179.5	-56.7	88.4	0	0	0	109.9	H649 K650 G655 L656	H649-H653 PolarHBondContact O-N 3.48Å; H649-H653 PolarHBondContact O-ND1 3.37Å; K650-H653 CarbonylContact O-C 3.52Å; H653-G655 PolarHBondContact O-N 3.34Å; H653-L656 HydrophobicContact CB-CB 4.01Å; H653-L656 VanDerWaalsContact O-CB 3.24Å; H653-L656 WeakPolarHBondContact O-CB 3.27Å; H653-L656 PolarHBondContact O-N 3.37Å
654	Q	89	Confident	93.5	Very high	192 Å²	192	46.2 Å²	46.2	90%	0.897	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28	-174.2	-68.6	-175.2	-11.7	0	0	113.9	L656	Q654-L656 VanDerWaalsContact C-N 3.3Å; Q654-L656 PolarHBondContact O-N 3.1Å
655	G	93.1	Very high	92.7	Very high	21 Å²	21	45.9 Å²	45.9	22%	0.216	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	9.7	176	0	0	0	0	0	115.3	H564 V565 H653	H564-G655 WeakPolarHBondContact CA-O 3.49Å; V565-G655 PolarHBondContact N-O 3.02Å; H653-G655 PolarHBondContact O-N 3.34Å
656	L	97.1	Very high	91.8	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.037	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	116.2	179.3	178.1	60.2	0	0	0	111.8	L552 V565 W567 F646 H649 K650 H653 Q654	L552-L656 HydrophobicContact CD1-CD2 3.73Å; L552-L656 HydrophobicContact CD2-CD1 3.85Å; L552-L656 HydrophobicContact CD2-CD2 4.33Å; V565-L656 HydrophobicContact CB-CD1 4.23Å; V565-L656 HydrophobicContact CG1-CD1 4.23Å; W567-L656 HydrophobicContact CB-CD1 4.28Å; F646-L656 HydrophobicContact CD1-CD2 4.11Å; H649-L656 HydrophobicContact CB-CD2 3.85Å; K650-L656 HydrophobicContact CG-CB 4.45Å; K650-L656 HydrophobicContact CG-CD2 4.46Å; K650-L656 HydrophobicContact CG-CG 4.5Å; H653-L656 HydrophobicContact CB-CB 4.01Å; H653-L656 VanDerWaalsContact O-CB 3.24Å; H653-L656 WeakPolarHBondContact O-CB 3.27Å; H653-L656 PolarHBondContact O-N 3.37Å; Q654-L656 VanDerWaalsContact C-N 3.3Å; Q654-L656 PolarHBondContact O-N 3.1Å
657	V	97	Very high	91.2	Very high	43 Å²	43	46.4 Å²	46.4	26%	0.261	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.6	172.4	-177	0	0	0	0	109.1	V565 L566 W567	V565-V657 PolarHBondContact O-N 3.14Å; L566-V657 HydrophobicContact CD1-CB 3.88Å; L566-V657 HydrophobicContact CD1-CG1 3.67Å; W567-V657 PolarHBondContact N-O 2.98Å
658	Y	96.9	Very high	90.8	Very high	16 Å²	16	42.7 Å²	42.7	6%	0.063	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.7	175.3	172.3	-103.6	0	0	0	110.7	W567 N569 I642 Q643 F646	W567-Y658 HydrophobicContact CB-CD2 4.46Å; W567-Y658 WeakPolarHBondContact O-CA 3.47Å; N569-Y658 HydrophobicContact CB-CE2 3.68Å; N569-Y658 PolarHBondContact ND2-OH 3.37Å; I642-Y658 HydrophobicContact CG2-CE2 4.3Å; I642-Y658 WeakPolarHBondContact CG2-OH 3.44Å; Q643-Y658 VanDerWaalsContact OE1-CD1 3.23Å; F646-Y658 HydrophobicContact CB-CD1 4.18Å; F646-Y658 HydrophobicContact CB-CD2 4.28Å; F646-Y658 HydrophobicContact CB-CG 3.82Å; F646-Y658 AromaticContact CD1-CD2 3.71Å; F646-Y658 HydrophobicContact CD1-CD2 3.71Å; F646-Y658 AromaticContact CD1-CG 3.92Å; F646-Y658 HydrophobicContact CD1-CG 3.92Å; F646-Y658 HydrophobicContact CD2-CD1 4.24Å; F646-Y658 AromaticContact CD2-CD2 3.31Å; F646-Y658 HydrophobicContact CD2-CD2 3.31Å; F646-Y658 HydrophobicContact CD2-CE1 4.34Å; F646-Y658 AromaticContact CD2-CE2 3.44Å; F646-Y658 HydrophobicContact CD2-CE2 3.44Å; F646-Y658 VanDerWaalsContact CD2-CE2 3.44Å; F646-Y658 AromaticContact CD2-CG 3.73Å; F646-Y658 HydrophobicContact CD2-CG 3.73Å; F646-Y658 AromaticContact CD2-CZ 3.97Å; F646-Y658 AromaticContact CE1-CD2 3.82Å; F646-Y658 HydrophobicContact CE1-CD2 3.82Å; F646-Y658 HydrophobicContact CE1-CG 4.47Å; F646-Y658 AromaticContact CE2-CD2 3.44Å; F646-Y658 HydrophobicContact CE2-CD2 3.44Å; F646-Y658 VanDerWaalsContact CE2-CD2 3.44Å; F646-Y658 AromaticContact CE2-CE2 3.37Å; F646-Y658 HydrophobicContact CE2-CE2 3.37Å; F646-Y658 HydrophobicContact CE2-CG 4.31Å; F646-Y658 HydrophobicContact CG-CD1 4.22Å; F646-Y658 AromaticContact CG-CD2 3.47Å; F646-Y658 HydrophobicContact CG-CD2 3.47Å; F646-Y658 VanDerWaalsContact CG-CD2 3.47Å; F646-Y658 HydrophobicContact CG-CE2 4.1Å; F646-Y658 AromaticContact CG-CG 3.53Å; F646-Y658 HydrophobicContact CG-CG 3.53Å; F646-Y658 AromaticContact CZ-CD2 3.7Å; F646-Y658 HydrophobicContact CZ-CD2 3.7Å; F646-Y658 AromaticContact CZ-CE2 3.97Å; F646-Y658 HydrophobicContact CZ-CE2 3.97Å
659	K	96.3	Very high	90.7	Very high	73 Å²	73	38.2 Å²	38.2	32%	0.317	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.8	172.4	-67.6	-171	176.5	-177.2	0	110.9	L566 W567 I568 N569 A680	L566-K659 HydrophobicContact CD1-CD 4.28Å; L566-K659 HydrophobicContact CD1-CG 4.29Å; W567-K659 PolarHBondContact O-N 3.5Å; I568-K659 WeakPolarHBondContact CA-O 3.47Å; N569-K659 PolarHBondContact N-O 3.27Å; K659-A680 HydrophobicContact CD-CB 3.99Å
660	R	94.7	Very high	90.5	Very high	20 Å²	20	38.6 Å²	38.6	8%	0.075	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.3	170.6	-170	73.4	179.5	-115.3	-2.8	109	N569 H571 E573 P602 L605 E609	N569-R660 PolarHBondContact ND2-NH1 3.27Å; N569-R660 CarbonylContact O-C 3.42Å; N569-R660 WeakPolarHBondContact O-CA 3.45Å; N569-R660 WeakPolarHBondContact O-CD 3.48Å; H571-R660 VanDerWaalsContact C-NH2 3.27Å; H571-R660 PolarHBondContact O-NE 3.06Å; H571-R660 PolarHBondContact O-NH2 3.39Å; E573-R660 PolarHBondContact O-NH2 3.16Å; P602-R660 HydrophobicContact CB-CB 4.12Å; L605-R660 HydrophobicContact CD1-CG 4.32Å; E609-R660 IonicContact OE1-CZ 2.75Å; E609-R660 IonicContact OE1-NH1 3.48Å; E609-R660 PolarHBondContact OE1-NH1 2.98Å; E609-R660 VanDerWaalsContact OE1-NH1 3.09Å
661	I	95.1	Very high	90.5	Very high	12 Å²	12	35.8 Å²	35.8	6%	0.062	20%	0.197	C	C	.	.			trans	-132	84.3	178	-57.1	176.4	0	0	0	107.7	I568 N569 V570 L663 K676 L677 A680	I568-I661 HydrophobicContact CD1-CD1 4.3Å; I568-I661 HydrophobicContact CG2-CB 4.11Å; I568-I661 HydrophobicContact CG2-CD1 3.88Å; I568-I661 HydrophobicContact CG2-CG1 4.03Å; N569-I661 PolarHBondContact O-N 3.22Å; V570-I661 WeakPolarHBondContact CA-O 3.35Å; I661-L663 PolarHBondContact O-N 3.42Å; I661-K676 HydrophobicContact CD1-CB 4.12Å; I661-K676 HydrophobicContact CG2-CB 3.96Å; I661-K676 HydrophobicContact CG2-CD 4.3Å; I661-L677 HydrophobicContact CD1-CD2 4.08Å; I661-L677 HydrophobicContact CG2-CD2 4.43Å; I661-L677 HydrophobicContact CG2-CG 4.36Å; I661-A680 HydrophobicContact CD1-CB 4.18Å
662	P	91.9	Very high	90.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.184	C	C	.	.			trans	-63.9	125.7	-171.7	28.3	-36.1	0	0	0	111.3	E572 L605	E572-P662 HydrophobicContact CB-CB 3.76Å; L605-P662 HydrophobicContact CD1-CB 3.99Å; L605-P662 HydrophobicContact CD1-CG 3.83Å
663	L	90.8	Very high	91.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.153	C	C	.	.			trans	-109.3	141.8	174.4	-62.6	-176.5	0	0	0	110	V570 I661 P669 D673 L677 R703 A707	V570-L663 HydrophobicContact CB-CB 4.3Å; V570-L663 HydrophobicContact CB-CD1 3.81Å; V570-L663 HydrophobicContact CB-CG 3.81Å; V570-L663 HydrophobicContact CG1-CD1 3.92Å; V570-L663 HydrophobicContact CG1-CG 4.12Å; V570-L663 HydrophobicContact CG2-CD1 4.25Å; V570-L663 PolarHBondContact O-N 2.88Å; I661-L663 PolarHBondContact O-N 3.42Å; L663-P669 HydrophobicContact CD1-CG 4.31Å; L663-P669 HydrophobicContact CD2-CB 3.94Å; L663-P669 HydrophobicContact CD2-CG 4.26Å; L663-D673 HydrophobicContact CD2-CB 3.55Å; L663-L677 HydrophobicContact CD1-CD1 4.34Å; L663-L677 HydrophobicContact CD2-CD1 4.48Å; L663-R703 HydrophobicContact CB-CB 4.42Å; L663-R703 HydrophobicContact CB-CG 4.22Å; L663-R703 WeakPolarHBondContact O-CD 3.39Å; L663-A707 HydrophobicContact CD1-CB 4.42Å
664	P	85.3	Confident	91.4	Very high	14 Å²	14	28.8 Å²	28.8	9%	0.091	14%	0.144	C	C	.	.			trans	-66.6	142.2	178.8	31.6	-37.4	0	0	0	111.6	E572 S667	E572-P664 WeakPolarHBondContact OE1-CA 3.36Å; E572-P664 WeakPolarHBondContact OE2-CA 3.2Å; P664-S667 WeakPolarHBondContact CB-OG 3.46Å; P664-S667 WeakPolarHBondContact CG-OG 3.44Å
665	D	79.9	Confident	91.8	Very high	50 Å²	50	21 Å²	21	27%	0.267	11%	0.108	S	C	.	.	S	Bend	trans	-71.9	139.7	176.1	-161.9	49.7	0	0	0	111.8	E572 S667 R703	E572-D665 PolarHBondContact OE1-N 3.48Å; D665-S667 PolarHBondContact O-N 2.92Å; D665-R703 IonicContact OD1-CZ 2.93Å; D665-R703 IonicContact OD1-NE 3.81Å; D665-R703 PolarHBondContact OD1-NE 2.96Å; D665-R703 IonicContact OD1-NH2 3.52Å
666	C	76.9	Confident	92	Very high	11 Å²	11	23 Å²	23	7%	0.074	11%	0.111	C	C	.	.	S	Bend	trans	60.7	-38.8	-176.3	-61.5	0	0	0	0	117.5	R806 F810 R813	C666-R806 HydrophobicContact CB-CG 4.2Å; C666-R806 PolarHBondContact SG-NE 3.35Å; C666-F810 HydrophobicContact CB-CE1 4.2Å; C666-F810 HydrophobicContact CB-CZ 4.25Å; C666-F810 VanDerWaalsContact O-CD1 3.29Å; C666-F810 WeakPolarHBondContact O-CD1 3.24Å; C666-F810 WeakPolarHBondContact O-CE1 3.41Å; C666-R813 PolarHBondContact O-NH2 2.9Å
667	S	83.2	Confident	92.1	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.007	11%	0.109	C	C	.	.	S	Bend	trans	-74.2	165.6	179.8	70	0	0	0	0	113.5	P664 D665 R813 Q879	P664-S667 WeakPolarHBondContact CB-OG 3.46Å; P664-S667 WeakPolarHBondContact CG-OG 3.44Å; D665-S667 PolarHBondContact O-N 2.92Å; S667-R813 VanDerWaalsContact O-CZ 3.32Å; S667-R813 PolarHBondContact O-NE 3.38Å; S667-R813 VanDerWaalsContact O-NE 3.08Å; S667-R813 PolarHBondContact O-NH2 3.47Å; S667-Q879 VanDerWaalsContact CB-CD 3.49Å
668	S	86.7	Confident	92.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-64.5	140.8	172.7	-173	0	0	0	0	110.4	Y816	S668-Y816 VanDerWaalsContact OG-CB 3.25Å; S668-Y816 WeakPolarHBondContact OG-CB 3.36Å
669	P	91.8	Very high	92.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.013	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-48.7	145.7	163.9	-25.1	34.4	0	0	0	110.8	L663 D673 F674 T706	L663-P669 HydrophobicContact CD1-CG 4.31Å; L663-P669 HydrophobicContact CD2-CB 3.94Å; L663-P669 HydrophobicContact CD2-CG 4.26Å; P669-D673 HydrophobicContact CB-CB 4.09Å; P669-F674 HydrophobicContact CB-CD2 4.01Å; P669-F674 HydrophobicContact CB-CE2 3.65Å; P669-F674 HydrophobicContact CB-CZ 4.13Å; P669-F674 HydrophobicContact CG-CE2 4.15Å; P669-F674 HydrophobicContact CG-CZ 4.14Å; P669-T706 HydrophobicContact CG-CG2 3.58Å
670	R	91.4	Very high	92.2	Very high	36 Å²	36	22.2 Å²	22.2	14%	0.136	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-70.4	159.7	171.6	-61.4	166.3	-74.6	-152.6	-3.3	109	S600 E672 D673 F674	S600-R670 PolarHBondContact OG-NH1 2.9Å; S600-R670 PolarHBondContact OG-NH2 3.49Å; R670-E672 VanDerWaalsContact C-N 3.25Å; R670-E672 PolarHBondContact O-N 2.65Å; R670-D673 VanDerWaalsContact CB-OD2 3.27Å; R670-D673 WeakPolarHBondContact CB-OD2 3.39Å; R670-D673 IonicContact CZ-OD2 2.92Å; R670-D673 PolarHBondContact N-OD2 3.03Å; R670-D673 IonicContact NE-OD1 2.64Å; R670-D673 IonicContact NE-OD2 2.84Å; R670-D673 PolarHBondContact NE-OD2 3.47Å; R670-D673 IonicContact NH2-OD1 3.02Å; R670-D673 IonicContact NH2-OD2 3.97Å; R670-D673 WeakPolarHBondContact O-CA 3.47Å; R670-D673 VanDerWaalsContact O-CB 3.31Å; R670-D673 WeakPolarHBondContact O-CB 3.15Å; R670-D673 PolarHBondContact O-N 3.47Å; R670-F674 WeakPolarHBondContact O-CD2 3.36Å; R670-F674 PolarHBondContact O-N 3.08Å
671	E	95.2	Very high	92.4	Very high	19 Å²	19	21.3 Å²	21.3	9%	0.089	10%	0.103	C	C	.	.	H	α-helix	trans	-57.8	-41.4	-179.5	-58.9	81.1	170.6	0	0	111.4	D673 F674 D675 Y816 F836 M840 Y850	E671-D673 PolarHBondContact O-N 3.18Å; E671-F674 WeakPolarHBondContact O-CB 3.33Å; E671-F674 PolarHBondContact O-N 3.33Å; E671-D675 PolarHBondContact O-N 3.48Å; E671-Y816 HydrophobicContact CG-CE1 3.99Å; E671-Y816 PolarHBondContact OE1-OH 3.11Å; E671-F836 HydrophobicContact CB-CD1 4.07Å; E671-F836 HydrophobicContact CB-CE1 4.19Å; E671-F836 HydrophobicContact CG-CD1 4.46Å; E671-F836 HydrophobicContact CG-CE1 4.12Å; E671-M840 HydrophobicContact CG-CB 3.99Å; E671-M840 HydrophobicContact CG-CG 3.84Å; E671-Y850 PolarHBondContact OE1-OH 3.06Å
672	E	94.7	Very high	92.4	Very high	86 Å²	86	24.7 Å²	24.7	40%	0.402	12%	0.115	S	C	.	.	H	α-helix	trans	-64.7	-26.6	174.1	-60.9	177.7	-165.6	0	0	113	K385 R670 D675 K676	K385-E672 IonicContact NZ-OE1 2.74Å; R670-E672 VanDerWaalsContact C-N 3.25Å; R670-E672 PolarHBondContact O-N 2.65Å; E672-D675 WeakPolarHBondContact O-CB 3.31Å; E672-D675 PolarHBondContact O-N 2.75Å; E672-K676 WeakPolarHBondContact O-CG 3.46Å; E672-K676 PolarHBondContact O-N 2.83Å; E672-K676 VanDerWaalsContact O-N 3.12Å
673	D	95	Very high	92.7	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-74.7	-35.1	177.8	-59.2	-38.7	0	0	0	110.7	L663 P669 R670 E671 D675 K676 L677	L663-D673 HydrophobicContact CD2-CB 3.55Å; P669-D673 HydrophobicContact CB-CB 4.09Å; R670-D673 VanDerWaalsContact CB-OD2 3.27Å; R670-D673 WeakPolarHBondContact CB-OD2 3.39Å; R670-D673 IonicContact CZ-OD2 2.92Å; R670-D673 PolarHBondContact N-OD2 3.03Å; R670-D673 IonicContact NE-OD1 2.64Å; R670-D673 IonicContact NE-OD2 2.84Å; R670-D673 PolarHBondContact NE-OD2 3.47Å; R670-D673 IonicContact NH2-OD1 3.02Å; R670-D673 IonicContact NH2-OD2 3.97Å; R670-D673 WeakPolarHBondContact O-CA 3.47Å; R670-D673 VanDerWaalsContact O-CB 3.31Å; R670-D673 WeakPolarHBondContact O-CB 3.15Å; R670-D673 PolarHBondContact O-N 3.47Å; E671-D673 PolarHBondContact O-N 3.18Å; D673-D675 VanDerWaalsContact C-N 3.34Å; D673-K676 PolarHBondContact O-N 3.23Å; D673-L677 WeakPolarHBondContact O-CG 3.44Å; D673-L677 PolarHBondContact O-N 3.49Å
674	F	97.9	Very high	93	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-41.4	169.4	-76.8	-83.8	0	0	0	111.6	P669 R670 E671 L677 H678 V710 Y816 L817 F820 F836	P669-F674 HydrophobicContact CB-CD2 4.01Å; P669-F674 HydrophobicContact CB-CE2 3.65Å; P669-F674 HydrophobicContact CB-CZ 4.13Å; P669-F674 HydrophobicContact CG-CE2 4.15Å; P669-F674 HydrophobicContact CG-CZ 4.14Å; R670-F674 WeakPolarHBondContact O-CD2 3.36Å; R670-F674 PolarHBondContact O-N 3.08Å; E671-F674 WeakPolarHBondContact O-CB 3.33Å; E671-F674 PolarHBondContact O-N 3.33Å; F674-L677 PolarHBondContact O-N 3.22Å; F674-H678 VanDerWaalsContact O-CB 3.22Å; F674-H678 WeakPolarHBondContact O-CB 3.49Å; F674-H678 PolarHBondContact O-N 3.3Å; F674-V710 HydrophobicContact CD1-CG2 3.63Å; F674-V710 HydrophobicContact CE1-CG2 3.51Å; F674-Y816 AromaticContact CE2-CD1 3.88Å; F674-Y816 HydrophobicContact CE2-CD1 3.88Å; F674-Y816 HydrophobicContact CE2-CG 4.45Å; F674-L817 HydrophobicContact CE1-CD2 4.08Å; F674-L817 HydrophobicContact CZ-CD2 4.39Å; F674-F820 HydrophobicContact CB-CD2 3.99Å; F674-F820 HydrophobicContact CB-CE2 4.03Å; F674-F820 HydrophobicContact CD1-CB 4.06Å; F674-F820 HydrophobicContact CD1-CD1 4.08Å; F674-F820 AromaticContact CD1-CD2 3.61Å; F674-F820 HydrophobicContact CD1-CD2 3.61Å; F674-F820 HydrophobicContact CD1-CE1 4.46Å; F674-F820 HydrophobicContact CD1-CE2 4.05Å; F674-F820 AromaticContact CD1-CG 3.63Å; F674-F820 HydrophobicContact CD1-CG 3.63Å; F674-F820 HydrophobicContact CD1-CZ 4.46Å; F674-F820 HydrophobicContact CE1-CB 4Å; F674-F820 HydrophobicContact CE1-CD1 4.32Å; F674-F820 HydrophobicContact CE1-CD2 4.39Å; F674-F820 AromaticContact CE1-CG 3.98Å; F674-F820 HydrophobicContact CE1-CG 3.98Å; F674-F820 HydrophobicContact CG-CD2 4.03Å; F674-F820 HydrophobicContact CG-CE2 4.45Å; F674-F820 HydrophobicContact CG-CG 4.43Å; F674-F836 HydrophobicContact CB-CB 4.47Å; F674-F836 HydrophobicContact CB-CD1 3.61Å; F674-F836 HydrophobicContact CB-CE1 4.2Å; F674-F836 HydrophobicContact CB-CG 4.3Å; F674-F836 AromaticContact CD2-CD1 3.96Å; F674-F836 HydrophobicContact CD2-CD1 3.96Å; F674-F836 AromaticContact CD2-CE1 3.67Å; F674-F836 HydrophobicContact CD2-CE1 3.67Å; F674-F836 HydrophobicContact CE2-CE1 4.23Å; F674-F836 AromaticContact CG-CD1 3.93Å; F674-F836 HydrophobicContact CG-CD1 3.93Å; F674-F836 AromaticContact CG-CE1 4Å; F674-F836 HydrophobicContact CG-CE1 4Å
675	D	98	Very high	93.5	Very high	27 Å²	27	28.6 Å²	28.6	14%	0.144	14%	0.135	C	C	.	.	H	α-helix	trans	-58.8	-50.1	176.4	-67.7	-27.8	0	0	0	111.5	E671 E672 D673 L677 H678 E679 S835 F836 S837	E671-D675 PolarHBondContact O-N 3.48Å; E672-D675 WeakPolarHBondContact O-CB 3.31Å; E672-D675 PolarHBondContact O-N 2.75Å; D673-D675 VanDerWaalsContact C-N 3.34Å; D675-L677 VanDerWaalsContact C-N 3.35Å; D675-L677 PolarHBondContact O-N 3.18Å; D675-H678 PolarHBondContact O-N 2.98Å; D675-E679 VanDerWaalsContact O-CB 3.24Å; D675-E679 WeakPolarHBondContact O-CB 3.21Å; D675-E679 PolarHBondContact O-N 3.4Å; D675-S835 WeakPolarHBondContact OD1-CB 3.37Å; D675-S835 WeakPolarHBondContact OD2-CB 3.25Å; D675-S835 PolarHBondContact OD2-OG 3.34Å; D675-F836 WeakPolarHBondContact OD1-CA 3.41Å; D675-F836 VanDerWaalsContact OD1-CB 3.25Å; D675-F836 WeakPolarHBondContact OD1-CB 3.47Å; D675-F836 PolarHBondContact OD1-N 3.43Å; D675-S837 PolarHBondContact OD1-N 2.76Å; D675-S837 WeakPolarHBondContact OD2-CB 3.43Å; D675-S837 PolarHBondContact OD2-N 3.19Å; D675-S837 PolarHBondContact OD2-OG 2.9Å
676	K	97.3	Very high	94.2	Very high	63 Å²	63	30.5 Å²	30.5	27%	0.274	16%	0.158	S	C	.	.	H	α-helix	trans	-60.6	-42.4	179.5	-70	169.5	-171.2	171.3	0	112.2	S600 I661 E672 D673 A680	S600-K676 PolarHBondContact O-NZ 2.87Å; S600-K676 VanDerWaalsContact O-NZ 3.13Å; I661-K676 HydrophobicContact CD1-CB 4.12Å; I661-K676 HydrophobicContact CG2-CB 3.96Å; I661-K676 HydrophobicContact CG2-CD 4.3Å; E672-K676 WeakPolarHBondContact O-CG 3.46Å; E672-K676 PolarHBondContact O-N 2.83Å; E672-K676 VanDerWaalsContact O-N 3.12Å; D673-K676 PolarHBondContact O-N 3.23Å; K676-A680 WeakPolarHBondContact O-CB 3.32Å; K676-A680 PolarHBondContact O-N 3.12Å
677	L	97.9	Very high	95	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-50.9	176.7	-73.8	169.8	0	0	0	110.9	I568 V570 I661 L663 D673 F674 D675 E679 A680 I681 F695 A707 V710	I568-L677 HydrophobicContact CD1-CD2 4.41Å; I568-L677 HydrophobicContact CG2-CD2 4.19Å; V570-L677 HydrophobicContact CG1-CD2 4.36Å; I661-L677 HydrophobicContact CD1-CD2 4.08Å; I661-L677 HydrophobicContact CG2-CD2 4.43Å; I661-L677 HydrophobicContact CG2-CG 4.36Å; L663-L677 HydrophobicContact CD1-CD1 4.34Å; L663-L677 HydrophobicContact CD2-CD1 4.48Å; D673-L677 WeakPolarHBondContact O-CG 3.44Å; D673-L677 PolarHBondContact O-N 3.49Å; F674-L677 PolarHBondContact O-N 3.22Å; D675-L677 VanDerWaalsContact C-N 3.35Å; D675-L677 PolarHBondContact O-N 3.18Å; L677-E679 PolarHBondContact O-N 3.02Å; L677-A680 PolarHBondContact O-N 3.2Å; L677-I681 VanDerWaalsContact O-CD1 3.27Å; L677-I681 WeakPolarHBondContact O-CD1 3.23Å; L677-I681 VanDerWaalsContact O-CG1 3.23Å; L677-I681 WeakPolarHBondContact O-CG1 3.36Å; L677-I681 PolarHBondContact O-N 3.09Å; L677-F695 HydrophobicContact CD2-CE1 4.18Å; L677-A707 HydrophobicContact CD1-CB 4.33Å; L677-A707 HydrophobicContact CD2-CB 4.22Å; L677-V710 HydrophobicContact CB-CG1 3.91Å; L677-V710 HydrophobicContact CD1-CB 4.5Å; L677-V710 HydrophobicContact CD1-CG1 4.37Å; L677-V710 HydrophobicContact CD1-CG2 4.41Å
678	H	97.8	Very high	95.6	Very high	7 Å²	7	38.2 Å²	38.2	3%	0.032	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-46.5	-178.9	-177.6	-141.4	0	0	0	111.6	F674 D675 I681 R682 F820 W832	F674-H678 VanDerWaalsContact O-CB 3.22Å; F674-H678 WeakPolarHBondContact O-CB 3.49Å; F674-H678 PolarHBondContact O-N 3.3Å; D675-H678 PolarHBondContact O-N 2.98Å; H678-I681 PolarHBondContact O-N 3.47Å; H678-R682 WeakPolarHBondContact NE2-CD 3.42Å; H678-R682 WeakPolarHBondContact O-CB 3.35Å; H678-R682 WeakPolarHBondContact O-CG 3.35Å; H678-R682 PolarHBondContact O-N 2.98Å; H678-F820 HydrophobicContact CB-CE2 4.41Å; H678-F820 HydrophobicContact CB-CZ 4.11Å; H678-W832 AromaticContact CE1-CD2 3.8Å; H678-W832 AromaticContact CE1-CG 3.63Å
679	E	97.3	Very high	95.8	Very high	114 Å²	114	41.9 Å²	41.9	53%	0.533	22%	0.218	S	C	.	.	H	α-helix	trans	-62.4	-46.6	176.4	-170.5	-167.9	160.2	0	0	111.5	D675 L677 I681 R682 N683	D675-E679 VanDerWaalsContact O-CB 3.24Å; D675-E679 WeakPolarHBondContact O-CB 3.21Å; D675-E679 PolarHBondContact O-N 3.4Å; L677-E679 PolarHBondContact O-N 3.02Å; E679-I681 VanDerWaalsContact C-N 3.3Å; E679-I681 PolarHBondContact O-N 3.18Å; E679-R682 PolarHBondContact O-N 3.11Å; E679-N683 WeakPolarHBondContact O-CB 3.39Å; E679-N683 PolarHBondContact O-N 3.17Å; E679-N683 PolarHBondContact O-OD1 2.85Å; E679-N683 PolarHBondContact OE1-ND2 3.37Å
680	A	97.8	Very high	95.9	Very high	3 Å²	3	48.3 Å²	48.3	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-41.7	179.4	0	0	0	0	0	112.2	L566 I568 K659 I661 K676 L677 A684	L566-A680 HydrophobicContact CD2-CB 4.33Å; L566-A680 WeakPolarHBondContact CD2-O 3.44Å; I568-A680 HydrophobicContact CD1-CB 4Å; K659-A680 HydrophobicContact CD-CB 3.99Å; I661-A680 HydrophobicContact CD1-CB 4.18Å; K676-A680 WeakPolarHBondContact O-CB 3.32Å; K676-A680 PolarHBondContact O-N 3.12Å; L677-A680 PolarHBondContact O-N 3.2Å; A680-A684 PolarHBondContact O-N 3.45Å
681	I	98.1	Very high	96.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67	-47	177.9	-66.9	158.1	0	0	0	110.5	L677 H678 E679 N683 A684 L685 F693 F695 V710 A711 T714	L677-I681 VanDerWaalsContact O-CD1 3.27Å; L677-I681 WeakPolarHBondContact O-CD1 3.23Å; L677-I681 VanDerWaalsContact O-CG1 3.23Å; L677-I681 WeakPolarHBondContact O-CG1 3.36Å; L677-I681 PolarHBondContact O-N 3.09Å; H678-I681 PolarHBondContact O-N 3.47Å; E679-I681 VanDerWaalsContact C-N 3.3Å; E679-I681 PolarHBondContact O-N 3.18Å; I681-N683 PolarHBondContact O-N 2.93Å; I681-A684 PolarHBondContact O-N 3.31Å; I681-L685 HydrophobicContact CG2-CD1 3.94Å; I681-L685 WeakPolarHBondContact O-CG 3.34Å; I681-L685 PolarHBondContact O-N 3.07Å; I681-F693 HydrophobicContact CB-CE1 4.22Å; I681-F693 HydrophobicContact CG1-CD1 4.19Å; I681-F693 HydrophobicContact CG1-CE1 4.18Å; I681-F693 HydrophobicContact CG2-CE1 3.93Å; I681-F693 HydrophobicContact CG2-CZ 3.99Å; I681-F695 HydrophobicContact CD1-CZ 4.3Å; I681-V710 HydrophobicContact CD1-CG1 4.41Å; I681-A711 HydrophobicContact CD1-CB 3.71Å; I681-T714 HydrophobicContact CG2-CG2 3.94Å
682	R	96.3	Very high	96.3	Very high	84 Å²	84	45.7 Å²	45.7	32%	0.317	24%	0.237	S	C	.	.	H	α-helix	trans	-61.2	-44.7	178.7	-78	-174.8	60.2	-174.5	4.6	112.5	H678 E679 A684 L685 A686 S831	H678-R682 WeakPolarHBondContact NE2-CD 3.42Å; H678-R682 WeakPolarHBondContact O-CB 3.35Å; H678-R682 WeakPolarHBondContact O-CG 3.35Å; H678-R682 PolarHBondContact O-N 2.98Å; E679-R682 PolarHBondContact O-N 3.11Å; R682-A684 PolarHBondContact O-N 3.27Å; R682-L685 PolarHBondContact O-N 2.75Å; R682-A686 WeakPolarHBondContact O-CB 3.4Å; R682-A686 PolarHBondContact O-N 2.64Å; R682-S831 PolarHBondContact NH1-O 2.89Å; R682-S831 PolarHBondContact NH2-O 3.02Å
683	N	96.7	Very high	96.5	Very high	69 Å²	69	41.6 Å²	41.6	37%	0.369	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-43.8	-179.6	-68.6	-6.6	0	0	0	110.8	E679 I681 L685 A686 E687	E679-N683 WeakPolarHBondContact O-CB 3.39Å; E679-N683 PolarHBondContact O-N 3.17Å; E679-N683 PolarHBondContact O-OD1 2.85Å; E679-N683 PolarHBondContact OE1-ND2 3.37Å; I681-N683 PolarHBondContact O-N 2.93Å; N683-L685 PolarHBondContact O-N 3.14Å; N683-A686 WeakPolarHBondContact O-CB 3.26Å; N683-A686 PolarHBondContact O-N 3.27Å; N683-E687 PolarHBondContact O-N 3.35Å; N683-E687 VanDerWaalsContact O-N 3.09Å
684	A	97.3	Very high	96.6	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.033	22%	0.218	C	C	.	.	H	α-helix	trans	-67.2	-34.7	176.5	0	0	0	0	0	113.2	L566 A680 I681 R682 A686 E687 D688 T691 F693	L566-A684 HydrophobicContact CB-CB 4.14Å; L566-A684 HydrophobicContact CD2-CB 3.74Å; L566-A684 HydrophobicContact CG-CB 4.41Å; A680-A684 PolarHBondContact O-N 3.45Å; I681-A684 PolarHBondContact O-N 3.31Å; R682-A684 PolarHBondContact O-N 3.27Å; A684-A686 VanDerWaalsContact C-N 3.31Å; A684-A686 PolarHBondContact O-N 3.32Å; A684-E687 PolarHBondContact O-N 3.49Å; A684-D688 PolarHBondContact O-N 2.94Å; A684-T691 HydrophobicContact CB-CG2 4.08Å; A684-T691 PolarHBondContact O-OG1 3.43Å; A684-F693 HydrophobicContact CB-CE1 4.2Å
685	L	95.6	Very high	96.7	Very high	24 Å²	24	41.6 Å²	41.6	13%	0.126	22%	0.218	C	C	.	.	H	α-helix	trans	-68.7	-30	173.1	-70.6	171.3	0	0	0	113.3	I681 R682 N683 E687 D688 F693 L715 L718	I681-L685 HydrophobicContact CG2-CD1 3.94Å; I681-L685 WeakPolarHBondContact O-CG 3.34Å; I681-L685 PolarHBondContact O-N 3.07Å; R682-L685 PolarHBondContact O-N 2.75Å; N683-L685 PolarHBondContact O-N 3.14Å; L685-E687 VanDerWaalsContact C-N 3.34Å; L685-D688 CarbonylContact O-C 3.51Å; L685-F693 HydrophobicContact CD1-CZ 4.41Å; L685-F693 HydrophobicContact CD2-CE2 3.99Å; L685-F693 HydrophobicContact CD2-CZ 3.74Å; L685-F693 HydrophobicContact CG-CE2 4.44Å; L685-F693 HydrophobicContact CG-CZ 3.79Å; L685-L715 HydrophobicContact CD1-CD2 3.63Å; L685-L715 HydrophobicContact CD2-CD2 4Å; L685-L715 HydrophobicContact CG-CD2 4.43Å; L685-L718 HydrophobicContact CD1-CD1 3.38Å
686	A	94.6	Very high	96.6	Very high	90 Å²	90	40.4 Å²	40.4	74%	0.744	21%	0.211	S	C	*	.	H	α-helix	trans	-71.1	-32.3	174.2	0	0	0	0	0	111.7	R682 N683 A684	R682-A686 WeakPolarHBondContact O-CB 3.4Å; R682-A686 PolarHBondContact O-N 2.64Å; N683-A686 WeakPolarHBondContact O-CB 3.26Å; N683-A686 PolarHBondContact O-N 3.27Å; A684-A686 VanDerWaalsContact C-N 3.31Å; A684-A686 PolarHBondContact O-N 3.32Å
687	E	94.8	Very high	96.3	Very high	141 Å²	141	37.4 Å²	37.4	66%	0.659	20%	0.198	S	C	*	.	H	α-helix	trans	-74.4	-48.5	172.9	-70.1	177.2	-163.5	0	0	112.1	H564 N683 A684 L685	H564-E687 IonicContact CE1-OE2 2.87Å; H564-E687 PolarHBondContact CE1-OE2 3.39Å; H564-E687 IonicContact NE2-OE2 3.16Å; N683-E687 PolarHBondContact O-N 3.35Å; N683-E687 VanDerWaalsContact O-N 3.09Å; A684-E687 PolarHBondContact O-N 3.49Å; L685-E687 VanDerWaalsContact C-N 3.34Å
688	D	94.8	Very high	95.9	Very high	34 Å²	34	37.8 Å²	37.8	18%	0.182	20%	0.201	C	C	.	.			trans	-145.5	116.9	176.8	-173.4	-20.3	0	0	0	111.8	H564 A684 L685 H690 T691	H564-D688 HydrophobicContact CB-CB 3.76Å; H564-D688 WeakPolarHBondContact CB-OD2 3.34Å; A684-D688 PolarHBondContact O-N 2.94Å; L685-D688 CarbonylContact O-C 3.51Å; D688-H690 PolarHBondContact O-N 3.31Å; D688-H690 VanDerWaalsContact O-N 3.15Å; D688-H690 WeakPolarHBondContact OD1-CA 3.27Å; D688-H690 WeakPolarHBondContact OD1-CB 3.48Å; D688-H690 IonicContact OD1-CD2 2.77Å; D688-H690 PolarHBondContact OD1-N 3.01Å; D688-T691 WeakPolarHBondContact O-CB 3.33Å; D688-T691 PolarHBondContact O-N 3.36Å; D688-T691 VanDerWaalsContact O-N 3.09Å; D688-T691 PolarHBondContact O-OG1 3.47Å
689	P	92.7	Very high	95.5	Very high	77 Å²	77	39.3 Å²	39.3	50%	0.5	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.9	-179.3	28.7	-36.2	0	0	0	114.4	K719	P689-K719 PolarHBondContact O-NZ 2.91Å
690	H	92.3	Very high	95.1	Very high	136 Å²	136	33.9 Å²	33.9	63%	0.63	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.8	10.2	177.1	-60.7	-66	0	0	0	113.3	D688 A692	D688-H690 PolarHBondContact O-N 3.31Å; D688-H690 VanDerWaalsContact O-N 3.15Å; D688-H690 WeakPolarHBondContact OD1-CA 3.27Å; D688-H690 WeakPolarHBondContact OD1-CB 3.48Å; D688-H690 IonicContact OD1-CD2 2.77Å; D688-H690 PolarHBondContact OD1-N 3.01Å; H690-A692 PolarHBondContact O-N 3.5Å
691	T	97.2	Very high	94.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.			trans	-49.1	133.4	175.4	-68	0	0	0	0	112.8	H564 L566 A684 D688 F693	H564-T691 PolarHBondContact CD2-OG1 3Å; H564-T691 WeakPolarHBondContact O-CA 3.41Å; L566-T691 HydrophobicContact CB-CG2 3.99Å; A684-T691 HydrophobicContact CB-CG2 4.08Å; A684-T691 PolarHBondContact O-OG1 3.43Å; D688-T691 WeakPolarHBondContact O-CB 3.33Å; D688-T691 PolarHBondContact O-N 3.36Å; D688-T691 VanDerWaalsContact O-N 3.09Å; D688-T691 PolarHBondContact O-OG1 3.47Å; T691-F693 HydrophobicContact CG2-CD1 4.18Å; T691-F693 HydrophobicContact CG2-CE1 3.66Å; T691-F693 HydrophobicContact CG2-CE2 4.04Å; T691-F693 HydrophobicContact CG2-CZ 3.56Å; T691-F693 WeakPolarHBondContact O-CE2 3.36Å
692	A	98.1	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.3	164.5	0	0	0	0	0	112.1	P536 Y538 H562 H564 V565 L566 H690	P536-A692 HydrophobicContact CB-CB 4.42Å; P536-A692 WeakPolarHBondContact O-CA 3.45Å; Y538-A692 HydrophobicContact CE2-CB 4.18Å; H562-A692 HydrophobicContact CB-CB 3.92Å; H564-A692 PolarHBondContact O-N 3.22Å; V565-A692 CarbonylContact C-O 3.59Å; V565-A692 WeakPolarHBondContact CA-O 3.45Å; V565-A692 HydrophobicContact CG2-CB 4.41Å; L566-A692 PolarHBondContact N-O 3.09Å; H690-A692 PolarHBondContact O-N 3.5Å
693	F	98.6	Very high	94	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122	-179.4	-57.6	-81.5	0	0	0	110	P536 V537 Y538 L566 I681 A684 L685 T691 F695 L715	P536-F693 PolarHBondContact O-N 3.41Å; V537-F693 HydrophobicContact CG2-CD2 4.35Å; Y538-F693 PolarHBondContact N-O 2.94Å; L566-F693 HydrophobicContact CB-CD1 4.02Å; L566-F693 HydrophobicContact CB-CE1 4.22Å; L566-F693 HydrophobicContact CD2-CD1 3.89Å; L566-F693 HydrophobicContact CD2-CE1 3.85Å; L566-F693 HydrophobicContact CG-CD1 4.39Å; L566-F693 WeakPolarHBondContact O-CA 3.28Å; I681-F693 HydrophobicContact CB-CE1 4.22Å; I681-F693 HydrophobicContact CG1-CD1 4.19Å; I681-F693 HydrophobicContact CG1-CE1 4.18Å; I681-F693 HydrophobicContact CG2-CE1 3.93Å; I681-F693 HydrophobicContact CG2-CZ 3.99Å; A684-F693 HydrophobicContact CB-CE1 4.2Å; L685-F693 HydrophobicContact CD1-CZ 4.41Å; L685-F693 HydrophobicContact CD2-CE2 3.99Å; L685-F693 HydrophobicContact CD2-CZ 3.74Å; L685-F693 HydrophobicContact CG-CE2 4.44Å; L685-F693 HydrophobicContact CG-CZ 3.79Å; T691-F693 HydrophobicContact CG2-CD1 4.18Å; T691-F693 HydrophobicContact CG2-CE1 3.66Å; T691-F693 HydrophobicContact CG2-CE2 4.04Å; T691-F693 HydrophobicContact CG2-CZ 3.56Å; T691-F693 WeakPolarHBondContact O-CE2 3.36Å; F693-F695 HydrophobicContact CB-CD2 4.49Å; F693-F695 HydrophobicContact CB-CE2 3.65Å; F693-F695 HydrophobicContact CB-CZ 4.11Å; F693-L715 HydrophobicContact CD2-CD1 4.25Å; F693-L715 HydrophobicContact CE2-CD1 4.25Å; F693-L715 HydrophobicContact CE2-CD2 4.23Å
694	V	98.6	Very high	93.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.9	176.2	-171.8	0	0	0	0	109.2	V540 L555 V565 L566 W567 I568	V540-V694 HydrophobicContact CG1-CG1 4.42Å; V540-V694 HydrophobicContact CG2-CG1 4.13Å; L555-V694 HydrophobicContact CD1-CG2 3.58Å; V565-V694 HydrophobicContact CG1-CG2 3.95Å; L566-V694 PolarHBondContact O-N 3.31Å; W567-V694 CarbonylContact C-O 3.05Å; W567-V694 WeakPolarHBondContact CA-O 3.23Å; W567-V694 HydrophobicContact CD2-CB 3.79Å; W567-V694 HydrophobicContact CD2-CG1 3.74Å; W567-V694 HydrophobicContact CD2-CG2 4.49Å; W567-V694 HydrophobicContact CE3-CB 3.8Å; W567-V694 HydrophobicContact CE3-CG1 3.77Å; W567-V694 HydrophobicContact CE3-CG2 4.01Å; W567-V694 HydrophobicContact CG-CB 4.19Å; W567-V694 HydrophobicContact CG-CG1 4.5Å; W567-V694 HydrophobicContact CH2-CG1 3.74Å; W567-V694 HydrophobicContact CZ2-CG1 3.67Å; W567-V694 HydrophobicContact CZ3-CB 4.27Å; W567-V694 HydrophobicContact CZ3-CG1 3.79Å; W567-V694 HydrophobicContact CZ3-CG2 4.32Å; I568-V694 PolarHBondContact N-O 3.14Å
695	F	98.3	Very high	93.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.1	179.1	-61.6	-83.9	0	0	0	111	V537 Y538 G539 V540 I568 L677 I681 F693 A707 M708 A711	V537-F695 HydrophobicContact CG1-CD2 4.3Å; V537-F695 HydrophobicContact CG1-CE2 4.08Å; Y538-F695 PolarHBondContact O-N 2.81Å; G539-F695 WeakPolarHBondContact CA-O 3.49Å; V540-F695 PolarHBondContact N-O 3.28Å; I568-F695 HydrophobicContact CB-CD1 3.86Å; I568-F695 HydrophobicContact CB-CE1 3.98Å; I568-F695 HydrophobicContact CD1-CE1 3.79Å; I568-F695 HydrophobicContact CD1-CZ 4.43Å; I568-F695 HydrophobicContact CG1-CE1 4.2Å; I568-F695 HydrophobicContact CG2-CD1 4.37Å; I568-F695 HydrophobicContact CG2-CE1 4.48Å; I568-F695 WeakPolarHBondContact O-CA 3.43Å; L677-F695 HydrophobicContact CD2-CE1 4.18Å; I681-F695 HydrophobicContact CD1-CZ 4.3Å; F693-F695 HydrophobicContact CB-CD2 4.49Å; F693-F695 HydrophobicContact CB-CE2 3.65Å; F693-F695 HydrophobicContact CB-CZ 4.11Å; F695-A707 HydrophobicContact CB-CB 4.29Å; F695-A707 HydrophobicContact CD1-CB 3.38Å; F695-A707 HydrophobicContact CE1-CB 3.81Å; F695-A707 HydrophobicContact CG-CB 3.9Å; F695-M708 HydrophobicContact CB-CG 4.25Å; F695-M708 HydrophobicContact CD2-CG 3.77Å; F695-M708 HydrophobicContact CG-CG 4.31Å; F695-A711 HydrophobicContact CE2-CB 3.65Å; F695-A711 HydrophobicContact CZ-CB 3.65Å
696	N	96.1	Very high	93.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.8	176	84.3	-80.3	0	0	0	113.4	V540 Q542 W567 I568 N569 V570	V540-N696 HydrophobicContact CG2-CB 3.49Å; V540-N696 VanDerWaalsContact CG2-CB 3.49Å; V540-N696 WeakPolarHBondContact O-CA 3.35Å; Q542-N696 PolarHBondContact OE1-ND2 3.01Å; W567-N696 PolarHBondContact NE1-OD1 3.46Å; I568-N696 PolarHBondContact O-N 2.95Å; I568-N696 VanDerWaalsContact O-N 3.09Å; N569-N696 WeakPolarHBondContact CA-OD1 3.47Å; N569-N696 VanDerWaalsContact CB-OD1 3.24Å; N569-N696 WeakPolarHBondContact CB-OD1 3.12Å; N569-N696 PolarHBondContact OD1-ND2 2.81Å; N569-N696 PolarHBondContact OD1-O 2.77Å; V570-N696 VanDerWaalsContact CG2-O 3.27Å; V570-N696 WeakPolarHBondContact CG2-O 3.47Å; V570-N696 PolarHBondContact N-O 2.93Å
697	C	92.3	Very high	93.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.			trans	-136.8	-177.7	166.4	73.6	0	0	0	0	107.9	A541 Q542 V570 N699 G700 R703 S704	A541-C697 CarbonylContact C-O 3.6Å; Q542-C697 PolarHBondContact N-O 3.33Å; V570-C697 HydrophobicContact CG2-CB 3.93Å; C697-N699 PolarHBondContact O-N 3.27Å; C697-G700 PolarHBondContact O-N 3.32Å; C697-G700 PolarHBondContact SG-N 3.07Å; C697-R703 HydrophobicContact CB-CB 3.77Å; C697-S704 PolarHBondContact N-OG 2.93Å; C697-S704 PolarHBondContact SG-OG 2.8Å
698	A	88.3	Confident	93.9	Very high	8 Å²	8	16.9 Å²	16.9	7%	0.066	9%	0.089	C	C	.	.	S	Bend	trans	-43.5	-63.6	-179.4	0	0	0	0	0	113	Q542	Q542-A698 PolarHBondContact N-O 2.94Å
699	N	89.1	Confident	94.1	Very high	39 Å²	39	15.2 Å²	15.2	21%	0.209	8%	0.08	C	C	.	.	S	Bend	trans	-101.8	1.4	-176.3	62.2	22.6	0	0	0	115.2	A514 N528 C697 K701	A514-N699 HydrophobicContact CB-CB 4.05Å; N528-N699 PolarHBondContact ND2-O 3.17Å; C697-N699 PolarHBondContact O-N 3.27Å; N699-K701 HydrophobicContact CB-CG 4.5Å; N699-K701 PolarHBondContact O-N 3.49Å; N699-K701 WeakPolarHBondContact OD1-CB 3.37Å; N699-K701 PolarHBondContact OD1-N 3.32Å
700	G	89.4	Confident	94.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	69.7	11.5	-178.7	0	0	0	0	0	115.8	R530 V540 C697	R530-G700 VanDerWaalsContact CZ-O 3.29Å; R530-G700 PolarHBondContact NH1-O 2.71Å; R530-G700 PolarHBondContact NH2-O 2.93Å; V540-G700 WeakPolarHBondContact O-CA 3.14Å; C697-G700 PolarHBondContact O-N 3.32Å; C697-G700 PolarHBondContact SG-N 3.07Å
701	K	88.4	Confident	94.6	Very high	40 Å²	40	5.1 Å²	5.1	17%	0.174	3%	0.027	C	C	.	.	S	Bend	trans	-98.3	-94.3	-176.7	-58.4	178.6	-177.4	-178.5	0	111.4	N699 T705 Y778	N699-K701 HydrophobicContact CB-CG 4.5Å; N699-K701 PolarHBondContact O-N 3.49Å; N699-K701 WeakPolarHBondContact OD1-CB 3.37Å; N699-K701 PolarHBondContact OD1-N 3.32Å; K701-T705 WeakPolarHBondContact O-CB 3.21Å; K701-T705 PolarHBondContact O-N 3.01Å; K701-T705 PolarHBondContact O-OG1 3.37Å; K701-Y778 HydrophobicContact CB-CD1 4.38Å; K701-Y778 HydrophobicContact CB-CD2 4.01Å; K701-Y778 HydrophobicContact CB-CG 3.85Å
702	S	88.8	Confident	94.7	Very high	5 Å²	5	5.1 Å²	5.1	4%	0.035	3%	0.027	C	C	.	.	H	α-helix	trans	-54.4	-62.4	-167.2	176	0	0	0	0	115.2	T706 Y778 R813	S702-T706 PolarHBondContact O-N 3.07Å; S702-T706 PolarHBondContact O-OG1 3.41Å; S702-Y778 WeakPolarHBondContact CA-OH 3.47Å; S702-Y778 VanDerWaalsContact CB-CZ 3.47Å; S702-Y778 VanDerWaalsContact CB-OH 3.28Å; S702-Y778 WeakPolarHBondContact CB-OH 3.49Å; S702-Y778 PolarHBondContact OG-OH 3.29Å; S702-R813 PolarHBondContact OG-NH1 2.71Å; S702-R813 PolarHBondContact OG-NH2 2.97Å
703	R	92.3	Very high	94.7	Very high	6 Å²	6	5.1 Å²	5.1	2%	0.023	3%	0.027	C	C	.	.	H	α-helix	trans	-71.2	-44	-175.4	-68.2	171.6	-88.2	171.1	-3	111.4	V570 E573 L663 D665 C697 T705 T706 A707	V570-R703 HydrophobicContact CG2-CB 3.83Å; E573-R703 IonicContact OE1-CZ 3.86Å; E573-R703 IonicContact OE1-NH1 3.2Å; E573-R703 PolarHBondContact OE1-NH1 3.4Å; E573-R703 IonicContact OE1-NH2 3.55Å; E573-R703 PolarHBondContact OE1-NH2 3.17Å; E573-R703 IonicContact OE2-CZ 2.59Å; E573-R703 IonicContact OE2-NH1 3.21Å; E573-R703 PolarHBondContact OE2-NH1 2.92Å; E573-R703 IonicContact OE2-NH2 3.69Å; L663-R703 HydrophobicContact CB-CB 4.42Å; L663-R703 HydrophobicContact CB-CG 4.22Å; L663-R703 WeakPolarHBondContact O-CD 3.39Å; D665-R703 IonicContact OD1-CZ 2.93Å; D665-R703 IonicContact OD1-NE 3.81Å; D665-R703 PolarHBondContact OD1-NE 2.96Å; D665-R703 IonicContact OD1-NH2 3.52Å; C697-R703 HydrophobicContact CB-CB 3.77Å; R703-T705 PolarHBondContact O-N 3.15Å; R703-T706 WeakPolarHBondContact O-CB 3.22Å; R703-T706 PolarHBondContact O-N 2.9Å; R703-A707 PolarHBondContact O-N 3.29Å; R703-A707 VanDerWaalsContact O-N 3.07Å
704	S	93.6	Very high	94.6	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-58.5	-45.5	175.3	-58.7	0	0	0	0	112.5	C697 T706 A707 M708	C697-S704 PolarHBondContact N-OG 2.93Å; C697-S704 PolarHBondContact SG-OG 2.8Å; S704-T706 VanDerWaalsContact C-N 3.28Å; S704-T706 PolarHBondContact O-N 3.2Å; S704-A707 PolarHBondContact O-N 3.02Å; S704-M708 WeakPolarHBondContact O-CB 3.47Å; S704-M708 WeakPolarHBondContact O-CG 3.11Å; S704-M708 PolarHBondContact O-N 3.37Å
705	T	93.6	Very high	94.5	Very high	3 Å²	3	5.1 Å²	5.1	2%	0.018	3%	0.027	C	C	.	.	H	α-helix	trans	-59.5	-42.4	178.3	-59.5	0	0	0	0	111	R530 K701 R703 A707 M708 V709 I769	R530-T705 PolarHBondContact NH2-OG1 3.34Å; K701-T705 WeakPolarHBondContact O-CB 3.21Å; K701-T705 PolarHBondContact O-N 3.01Å; K701-T705 PolarHBondContact O-OG1 3.37Å; R703-T705 PolarHBondContact O-N 3.15Å; T705-A707 PolarHBondContact O-N 2.64Å; T705-M708 WeakPolarHBondContact O-CB 3.25Å; T705-M708 PolarHBondContact O-N 2.71Å; T705-V709 WeakPolarHBondContact O-CG2 3.47Å; T705-V709 PolarHBondContact O-N 3.5Å; T705-I769 HydrophobicContact CG2-CG2 3.99Å
706	T	95.3	Very high	94.4	Very high	4 Å²	4	6.1 Å²	6.1	3%	0.025	3%	0.031	C	C	.	.	H	α-helix	trans	-62	-46.6	178.7	-50.9	0	0	0	0	111.5	P669 S702 R703 S704 M708 V709 V710 R813 L817	P669-T706 HydrophobicContact CG-CG2 3.58Å; S702-T706 PolarHBondContact O-N 3.07Å; S702-T706 PolarHBondContact O-OG1 3.41Å; R703-T706 WeakPolarHBondContact O-CB 3.22Å; R703-T706 PolarHBondContact O-N 2.9Å; S704-T706 VanDerWaalsContact C-N 3.28Å; S704-T706 PolarHBondContact O-N 3.2Å; T706-M708 VanDerWaalsContact C-N 3.34Å; T706-M708 PolarHBondContact O-N 3.42Å; T706-V709 PolarHBondContact O-N 3.49Å; T706-V710 WeakPolarHBondContact O-CG2 3.43Å; T706-V710 PolarHBondContact O-N 3.38Å; T706-V710 VanDerWaalsContact O-N 3.1Å; T706-R813 HydrophobicContact CG2-CG 4.27Å; T706-R813 WeakPolarHBondContact OG1-CD 3.47Å; T706-R813 PolarHBondContact OG1-NH1 2.68Å; T706-L817 HydrophobicContact CG2-CD2 4.35Å
707	A	97.2	Very high	94.5	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-65.7	-36.2	177.2	0	0	0	0	0	112.5	V570 L663 L677 F695 R703 S704 T705 V710 A711	V570-A707 HydrophobicContact CG1-CB 4.06Å; L663-A707 HydrophobicContact CD1-CB 4.42Å; L677-A707 HydrophobicContact CD1-CB 4.33Å; L677-A707 HydrophobicContact CD2-CB 4.22Å; F695-A707 HydrophobicContact CB-CB 4.29Å; F695-A707 HydrophobicContact CD1-CB 3.38Å; F695-A707 HydrophobicContact CE1-CB 3.81Å; F695-A707 HydrophobicContact CG-CB 3.9Å; R703-A707 PolarHBondContact O-N 3.29Å; R703-A707 VanDerWaalsContact O-N 3.07Å; S704-A707 PolarHBondContact O-N 3.02Å; T705-A707 PolarHBondContact O-N 2.64Å; A707-V710 PolarHBondContact O-N 2.97Å; A707-A711 PolarHBondContact O-N 3.1Å
708	M	97.9	Very high	94.5	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.3	-43.4	172.4	-70	171.7	74.8	0	0	111.8	R530 V532 V537 G539 F695 S704 T705 T706 V710 A711 V712 I769	R530-M708 HydrophobicContact CG-CE 4.23Å; V532-M708 HydrophobicContact CG2-CE 3.58Å; V537-M708 HydrophobicContact CG1-CB 4.06Å; V537-M708 HydrophobicContact CG1-CE 4.26Å; V537-M708 HydrophobicContact CG1-CG 3.98Å; G539-M708 VanDerWaalsContact CA-SD 3.55Å; F695-M708 HydrophobicContact CB-CG 4.25Å; F695-M708 HydrophobicContact CD2-CG 3.77Å; F695-M708 HydrophobicContact CG-CG 4.31Å; S704-M708 WeakPolarHBondContact O-CB 3.47Å; S704-M708 WeakPolarHBondContact O-CG 3.11Å; S704-M708 PolarHBondContact O-N 3.37Å; T705-M708 WeakPolarHBondContact O-CB 3.25Å; T705-M708 PolarHBondContact O-N 2.71Å; T706-M708 VanDerWaalsContact C-N 3.34Å; T706-M708 PolarHBondContact O-N 3.42Å; M708-V710 VanDerWaalsContact C-N 3.35Å; M708-V710 PolarHBondContact O-N 3.36Å; M708-A711 PolarHBondContact O-N 2.73Å; M708-V712 VanDerWaalsContact O-CG2 3.31Å; M708-V712 WeakPolarHBondContact O-CG2 3.46Å; M708-V712 PolarHBondContact O-N 3.27Å; M708-I769 HydrophobicContact CB-CD1 3.83Å; M708-I769 HydrophobicContact CB-CG1 4.35Å; M708-I769 HydrophobicContact CE-CG1 4.38Å; M708-I769 HydrophobicContact CE-CG2 3.84Å; M708-I769 HydrophobicContact SD-CG2 4.11Å
709	V	97.4	Very high	94.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.4	-45.6	176.1	176.4	0	0	0	0	110.6	T705 T706 A711 V712 L713 A765 L766 I769 L817	T705-V709 WeakPolarHBondContact O-CG2 3.47Å; T705-V709 PolarHBondContact O-N 3.5Å; T706-V709 PolarHBondContact O-N 3.49Å; V709-A711 VanDerWaalsContact C-N 3.27Å; V709-A711 PolarHBondContact O-N 3.33Å; V709-V712 PolarHBondContact O-N 3.26Å; V709-L713 HydrophobicContact CG1-CD1 3.73Å; V709-L713 HydrophobicContact CG1-CG 4.14Å; V709-L713 WeakPolarHBondContact O-CB 3.39Å; V709-L713 VanDerWaalsContact O-CG 3.32Å; V709-L713 WeakPolarHBondContact O-CG 3.33Å; V709-L713 PolarHBondContact O-N 3.17Å; V709-A765 HydrophobicContact CG1-CB 4.05Å; V709-L766 HydrophobicContact CG2-CD2 3.58Å; V709-L766 HydrophobicContact CG2-CG 4.22Å; V709-I769 HydrophobicContact CB-CD1 4.12Å; V709-I769 HydrophobicContact CG2-CD1 3.36Å; V709-L817 HydrophobicContact CB-CD2 4.21Å; V709-L817 HydrophobicContact CG1-CD1 4.13Å; V709-L817 HydrophobicContact CG1-CD2 3.83Å; V709-L817 HydrophobicContact CG1-CG 4.46Å
710	V	98.3	Very high	94.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56.4	-43.4	176.2	170.5	0	0	0	0	111	F674 L677 I681 T706 A707 M708 T714 L817 F820	F674-V710 HydrophobicContact CD1-CG2 3.63Å; F674-V710 HydrophobicContact CE1-CG2 3.51Å; L677-V710 HydrophobicContact CB-CG1 3.91Å; L677-V710 HydrophobicContact CD1-CB 4.5Å; L677-V710 HydrophobicContact CD1-CG1 4.37Å; L677-V710 HydrophobicContact CD1-CG2 4.41Å; I681-V710 HydrophobicContact CD1-CG1 4.41Å; T706-V710 WeakPolarHBondContact O-CG2 3.43Å; T706-V710 PolarHBondContact O-N 3.38Å; T706-V710 VanDerWaalsContact O-N 3.1Å; A707-V710 PolarHBondContact O-N 2.97Å; M708-V710 VanDerWaalsContact C-N 3.35Å; M708-V710 PolarHBondContact O-N 3.36Å; V710-T714 WeakPolarHBondContact O-CB 3.11Å; V710-T714 PolarHBondContact O-N 3.32Å; V710-T714 PolarHBondContact O-OG1 3.29Å; V710-L817 HydrophobicContact CG2-CD2 4.3Å; V710-F820 HydrophobicContact CB-CE1 4.35Å; V710-F820 HydrophobicContact CG1-CE1 3.78Å; V710-F820 HydrophobicContact CG1-CZ 3.96Å; V710-F820 HydrophobicContact CG2-CD1 4.43Å; V710-F820 HydrophobicContact CG2-CE1 4.33Å
711	A	98.4	Very high	95	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.4	-43.5	176.8	0	0	0	0	0	113.5	V537 I681 F695 A707 M708 V709 T714 L715	V537-A711 HydrophobicContact CG1-CB 4.35Å; V537-A711 HydrophobicContact CG2-CB 4.31Å; I681-A711 HydrophobicContact CD1-CB 3.71Å; F695-A711 HydrophobicContact CE2-CB 3.65Å; F695-A711 HydrophobicContact CZ-CB 3.65Å; A707-A711 PolarHBondContact O-N 3.1Å; M708-A711 PolarHBondContact O-N 2.73Å; V709-A711 VanDerWaalsContact C-N 3.27Å; V709-A711 PolarHBondContact O-N 3.33Å; A711-T714 PolarHBondContact O-N 3.19Å; A711-L715 VanDerWaalsContact O-CB 3.31Å; A711-L715 WeakPolarHBondContact O-CB 3.24Å; A711-L715 WeakPolarHBondContact O-CG 3.41Å; A711-L715 PolarHBondContact O-N 3.3Å
712	V	98.2	Very high	95	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-50.4	177.3	167.6	0	0	0	0	110.7	V532 M535 V537 M708 V709 T714 L715 W716 A765 I769	V532-V712 HydrophobicContact CB-CG2 4.41Å; V532-V712 HydrophobicContact CG1-CG2 3.96Å; V532-V712 HydrophobicContact CG2-CG2 3.93Å; M535-V712 HydrophobicContact CE-CB 4.43Å; M535-V712 HydrophobicContact CE-CG1 4.27Å; M535-V712 HydrophobicContact CE-CG2 4.36Å; M535-V712 HydrophobicContact SD-CB 4.46Å; M535-V712 HydrophobicContact SD-CG1 4.01Å; M535-V712 HydrophobicContact SD-CG2 4.05Å; V537-V712 HydrophobicContact CG1-CG2 4.49Å; M708-V712 VanDerWaalsContact O-CG2 3.31Å; M708-V712 WeakPolarHBondContact O-CG2 3.46Å; M708-V712 PolarHBondContact O-N 3.27Å; V709-V712 PolarHBondContact O-N 3.26Å; V712-T714 PolarHBondContact O-N 2.7Å; V712-L715 PolarHBondContact O-N 3.09Å; V712-W716 HydrophobicContact CG1-CD2 3.75Å; V712-W716 VanDerWaalsContact CG1-CE2 3.48Å; V712-W716 HydrophobicContact CG1-CE3 3.93Å; V712-W716 HydrophobicContact CG1-CH2 3.65Å; V712-W716 HydrophobicContact CG1-CZ2 3.43Å; V712-W716 VanDerWaalsContact CG1-CZ2 3.43Å; V712-W716 HydrophobicContact CG1-CZ3 3.9Å; V712-W716 PolarHBondContact O-N 3.21Å; V712-A765 HydrophobicContact CG1-CB 3.89Å; V712-I769 HydrophobicContact CG2-CD1 4.31Å; V712-I769 HydrophobicContact CG2-CG1 4.47Å
713	L	98	Very high	94.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-47.3	178.7	-67.2	171.7	0	0	0	111.2	V709 L715 W716 H717 V762 A765 F820 N821 L824	V709-L713 HydrophobicContact CG1-CD1 3.73Å; V709-L713 HydrophobicContact CG1-CG 4.14Å; V709-L713 WeakPolarHBondContact O-CB 3.39Å; V709-L713 VanDerWaalsContact O-CG 3.32Å; V709-L713 WeakPolarHBondContact O-CG 3.33Å; V709-L713 PolarHBondContact O-N 3.17Å; L713-L715 VanDerWaalsContact C-N 3.31Å; L713-L715 PolarHBondContact O-N 3.16Å; L713-W716 HydrophobicContact CD2-CE3 4.22Å; L713-W716 HydrophobicContact CD2-CZ3 4.42Å; L713-W716 PolarHBondContact O-N 3.39Å; L713-H717 PolarHBondContact O-CD2 3.04Å; L713-H717 PolarHBondContact O-N 3.5Å; L713-V762 HydrophobicContact CD1-CG2 4.17Å; L713-V762 HydrophobicContact CD2-CG2 4.48Å; L713-A765 HydrophobicContact CD2-CB 4.03Å; L713-A765 HydrophobicContact CG-CB 4.28Å; L713-F820 HydrophobicContact CD1-CD1 4.45Å; L713-N821 HydrophobicContact CD1-CB 4.13Å; L713-N821 HydrophobicContact CD2-CB 4.44Å; L713-L824 HydrophobicContact CB-CD1 4.05Å
714	T	97.6	Very high	93.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.7	-46	176.4	-58.3	0	0	0	0	111.3	I681 V710 A711 V712 H717 L718	I681-T714 HydrophobicContact CG2-CG2 3.94Å; V710-T714 WeakPolarHBondContact O-CB 3.11Å; V710-T714 PolarHBondContact O-N 3.32Å; V710-T714 PolarHBondContact O-OG1 3.29Å; A711-T714 PolarHBondContact O-N 3.19Å; V712-T714 PolarHBondContact O-N 2.7Å; T714-H717 WeakPolarHBondContact O-CB 3.47Å; T714-H717 PolarHBondContact O-N 3.28Å; T714-L718 HydrophobicContact CG2-CD1 4.31Å; T714-L718 WeakPolarHBondContact O-CG 2.97Å; T714-L718 PolarHBondContact O-N 3.33Å
715	L	96.9	Very high	92.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-39.8	179.8	-74.2	169.8	0	0	0	112.5	M535 V537 L685 F693 A711 V712 L713 H717 L718 K719	M535-L715 HydrophobicContact CE-CB 3.51Å; M535-L715 HydrophobicContact CE-CD1 3.79Å; M535-L715 HydrophobicContact CE-CG 4.31Å; V537-L715 HydrophobicContact CG2-CD1 3.51Å; L685-L715 HydrophobicContact CD1-CD2 3.63Å; L685-L715 HydrophobicContact CD2-CD2 4Å; L685-L715 HydrophobicContact CG-CD2 4.43Å; F693-L715 HydrophobicContact CD2-CD1 4.25Å; F693-L715 HydrophobicContact CE2-CD1 4.25Å; F693-L715 HydrophobicContact CE2-CD2 4.23Å; A711-L715 VanDerWaalsContact O-CB 3.31Å; A711-L715 WeakPolarHBondContact O-CB 3.24Å; A711-L715 WeakPolarHBondContact O-CG 3.41Å; A711-L715 PolarHBondContact O-N 3.3Å; V712-L715 PolarHBondContact O-N 3.09Å; L713-L715 VanDerWaalsContact C-N 3.31Å; L713-L715 PolarHBondContact O-N 3.16Å; L715-H717 VanDerWaalsContact C-N 3.3Å; L715-H717 PolarHBondContact O-N 3.11Å; L715-L718 PolarHBondContact O-N 2.91Å; L715-L718 VanDerWaalsContact O-N 3.14Å; L715-K719 WeakPolarHBondContact O-CB 3.43Å; L715-K719 PolarHBondContact O-N 3.33Å
716	W	96.4	Very high	90.7	Very high	22 Å²	22	41.2 Å²	41.2	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-35.3	174.3	-71.4	-16.1	0	0	0	112.3	M535 V712 L713 L718 G720 F721 P722 L764 A765	M535-W716 HydrophobicContact SD-CZ2 4.45Å; M535-W716 PolarHBondContact SD-NE1 3.2Å; M535-W716 VanDerWaalsContact SD-NE1 3.37Å; V712-W716 HydrophobicContact CG1-CD2 3.75Å; V712-W716 VanDerWaalsContact CG1-CE2 3.48Å; V712-W716 HydrophobicContact CG1-CE3 3.93Å; V712-W716 HydrophobicContact CG1-CH2 3.65Å; V712-W716 HydrophobicContact CG1-CZ2 3.43Å; V712-W716 VanDerWaalsContact CG1-CZ2 3.43Å; V712-W716 HydrophobicContact CG1-CZ3 3.9Å; V712-W716 PolarHBondContact O-N 3.21Å; L713-W716 HydrophobicContact CD2-CE3 4.22Å; L713-W716 HydrophobicContact CD2-CZ3 4.42Å; L713-W716 PolarHBondContact O-N 3.39Å; W716-L718 PolarHBondContact O-N 3.25Å; W716-G720 WeakPolarHBondContact CA-O 3.3Å; W716-G720 CarbonylContact O-C 3.59Å; W716-G720 WeakPolarHBondContact O-CA 3.5Å; W716-G720 PolarHBondContact O-N 2.92Å; W716-F721 HydrophobicContact CB-CD1 3.99Å; W716-F721 HydrophobicContact CB-CD2 4.27Å; W716-F721 HydrophobicContact CB-CE1 4.04Å; W716-F721 HydrophobicContact CB-CE2 4.32Å; W716-F721 HydrophobicContact CB-CG 4.12Å; W716-F721 HydrophobicContact CB-CZ 4.21Å; W716-F721 HydrophobicContact CD2-CD1 4.23Å; W716-F721 HydrophobicContact CD2-CE1 4.49Å; W716-F721 AromaticContact CE3-CD1 3.71Å; W716-F721 HydrophobicContact CE3-CD1 3.71Å; W716-F721 AromaticContact CE3-CE1 3.75Å; W716-F721 HydrophobicContact CE3-CE1 3.75Å; W716-F721 HydrophobicContact CG-CD1 4.4Å; W716-P722 HydrophobicContact CD2-CG 4.29Å; W716-P722 VanDerWaalsContact CE2-CD 3.49Å; W716-P722 HydrophobicContact CH2-CG 4.07Å; W716-P722 HydrophobicContact CZ2-CG 3.7Å; W716-L764 HydrophobicContact CH2-CB 4.3Å; W716-L764 HydrophobicContact CH2-CD2 4.24Å; W716-L764 HydrophobicContact CH2-CG 3.89Å; W716-L764 HydrophobicContact CZ3-CB 4.46Å; W716-L764 HydrophobicContact CZ3-CG 4.42Å; W716-A765 HydrophobicContact CH2-CB 3.93Å; W716-A765 HydrophobicContact CZ3-CB 3.72Å
717	H	96.5	Very high	89.3	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.009	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-31.4	172	-89	-74.8	0	0	0	113	L713 T714 L715 F721 N821 L824 H825 K828 W832	L713-H717 PolarHBondContact O-CD2 3.04Å; L713-H717 PolarHBondContact O-N 3.5Å; T714-H717 WeakPolarHBondContact O-CB 3.47Å; T714-H717 PolarHBondContact O-N 3.28Å; L715-H717 VanDerWaalsContact C-N 3.3Å; L715-H717 PolarHBondContact O-N 3.11Å; H717-F721 AromaticContact CD2-CZ 3.74Å; H717-F721 AromaticContact CE1-CE2 3.85Å; H717-F721 AromaticContact CE1-CZ 3.94Å; H717-F721 AromaticContact ND1-CE2 4Å; H717-F721 AromaticContact NE2-CE2 3.87Å; H717-F721 AromaticContact NE2-CZ 3.51Å; H717-N821 PolarHBondContact NE2-OD1 3.02Å; H717-L824 VanDerWaalsContact CD2-CB 3.46Å; H717-L824 WeakPolarHBondContact CD2-CB 3.37Å; H717-L824 VanDerWaalsContact NE2-CB 3.32Å; H717-L824 WeakPolarHBondContact NE2-CB 3.1Å; H717-H825 AromaticContact CE1-CD2 3.26Å; H717-H825 PolarHBondContact CE1-CD2 3.01Å; H717-H825 AromaticContact CE1-CE1 3.51Å; H717-H825 AromaticContact CE1-CG 3.39Å; H717-H825 PolarHBondContact CE1-N 2.95Å; H717-H825 AromaticContact CE1-ND1 3.56Å; H717-H825 AromaticContact CE1-NE2 3.35Å; H717-H825 PolarHBondContact CE1-NE2 3.27Å; H717-H825 VanDerWaalsContact CE1-NE2 3.35Å; H717-H825 AromaticContact NE2-CD2 3.48Å; H717-H825 PolarHBondContact NE2-CD2 3.33Å; H717-H825 AromaticContact NE2-NE2 3.55Å; H717-K828 VanDerWaalsContact O-CE 3.27Å; H717-K828 WeakPolarHBondContact O-CE 3.21Å; H717-K828 PolarHBondContact O-NZ 3.47Å; H717-W832 HydrophobicContact CB-CH2 4.2Å; H717-W832 HydrophobicContact CB-CZ2 3.9Å
718	L	93.3	Very high	88.3	Confident	85 Å²	85	51.1 Å²	51.1	45%	0.445	27%	0.274	S	S	.	.	H	α-helix	trans	-87	-38.9	178.3	-67	170.8	0	0	0	113.5	L685 T714 L715 W716 W832	L685-L718 HydrophobicContact CD1-CD1 3.38Å; T714-L718 HydrophobicContact CG2-CD1 4.31Å; T714-L718 WeakPolarHBondContact O-CG 2.97Å; T714-L718 PolarHBondContact O-N 3.33Å; L715-L718 PolarHBondContact O-N 2.91Å; L715-L718 VanDerWaalsContact O-N 3.14Å; W716-L718 PolarHBondContact O-N 3.25Å; L718-W832 HydrophobicContact CD2-CH2 3.8Å; L718-W832 HydrophobicContact CD2-CZ3 3.8Å; L718-W832 HydrophobicContact CG-CH2 4.31Å
719	K	92.4	Very high	87.4	Confident	125 Å²	125	54 Å²	54	54%	0.543	29%	0.289	S	S	.	.	H	α-helix	trans	-106.3	-9.2	-169.8	-61.2	-176.4	177.2	-176.9	0	113.8	P689 L715	P689-K719 PolarHBondContact O-NZ 2.91Å; L715-K719 WeakPolarHBondContact O-CB 3.43Å; L715-K719 PolarHBondContact O-N 3.33Å
720	G	92.3	Very high	86.7	Confident	43 Å²	43	56.7 Å²	56.7	44%	0.443	31%	0.306	S	S	.	.			trans	103.8	148.2	-173.8	0	0	0	0	0	112.3	W716	W716-G720 WeakPolarHBondContact CA-O 3.3Å; W716-G720 CarbonylContact O-C 3.59Å; W716-G720 WeakPolarHBondContact O-CA 3.5Å; W716-G720 PolarHBondContact O-N 2.92Å
721	F	92.9	Very high	85.9	Confident	63 Å²	63	57.9 Å²	57.9	28%	0.276	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-78.6	144.7	174.4	-79.6	-96.8	0	0	0	110.6	W716 H717 E761 H825	W716-F721 HydrophobicContact CB-CD1 3.99Å; W716-F721 HydrophobicContact CB-CD2 4.27Å; W716-F721 HydrophobicContact CB-CE1 4.04Å; W716-F721 HydrophobicContact CB-CE2 4.32Å; W716-F721 HydrophobicContact CB-CG 4.12Å; W716-F721 HydrophobicContact CB-CZ 4.21Å; W716-F721 HydrophobicContact CD2-CD1 4.23Å; W716-F721 HydrophobicContact CD2-CE1 4.49Å; W716-F721 AromaticContact CE3-CD1 3.71Å; W716-F721 HydrophobicContact CE3-CD1 3.71Å; W716-F721 AromaticContact CE3-CE1 3.75Å; W716-F721 HydrophobicContact CE3-CE1 3.75Å; W716-F721 HydrophobicContact CG-CD1 4.4Å; H717-F721 AromaticContact CD2-CZ 3.74Å; H717-F721 AromaticContact CE1-CE2 3.85Å; H717-F721 AromaticContact CE1-CZ 3.94Å; H717-F721 AromaticContact ND1-CE2 4Å; H717-F721 AromaticContact NE2-CE2 3.87Å; H717-F721 AromaticContact NE2-CZ 3.51Å; F721-E761 HydrophobicContact CD1-CB 4.36Å; F721-E761 HydrophobicContact CD1-CG 3.82Å; F721-E761 HydrophobicContact CE1-CB 3.82Å; F721-E761 HydrophobicContact CE1-CG 3.61Å; F721-E761 HydrophobicContact CZ-CG 4.41Å; F721-H825 AromaticContact CE2-CE1 3.82Å; F721-H825 AromaticContact CE2-NE2 3.88Å; F721-H825 AromaticContact CZ-NE2 3.64Å
722	P	88.8	Confident	84.6	Confident	55 Å²	55	64 Å²	64	36%	0.357	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-63.3	159	168.7	29.8	-36.6	0	0	0	111.1	W716 C724 L764	W716-P722 HydrophobicContact CD2-CG 4.29Å; W716-P722 VanDerWaalsContact CE2-CD 3.49Å; W716-P722 HydrophobicContact CH2-CG 4.07Å; W716-P722 HydrophobicContact CZ2-CG 3.7Å; P722-C724 PolarHBondContact O-N 3.49Å; P722-L764 HydrophobicContact CG-CD2 3.57Å; P722-L764 HydrophobicContact CG-CG 4.49Å
723	E	80.4	Confident	83.2	Confident	183 Å²	183	68.8 Å²	68.8	86%	0.855	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-62.7	118.3	170.4	-71.3	-179.2	173.8	0	0	109.5	T725	E723-T725 PolarHBondContact O-N 2.9Å; E723-T725 VanDerWaalsContact O-N 3.17Å
724	C	67.1	Low	82.3	Confident	58 Å²	58	69.1 Å²	69.1	39%	0.392	38%	0.384	S	S	.	.			trans	-72.3	104.4	172	-84.8	0	0	0	0	109.2	P722 K760	P722-C724 PolarHBondContact O-N 3.49Å; C724-K760 HydrophobicContact CB-CD 4.45Å
725	T	68.4	Low	81.7	Confident	84 Å²	84	70.9 Å²	70.9	52%	0.515	40%	0.398	S	S	.	.			trans	-72.6	165.6	162.6	56.1	0	0	0	0	110.2	E723 D727 K760	E723-T725 PolarHBondContact O-N 2.9Å; E723-T725 VanDerWaalsContact O-N 3.17Å; T725-D727 VanDerWaalsContact C-N 3.27Å; T725-K760 PolarHBondContact O-NZ 3.45Å
726	D	61.3	Low	81.3	Confident	140 Å²	140	74.8 Å²	74.8	75%	0.749	42%	0.415	S	S	*	.	S	Bend	trans	-87.5	1.9	174.6	-73.3	-26.6	0	0	0	113	E728 K760	D726-E728 PolarHBondContact O-N 3.42Å; D726-E728 VanDerWaalsContact O-N 3.07Å; D726-K760 IonicContact OD1-NZ 3.42Å; D726-K760 PolarHBondContact OD1-NZ 3.29Å
727	D	66.3	Low	81	Confident	141 Å²	141	75.2 Å²	75.2	75%	0.754	42%	0.417	S	S	*	.			trans	-79	88.9	177.5	-60.7	-37	0	0	0	110.1	T725	T725-D727 VanDerWaalsContact C-N 3.27Å
728	E	75.4	Confident	80.7	Confident	71 Å²	71	75.1 Å²	75.1	33%	0.332	42%	0.416	S	S	.	.			trans	-91.5	134.3	175.1	-169.9	177.4	-170.6	0	0	111	D726 V730 K739 R781	D726-E728 PolarHBondContact O-N 3.42Å; D726-E728 VanDerWaalsContact O-N 3.07Å; E728-V730 HydrophobicContact CG-CG1 4.22Å; E728-V730 PolarHBondContact O-N 3.4Å; E728-K739 WeakPolarHBondContact OE2-CG 3.49Å; E728-R781 IonicContact OE1-CZ 2.76Å; E728-R781 IonicContact OE1-NH1 3.61Å; E728-R781 PolarHBondContact OE1-NH1 3.44Å; E728-R781 IonicContact OE1-NH2 3.61Å
729	I	79.4	Confident	80.6	Confident	62 Å²	62	74.4 Å²	74.4	32%	0.318	41%	0.41	S	S	.	.			trans	-75.1	123	175.4	-46.6	179.7	0	0	0	108.1	D767 M773	I729-D767 HydrophobicContact CD1-CB 3.98Å; I729-D767 HydrophobicContact CG1-CB 4.38Å; I729-M773 HydrophobicContact CB-CB 4.42Å; I729-M773 HydrophobicContact CB-CE 4.46Å; I729-M773 HydrophobicContact CG2-CB 3.54Å; I729-M773 WeakPolarHBondContact O-CE 3.24Å
730	V	83	Confident	80.6	Confident	56 Å²	56	68.5 Å²	68.5	34%	0.339	38%	0.384	S	S	.	.			trans	-135.3	147.8	-178.7	-65.1	0	0	0	0	112.1	E728 K739	E728-V730 HydrophobicContact CG-CG1 4.22Å; E728-V730 PolarHBondContact O-N 3.4Å; V730-K739 HydrophobicContact CG1-CD 4.35Å; V730-K739 HydrophobicContact CG1-CG 3.58Å
731	S	80.4	Confident	80.6	Confident	25 Å²	25	70.4 Å²	70.4	18%	0.175	38%	0.382	C	S	.	.			trans	-92.4	121.7	169.6	-173.5	0	0	0	0	109	D734 A735 T738	S731-D734 CarbonylContact O-C 3.39Å; S731-D734 VanDerWaalsContact O-C 3.24Å; S731-D734 PolarHBondContact O-N 3.27Å; S731-A735 VanDerWaalsContact O-CA 3.3Å; S731-A735 WeakPolarHBondContact O-CA 3.41Å; S731-A735 PolarHBondContact O-N 3.18Å; S731-T738 PolarHBondContact N-OG1 2.87Å; S731-T738 VanDerWaalsContact N-OG1 3.15Å
732	V	71.3	Confident	80.7	Confident	129 Å²	129	67.5 Å²	67.5	78%	0.782	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-60	-41	-170	-175.9	0	0	0	0	115.3	D734	V732-D734 PolarHBondContact O-N 2.96Å
733	P	69.3	Low	80.9	Confident	100 Å²	100	68.7 Å²	68.7	65%	0.649	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-66.1	-21.6	176.7	26.9	-33.8	0	0	0	112.4
734	D	79.3	Confident	81.6	Confident	7 Å²	7	60.1 Å²	60.1	4%	0.037	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-129.4	27.2	-163.8	-63.3	11.9	0	0	0	110.9	S731 V732 K736 Y737 T738 I785 R789	S731-D734 CarbonylContact O-C 3.39Å; S731-D734 VanDerWaalsContact O-C 3.24Å; S731-D734 PolarHBondContact O-N 3.27Å; V732-D734 PolarHBondContact O-N 2.96Å; D734-K736 VanDerWaalsContact C-N 3.29Å; D734-K736 PolarHBondContact O-N 2.82Å; D734-K736 VanDerWaalsContact O-N 3.17Å; D734-Y737 PolarHBondContact O-N 3.15Å; D734-T738 HydrophobicContact CB-CG2 4.11Å; D734-T738 PolarHBondContact O-N 3.26Å; D734-T738 PolarHBondContact O-OG1 3.26Å; D734-I785 HydrophobicContact CB-CG2 4.26Å; D734-R789 IonicContact OD1-CZ 3.95Å; D734-R789 IonicContact OD1-NE 2.64Å; D734-R789 IonicContact OD1-NH1 3.4Å; D734-R789 PolarHBondContact OD1-NH1 3.33Å; D734-R789 IonicContact OD1-NH2 2.8Å; D734-R789 PolarHBondContact OD1-NH2 2.86Å; D734-R789 IonicContact OD2-CZ 3.78Å; D734-R789 IonicContact OD2-NE 3.59Å; D734-R789 PolarHBondContact OD2-NE 2.87Å; D734-R789 IonicContact OD2-NH1 2.77Å; D734-R789 PolarHBondContact OD2-NH1 2.92Å; D734-R789 IonicContact OD2-NH2 3.28Å; D734-R789 PolarHBondContact OD2-NH2 2.78Å
735	A	84.9	Confident	83.1	Confident	36 Å²	36	57.4 Å²	57.4	30%	0.298	31%	0.311	S	S	.	.	H	α-helix	trans	-54.8	-44	-167.3	0	0	0	0	0	112.1	S731 Y737 T738 K739	S731-A735 VanDerWaalsContact O-CA 3.3Å; S731-A735 WeakPolarHBondContact O-CA 3.41Å; S731-A735 PolarHBondContact O-N 3.18Å; A735-Y737 PolarHBondContact O-N 3.26Å; A735-T738 WeakPolarHBondContact CA-OG1 3.35Å; A735-T738 PolarHBondContact O-OG1 3.07Å; A735-K739 VanDerWaalsContact O-CB 3.26Å; A735-K739 WeakPolarHBondContact O-CB 3.37Å; A735-K739 WeakPolarHBondContact O-CG 3.37Å; A735-K739 PolarHBondContact O-N 3.36Å
736	K	89.3	Confident	84.4	Confident	84 Å²	84	54.9 Å²	54.9	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-54.5	-49.3	174.5	-179	-171.5	168.1	-165	0	112.1	D734 E741 E860	D734-K736 VanDerWaalsContact C-N 3.29Å; D734-K736 PolarHBondContact O-N 2.82Å; D734-K736 VanDerWaalsContact O-N 3.17Å; K736-E741 WeakPolarHBondContact CE-O 3.33Å; K736-E741 HydrophobicContact CG-CB 3.96Å; K736-E741 WeakPolarHBondContact O-CB 3.38Å; K736-E741 PolarHBondContact O-N 3.01Å; K736-E860 IonicContact NZ-OE1 3.91Å; K736-E860 PolarHBondContact NZ-OE1 3.05Å
737	Y	89.5	Confident	86.1	Confident	30 Å²	30	52.5 Å²	52.5	12%	0.118	27%	0.274	C	S	.	.	H	α-helix	trans	-78.2	-35.9	-173.9	-57.3	-65.4	0	0	0	112.6	D734 A735 K739 G740 F742 I785 F861	D734-Y737 PolarHBondContact O-N 3.15Å; A735-Y737 PolarHBondContact O-N 3.26Å; Y737-K739 VanDerWaalsContact C-N 3.29Å; Y737-K739 PolarHBondContact O-N 3.21Å; Y737-G740 WeakPolarHBondContact O-CA 3.38Å; Y737-G740 PolarHBondContact O-N 3.25Å; Y737-F742 AromaticContact CD1-CD1 3.66Å; Y737-F742 HydrophobicContact CD1-CD1 3.66Å; Y737-F742 AromaticContact CD1-CE1 3.44Å; Y737-F742 HydrophobicContact CD1-CE1 3.44Å; Y737-F742 VanDerWaalsContact CD1-CE1 3.44Å; Y737-F742 HydrophobicContact CD1-CZ 4.16Å; Y737-F742 HydrophobicContact CE1-CD1 4.27Å; Y737-F742 HydrophobicContact CE1-CE1 4.34Å; Y737-F742 HydrophobicContact CG-CE1 4.07Å; Y737-F742 HydrophobicContact CG-CZ 4.46Å; Y737-F742 WeakPolarHBondContact O-CE2 3.42Å; Y737-I785 HydrophobicContact CD1-CD1 4.24Å; Y737-I785 HydrophobicContact CD2-CD1 3.76Å; Y737-I785 HydrophobicContact CD2-CG1 3.84Å; Y737-I785 HydrophobicContact CE2-CD1 4.18Å; Y737-I785 HydrophobicContact CG-CB 4.36Å; Y737-I785 HydrophobicContact CG-CD1 3.8Å; Y737-I785 HydrophobicContact CG-CG1 3.9Å; Y737-F861 HydrophobicContact CE1-CE2 4.36Å; Y737-F861 HydrophobicContact CE1-CZ 4.24Å; Y737-F861 HydrophobicContact CE2-CZ 4.18Å; Y737-F861 AromaticContact CZ-CZ 3.57Å; Y737-F861 WeakPolarHBondContact OH-CZ 3.47Å
738	T	89.2	Confident	87.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-70.6	-27	173.8	50.6	0	0	0	0	112.5	S731 D734 A735 G740 M773 R781 E782	S731-T738 PolarHBondContact N-OG1 2.87Å; S731-T738 VanDerWaalsContact N-OG1 3.15Å; D734-T738 HydrophobicContact CB-CG2 4.11Å; D734-T738 PolarHBondContact O-N 3.26Å; D734-T738 PolarHBondContact O-OG1 3.26Å; A735-T738 WeakPolarHBondContact CA-OG1 3.35Å; A735-T738 PolarHBondContact O-OG1 3.07Å; T738-G740 PolarHBondContact O-N 3.43Å; T738-M773 HydrophobicContact CG2-CG 3.98Å; T738-M773 HydrophobicContact CG2-SD 4.07Å; T738-R781 WeakPolarHBondContact O-CB 3.43Å; T738-R781 VanDerWaalsContact O-CD 3.24Å; T738-R781 WeakPolarHBondContact O-CD 3.03Å; T738-R781 VanDerWaalsContact O-CZ 3.25Å; T738-R781 PolarHBondContact O-NE 2.91Å; T738-R781 PolarHBondContact O-NH1 2.83Å; T738-E782 HydrophobicContact CG2-CB 4.43Å; T738-E782 WeakPolarHBondContact CG2-OE2 2.94Å
739	K	91.2	Very high	88.7	Confident	71 Å²	71	42.6 Å²	42.6	31%	0.309	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-4.6	162.4	-71.8	179.6	175.4	-168.4	0	114	E728 V730 A735 Y737 E741 K759	E728-K739 WeakPolarHBondContact OE2-CG 3.49Å; V730-K739 HydrophobicContact CG1-CD 4.35Å; V730-K739 HydrophobicContact CG1-CG 3.58Å; A735-K739 VanDerWaalsContact O-CB 3.26Å; A735-K739 WeakPolarHBondContact O-CB 3.37Å; A735-K739 WeakPolarHBondContact O-CG 3.37Å; A735-K739 PolarHBondContact O-N 3.36Å; Y737-K739 VanDerWaalsContact C-N 3.29Å; Y737-K739 PolarHBondContact O-N 3.21Å; K739-E741 VanDerWaalsContact C-N 3.29Å; K739-E741 HydrophobicContact CB-CG 3.91Å; K739-E741 PolarHBondContact O-N 3.42Å; K739-K759 WeakPolarHBondContact O-CE 3.48Å; K739-K759 PolarHBondContact O-NZ 2.74Å
740	G	92.4	Very high	89.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	19	-178.2	0	0	0	0	0	114.3	Y737 T738 F742 K759	Y737-G740 WeakPolarHBondContact O-CA 3.38Å; Y737-G740 PolarHBondContact O-N 3.25Å; T738-G740 PolarHBondContact O-N 3.43Å; G740-F742 PolarHBondContact O-N 3.26Å; G740-K759 WeakPolarHBondContact O-CE 3.21Å
741	E	93.2	Very high	90.2	Very high	84 Å²	84	48.4 Å²	48.4	39%	0.393	24%	0.241	S	C	.	.			trans	-84	46.1	-178	-58.5	-179.8	156	0	0	112.6	K736 K739	K736-E741 WeakPolarHBondContact CE-O 3.33Å; K736-E741 HydrophobicContact CG-CB 3.96Å; K736-E741 WeakPolarHBondContact O-CB 3.38Å; K736-E741 PolarHBondContact O-N 3.01Å; K739-E741 VanDerWaalsContact C-N 3.29Å; K739-E741 HydrophobicContact CB-CG 3.91Å; K739-E741 PolarHBondContact O-N 3.42Å
742	F	94.4	Very high	91.1	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.237	C	C	.	.			trans	-70.1	139.8	171.6	-58.1	-86.1	0	0	0	109.8	Y737 G740 V744 V745 M746 I784 L811 F858	Y737-F742 AromaticContact CD1-CD1 3.66Å; Y737-F742 HydrophobicContact CD1-CD1 3.66Å; Y737-F742 AromaticContact CD1-CE1 3.44Å; Y737-F742 HydrophobicContact CD1-CE1 3.44Å; Y737-F742 VanDerWaalsContact CD1-CE1 3.44Å; Y737-F742 HydrophobicContact CD1-CZ 4.16Å; Y737-F742 HydrophobicContact CE1-CD1 4.27Å; Y737-F742 HydrophobicContact CE1-CE1 4.34Å; Y737-F742 HydrophobicContact CG-CE1 4.07Å; Y737-F742 HydrophobicContact CG-CZ 4.46Å; Y737-F742 WeakPolarHBondContact O-CE2 3.42Å; G740-F742 PolarHBondContact O-N 3.26Å; F742-V744 VanDerWaalsContact C-N 3.28Å; F742-V744 PolarHBondContact O-N 2.95Å; F742-V745 HydrophobicContact CB-CB 4.2Å; F742-V745 HydrophobicContact CB-CG2 3.93Å; F742-V745 HydrophobicContact CD2-CG2 4.14Å; F742-V745 HydrophobicContact CG-CG2 4.47Å; F742-V745 WeakPolarHBondContact O-CB 3.22Å; F742-V745 PolarHBondContact O-N 3.27Å; F742-M746 WeakPolarHBondContact O-CG 3.27Å; F742-M746 PolarHBondContact O-N 3.08Å; F742-I784 HydrophobicContact CE1-CG2 3.69Å; F742-I784 HydrophobicContact CE2-CB 4.4Å; F742-I784 HydrophobicContact CE2-CD1 4.02Å; F742-I784 HydrophobicContact CE2-CG2 4.06Å; F742-I784 HydrophobicContact CZ-CB 3.88Å; F742-I784 HydrophobicContact CZ-CD1 4.36Å; F742-I784 HydrophobicContact CZ-CG2 3.41Å; F742-I784 VanDerWaalsContact CZ-CG2 3.41Å; F742-L811 HydrophobicContact CB-CD1 3.93Å; F742-L811 HydrophobicContact CD1-CD1 4.19Å; F742-L811 HydrophobicContact CD2-CD1 3.6Å; F742-L811 HydrophobicContact CE2-CD1 4.14Å; F742-L811 HydrophobicContact CG-CD1 3.63Å; F742-F858 AromaticContact CD1-CD1 3.94Å; F742-F858 HydrophobicContact CD1-CD1 3.94Å; F742-F858 AromaticContact CD1-CE1 3.7Å; F742-F858 HydrophobicContact CD1-CE1 3.7Å; F742-F858 HydrophobicContact CE1-CD1 4.24Å; F742-F858 AromaticContact CE1-CE1 3.69Å; F742-F858 HydrophobicContact CE1-CE1 3.69Å
743	E	94.2	Very high	92.2	Very high	80 Å²	80	45.3 Å²	45.3	37%	0.374	22%	0.221	S	C	.	.	H	α-helix	trans	-54.1	-44.1	-176.7	-178.4	169.7	-168.6	0	0	112.9	V745 M746 R747 S859 E860	E743-V745 PolarHBondContact O-N 2.8Å; E743-M746 PolarHBondContact O-N 2.87Å; E743-R747 PolarHBondContact O-N 3.09Å; E743-S859 WeakPolarHBondContact CB-OG 3.5Å; E743-S859 WeakPolarHBondContact OE2-CB 3.44Å; E743-S859 PolarHBondContact OE2-OG 3.28Å; E743-E860 HydrophobicContact CB-CG 4.42Å; E743-E860 PolarHBondContact N-OE1 3.45Å; E743-E860 VanDerWaalsContact N-OE1 3.13Å
744	V	94.9	Very high	93.5	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.024	22%	0.218	C	C	.	.	H	α-helix	trans	-66	-35.6	177.9	68	0	0	0	0	113.3	F742 M746 R747 V748 L811 I815 I852 L856	F742-V744 VanDerWaalsContact C-N 3.28Å; F742-V744 PolarHBondContact O-N 2.95Å; V744-M746 VanDerWaalsContact C-N 3.33Å; V744-R747 WeakPolarHBondContact O-CB 3.31Å; V744-R747 PolarHBondContact O-N 2.93Å; V744-V748 PolarHBondContact O-N 2.7Å; V744-L811 HydrophobicContact CG1-CD1 4.41Å; V744-L811 HydrophobicContact CG1-CD2 3.63Å; V744-L811 HydrophobicContact CG1-CG 4.17Å; V744-I815 HydrophobicContact CG1-CD1 4.35Å; V744-I815 HydrophobicContact CG2-CD1 4.45Å; V744-I852 HydrophobicContact CG2-CG2 3.59Å; V744-L856 HydrophobicContact CB-CD1 4.49Å; V744-L856 HydrophobicContact CG1-CD1 3.88Å; V744-L856 HydrophobicContact CG2-CD1 3.85Å
745	V	97.6	Very high	94.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-43.7	172.2	172.3	0	0	0	0	109.6	F742 E743 R747 V748 V749 K759 L811 Y814 I815 I818	F742-V745 HydrophobicContact CB-CB 4.2Å; F742-V745 HydrophobicContact CB-CG2 3.93Å; F742-V745 HydrophobicContact CD2-CG2 4.14Å; F742-V745 HydrophobicContact CG-CG2 4.47Å; F742-V745 WeakPolarHBondContact O-CB 3.22Å; F742-V745 PolarHBondContact O-N 3.27Å; E743-V745 PolarHBondContact O-N 2.8Å; V745-R747 VanDerWaalsContact C-N 3.28Å; V745-R747 PolarHBondContact O-N 2.74Å; V745-V748 PolarHBondContact O-N 3.4Å; V745-V748 VanDerWaalsContact O-N 3.12Å; V745-V749 HydrophobicContact CG1-CG2 4.23Å; V745-V749 WeakPolarHBondContact O-CG2 3.48Å; V745-V749 PolarHBondContact O-N 3.03Å; V745-K759 HydrophobicContact CG1-CD 4.34Å; V745-L811 HydrophobicContact CG2-CD1 3.67Å; V745-Y814 HydrophobicContact CG1-CD1 4.38Å; V745-Y814 HydrophobicContact CG1-CE1 3.87Å; V745-Y814 HydrophobicContact CG2-CD1 3.83Å; V745-Y814 HydrophobicContact CG2-CE1 4.04Å; V745-I815 HydrophobicContact CG2-CD1 4.24Å; V745-I815 HydrophobicContact CG2-CG1 3.81Å; V745-I818 HydrophobicContact CG1-CD1 3.85Å
746	M	97	Very high	94.9	Very high	32 Å²	32	49.7 Å²	49.7	16%	0.158	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-28.6	179.9	-62.4	-48.1	-62.1	0	0	112.6	F742 E743 V744 V749 R750 H756 K759	F742-M746 WeakPolarHBondContact O-CG 3.27Å; F742-M746 PolarHBondContact O-N 3.08Å; E743-M746 PolarHBondContact O-N 2.87Å; V744-M746 VanDerWaalsContact C-N 3.33Å; M746-V749 HydrophobicContact CE-CB 4.37Å; M746-V749 HydrophobicContact CE-CG1 4.05Å; M746-R750 VanDerWaalsContact O-CG 3.26Å; M746-R750 WeakPolarHBondContact O-CG 3.28Å; M746-R750 PolarHBondContact O-N 2.85Å; M746-R750 PolarHBondContact O-NE 2.9Å; M746-H756 VanDerWaalsContact CE-CE1 3.42Å; M746-H756 WeakPolarHBondContact CE-CE1 3.29Å; M746-K759 HydrophobicContact SD-CD 4.49Å
747	R	96.7	Very high	95.2	Very high	89 Å²	89	51.5 Å²	51.5	34%	0.336	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-46.1	169	-72.9	176.7	63.3	-175	-0.7	111.4	E743 V744 V745 R750 L751 I852	E743-R747 PolarHBondContact O-N 3.09Å; V744-R747 WeakPolarHBondContact O-CB 3.31Å; V744-R747 PolarHBondContact O-N 2.93Å; V745-R747 VanDerWaalsContact C-N 3.28Å; V745-R747 PolarHBondContact O-N 2.74Å; R747-R750 PolarHBondContact O-N 3.09Å; R747-L751 PolarHBondContact O-N 2.9Å; R747-I852 HydrophobicContact CB-CD1 4.31Å; R747-I852 HydrophobicContact CB-CG2 4.33Å
748	V	97.6	Very high	95.5	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-46.4	175.6	177.5	0	0	0	0	110.7	V744 V745 R750 L751 L752 I815 L819 I852	V744-V748 PolarHBondContact O-N 2.7Å; V745-V748 PolarHBondContact O-N 3.4Å; V745-V748 VanDerWaalsContact O-N 3.12Å; V748-R750 VanDerWaalsContact C-N 3.28Å; V748-R750 PolarHBondContact O-N 2.78Å; V748-L751 WeakPolarHBondContact O-CA 3.46Å; V748-L751 WeakPolarHBondContact O-CB 3.33Å; V748-L751 PolarHBondContact O-N 2.86Å; V748-L752 HydrophobicContact CG1-CD1 3.71Å; V748-L752 HydrophobicContact CG1-CG 4.11Å; V748-L752 WeakPolarHBondContact O-CG 3.33Å; V748-L752 PolarHBondContact O-N 2.75Å; V748-L752 VanDerWaalsContact O-N 3.13Å; V748-I815 HydrophobicContact CG1-CG2 4.25Å; V748-I815 HydrophobicContact CG2-CG2 3.97Å; V748-L819 HydrophobicContact CG1-CD2 4.03Å; V748-L819 HydrophobicContact CG1-CG 4.46Å; V748-I852 HydrophobicContact CG2-CB 4.44Å; V748-I852 HydrophobicContact CG2-CD1 4.13Å; V748-I852 HydrophobicContact CG2-CG2 3.83Å
749	V	98.1	Very high	95.9	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-56.9	-40.1	178.5	163.9	0	0	0	0	112.5	V745 M746 L751 L752 G755 H756 K759	V745-V749 HydrophobicContact CG1-CG2 4.23Å; V745-V749 WeakPolarHBondContact O-CG2 3.48Å; V745-V749 PolarHBondContact O-N 3.03Å; M746-V749 HydrophobicContact CE-CB 4.37Å; M746-V749 HydrophobicContact CE-CG1 4.05Å; V749-L751 VanDerWaalsContact C-N 3.27Å; V749-L751 PolarHBondContact O-N 2.98Å; V749-L752 PolarHBondContact O-N 2.79Å; V749-G755 WeakPolarHBondContact O-CA 3.32Å; V749-H756 HydrophobicContact CG1-CB 4.46Å; V749-K759 HydrophobicContact CG2-CB 4.05Å; V749-K759 HydrophobicContact CG2-CD 3.91Å; V749-K759 HydrophobicContact CG2-CG 4.47Å
750	R	97.4	Very high	96.1	Very high	171 Å²	171	51.9 Å²	51.9	65%	0.645	24%	0.241	S	C	*	.	H	α-helix	trans	-66.5	-29.3	176.2	-74.2	175.8	-126.5	159.9	-0.4	113.1	M746 R747 V748	M746-R750 VanDerWaalsContact O-CG 3.26Å; M746-R750 WeakPolarHBondContact O-CG 3.28Å; M746-R750 PolarHBondContact O-N 2.85Å; M746-R750 PolarHBondContact O-NE 2.9Å; R747-R750 PolarHBondContact O-N 3.09Å; V748-R750 VanDerWaalsContact C-N 3.28Å; V748-R750 PolarHBondContact O-N 2.78Å
751	L	97.2	Very high	96.2	Very high	69 Å²	69	52.2 Å²	52.2	36%	0.361	24%	0.242	S	C	.	.	H	α-helix	trans	-76.2	-32.1	178.9	-179.4	65.4	0	0	0	112.1	R747 V748 V749 A847 V849 I852	R747-L751 PolarHBondContact O-N 2.9Å; V748-L751 WeakPolarHBondContact O-CA 3.46Å; V748-L751 WeakPolarHBondContact O-CB 3.33Å; V748-L751 PolarHBondContact O-N 2.86Å; V749-L751 VanDerWaalsContact C-N 3.27Å; V749-L751 PolarHBondContact O-N 2.98Å; L751-A847 HydrophobicContact CD1-CB 4.49Å; L751-A847 WeakPolarHBondContact CD1-O 3.06Å; L751-A847 HydrophobicContact CD2-CB 4.31Å; L751-A847 VanDerWaalsContact CD2-O 3.28Å; L751-A847 WeakPolarHBondContact CD2-O 3.25Å; L751-V849 HydrophobicContact CD2-CG2 3.7Å; L751-I852 HydrophobicContact CD2-CD1 4.06Å
752	L	97.5	Very high	96.4	Very high	18 Å²	18	48.2 Å²	48.2	9%	0.094	22%	0.224	C	C	.	.	S	Bend	trans	-84.7	142	-171.5	-62.3	173.9	0	0	0	113.1	V748 V749 D754 G755 I818 L819 T822	V748-L752 HydrophobicContact CG1-CD1 3.71Å; V748-L752 HydrophobicContact CG1-CG 4.11Å; V748-L752 WeakPolarHBondContact O-CG 3.33Å; V748-L752 PolarHBondContact O-N 2.75Å; V748-L752 VanDerWaalsContact O-N 3.13Å; V749-L752 PolarHBondContact O-N 2.79Å; L752-D754 PolarHBondContact O-N 2.84Å; L752-G755 PolarHBondContact O-N 2.69Å; L752-I818 HydrophobicContact CD1-CG2 3.83Å; L752-L819 HydrophobicContact CD1-CD2 4.12Å; L752-L819 HydrophobicContact CD2-CD2 3.9Å; L752-T822 HydrophobicContact CB-CG2 4.39Å; L752-T822 HydrophobicContact CD2-CG2 4.11Å
753	P	95.8	Very high	96.4	Very high	71 Å²	71	48.5 Å²	48.5	46%	0.461	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	128.2	168.5	-21.4	32.3	0	0	0	111.3	G755	P753-G755 PolarHBondContact O-N 2.9Å
754	D	96.6	Very high	96.4	Very high	106 Å²	106	46.8 Å²	46.8	57%	0.567	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	31.3	-173	-53.8	-44.5	0	0	0	113.8	L752 H756 K757 R758	L752-D754 PolarHBondContact O-N 2.84Å; D754-H756 VanDerWaalsContact C-N 3.26Å; D754-H756 PolarHBondContact O-N 3.3Å; D754-K757 HydrophobicContact CB-CB 4.25Å; D754-K757 WeakPolarHBondContact O-CA 2.98Å; D754-K757 WeakPolarHBondContact O-CB 3.43Å; D754-K757 PolarHBondContact O-N 3.11Å; D754-R758 PolarHBondContact O-N 3.08Å; D754-R758 IonicContact OD2-CZ 3.07Å; D754-R758 IonicContact OD2-NH1 3.91Å; D754-R758 IonicContact OD2-NH2 3.97Å; D754-R758 PolarHBondContact OD2-NH2 2.77Å
755	G	97.1	Very high	96.4	Very high	4 Å²	4	46.6 Å²	46.6	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-53.8	-37	-167	0	0	0	0	0	114.9	V749 L752 P753 K757 R758 K759	V749-G755 WeakPolarHBondContact O-CA 3.32Å; L752-G755 PolarHBondContact O-N 2.69Å; P753-G755 PolarHBondContact O-N 2.9Å; G755-K757 VanDerWaalsContact C-N 3.33Å; G755-K757 PolarHBondContact O-N 2.88Å; G755-R758 PolarHBondContact O-N 3.44Å; G755-K759 WeakPolarHBondContact O-CB 3.46Å; G755-K759 PolarHBondContact O-N 2.73Å
756	H	96.4	Very high	96.2	Very high	126 Å²	126	46.7 Å²	46.7	58%	0.583	22%	0.218	S	C	*	.	H	α-helix	trans	-62.2	-40.7	176.3	-76.2	-84.6	0	0	0	112.2	M746 V749 D754 K760	M746-H756 VanDerWaalsContact CE-CE1 3.42Å; M746-H756 WeakPolarHBondContact CE-CE1 3.29Å; V749-H756 HydrophobicContact CG1-CB 4.46Å; D754-H756 VanDerWaalsContact C-N 3.26Å; D754-H756 PolarHBondContact O-N 3.3Å; H756-K760 PolarHBondContact O-N 3.31Å
757	K	95.4	Very high	95.9	Very high	121 Å²	121	46 Å²	46	53%	0.526	22%	0.215	S	C	.	.	H	α-helix	trans	-67.9	-44.6	175.9	-177.1	178	177.2	179	0	110.6	D754 G755 K759 K760 E761	D754-K757 HydrophobicContact CB-CB 4.25Å; D754-K757 WeakPolarHBondContact O-CA 2.98Å; D754-K757 WeakPolarHBondContact O-CB 3.43Å; D754-K757 PolarHBondContact O-N 3.11Å; G755-K757 VanDerWaalsContact C-N 3.33Å; G755-K757 PolarHBondContact O-N 2.88Å; K757-K759 VanDerWaalsContact C-N 3.28Å; K757-K759 PolarHBondContact O-N 3.09Å; K757-K760 PolarHBondContact O-N 3.5Å; K757-E761 VanDerWaalsContact CE-OE1 3.23Å; K757-E761 WeakPolarHBondContact CE-OE1 3.41Å; K757-E761 WeakPolarHBondContact O-CG 3.36Å; K757-E761 PolarHBondContact O-N 3.16Å
758	R	96.4	Very high	95.7	Very high	14 Å²	14	43 Å²	43	5%	0.053	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-39.5	178.2	-59.7	-61.6	127.6	86.1	7.3	111.9	D754 G755 E761 V762 N821 T822 H825	D754-R758 PolarHBondContact O-N 3.08Å; D754-R758 IonicContact OD2-CZ 3.07Å; D754-R758 IonicContact OD2-NH1 3.91Å; D754-R758 IonicContact OD2-NH2 3.97Å; D754-R758 PolarHBondContact OD2-NH2 2.77Å; G755-R758 PolarHBondContact O-N 3.44Å; R758-E761 IonicContact NE-OE2 3.26Å; R758-V762 WeakPolarHBondContact O-CG2 3.32Å; R758-V762 PolarHBondContact O-N 2.88Å; R758-N821 PolarHBondContact O-ND2 2.92Å; R758-T822 WeakPolarHBondContact CB-OG1 3.24Å; R758-T822 WeakPolarHBondContact CG-OG1 3.4Å; R758-H825 WeakPolarHBondContact CD-CD2 3.47Å; R758-H825 PolarHBondContact NE-CD2 3.48Å; R758-H825 PolarHBondContact NE-NE2 3.17Å; R758-H825 VanDerWaalsContact NH1-CB 3.26Å
759	K	97	Very high	95.4	Very high	17 Å²	17	43.4 Å²	43.4	7%	0.074	21%	0.209	C	C	.	.	H	α-helix	trans	-64	-51.8	171.7	178.2	-174.8	168.3	-59.3	0	111.8	K739 G740 V745 M746 V749 G755 K757 E761 V762 D763 Y814 I818	K739-K759 WeakPolarHBondContact O-CE 3.48Å; K739-K759 PolarHBondContact O-NZ 2.74Å; G740-K759 WeakPolarHBondContact O-CE 3.21Å; V745-K759 HydrophobicContact CG1-CD 4.34Å; M746-K759 HydrophobicContact SD-CD 4.49Å; V749-K759 HydrophobicContact CG2-CB 4.05Å; V749-K759 HydrophobicContact CG2-CD 3.91Å; V749-K759 HydrophobicContact CG2-CG 4.47Å; G755-K759 WeakPolarHBondContact O-CB 3.46Å; G755-K759 PolarHBondContact O-N 2.73Å; K757-K759 VanDerWaalsContact C-N 3.28Å; K757-K759 PolarHBondContact O-N 3.09Å; K759-E761 PolarHBondContact O-N 3.33Å; K759-V762 WeakPolarHBondContact O-CA 3.41Å; K759-V762 WeakPolarHBondContact O-CB 3.45Å; K759-V762 PolarHBondContact O-N 3.36Å; K759-D763 WeakPolarHBondContact CG-OD2 3.34Å; K759-D763 IonicContact NZ-OD2 2.56Å; K759-D763 PolarHBondContact NZ-OD2 3.22Å; K759-D763 VanDerWaalsContact O-CG 3.31Å; K759-D763 PolarHBondContact O-N 2.72Å; K759-Y814 WeakPolarHBondContact CE-OH 3.44Å; K759-Y814 WeakPolarHBondContact CG-OH 3.48Å; K759-Y814 PolarHBondContact NZ-OH 2.84Å; K759-I818 HydrophobicContact CB-CD1 4.21Å; K759-I818 HydrophobicContact CB-CG1 4.46Å; K759-I818 HydrophobicContact CG-CD1 3.97Å
760	K	94.8	Very high	94.7	Very high	78 Å²	78	43.6 Å²	43.6	34%	0.339	21%	0.211	S	C	.	.	H	α-helix	trans	-56	-38.1	-179.8	-170.9	174.5	-175.9	177.8	0	112.3	C724 T725 D726 H756 K757 D763 L764	C724-K760 HydrophobicContact CB-CD 4.45Å; T725-K760 PolarHBondContact O-NZ 3.45Å; D726-K760 IonicContact OD1-NZ 3.42Å; D726-K760 PolarHBondContact OD1-NZ 3.29Å; H756-K760 PolarHBondContact O-N 3.31Å; K757-K760 PolarHBondContact O-N 3.5Å; K760-D763 PolarHBondContact O-N 2.92Å; K760-L764 WeakPolarHBondContact O-CB 3.46Å; K760-L764 PolarHBondContact O-N 3.02Å
761	E	95.9	Very high	93.5	Very high	7 Å²	7	43.4 Å²	43.4	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-38.5	174.9	-73.9	167.5	-178	0	0	112.8	F721 K757 R758 K759 A765 N821 H825	F721-E761 HydrophobicContact CD1-CB 4.36Å; F721-E761 HydrophobicContact CD1-CG 3.82Å; F721-E761 HydrophobicContact CE1-CB 3.82Å; F721-E761 HydrophobicContact CE1-CG 3.61Å; F721-E761 HydrophobicContact CZ-CG 4.41Å; K757-E761 VanDerWaalsContact CE-OE1 3.23Å; K757-E761 WeakPolarHBondContact CE-OE1 3.41Å; K757-E761 WeakPolarHBondContact O-CG 3.36Å; K757-E761 PolarHBondContact O-N 3.16Å; R758-E761 IonicContact NE-OE2 3.26Å; K759-E761 PolarHBondContact O-N 3.33Å; E761-A765 PolarHBondContact O-N 3.2Å; E761-A765 VanDerWaalsContact O-N 3.1Å; E761-N821 WeakPolarHBondContact CB-ND2 3.41Å; E761-N821 PolarHBondContact OE2-ND2 3.03Å; E761-H825 IonicContact OE1-CE1 2.84Å; E761-H825 IonicContact OE1-NE2 2.74Å; E761-H825 PolarHBondContact OE1-NE2 2.8Å; E761-H825 IonicContact OE2-CD2 3.19Å; E761-H825 IonicContact OE2-CE1 3.61Å; E761-H825 IonicContact OE2-NE2 2.77Å; E761-H825 PolarHBondContact OE2-NE2 3.33Å
762	V	96.8	Very high	92.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-69.1	-41	173.9	172.4	0	0	0	0	111.3	L713 R758 K759 L764 A765 L766 Y814 L817 I818 N821	L713-V762 HydrophobicContact CD1-CG2 4.17Å; L713-V762 HydrophobicContact CD2-CG2 4.48Å; R758-V762 WeakPolarHBondContact O-CG2 3.32Å; R758-V762 PolarHBondContact O-N 2.88Å; K759-V762 WeakPolarHBondContact O-CA 3.41Å; K759-V762 WeakPolarHBondContact O-CB 3.45Å; K759-V762 PolarHBondContact O-N 3.36Å; V762-L764 VanDerWaalsContact C-N 3.31Å; V762-L764 PolarHBondContact O-N 2.64Å; V762-A765 WeakPolarHBondContact O-CB 3.45Å; V762-A765 PolarHBondContact O-N 2.88Å; V762-L766 HydrophobicContact CG1-CD1 4.15Å; V762-L766 WeakPolarHBondContact O-CG 3.39Å; V762-L766 PolarHBondContact O-N 3.37Å; V762-Y814 HydrophobicContact CG1-CD2 4.31Å; V762-Y814 HydrophobicContact CG1-CE2 4.06Å; V762-L817 HydrophobicContact CG1-CB 3.75Å; V762-L817 HydrophobicContact CG2-CB 4.48Å; V762-L817 WeakPolarHBondContact CG2-O 3.27Å; V762-I818 HydrophobicContact CB-CG1 4.34Å; V762-I818 HydrophobicContact CG1-CG1 4.4Å; V762-I818 HydrophobicContact CG2-CG1 4.26Å; V762-N821 HydrophobicContact CG2-CB 3.74Å
763	D	95.1	Very high	92	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-45	177	-63.4	-25.5	0	0	0	110.7	K759 K760 A765 L766 D767 R781 Y814	K759-D763 WeakPolarHBondContact CG-OD2 3.34Å; K759-D763 IonicContact NZ-OD2 2.56Å; K759-D763 PolarHBondContact NZ-OD2 3.22Å; K759-D763 VanDerWaalsContact O-CG 3.31Å; K759-D763 PolarHBondContact O-N 2.72Å; K760-D763 PolarHBondContact O-N 2.92Å; D763-A765 VanDerWaalsContact C-N 3.33Å; D763-A765 PolarHBondContact O-N 2.9Å; D763-L766 WeakPolarHBondContact O-CB 3.13Å; D763-L766 PolarHBondContact O-N 2.92Å; D763-D767 VanDerWaalsContact O-CG 3.32Å; D763-D767 PolarHBondContact O-N 3.36Å; D763-R781 WeakPolarHBondContact OD1-CD 3.39Å; D763-R781 IonicContact OD1-CZ 2.89Å; D763-R781 IonicContact OD1-NE 3.95Å; D763-Y814 VanDerWaalsContact OD1-CE2 3.27Å; D763-Y814 WeakPolarHBondContact OD1-CE2 3.37Å; D763-Y814 VanDerWaalsContact OD1-CZ 3.28Å; D763-Y814 PolarHBondContact OD1-OH 3.03Å; D763-Y814 PolarHBondContact OD2-OH 3.41Å
764	L	93.1	Very high	91.2	Very high	44 Å²	44	41.1 Å²	41.1	23%	0.23	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-38.4	175.5	-174.7	61	0	0	0	112.5	W716 P722 K760 V762 D767 S768	W716-L764 HydrophobicContact CH2-CB 4.3Å; W716-L764 HydrophobicContact CH2-CD2 4.24Å; W716-L764 HydrophobicContact CH2-CG 3.89Å; W716-L764 HydrophobicContact CZ3-CB 4.46Å; W716-L764 HydrophobicContact CZ3-CG 4.42Å; P722-L764 HydrophobicContact CG-CD2 3.57Å; P722-L764 HydrophobicContact CG-CG 4.49Å; K760-L764 WeakPolarHBondContact O-CB 3.46Å; K760-L764 PolarHBondContact O-N 3.02Å; V762-L764 VanDerWaalsContact C-N 3.31Å; V762-L764 PolarHBondContact O-N 2.64Å; L764-D767 PolarHBondContact O-N 3.18Å; L764-S768 WeakPolarHBondContact O-CB 3.19Å; L764-S768 PolarHBondContact O-N 3.42Å; L764-S768 PolarHBondContact O-OG 3.32Å
765	A	94.4	Very high	90.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-43.7	175.2	0	0	0	0	0	111.2	V709 V712 L713 W716 E761 V762 D763 S768 I769	V709-A765 HydrophobicContact CG1-CB 4.05Å; V712-A765 HydrophobicContact CG1-CB 3.89Å; L713-A765 HydrophobicContact CD2-CB 4.03Å; L713-A765 HydrophobicContact CG-CB 4.28Å; W716-A765 HydrophobicContact CH2-CB 3.93Å; W716-A765 HydrophobicContact CZ3-CB 3.72Å; E761-A765 PolarHBondContact O-N 3.2Å; E761-A765 VanDerWaalsContact O-N 3.1Å; V762-A765 WeakPolarHBondContact O-CB 3.45Å; V762-A765 PolarHBondContact O-N 2.88Å; D763-A765 VanDerWaalsContact C-N 3.33Å; D763-A765 PolarHBondContact O-N 2.9Å; A765-S768 PolarHBondContact O-N 2.56Å; A765-S768 PolarHBondContact O-OG 2.99Å; A765-I769 WeakPolarHBondContact O-CD1 3.22Å; A765-I769 WeakPolarHBondContact O-CG1 3.41Å; A765-I769 PolarHBondContact O-N 2.89Å
766	L	94.1	Very high	89.3	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-46.6	176.2	-71.7	167.1	0	0	0	111.8	V709 V762 D763 S768 I769 S770 L780 R781 Y814	V709-L766 HydrophobicContact CG2-CD2 3.58Å; V709-L766 HydrophobicContact CG2-CG 4.22Å; V762-L766 HydrophobicContact CG1-CD1 4.15Å; V762-L766 WeakPolarHBondContact O-CG 3.39Å; V762-L766 PolarHBondContact O-N 3.37Å; D763-L766 WeakPolarHBondContact O-CB 3.13Å; D763-L766 PolarHBondContact O-N 2.92Å; L766-S768 VanDerWaalsContact C-N 3.26Å; L766-S768 PolarHBondContact O-N 3.49Å; L766-I769 PolarHBondContact O-N 3.06Å; L766-I769 VanDerWaalsContact O-N 3.09Å; L766-S770 PolarHBondContact O-N 3.09Å; L766-L780 HydrophobicContact CD1-CB 4.46Å; L766-L780 HydrophobicContact CD1-CD2 4.47Å; L766-L780 HydrophobicContact CD2-CB 3.97Å; L766-L780 HydrophobicContact CD2-CD2 4.29Å; L766-R781 HydrophobicContact CD1-CG 4.2Å; L766-Y814 HydrophobicContact CD1-CD2 4.06Å; L766-Y814 HydrophobicContact CD1-CE2 4.05Å
767	D	91.4	Very high	88.3	Confident	19 Å²	19	41.9 Å²	41.9	10%	0.102	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-33.8	178.9	-70.7	-8.9	0	0	0	111.9	I729 D763 L764 I769 H779 R781	I729-D767 HydrophobicContact CD1-CB 3.98Å; I729-D767 HydrophobicContact CG1-CB 4.38Å; D763-D767 VanDerWaalsContact O-CG 3.32Å; D763-D767 PolarHBondContact O-N 3.36Å; L764-D767 PolarHBondContact O-N 3.18Å; D767-I769 VanDerWaalsContact C-N 3.29Å; D767-I769 PolarHBondContact O-N 3.43Å; D767-H779 IonicContact OD1-CD2 3.76Å; D767-H779 IonicContact OD1-CE1 3.6Å; D767-H779 IonicContact OD1-NE2 3.09Å; D767-H779 PolarHBondContact OD1-NE2 3.5Å; D767-H779 VanDerWaalsContact OD1-NE2 3.07Å; D767-R781 IonicContact OD1-CZ 3.68Å; D767-R781 IonicContact OD1-NH2 3.42Å; D767-R781 PolarHBondContact OD1-NH2 2.8Å; D767-R781 IonicContact OD2-NH2 3.87Å; D767-R781 PolarHBondContact OD2-NH2 2.92Å
768	S	90.8	Very high	87.6	Confident	26 Å²	26	36.8 Å²	36.8	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-70.5	-23.6	176.4	77.5	0	0	0	0	113.8	P533 L764 A765 L766	P533-S768 WeakPolarHBondContact CD-O 3.49Å; L764-S768 WeakPolarHBondContact O-CB 3.19Å; L764-S768 PolarHBondContact O-N 3.42Å; L764-S768 PolarHBondContact O-OG 3.32Å; A765-S768 PolarHBondContact O-N 2.56Å; A765-S768 PolarHBondContact O-OG 2.99Å; L766-S768 VanDerWaalsContact C-N 3.26Å; L766-S768 PolarHBondContact O-N 3.49Å
769	I	91.3	Very high	87.4	Confident	9 Å²	9	36.1 Å²	36.1	5%	0.046	19%	0.185	C	C	.	.	H	α-helix	trans	-91.3	-36.3	-178.4	-67.7	159.7	0	0	0	111.2	V532 T705 M708 V709 V712 A765 L766 D767	V532-I769 HydrophobicContact CG2-CG1 3.68Å; T705-I769 HydrophobicContact CG2-CG2 3.99Å; M708-I769 HydrophobicContact CB-CD1 3.83Å; M708-I769 HydrophobicContact CB-CG1 4.35Å; M708-I769 HydrophobicContact CE-CG1 4.38Å; M708-I769 HydrophobicContact CE-CG2 3.84Å; M708-I769 HydrophobicContact SD-CG2 4.11Å; V709-I769 HydrophobicContact CB-CD1 4.12Å; V709-I769 HydrophobicContact CG2-CD1 3.36Å; V712-I769 HydrophobicContact CG2-CD1 4.31Å; V712-I769 HydrophobicContact CG2-CG1 4.47Å; A765-I769 WeakPolarHBondContact O-CD1 3.22Å; A765-I769 WeakPolarHBondContact O-CG1 3.41Å; A765-I769 PolarHBondContact O-N 2.89Å; L766-I769 PolarHBondContact O-N 3.06Å; L766-I769 VanDerWaalsContact O-N 3.09Å; D767-I769 VanDerWaalsContact C-N 3.29Å; D767-I769 PolarHBondContact O-N 3.43Å
770	S	85.1	Confident	87.2	Confident	6 Å²	6	35.5 Å²	35.5	4%	0.042	18%	0.183	C	C	.	.			trans	-114.6	99.8	-177.9	-65.4	0	0	0	0	109.4	L766 T772 Y778	L766-S770 PolarHBondContact O-N 3.09Å; S770-T772 PolarHBondContact O-N 3.08Å; S770-Y778 PolarHBondContact OG-O 3.35Å; S770-Y778 VanDerWaalsContact OG-O 3.08Å
771	E	72.1	Confident	87.1	Confident	168 Å²	168	31.8 Å²	31.8	79%	0.785	17%	0.167	S	C	*	.	S	Bend	trans	-56	-17.8	-175.3	-63	-177.3	173.1	0	0	114.6
772	T	80.1	Confident	86.9	Confident	49 Å²	49	32.2 Å²	32.2	30%	0.301	17%	0.169	S	C	.	.	S	Bend	trans	-134.3	142.5	178	66.1	0	0	0	0	111.6	S770 T774 H777	S770-T772 PolarHBondContact O-N 3.08Å; T772-T774 VanDerWaalsContact C-N 3.25Å; T772-T774 PolarHBondContact O-N 3.44Å; T772-T774 PolarHBondContact OG1-OG1 2.89Å; T772-T774 VanDerWaalsContact OG1-OG1 3.13Å; T772-H777 PolarHBondContact OG1-ND1 3.22Å
773	M	81.9	Confident	86.7	Confident	14 Å²	14	33.1 Å²	33.1	7%	0.069	17%	0.173	C	C	.	.	S	Bend	trans	-78.6	72.4	171.4	-173.9	66	70.4	0	0	110.1	I729 T738 H779 R781 E782	I729-M773 HydrophobicContact CB-CB 4.42Å; I729-M773 HydrophobicContact CB-CE 4.46Å; I729-M773 HydrophobicContact CG2-CB 3.54Å; I729-M773 WeakPolarHBondContact O-CE 3.24Å; T738-M773 HydrophobicContact CG2-CG 3.98Å; T738-M773 HydrophobicContact CG2-SD 4.07Å; M773-H779 WeakPolarHBondContact CE-CE1 3.07Å; M773-H779 HydrophobicContact SD-CB 4.05Å; M773-H779 VanDerWaalsContact SD-CE1 3.6Å; M773-H779 PolarHBondContact SD-ND1 2.88Å; M773-R781 HydrophobicContact SD-CB 4.45Å; M773-E782 HydrophobicContact CG-CB 4.36Å; M773-E782 HydrophobicContact SD-CB 3.86Å
774	T	80.1	Confident	86.7	Confident	46 Å²	46	32.8 Å²	32.8	28%	0.282	17%	0.172	S	C	.	.	S	Bend	trans	-136.4	151	-179.5	67.4	0	0	0	0	112.1	T772 M776 H777 Y778 H779	T772-T774 VanDerWaalsContact C-N 3.25Å; T772-T774 PolarHBondContact O-N 3.44Å; T772-T774 PolarHBondContact OG1-OG1 2.89Å; T772-T774 VanDerWaalsContact OG1-OG1 3.13Å; T774-M776 PolarHBondContact O-N 3.06Å; T774-H777 PolarHBondContact OG1-N 3.04Å; T774-H777 PolarHBondContact OG1-ND1 3.18Å; T774-Y778 PolarHBondContact O-N 2.76Å; T774-H779 PolarHBondContact O-N 3.15Å
775	P	76.8	Confident	86.6	Confident	53 Å²	53	30.7 Å²	30.7	34%	0.344	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.8	172.8	-18.9	29.9	0	0	0	112.1	Y778 E782 M783	P775-Y778 PolarHBondContact O-N 3.06Å; P775-Y778 VanDerWaalsContact O-N 3.11Å; P775-E782 VanDerWaalsContact CD-CG 3.47Å; P775-E782 HydrophobicContact CG-CG 3.7Å; P775-M783 HydrophobicContact CB-SD 3.93Å
776	M	77.4	Confident	86.5	Confident	125 Å²	125	32 Å²	32	62%	0.616	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-51.5	-177.4	-171.1	63.9	75.4	0	0	111.4	V517 T774 Y778	V517-M776 HydrophobicContact CG1-CG 3.63Å; V517-M776 HydrophobicContact CG1-SD 4.08Å; V517-M776 HydrophobicContact CG2-SD 4.46Å; T774-M776 PolarHBondContact O-N 3.06Å; M776-Y778 PolarHBondContact O-N 3.07Å
777	H	74.6	Confident	86.4	Confident	75 Å²	75	32.1 Å²	32.1	35%	0.347	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	10.2	177.4	-62	117.6	0	0	0	113.9	L518 T772 T774	L518-H777 VanDerWaalsContact CD2-CD2 3.49Å; L518-H777 WeakPolarHBondContact CD2-CD2 3.13Å; T772-H777 PolarHBondContact OG1-ND1 3.22Å; T774-H777 PolarHBondContact OG1-N 3.04Å; T774-H777 PolarHBondContact OG1-ND1 3.18Å
778	Y	81.5	Confident	86.3	Confident	13 Å²	13	32.6 Å²	32.6	5%	0.051	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	74.4	179.6	-165.7	-88	0	0	0	112.4	K701 S702 S770 T774 P775 M776 M783 F810 R813	K701-Y778 HydrophobicContact CB-CD1 4.38Å; K701-Y778 HydrophobicContact CB-CD2 4.01Å; K701-Y778 HydrophobicContact CB-CG 3.85Å; S702-Y778 WeakPolarHBondContact CA-OH 3.47Å; S702-Y778 VanDerWaalsContact CB-CZ 3.47Å; S702-Y778 VanDerWaalsContact CB-OH 3.28Å; S702-Y778 WeakPolarHBondContact CB-OH 3.49Å; S702-Y778 PolarHBondContact OG-OH 3.29Å; S770-Y778 PolarHBondContact OG-O 3.35Å; S770-Y778 VanDerWaalsContact OG-O 3.08Å; T774-Y778 PolarHBondContact O-N 2.76Å; P775-Y778 PolarHBondContact O-N 3.06Å; P775-Y778 VanDerWaalsContact O-N 3.11Å; M776-Y778 PolarHBondContact O-N 3.07Å; Y778-M783 HydrophobicContact CD2-CE 4.46Å; Y778-M783 HydrophobicContact CD2-CG 3.88Å; Y778-M783 HydrophobicContact CD2-SD 4.12Å; Y778-M783 HydrophobicContact CE2-CE 4.32Å; Y778-M783 HydrophobicContact CE2-CG 3.85Å; Y778-M783 HydrophobicContact CE2-SD 4.41Å; Y778-M783 HydrophobicContact CG-CG 4.41Å; Y778-F810 HydrophobicContact CE2-CZ 4.15Å; Y778-F810 WeakPolarHBondContact OH-CE1 3.36Å; Y778-F810 WeakPolarHBondContact OH-CZ 3.5Å; Y778-R813 PolarHBondContact OH-NH1 2.87Å; Y778-R813 VanDerWaalsContact OH-NH1 3.11Å
779	H	91.4	Very high	86.3	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.			trans	-95.8	120.2	166.3	-168.9	-65.9	0	0	0	110.4	D767 M773 T774 R781 E782 M783	D767-H779 IonicContact OD1-CD2 3.76Å; D767-H779 IonicContact OD1-CE1 3.6Å; D767-H779 IonicContact OD1-NE2 3.09Å; D767-H779 PolarHBondContact OD1-NE2 3.5Å; D767-H779 VanDerWaalsContact OD1-NE2 3.07Å; M773-H779 WeakPolarHBondContact CE-CE1 3.07Å; M773-H779 HydrophobicContact SD-CB 4.05Å; M773-H779 VanDerWaalsContact SD-CE1 3.6Å; M773-H779 PolarHBondContact SD-ND1 2.88Å; T774-H779 PolarHBondContact O-N 3.15Å; H779-R781 PolarHBondContact CE1-NE 3.06Å; H779-R781 VanDerWaalsContact CE1-NE 3.34Å; H779-R781 PolarHBondContact ND1-N 2.83Å; H779-R781 PolarHBondContact O-N 2.86Å; H779-E782 HydrophobicContact CB-CB 4.15Å; H779-E782 WeakPolarHBondContact O-CB 3.49Å; H779-E782 PolarHBondContact O-N 2.93Å; H779-E782 VanDerWaalsContact O-N 3.1Å; H779-M783 WeakPolarHBondContact O-CG 2.94Å; H779-M783 PolarHBondContact O-N 3.09Å
780	L	92.6	Very high	86.2	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-53.7	-48	-172	-179.9	61	0	0	0	113.2	L766 E782 M783 I784 F810 R813 L817	L766-L780 HydrophobicContact CD1-CB 4.46Å; L766-L780 HydrophobicContact CD1-CD2 4.47Å; L766-L780 HydrophobicContact CD2-CB 3.97Å; L766-L780 HydrophobicContact CD2-CD2 4.29Å; L780-E782 VanDerWaalsContact C-N 3.31Å; L780-E782 PolarHBondContact O-N 2.89Å; L780-M783 PolarHBondContact O-N 2.9Å; L780-I784 WeakPolarHBondContact O-CG1 3.39Å; L780-I784 PolarHBondContact O-N 2.66Å; L780-I784 VanDerWaalsContact O-N 3.16Å; L780-F810 HydrophobicContact CD1-CB 3.84Å; L780-F810 HydrophobicContact CD1-CD1 3.9Å; L780-F810 HydrophobicContact CD1-CG 4.05Å; L780-R813 HydrophobicContact CD2-CG 4.33Å; L780-L817 HydrophobicContact CD2-CD1 3.85Å
781	R	93.3	Very high	86.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-38.1	-179.6	-62.9	-176.8	-74.3	153.6	-11.9	112.9	E728 T738 D763 L766 D767 M773 H779 Y814	E728-R781 IonicContact OE1-CZ 2.76Å; E728-R781 IonicContact OE1-NH1 3.61Å; E728-R781 PolarHBondContact OE1-NH1 3.44Å; E728-R781 IonicContact OE1-NH2 3.61Å; T738-R781 WeakPolarHBondContact O-CB 3.43Å; T738-R781 VanDerWaalsContact O-CD 3.24Å; T738-R781 WeakPolarHBondContact O-CD 3.03Å; T738-R781 VanDerWaalsContact O-CZ 3.25Å; T738-R781 PolarHBondContact O-NE 2.91Å; T738-R781 PolarHBondContact O-NH1 2.83Å; D763-R781 WeakPolarHBondContact OD1-CD 3.39Å; D763-R781 IonicContact OD1-CZ 2.89Å; D763-R781 IonicContact OD1-NE 3.95Å; L766-R781 HydrophobicContact CD1-CG 4.2Å; D767-R781 IonicContact OD1-CZ 3.68Å; D767-R781 IonicContact OD1-NH2 3.42Å; D767-R781 PolarHBondContact OD1-NH2 2.8Å; D767-R781 IonicContact OD2-NH2 3.87Å; D767-R781 PolarHBondContact OD2-NH2 2.92Å; M773-R781 HydrophobicContact SD-CB 4.45Å; H779-R781 PolarHBondContact CE1-NE 3.06Å; H779-R781 VanDerWaalsContact CE1-NE 3.34Å; H779-R781 PolarHBondContact ND1-N 2.83Å; H779-R781 PolarHBondContact O-N 2.86Å; R781-Y814 HydrophobicContact CG-CE2 4.2Å
782	E	91.8	Very high	86.8	Confident	16 Å²	16	40 Å²	40	8%	0.075	20%	0.196	C	C	.	.	H	α-helix	trans	-73.1	-39.3	175.9	177	65.3	-164.5	0	0	111.4	T738 M773 P775 H779 L780 I784 I785 S786	T738-E782 HydrophobicContact CG2-CB 4.43Å; T738-E782 WeakPolarHBondContact CG2-OE2 2.94Å; M773-E782 HydrophobicContact CG-CB 4.36Å; M773-E782 HydrophobicContact SD-CB 3.86Å; P775-E782 VanDerWaalsContact CD-CG 3.47Å; P775-E782 HydrophobicContact CG-CG 3.7Å; H779-E782 HydrophobicContact CB-CB 4.15Å; H779-E782 WeakPolarHBondContact O-CB 3.49Å; H779-E782 PolarHBondContact O-N 2.93Å; H779-E782 VanDerWaalsContact O-N 3.1Å; L780-E782 VanDerWaalsContact C-N 3.31Å; L780-E782 PolarHBondContact O-N 2.89Å; E782-I784 VanDerWaalsContact C-N 3.28Å; E782-I784 PolarHBondContact O-N 2.97Å; E782-I785 WeakPolarHBondContact O-CG2 3.39Å; E782-I785 PolarHBondContact O-N 3.26Å; E782-S786 WeakPolarHBondContact O-CB 3.4Å; E782-S786 PolarHBondContact O-N 2.89Å
783	M	92.4	Very high	86.7	Confident	20 Å²	20	44.2 Å²	44.2	10%	0.099	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-35.1	178.6	-71.3	-57.6	-54.3	0	0	112.8	P775 Y778 H779 L780 I787 F810	P775-M783 HydrophobicContact CB-SD 3.93Å; Y778-M783 HydrophobicContact CD2-CE 4.46Å; Y778-M783 HydrophobicContact CD2-CG 3.88Å; Y778-M783 HydrophobicContact CD2-SD 4.12Å; Y778-M783 HydrophobicContact CE2-CE 4.32Å; Y778-M783 HydrophobicContact CE2-CG 3.85Å; Y778-M783 HydrophobicContact CE2-SD 4.41Å; Y778-M783 HydrophobicContact CG-CG 4.41Å; H779-M783 WeakPolarHBondContact O-CG 2.94Å; H779-M783 PolarHBondContact O-N 3.09Å; L780-M783 PolarHBondContact O-N 2.9Å; M783-I787 HydrophobicContact CE-CD1 3.67Å; M783-I787 HydrophobicContact CE-CG1 4.07Å; M783-I787 WeakPolarHBondContact O-CB 3.01Å; M783-I787 WeakPolarHBondContact O-CG1 3.35Å; M783-I787 PolarHBondContact O-N 2.78Å; M783-F810 HydrophobicContact CB-CD2 4.04Å; M783-F810 HydrophobicContact CB-CE2 4.22Å; M783-F810 HydrophobicContact CE-CE2 4.24Å
784	I	94.1	Very high	86.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.5	-59.1	177.1	-64.7	164	0	0	0	110	F742 L780 E782 Y788 S807 F810 L811 Y814 F858	F742-I784 HydrophobicContact CE1-CG2 3.69Å; F742-I784 HydrophobicContact CE2-CB 4.4Å; F742-I784 HydrophobicContact CE2-CD1 4.02Å; F742-I784 HydrophobicContact CE2-CG2 4.06Å; F742-I784 HydrophobicContact CZ-CB 3.88Å; F742-I784 HydrophobicContact CZ-CD1 4.36Å; F742-I784 HydrophobicContact CZ-CG2 3.41Å; F742-I784 VanDerWaalsContact CZ-CG2 3.41Å; L780-I784 WeakPolarHBondContact O-CG1 3.39Å; L780-I784 PolarHBondContact O-N 2.66Å; L780-I784 VanDerWaalsContact O-N 3.16Å; E782-I784 VanDerWaalsContact C-N 3.28Å; E782-I784 PolarHBondContact O-N 2.97Å; I784-Y788 PolarHBondContact O-N 3Å; I784-S807 PolarHBondContact O-OG 3.35Å; I784-F810 HydrophobicContact CG1-CB 3.58Å; I784-L811 HydrophobicContact CD1-CB 4.49Å; I784-L811 HydrophobicContact CD1-CD1 4.29Å; I784-L811 HydrophobicContact CG2-CB 4.08Å; I784-L811 HydrophobicContact CG2-CD1 4.29Å; I784-Y814 HydrophobicContact CD1-CD1 4.47Å; I784-Y814 HydrophobicContact CD1-CG 4.49Å; I784-F858 HydrophobicContact CG2-CE1 3.89Å; I784-F858 HydrophobicContact CG2-CZ 3.85Å
785	I	91.7	Very high	87	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-75.2	-36.3	-174.4	-170.6	61	0	0	0	112.5	D734 Y737 E782 I787 Y788 R789	D734-I785 HydrophobicContact CB-CG2 4.26Å; Y737-I785 HydrophobicContact CD1-CD1 4.24Å; Y737-I785 HydrophobicContact CD2-CD1 3.76Å; Y737-I785 HydrophobicContact CD2-CG1 3.84Å; Y737-I785 HydrophobicContact CE2-CD1 4.18Å; Y737-I785 HydrophobicContact CG-CB 4.36Å; Y737-I785 HydrophobicContact CG-CD1 3.8Å; Y737-I785 HydrophobicContact CG-CG1 3.9Å; E782-I785 WeakPolarHBondContact O-CG2 3.39Å; E782-I785 PolarHBondContact O-N 3.26Å; I785-I787 VanDerWaalsContact C-N 3.34Å; I785-I787 PolarHBondContact O-N 3.4Å; I785-Y788 HydrophobicContact CD1-CD1 4.42Å; I785-Y788 PolarHBondContact O-N 3.27Å; I785-R789 HydrophobicContact CD1-CG 4.39Å; I785-R789 HydrophobicContact CG1-CG 4.45Å; I785-R789 WeakPolarHBondContact O-CG 3.09Å; I785-R789 PolarHBondContact O-N 2.82Å
786	S	91.9	Very high	87.5	Confident	26 Å²	26	54 Å²	54	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-41.7	179.3	-175.6	0	0	0	0	111.7	E782 Q790	E782-S786 WeakPolarHBondContact O-CB 3.4Å; E782-S786 PolarHBondContact O-N 2.89Å; S786-Q790 WeakPolarHBondContact O-CG 3.32Å; S786-Q790 PolarHBondContact O-N 2.95Å
787	I	91.4	Very high	87.8	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-71.4	-42	177.2	-69.5	175.7	0	0	0	111.3	M783 I785 R789 Q790 Q803 R806 F810	M783-I787 HydrophobicContact CE-CD1 3.67Å; M783-I787 HydrophobicContact CE-CG1 4.07Å; M783-I787 WeakPolarHBondContact O-CB 3.01Å; M783-I787 WeakPolarHBondContact O-CG1 3.35Å; M783-I787 PolarHBondContact O-N 2.78Å; I785-I787 VanDerWaalsContact C-N 3.34Å; I785-I787 PolarHBondContact O-N 3.4Å; I787-R789 PolarHBondContact O-N 3.39Å; I787-Q790 WeakPolarHBondContact O-CB 3.44Å; I787-Q790 PolarHBondContact O-N 3.47Å; I787-Q803 HydrophobicContact CG2-CB 4.26Å; I787-Q803 VanDerWaalsContact CG2-O 3.24Å; I787-Q803 WeakPolarHBondContact CG2-O 3.39Å; I787-R806 HydrophobicContact CD1-CG 3.92Å; I787-R806 HydrophobicContact CG2-CB 4.32Å; I787-F810 HydrophobicContact CD1-CD2 3.79Å; I787-F810 HydrophobicContact CD1-CE2 3.42Å; I787-F810 VanDerWaalsContact CD1-CE2 3.42Å
788	Y	91.3	Very high	88.2	Confident	30 Å²	30	57.6 Å²	57.6	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-55.3	-44	177.2	-176.3	-101.9	0	0	0	111.1	I784 I785 Q790 I791 L804 F858 F861 E862	I784-Y788 PolarHBondContact O-N 3Å; I785-Y788 HydrophobicContact CD1-CD1 4.42Å; I785-Y788 PolarHBondContact O-N 3.27Å; Y788-Q790 PolarHBondContact O-N 2.8Å; Y788-I791 HydrophobicContact CD2-CD1 3.94Å; Y788-I791 HydrophobicContact CE2-CD1 4.15Å; Y788-I791 VanDerWaalsContact O-CB 3.27Å; Y788-I791 WeakPolarHBondContact O-CB 3.21Å; Y788-I791 WeakPolarHBondContact O-CD1 3.32Å; Y788-I791 VanDerWaalsContact O-CG1 3.22Å; Y788-I791 WeakPolarHBondContact O-CG1 3.36Å; Y788-I791 PolarHBondContact O-N 3.07Å; Y788-I791 VanDerWaalsContact O-N 3.09Å; Y788-L804 HydrophobicContact CD2-CD1 4.16Å; Y788-L804 HydrophobicContact CE2-CD1 3.99Å; Y788-F858 AromaticContact CD2-CD2 3.38Å; Y788-F858 HydrophobicContact CD2-CD2 3.38Å; Y788-F858 AromaticContact CD2-CE2 3.41Å; Y788-F858 HydrophobicContact CD2-CE2 3.41Å; Y788-F858 VanDerWaalsContact CD2-CE2 3.41Å; Y788-F858 HydrophobicContact CD2-CG 4.21Å; Y788-F858 HydrophobicContact CD2-CZ 4.25Å; Y788-F858 HydrophobicContact CE2-CB 4.45Å; Y788-F858 AromaticContact CE2-CD2 3.42Å; Y788-F858 HydrophobicContact CE2-CD2 3.42Å; Y788-F858 VanDerWaalsContact CE2-CD2 3.42Å; Y788-F858 AromaticContact CE2-CE2 3.96Å; Y788-F858 HydrophobicContact CE2-CE2 3.96Å; Y788-F858 HydrophobicContact CE2-CG 4.14Å; Y788-F858 HydrophobicContact CG-CD2 4.15Å; Y788-F858 HydrophobicContact CG-CE2 4.05Å; Y788-F858 HydrophobicContact CG-CZ 4.48Å; Y788-F861 HydrophobicContact CD1-CD2 4.11Å; Y788-F861 HydrophobicContact CD1-CE2 4.05Å; Y788-F861 HydrophobicContact CE1-CB 4.36Å; Y788-F861 AromaticContact CE1-CD2 3.27Å; Y788-F861 HydrophobicContact CE1-CD2 3.27Å; Y788-F861 AromaticContact CE1-CE2 3.62Å; Y788-F861 HydrophobicContact CE1-CE2 3.62Å; Y788-F861 AromaticContact CE1-CG 3.93Å; Y788-F861 HydrophobicContact CE1-CG 3.93Å; Y788-F861 HydrophobicContact CE1-CZ 4.47Å; Y788-F861 AromaticContact CZ-CD2 3.59Å; Y788-F861 WeakPolarHBondContact OH-CB 3.37Å; Y788-E862 WeakPolarHBondContact CE2-OE1 3.46Å; Y788-E862 VanDerWaalsContact OH-CD 3.25Å; Y788-E862 PolarHBondContact OH-OE1 3.31Å
789	R	89	Confident	88.4	Confident	118 Å²	118	61.2 Å²	61.2	45%	0.445	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-12.8	179.2	-72.2	176.4	168.9	-162.4	3.9	115.5	D734 I785 I787 I791	D734-R789 IonicContact OD1-CZ 3.95Å; D734-R789 IonicContact OD1-NE 2.64Å; D734-R789 IonicContact OD1-NH1 3.4Å; D734-R789 PolarHBondContact OD1-NH1 3.33Å; D734-R789 IonicContact OD1-NH2 2.8Å; D734-R789 PolarHBondContact OD1-NH2 2.86Å; D734-R789 IonicContact OD2-CZ 3.78Å; D734-R789 IonicContact OD2-NE 3.59Å; D734-R789 PolarHBondContact OD2-NE 2.87Å; D734-R789 IonicContact OD2-NH1 2.77Å; D734-R789 PolarHBondContact OD2-NH1 2.92Å; D734-R789 IonicContact OD2-NH2 3.28Å; D734-R789 PolarHBondContact OD2-NH2 2.78Å; I785-R789 HydrophobicContact CD1-CG 4.39Å; I785-R789 HydrophobicContact CG1-CG 4.45Å; I785-R789 WeakPolarHBondContact O-CG 3.09Å; I785-R789 PolarHBondContact O-N 2.82Å; I787-R789 PolarHBondContact O-N 3.39Å; R789-I791 PolarHBondContact O-N 2.82Å
790	Q	89.4	Confident	88.2	Confident	81 Å²	81	62.5 Å²	62.5	38%	0.379	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-13.5	172.8	-69	171.9	29.4	0	0	112	S786 I787 Y788 K792 K795 Q803	S786-Q790 WeakPolarHBondContact O-CG 3.32Å; S786-Q790 PolarHBondContact O-N 2.95Å; I787-Q790 WeakPolarHBondContact O-CB 3.44Å; I787-Q790 PolarHBondContact O-N 3.47Å; Y788-Q790 PolarHBondContact O-N 2.8Å; Q790-K792 PolarHBondContact O-N 2.95Å; Q790-K795 VanDerWaalsContact O-CE 3.32Å; Q790-K795 WeakPolarHBondContact O-CE 3.26Å; Q790-K795 PolarHBondContact O-NZ 3.45Å; Q790-Q803 PolarHBondContact O-OE1 3.22Å; Q790-Q803 VanDerWaalsContact O-OE1 3.06Å; Q790-Q803 VanDerWaalsContact OE1-NE2 3.13Å
791	I	88	Confident	88	Confident	50 Å²	50	67.3 Å²	67.3	26%	0.256	33%	0.326	S	S	.	.			trans	-67.2	112.6	172.8	-57.8	168.2	0	0	0	107.3	Y788 R789 C800 Q803 L804	Y788-I791 HydrophobicContact CD2-CD1 3.94Å; Y788-I791 HydrophobicContact CE2-CD1 4.15Å; Y788-I791 VanDerWaalsContact O-CB 3.27Å; Y788-I791 WeakPolarHBondContact O-CB 3.21Å; Y788-I791 WeakPolarHBondContact O-CD1 3.32Å; Y788-I791 VanDerWaalsContact O-CG1 3.22Å; Y788-I791 WeakPolarHBondContact O-CG1 3.36Å; Y788-I791 PolarHBondContact O-N 3.07Å; Y788-I791 VanDerWaalsContact O-N 3.09Å; R789-I791 PolarHBondContact O-N 2.82Å; I791-C800 HydrophobicContact CG2-CB 4.05Å; I791-Q803 HydrophobicContact CG1-CB 3.86Å; I791-L804 HydrophobicContact CD1-CB 3.84Å; I791-L804 HydrophobicContact CD1-CD1 4.32Å
792	K	83.1	Confident	87.7	Confident	115 Å²	115	73 Å²	73	50%	0.5	35%	0.353	S	S	.	.			trans	-131	148.7	-176.3	-70.4	-175.8	-179.9	-174.1	0	109	Q790 E794 K795	Q790-K792 PolarHBondContact O-N 2.95Å; K792-E794 PolarHBondContact O-N 3.42Å; K792-K795 PolarHBondContact O-N 3.16Å
793	P	77.2	Confident	87.7	Confident	137 Å²	137	73.8 Å²	73.8	89%	0.89	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.5	-179.5	26.2	-35.2	0	0	0	113.7	K795	P793-K795 VanDerWaalsContact C-N 3.31Å
794	E	83.9	Confident	87.6	Confident	176 Å²	176	74 Å²	74	82%	0.822	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-13.7	177.5	-63.9	170.1	-176.3	0	0	113.7	K792	K792-E794 PolarHBondContact O-N 3.42Å
795	K	84	Confident	87.5	Confident	64 Å²	64	75 Å²	75	28%	0.278	36%	0.363	S	S	.	.	S	Bend	trans	-87.1	157.3	-178.9	-71.7	-176.3	174.5	175.5	0	111.7	Q790 K792 P793 E799	Q790-K795 VanDerWaalsContact O-CE 3.32Å; Q790-K795 WeakPolarHBondContact O-CE 3.26Å; Q790-K795 PolarHBondContact O-NZ 3.45Å; K792-K795 PolarHBondContact O-N 3.16Å; P793-K795 VanDerWaalsContact C-N 3.31Å; K795-E799 HydrophobicContact CB-CB 4.29Å
796	T	86.9	Confident	87.6	Confident	78 Å²	78	80 Å²	80	48%	0.479	38%	0.382	S	S	.	.			trans	-66.1	154	173.1	65.3	0	0	0	0	110.9	K798 E799 C800	T796-K798 PolarHBondContact O-N 2.76Å; T796-E799 PolarHBondContact N-OE2 3.37Å; T796-E799 PolarHBondContact O-N 3.19Å; T796-E799 WeakPolarHBondContact OG1-CB 3.4Å; T796-E799 WeakPolarHBondContact OG1-CG 3.34Å; T796-E799 PolarHBondContact OG1-N 3.04Å; T796-E799 PolarHBondContact OG1-OE2 3.45Å; T796-C800 PolarHBondContact O-N 3.45Å; T796-C800 PolarHBondContact O-SG 3.38Å
797	E	84.3	Confident	87.7	Confident	132 Å²	132	78.8 Å²	78.8	62%	0.617	37%	0.373	S	S	*	.	H	α-helix	trans	-57.6	-37.3	177.3	-168.2	-169.9	154.3	0	0	111.8	C800 K801	E797-C800 PolarHBondContact O-N 3.47Å; E797-K801 HydrophobicContact CG-CD 4.33Å; E797-K801 WeakPolarHBondContact O-CB 3.17Å; E797-K801 WeakPolarHBondContact O-CG 3.24Å; E797-K801 PolarHBondContact O-N 3.21Å; E797-K801 VanDerWaalsContact OE1-CE 3.26Å; E797-K801 WeakPolarHBondContact OE1-CE 3.4Å; E797-K801 IonicContact OE1-NZ 3.5Å; E797-K801 PolarHBondContact OE1-NZ 3.46Å
798	K	83.3	Confident	87.8	Confident	144 Å²	144	78.6 Å²	78.6	63%	0.626	37%	0.372	S	S	*	.	H	α-helix	trans	-62.4	-47.2	176.8	-174.4	178.9	178	-178.7	0	111.8	T796 K801 Q802	T796-K798 PolarHBondContact O-N 2.76Å; K798-K801 PolarHBondContact O-N 3.03Å; K798-Q802 WeakPolarHBondContact O-CB 3.01Å; K798-Q802 PolarHBondContact O-N 3.1Å
799	E	85.4	Confident	88	Confident	90 Å²	90	77.9 Å²	77.9	42%	0.421	37%	0.37	S	S	.	.	H	α-helix	trans	-64.1	-43	176.8	-71.6	165	144.7	0	0	111.4	K795 T796 K801 Q802 Q803	K795-E799 HydrophobicContact CB-CB 4.29Å; T796-E799 PolarHBondContact N-OE2 3.37Å; T796-E799 PolarHBondContact O-N 3.19Å; T796-E799 WeakPolarHBondContact OG1-CB 3.4Å; T796-E799 WeakPolarHBondContact OG1-CG 3.34Å; T796-E799 PolarHBondContact OG1-N 3.04Å; T796-E799 PolarHBondContact OG1-OE2 3.45Å; E799-K801 PolarHBondContact O-N 3.25Å; E799-Q802 PolarHBondContact O-N 3.09Å; E799-Q803 WeakPolarHBondContact O-CG 3.48Å; E799-Q803 PolarHBondContact O-N 3.41Å
800	C	88	Confident	88.3	Confident	26 Å²	26	72.2 Å²	72.2	18%	0.176	35%	0.348	C	S	.	.	H	α-helix	trans	-59.2	-48	176.5	-66.9	0	0	0	0	111.3	I791 T796 E797 Q802 Q803 L804	I791-C800 HydrophobicContact CG2-CB 4.05Å; T796-C800 PolarHBondContact O-N 3.45Å; T796-C800 PolarHBondContact O-SG 3.38Å; E797-C800 PolarHBondContact O-N 3.47Å; C800-Q802 PolarHBondContact O-N 3.34Å; C800-Q803 PolarHBondContact O-N 3.08Å; C800-L804 WeakPolarHBondContact O-CB 3.41Å; C800-L804 PolarHBondContact O-N 3.23Å
801	K	87.4	Confident	88.6	Confident	106 Å²	106	68.4 Å²	68.4	46%	0.461	33%	0.33	S	S	.	.	H	α-helix	trans	-59.6	-42.3	175.9	-79.7	175.3	168.6	168.3	0	112.3	E797 K798 E799 L804 L805	E797-K801 HydrophobicContact CG-CD 4.33Å; E797-K801 WeakPolarHBondContact O-CB 3.17Å; E797-K801 WeakPolarHBondContact O-CG 3.24Å; E797-K801 PolarHBondContact O-N 3.21Å; E797-K801 VanDerWaalsContact OE1-CE 3.26Å; E797-K801 WeakPolarHBondContact OE1-CE 3.4Å; E797-K801 IonicContact OE1-NZ 3.5Å; E797-K801 PolarHBondContact OE1-NZ 3.46Å; K798-K801 PolarHBondContact O-N 3.03Å; E799-K801 PolarHBondContact O-N 3.25Å; K801-L804 PolarHBondContact O-N 3.42Å; K801-L805 WeakPolarHBondContact O-CB 3.47Å; K801-L805 PolarHBondContact O-N 3.12Å
802	Q	88	Confident	89	Confident	119 Å²	119	66 Å²	66	56%	0.556	32%	0.318	S	S	*	.	H	α-helix	trans	-67	-40.9	178.7	-170.3	178.6	13.6	0	0	112.3	K798 E799 C800 L805 R806	K798-Q802 WeakPolarHBondContact O-CB 3.01Å; K798-Q802 PolarHBondContact O-N 3.1Å; E799-Q802 PolarHBondContact O-N 3.09Å; C800-Q802 PolarHBondContact O-N 3.34Å; Q802-L805 PolarHBondContact O-N 3.24Å; Q802-R806 WeakPolarHBondContact O-CB 3.42Å; Q802-R806 PolarHBondContact O-N 2.93Å
803	Q	90.4	Very high	89.6	Confident	33 Å²	33	60.6 Å²	60.6	15%	0.154	30%	0.295	C	S	.	.	H	α-helix	trans	-67	-42.4	176.3	-70.1	-166.1	-37.1	0	0	111.9	I787 Q790 I791 E799 C800 R806 S807	I787-Q803 HydrophobicContact CG2-CB 4.26Å; I787-Q803 VanDerWaalsContact CG2-O 3.24Å; I787-Q803 WeakPolarHBondContact CG2-O 3.39Å; Q790-Q803 PolarHBondContact O-OE1 3.22Å; Q790-Q803 VanDerWaalsContact O-OE1 3.06Å; Q790-Q803 VanDerWaalsContact OE1-NE2 3.13Å; I791-Q803 HydrophobicContact CG1-CB 3.86Å; E799-Q803 WeakPolarHBondContact O-CG 3.48Å; E799-Q803 PolarHBondContact O-N 3.41Å; C800-Q803 PolarHBondContact O-N 3.08Å; Q803-R806 PolarHBondContact O-N 2.8Å; Q803-S807 WeakPolarHBondContact O-CB 3.36Å; Q803-S807 PolarHBondContact O-N 3.25Å
804	L	91.5	Very high	90.6	Very high	23 Å²	23	54.1 Å²	54.1	12%	0.12	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-50.7	173.5	178.1	60.2	0	0	0	111.1	Y788 I791 C800 K801 R806 S807 L808 F858 M867 L869	Y788-L804 HydrophobicContact CD2-CD1 4.16Å; Y788-L804 HydrophobicContact CE2-CD1 3.99Å; I791-L804 HydrophobicContact CD1-CB 3.84Å; I791-L804 HydrophobicContact CD1-CD1 4.32Å; C800-L804 WeakPolarHBondContact O-CB 3.41Å; C800-L804 PolarHBondContact O-N 3.23Å; K801-L804 PolarHBondContact O-N 3.42Å; L804-R806 VanDerWaalsContact C-N 3.3Å; L804-R806 PolarHBondContact O-N 3.47Å; L804-S807 PolarHBondContact O-N 3.26Å; L804-L808 HydrophobicContact CD1-CD1 4.08Å; L804-L808 HydrophobicContact CD1-CG 4.12Å; L804-L808 HydrophobicContact CG-CD1 4.05Å; L804-L808 HydrophobicContact CG-CG 4.47Å; L804-L808 WeakPolarHBondContact O-CG 3.49Å; L804-L808 PolarHBondContact O-N 3.46Å; L804-F858 HydrophobicContact CD1-CD2 4.46Å; L804-F858 HydrophobicContact CD1-CE2 4.48Å; L804-M867 HydrophobicContact CD1-CE 3.91Å; L804-M867 HydrophobicContact CD2-CE 3.57Å; L804-M867 HydrophobicContact CG-CE 4.19Å; L804-L869 HydrophobicContact CB-CD1 4.47Å; L804-L869 HydrophobicContact CD2-CD1 4.09Å; L804-L869 HydrophobicContact CG-CD1 4.19Å
805	L	92.1	Very high	91.3	Very high	21 Å²	21	45.7 Å²	45.7	11%	0.11	21%	0.213	C	C	.	.	H	α-helix	trans	-53.4	-48.3	176.6	175.1	60.3	0	0	0	111.5	K801 Q802 S807 L808 Q809 L869 R875 Q878	K801-L805 WeakPolarHBondContact O-CB 3.47Å; K801-L805 PolarHBondContact O-N 3.12Å; Q802-L805 PolarHBondContact O-N 3.24Å; L805-S807 PolarHBondContact O-N 3.25Å; L805-L808 PolarHBondContact O-N 2.64Å; L805-Q809 HydrophobicContact CD1-CG 4.18Å; L805-Q809 HydrophobicContact CG-CG 4.47Å; L805-Q809 WeakPolarHBondContact O-CB 3.13Å; L805-Q809 VanDerWaalsContact O-CG 3.23Å; L805-Q809 WeakPolarHBondContact O-CG 3.24Å; L805-Q809 PolarHBondContact O-N 3.29Å; L805-L869 HydrophobicContact CB-CD1 3.96Å; L805-L869 HydrophobicContact CD1-CD2 4.31Å; L805-R875 HydrophobicContact CD1-CG 3.86Å; L805-Q878 HydrophobicContact CD1-CB 4.37Å; L805-Q878 HydrophobicContact CD2-CB 3.8Å
806	R	92	Very high	92	Very high	107 Å²	107	42.7 Å²	42.7	40%	0.404	20%	0.2	S	C	.	.	H	α-helix	trans	-64.4	-39.4	-179.4	-170.5	174.4	-174.3	-175	8.9	112.6	C666 I787 Q802 Q803 L804 Q809 F810	C666-R806 HydrophobicContact CB-CG 4.2Å; C666-R806 PolarHBondContact SG-NE 3.35Å; I787-R806 HydrophobicContact CD1-CG 3.92Å; I787-R806 HydrophobicContact CG2-CB 4.32Å; Q802-R806 WeakPolarHBondContact O-CB 3.42Å; Q802-R806 PolarHBondContact O-N 2.93Å; Q803-R806 PolarHBondContact O-N 2.8Å; L804-R806 VanDerWaalsContact C-N 3.3Å; L804-R806 PolarHBondContact O-N 3.47Å; R806-Q809 PolarHBondContact O-N 2.91Å; R806-F810 HydrophobicContact CG-CD2 4.43Å; R806-F810 HydrophobicContact CG-CE2 3.96Å; R806-F810 HydrophobicContact CG-CZ 4.4Å; R806-F810 WeakPolarHBondContact O-CD2 3.4Å; R806-F810 PolarHBondContact O-N 3.41Å; R806-F810 VanDerWaalsContact O-N 3.16Å
807	S	94.3	Very high	92.5	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.4	-45.8	175.7	-178.7	0	0	0	0	111.6	I784 Q803 L804 L805 Q809 F810 L811 F858	I784-S807 PolarHBondContact O-OG 3.35Å; Q803-S807 WeakPolarHBondContact O-CB 3.36Å; Q803-S807 PolarHBondContact O-N 3.25Å; L804-S807 PolarHBondContact O-N 3.26Å; L805-S807 PolarHBondContact O-N 3.25Å; S807-Q809 VanDerWaalsContact C-N 3.32Å; S807-Q809 PolarHBondContact O-N 3.44Å; S807-F810 PolarHBondContact O-N 2.95Å; S807-L811 PolarHBondContact O-N 3.31Å; S807-F858 WeakPolarHBondContact OG-CE2 3.45Å; S807-F858 WeakPolarHBondContact OG-CZ 3.44Å
808	L	94.7	Very high	93.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.9	-37	175.8	-67.1	176.2	0	0	0	112.4	L804 L805 L811 E812 L856 F858 M867 L869	L804-L808 HydrophobicContact CD1-CD1 4.08Å; L804-L808 HydrophobicContact CD1-CG 4.12Å; L804-L808 HydrophobicContact CG-CD1 4.05Å; L804-L808 HydrophobicContact CG-CG 4.47Å; L804-L808 WeakPolarHBondContact O-CG 3.49Å; L804-L808 PolarHBondContact O-N 3.46Å; L805-L808 PolarHBondContact O-N 2.64Å; L808-L811 HydrophobicContact CD2-CD2 4.44Å; L808-L811 WeakPolarHBondContact O-CB 3.48Å; L808-L811 PolarHBondContact O-N 2.91Å; L808-E812 PolarHBondContact O-N 3.14Å; L808-L856 HydrophobicContact CB-CD2 4.32Å; L808-L856 HydrophobicContact CD2-CG 4.45Å; L808-L856 WeakPolarHBondContact CD2-O 3.4Å; L808-L856 WeakPolarHBondContact O-CD2 3.37Å; L808-F858 HydrophobicContact CD2-CD2 3.97Å; L808-F858 HydrophobicContact CD2-CE2 3.64Å; L808-F858 HydrophobicContact CD2-CZ 4.31Å; L808-F858 HydrophobicContact CG-CE2 4.3Å; L808-M867 HydrophobicContact CD1-CE 4.46Å; L808-L869 HydrophobicContact CD1-CB 3.94Å
809	Q	94.1	Very high	94	Very high	15 Å²	15	25.9 Å²	25.9	7%	0.07	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-41.7	174.4	-82.1	172.3	-4.5	0	0	112.6	L805 R806 S807 R813 Q879	L805-Q809 HydrophobicContact CD1-CG 4.18Å; L805-Q809 HydrophobicContact CG-CG 4.47Å; L805-Q809 WeakPolarHBondContact O-CB 3.13Å; L805-Q809 VanDerWaalsContact O-CG 3.23Å; L805-Q809 WeakPolarHBondContact O-CG 3.24Å; L805-Q809 PolarHBondContact O-N 3.29Å; R806-Q809 PolarHBondContact O-N 2.91Å; S807-Q809 VanDerWaalsContact C-N 3.32Å; S807-Q809 PolarHBondContact O-N 3.44Å; Q809-R813 WeakPolarHBondContact O-CB 3.2Å; Q809-R813 PolarHBondContact O-N 3.49Å; Q809-Q879 HydrophobicContact CG-CG 4.5Å
810	F	95.2	Very high	94.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-69.7	-35	174	-70.4	-35.7	0	0	0	112.7	C666 Y778 L780 M783 I784 I787 R806 S807 R813 Y814	C666-F810 HydrophobicContact CB-CE1 4.2Å; C666-F810 HydrophobicContact CB-CZ 4.25Å; C666-F810 VanDerWaalsContact O-CD1 3.29Å; C666-F810 WeakPolarHBondContact O-CD1 3.24Å; C666-F810 WeakPolarHBondContact O-CE1 3.41Å; Y778-F810 HydrophobicContact CE2-CZ 4.15Å; Y778-F810 WeakPolarHBondContact OH-CE1 3.36Å; Y778-F810 WeakPolarHBondContact OH-CZ 3.5Å; L780-F810 HydrophobicContact CD1-CB 3.84Å; L780-F810 HydrophobicContact CD1-CD1 3.9Å; L780-F810 HydrophobicContact CD1-CG 4.05Å; M783-F810 HydrophobicContact CB-CD2 4.04Å; M783-F810 HydrophobicContact CB-CE2 4.22Å; M783-F810 HydrophobicContact CE-CE2 4.24Å; I784-F810 HydrophobicContact CG1-CB 3.58Å; I787-F810 HydrophobicContact CD1-CD2 3.79Å; I787-F810 HydrophobicContact CD1-CE2 3.42Å; I787-F810 VanDerWaalsContact CD1-CE2 3.42Å; R806-F810 HydrophobicContact CG-CD2 4.43Å; R806-F810 HydrophobicContact CG-CE2 3.96Å; R806-F810 HydrophobicContact CG-CZ 4.4Å; R806-F810 WeakPolarHBondContact O-CD2 3.4Å; R806-F810 PolarHBondContact O-N 3.41Å; R806-F810 VanDerWaalsContact O-N 3.16Å; S807-F810 PolarHBondContact O-N 2.95Å; F810-R813 PolarHBondContact O-N 3.01Å; F810-Y814 PolarHBondContact O-N 2.79Å
811	L	96.3	Very high	95.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.8	-46.1	173.9	-176.6	60.7	0	0	0	111.3	F742 V744 V745 I784 S807 L808 R813 Y814 I815 L856 F858	F742-L811 HydrophobicContact CB-CD1 3.93Å; F742-L811 HydrophobicContact CD1-CD1 4.19Å; F742-L811 HydrophobicContact CD2-CD1 3.6Å; F742-L811 HydrophobicContact CE2-CD1 4.14Å; F742-L811 HydrophobicContact CG-CD1 3.63Å; V744-L811 HydrophobicContact CG1-CD1 4.41Å; V744-L811 HydrophobicContact CG1-CD2 3.63Å; V744-L811 HydrophobicContact CG1-CG 4.17Å; V745-L811 HydrophobicContact CG2-CD1 3.67Å; I784-L811 HydrophobicContact CD1-CB 4.49Å; I784-L811 HydrophobicContact CD1-CD1 4.29Å; I784-L811 HydrophobicContact CG2-CB 4.08Å; I784-L811 HydrophobicContact CG2-CD1 4.29Å; S807-L811 PolarHBondContact O-N 3.31Å; L808-L811 HydrophobicContact CD2-CD2 4.44Å; L808-L811 WeakPolarHBondContact O-CB 3.48Å; L808-L811 PolarHBondContact O-N 2.91Å; L811-R813 VanDerWaalsContact C-N 3.34Å; L811-R813 PolarHBondContact O-N 3.42Å; L811-Y814 PolarHBondContact O-N 3.07Å; L811-I815 WeakPolarHBondContact O-CG1 3.44Å; L811-I815 PolarHBondContact O-N 3.23Å; L811-I815 VanDerWaalsContact O-N 3.1Å; L811-L856 HydrophobicContact CD2-CD1 4.11Å; L811-L856 HydrophobicContact CD2-CG 4.41Å; L811-L856 HydrophobicContact CG-CD1 4.2Å; L811-F858 HydrophobicContact CD2-CD1 4.34Å; L811-F858 HydrophobicContact CD2-CE1 3.8Å; L811-F858 HydrophobicContact CD2-CZ 4.01Å
812	E	96.5	Very high	95.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58.3	-46.8	173.3	-178.1	171.8	-116.6	0	0	111.1	L808 Y814 I815 Y816 L853 L856 R875 W876	L808-E812 PolarHBondContact O-N 3.14Å; E812-Y814 VanDerWaalsContact C-N 3.27Å; E812-Y814 PolarHBondContact O-N 3.16Å; E812-I815 WeakPolarHBondContact O-CA 3.37Å; E812-I815 WeakPolarHBondContact O-CB 3.4Å; E812-I815 PolarHBondContact O-N 3.43Å; E812-Y816 HydrophobicContact CG-CD2 3.64Å; E812-Y816 HydrophobicContact CG-CE2 3.51Å; E812-Y816 WeakPolarHBondContact O-CD2 3.42Å; E812-Y816 PolarHBondContact O-N 3.39Å; E812-L853 HydrophobicContact CG-CD2 4.27Å; E812-L856 HydrophobicContact CB-CD2 3.72Å; E812-R875 IonicContact OE1-CZ 3.59Å; E812-R875 VanDerWaalsContact OE1-CZ 3.32Å; E812-R875 IonicContact OE1-NH1 3.27Å; E812-R875 PolarHBondContact OE1-NH1 3.14Å; E812-R875 IonicContact OE1-NH2 3.67Å; E812-R875 PolarHBondContact OE1-NH2 2.85Å; E812-R875 IonicContact OE2-CZ 2.61Å; E812-R875 IonicContact OE2-NH1 3.31Å; E812-R875 PolarHBondContact OE2-NH1 2.72Å; E812-W876 PolarHBondContact OE1-NE1 3.5Å; E812-W876 PolarHBondContact OE2-NE1 2.75Å
813	R	96.5	Very high	96.1	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.008	4%	0.042	C	C	.	.	H	α-helix	trans	-57	-42.2	178.5	-176.1	-173.1	-69	-178.7	-7.3	112.2	C666 S667 S702 T706 Y778 L780 Q809 F810 L811 I815 Y816 L817	C666-R813 PolarHBondContact O-NH2 2.9Å; S667-R813 VanDerWaalsContact O-CZ 3.32Å; S667-R813 PolarHBondContact O-NE 3.38Å; S667-R813 VanDerWaalsContact O-NE 3.08Å; S667-R813 PolarHBondContact O-NH2 3.47Å; S702-R813 PolarHBondContact OG-NH1 2.71Å; S702-R813 PolarHBondContact OG-NH2 2.97Å; T706-R813 HydrophobicContact CG2-CG 4.27Å; T706-R813 WeakPolarHBondContact OG1-CD 3.47Å; T706-R813 PolarHBondContact OG1-NH1 2.68Å; Y778-R813 PolarHBondContact OH-NH1 2.87Å; Y778-R813 VanDerWaalsContact OH-NH1 3.11Å; L780-R813 HydrophobicContact CD2-CG 4.33Å; Q809-R813 WeakPolarHBondContact O-CB 3.2Å; Q809-R813 PolarHBondContact O-N 3.49Å; F810-R813 PolarHBondContact O-N 3.01Å; L811-R813 VanDerWaalsContact C-N 3.34Å; L811-R813 PolarHBondContact O-N 3.42Å; R813-I815 VanDerWaalsContact C-N 3.35Å; R813-Y816 PolarHBondContact O-N 3.29Å; R813-L817 WeakPolarHBondContact O-CG 3.17Å; R813-L817 PolarHBondContact O-N 2.86Å
814	Y	97.8	Very high	96.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-62.4	-42.4	175.8	178.4	-128.6	0	0	0	111.8	V745 K759 V762 D763 L766 R781 I784 F810 L811 E812 Y816 L817 I818	V745-Y814 HydrophobicContact CG1-CD1 4.38Å; V745-Y814 HydrophobicContact CG1-CE1 3.87Å; V745-Y814 HydrophobicContact CG2-CD1 3.83Å; V745-Y814 HydrophobicContact CG2-CE1 4.04Å; K759-Y814 WeakPolarHBondContact CE-OH 3.44Å; K759-Y814 WeakPolarHBondContact CG-OH 3.48Å; K759-Y814 PolarHBondContact NZ-OH 2.84Å; V762-Y814 HydrophobicContact CG1-CD2 4.31Å; V762-Y814 HydrophobicContact CG1-CE2 4.06Å; D763-Y814 VanDerWaalsContact OD1-CE2 3.27Å; D763-Y814 WeakPolarHBondContact OD1-CE2 3.37Å; D763-Y814 VanDerWaalsContact OD1-CZ 3.28Å; D763-Y814 PolarHBondContact OD1-OH 3.03Å; D763-Y814 PolarHBondContact OD2-OH 3.41Å; L766-Y814 HydrophobicContact CD1-CD2 4.06Å; L766-Y814 HydrophobicContact CD1-CE2 4.05Å; R781-Y814 HydrophobicContact CG-CE2 4.2Å; I784-Y814 HydrophobicContact CD1-CD1 4.47Å; I784-Y814 HydrophobicContact CD1-CG 4.49Å; F810-Y814 PolarHBondContact O-N 2.79Å; L811-Y814 PolarHBondContact O-N 3.07Å; E812-Y814 VanDerWaalsContact C-N 3.27Å; E812-Y814 PolarHBondContact O-N 3.16Å; Y814-Y816 PolarHBondContact O-N 3.13Å; Y814-L817 PolarHBondContact O-N 3.31Å; Y814-I818 HydrophobicContact CD1-CD1 4.36Å; Y814-I818 HydrophobicContact CD2-CD1 4.47Å; Y814-I818 HydrophobicContact CE1-CD1 4.01Å; Y814-I818 HydrophobicContact CE2-CD1 4.13Å; Y814-I818 HydrophobicContact CE2-CG1 4.41Å; Y814-I818 WeakPolarHBondContact O-CG1 3.24Å; Y814-I818 PolarHBondContact O-N 3.2Å
815	I	98.3	Very high	96.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-59.6	-45	173.4	-67.7	169.8	0	0	0	111.3	V744 V745 V748 L811 E812 R813 L817 I818 L819 L853 L856	V744-I815 HydrophobicContact CG1-CD1 4.35Å; V744-I815 HydrophobicContact CG2-CD1 4.45Å; V745-I815 HydrophobicContact CG2-CD1 4.24Å; V745-I815 HydrophobicContact CG2-CG1 3.81Å; V748-I815 HydrophobicContact CG1-CG2 4.25Å; V748-I815 HydrophobicContact CG2-CG2 3.97Å; L811-I815 WeakPolarHBondContact O-CG1 3.44Å; L811-I815 PolarHBondContact O-N 3.23Å; L811-I815 VanDerWaalsContact O-N 3.1Å; E812-I815 WeakPolarHBondContact O-CA 3.37Å; E812-I815 WeakPolarHBondContact O-CB 3.4Å; E812-I815 PolarHBondContact O-N 3.43Å; R813-I815 VanDerWaalsContact C-N 3.35Å; I815-L817 VanDerWaalsContact C-N 3.32Å; I815-L817 PolarHBondContact O-N 2.85Å; I815-I818 WeakPolarHBondContact O-CB 3.42Å; I815-I818 PolarHBondContact O-N 2.8Å; I815-I818 VanDerWaalsContact O-N 3.14Å; I815-L819 HydrophobicContact CG2-CD1 3.79Å; I815-L819 HydrophobicContact CG2-CG 4.24Å; I815-L819 WeakPolarHBondContact O-CG 3.4Å; I815-L819 PolarHBondContact O-N 3.32Å; I815-L853 HydrophobicContact CD1-CD2 4.26Å; I815-L853 HydrophobicContact CG2-CD2 4.04Å; I815-L856 HydrophobicContact CD1-CD1 3.63Å
816	Y	98.4	Very high	97	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.9	-35.4	178.5	-90.3	-109.7	0	0	0	112.9	S668 E671 F674 E812 R813 Y814 I818 L819 F820 F836 M840 L853	S668-Y816 VanDerWaalsContact OG-CB 3.25Å; S668-Y816 WeakPolarHBondContact OG-CB 3.36Å; E671-Y816 HydrophobicContact CG-CE1 3.99Å; E671-Y816 PolarHBondContact OE1-OH 3.11Å; F674-Y816 AromaticContact CE2-CD1 3.88Å; F674-Y816 HydrophobicContact CE2-CD1 3.88Å; F674-Y816 HydrophobicContact CE2-CG 4.45Å; E812-Y816 HydrophobicContact CG-CD2 3.64Å; E812-Y816 HydrophobicContact CG-CE2 3.51Å; E812-Y816 WeakPolarHBondContact O-CD2 3.42Å; E812-Y816 PolarHBondContact O-N 3.39Å; R813-Y816 PolarHBondContact O-N 3.29Å; Y814-Y816 PolarHBondContact O-N 3.13Å; Y816-I818 VanDerWaalsContact C-N 3.34Å; Y816-L819 PolarHBondContact O-N 2.9Å; Y816-F820 VanDerWaalsContact O-CB 3.25Å; Y816-F820 WeakPolarHBondContact O-CB 2.81Å; Y816-F820 PolarHBondContact O-N 3.47Å; Y816-F836 HydrophobicContact CD1-CE1 4.26Å; Y816-F836 HydrophobicContact CD1-CZ 4.39Å; Y816-M840 HydrophobicContact CE1-CE 4.4Å; Y816-L853 HydrophobicContact CE2-CD1 3.77Å; Y816-L853 HydrophobicContact CE2-CD2 4.46Å
817	L	98.6	Very high	97.2	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	3%	0.033	C	C	.	.	H	α-helix	trans	-64.9	-38.7	174.2	-68.3	171.7	0	0	0	111.8	F674 T706 V709 V710 V762 L780 R813 Y814 I815 F820 N821	F674-L817 HydrophobicContact CE1-CD2 4.08Å; F674-L817 HydrophobicContact CZ-CD2 4.39Å; T706-L817 HydrophobicContact CG2-CD2 4.35Å; V709-L817 HydrophobicContact CB-CD2 4.21Å; V709-L817 HydrophobicContact CG1-CD1 4.13Å; V709-L817 HydrophobicContact CG1-CD2 3.83Å; V709-L817 HydrophobicContact CG1-CG 4.46Å; V710-L817 HydrophobicContact CG2-CD2 4.3Å; V762-L817 HydrophobicContact CG1-CB 3.75Å; V762-L817 HydrophobicContact CG2-CB 4.48Å; V762-L817 WeakPolarHBondContact CG2-O 3.27Å; L780-L817 HydrophobicContact CD2-CD1 3.85Å; R813-L817 WeakPolarHBondContact O-CG 3.17Å; R813-L817 PolarHBondContact O-N 2.86Å; Y814-L817 PolarHBondContact O-N 3.31Å; I815-L817 VanDerWaalsContact C-N 3.32Å; I815-L817 PolarHBondContact O-N 2.85Å; L817-F820 PolarHBondContact O-N 3.24Å; L817-N821 WeakPolarHBondContact O-CB 3.5Å; L817-N821 PolarHBondContact O-N 2.81Å
818	I	98.8	Very high	97.2	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	5%	0.053	C	C	.	.	H	α-helix	trans	-66	-44.1	174.7	-60.9	167.9	0	0	0	110.7	V745 L752 K759 V762 Y814 I815 Y816 N821 T822	V745-I818 HydrophobicContact CG1-CD1 3.85Å; L752-I818 HydrophobicContact CD1-CG2 3.83Å; K759-I818 HydrophobicContact CB-CD1 4.21Å; K759-I818 HydrophobicContact CB-CG1 4.46Å; K759-I818 HydrophobicContact CG-CD1 3.97Å; V762-I818 HydrophobicContact CB-CG1 4.34Å; V762-I818 HydrophobicContact CG1-CG1 4.4Å; V762-I818 HydrophobicContact CG2-CG1 4.26Å; Y814-I818 HydrophobicContact CD1-CD1 4.36Å; Y814-I818 HydrophobicContact CD2-CD1 4.47Å; Y814-I818 HydrophobicContact CE1-CD1 4.01Å; Y814-I818 HydrophobicContact CE2-CD1 4.13Å; Y814-I818 HydrophobicContact CE2-CG1 4.41Å; Y814-I818 WeakPolarHBondContact O-CG1 3.24Å; Y814-I818 PolarHBondContact O-N 3.2Å; I815-I818 WeakPolarHBondContact O-CB 3.42Å; I815-I818 PolarHBondContact O-N 2.8Å; I815-I818 VanDerWaalsContact O-N 3.14Å; Y816-I818 VanDerWaalsContact C-N 3.34Å; I818-N821 PolarHBondContact O-N 3.27Å; I818-T822 WeakPolarHBondContact O-CB 3.41Å; I818-T822 PolarHBondContact O-N 2.98Å; I818-T822 PolarHBondContact O-OG1 3.02Å
819	L	98.8	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.3	-44.8	175.7	-69	168.4	0	0	0	111.4	V748 L752 I815 Y816 T822 Y823 F836 M840 V849	V748-L819 HydrophobicContact CG1-CD2 4.03Å; V748-L819 HydrophobicContact CG1-CG 4.46Å; L752-L819 HydrophobicContact CD1-CD2 4.12Å; L752-L819 HydrophobicContact CD2-CD2 3.9Å; I815-L819 HydrophobicContact CG2-CD1 3.79Å; I815-L819 HydrophobicContact CG2-CG 4.24Å; I815-L819 WeakPolarHBondContact O-CG 3.4Å; I815-L819 PolarHBondContact O-N 3.32Å; Y816-L819 PolarHBondContact O-N 2.9Å; L819-T822 WeakPolarHBondContact O-CB 3.34Å; L819-T822 PolarHBondContact O-N 3.26Å; L819-T822 VanDerWaalsContact O-N 3.16Å; L819-Y823 PolarHBondContact O-N 2.99Å; L819-F836 HydrophobicContact CB-CE2 4.33Å; L819-F836 HydrophobicContact CB-CZ 4.28Å; L819-M840 HydrophobicContact CB-SD 4.33Å; L819-M840 HydrophobicContact CD1-CE 4.03Å; L819-M840 HydrophobicContact CD1-SD 4.16Å; L819-V849 HydrophobicContact CD1-CG1 3.64Å; L819-V849 HydrophobicContact CD2-CG1 3.99Å; L819-V849 HydrophobicContact CD2-CG2 4.06Å; L819-V849 HydrophobicContact CG-CG1 4.49Å
820	F	98.8	Very high	96.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.9	-44.4	177.7	-179.1	-107.1	0	0	0	111.9	F674 H678 V710 L713 Y816 L817 T822 Y823 L824 F836	F674-F820 HydrophobicContact CB-CD2 3.99Å; F674-F820 HydrophobicContact CB-CE2 4.03Å; F674-F820 HydrophobicContact CD1-CB 4.06Å; F674-F820 HydrophobicContact CD1-CD1 4.08Å; F674-F820 AromaticContact CD1-CD2 3.61Å; F674-F820 HydrophobicContact CD1-CD2 3.61Å; F674-F820 HydrophobicContact CD1-CE1 4.46Å; F674-F820 HydrophobicContact CD1-CE2 4.05Å; F674-F820 AromaticContact CD1-CG 3.63Å; F674-F820 HydrophobicContact CD1-CG 3.63Å; F674-F820 HydrophobicContact CD1-CZ 4.46Å; F674-F820 HydrophobicContact CE1-CB 4Å; F674-F820 HydrophobicContact CE1-CD1 4.32Å; F674-F820 HydrophobicContact CE1-CD2 4.39Å; F674-F820 AromaticContact CE1-CG 3.98Å; F674-F820 HydrophobicContact CE1-CG 3.98Å; F674-F820 HydrophobicContact CG-CD2 4.03Å; F674-F820 HydrophobicContact CG-CE2 4.45Å; F674-F820 HydrophobicContact CG-CG 4.43Å; H678-F820 HydrophobicContact CB-CE2 4.41Å; H678-F820 HydrophobicContact CB-CZ 4.11Å; V710-F820 HydrophobicContact CB-CE1 4.35Å; V710-F820 HydrophobicContact CG1-CE1 3.78Å; V710-F820 HydrophobicContact CG1-CZ 3.96Å; V710-F820 HydrophobicContact CG2-CD1 4.43Å; V710-F820 HydrophobicContact CG2-CE1 4.33Å; L713-F820 HydrophobicContact CD1-CD1 4.45Å; Y816-F820 VanDerWaalsContact O-CB 3.25Å; Y816-F820 WeakPolarHBondContact O-CB 2.81Å; Y816-F820 PolarHBondContact O-N 3.47Å; L817-F820 PolarHBondContact O-N 3.24Å; F820-T822 VanDerWaalsContact C-N 3.27Å; F820-T822 PolarHBondContact O-N 3.14Å; F820-Y823 AromaticContact CD2-CD1 3.92Å; F820-Y823 HydrophobicContact CD2-CD1 3.92Å; F820-Y823 HydrophobicContact CD2-CE1 4.44Å; F820-Y823 AromaticContact CE2-CD1 3.9Å; F820-Y823 HydrophobicContact CE2-CD1 3.9Å; F820-Y823 AromaticContact CE2-CE1 4Å; F820-Y823 HydrophobicContact CE2-CE1 4Å; F820-Y823 WeakPolarHBondContact O-CB 3.13Å; F820-Y823 PolarHBondContact O-N 3.18Å; F820-L824 HydrophobicContact CD1-CD1 4.04Å; F820-L824 HydrophobicContact CD1-CG 4.36Å; F820-L824 HydrophobicContact CE1-CD1 3.51Å; F820-L824 HydrophobicContact CE1-CD2 4.38Å; F820-L824 HydrophobicContact CE1-CG 3.96Å; F820-L824 HydrophobicContact CE2-CD2 4.43Å; F820-L824 HydrophobicContact CE2-CG 4.45Å; F820-L824 HydrophobicContact CZ-CD1 3.96Å; F820-L824 HydrophobicContact CZ-CD2 3.97Å; F820-L824 HydrophobicContact CZ-CG 4Å; F820-L824 WeakPolarHBondContact O-CG 3.26Å; F820-L824 PolarHBondContact O-N 3.23Å; F820-F836 HydrophobicContact CB-CD2 4.5Å; F820-F836 HydrophobicContact CB-CE2 4.08Å; F820-F836 HydrophobicContact CB-CZ 4.19Å; F820-F836 HydrophobicContact CD2-CB 4.18Å; F820-F836 HydrophobicContact CD2-CD1 4.22Å; F820-F836 AromaticContact CD2-CD2 3.86Å; F820-F836 HydrophobicContact CD2-CD2 3.86Å; F820-F836 HydrophobicContact CD2-CE2 4.27Å; F820-F836 AromaticContact CD2-CG 3.82Å; F820-F836 HydrophobicContact CD2-CG 3.82Å; F820-F836 HydrophobicContact CE2-CB 4.32Å; F820-F836 HydrophobicContact CE2-CG 4.43Å
821	N	98.6	Very high	96.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.1	-38.4	174.2	-172.6	33.9	0	0	0	111.6	L713 H717 R758 E761 V762 L817 I818 L824 H825	L713-N821 HydrophobicContact CD1-CB 4.13Å; L713-N821 HydrophobicContact CD2-CB 4.44Å; H717-N821 PolarHBondContact NE2-OD1 3.02Å; R758-N821 PolarHBondContact O-ND2 2.92Å; E761-N821 WeakPolarHBondContact CB-ND2 3.41Å; E761-N821 PolarHBondContact OE2-ND2 3.03Å; V762-N821 HydrophobicContact CG2-CB 3.74Å; L817-N821 WeakPolarHBondContact O-CB 3.5Å; L817-N821 PolarHBondContact O-N 2.81Å; I818-N821 PolarHBondContact O-N 3.27Å; N821-L824 PolarHBondContact O-N 2.92Å; N821-H825 PolarHBondContact O-CD2 3.16Å; N821-H825 VanDerWaalsContact O-CD2 3.25Å; N821-H825 PolarHBondContact O-N 3.21Å
822	T	98.6	Very high	96.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-45.4	176.3	-56.1	0	0	0	0	111.8	L752 R758 I818 L819 F820 L824 H825 L826	L752-T822 HydrophobicContact CB-CG2 4.39Å; L752-T822 HydrophobicContact CD2-CG2 4.11Å; R758-T822 WeakPolarHBondContact CB-OG1 3.24Å; R758-T822 WeakPolarHBondContact CG-OG1 3.4Å; I818-T822 WeakPolarHBondContact O-CB 3.41Å; I818-T822 PolarHBondContact O-N 2.98Å; I818-T822 PolarHBondContact O-OG1 3.02Å; L819-T822 WeakPolarHBondContact O-CB 3.34Å; L819-T822 PolarHBondContact O-N 3.26Å; L819-T822 VanDerWaalsContact O-N 3.16Å; F820-T822 VanDerWaalsContact C-N 3.27Å; F820-T822 PolarHBondContact O-N 3.14Å; T822-L824 VanDerWaalsContact C-N 3.32Å; T822-L824 PolarHBondContact O-N 2.99Å; T822-H825 PolarHBondContact O-N 3.41Å; T822-L826 HydrophobicContact CG2-CD1 3.9Å; T822-L826 HydrophobicContact CG2-CG 4.34Å; T822-L826 WeakPolarHBondContact O-CG 3.28Å; T822-L826 PolarHBondContact O-N 3.32Å
823	Y	98.6	Very high	96.3	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-53	-49	169.9	154.9	-101.1	0	0	0	111.5	L819 F820 H825 L826 E827 R834 F836 W839	L819-Y823 PolarHBondContact O-N 2.99Å; F820-Y823 AromaticContact CD2-CD1 3.92Å; F820-Y823 HydrophobicContact CD2-CD1 3.92Å; F820-Y823 HydrophobicContact CD2-CE1 4.44Å; F820-Y823 AromaticContact CE2-CD1 3.9Å; F820-Y823 HydrophobicContact CE2-CD1 3.9Å; F820-Y823 AromaticContact CE2-CE1 4Å; F820-Y823 HydrophobicContact CE2-CE1 4Å; F820-Y823 WeakPolarHBondContact O-CB 3.13Å; F820-Y823 PolarHBondContact O-N 3.18Å; Y823-H825 VanDerWaalsContact C-N 3.28Å; Y823-H825 PolarHBondContact O-N 3.06Å; Y823-L826 PolarHBondContact O-N 3.05Å; Y823-L826 VanDerWaalsContact O-N 3.16Å; Y823-E827 HydrophobicContact CD2-CB 4.11Å; Y823-E827 HydrophobicContact CD2-CG 3.59Å; Y823-E827 HydrophobicContact CE2-CB 3.87Å; Y823-E827 HydrophobicContact CE2-CG 3.61Å; Y823-E827 WeakPolarHBondContact O-CB 3.41Å; Y823-E827 PolarHBondContact O-N 2.92Å; Y823-R834 VanDerWaalsContact CE2-O 3.26Å; Y823-R834 WeakPolarHBondContact CE2-O 3.49Å; Y823-R834 PolarHBondContact OH-O 3.41Å; Y823-F836 HydrophobicContact CD1-CB 3.97Å; Y823-F836 AromaticContact CD1-CD2 3.84Å; Y823-F836 HydrophobicContact CD1-CD2 3.84Å; Y823-F836 HydrophobicContact CD1-CG 4.32Å; Y823-F836 HydrophobicContact CD2-CB 4.44Å; Y823-F836 HydrophobicContact CD2-CD2 4.24Å; Y823-F836 HydrophobicContact CE1-CB 3.9Å; Y823-F836 HydrophobicContact CE2-CB 4.35Å; Y823-F836 HydrophobicContact CG-CB 4.25Å; Y823-F836 AromaticContact CG-CD2 3.63Å; Y823-F836 HydrophobicContact CG-CD2 3.63Å; Y823-F836 HydrophobicContact CG-CG 4.42Å; Y823-W839 HydrophobicContact CD2-CB 3.67Å; Y823-W839 HydrophobicContact CD2-CD2 4.11Å; Y823-W839 AromaticContact CD2-CG 3.68Å; Y823-W839 HydrophobicContact CD2-CG 3.68Å; Y823-W839 HydrophobicContact CE2-CB 4.08Å; Y823-W839 HydrophobicContact CE2-CG 4.49Å
824	L	98.4	Very high	96.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.6	-41	-179.1	-73.1	179.3	0	0	0	111.4	L713 H717 F820 N821 T822 K828 W832	L713-L824 HydrophobicContact CB-CD1 4.05Å; H717-L824 VanDerWaalsContact CD2-CB 3.46Å; H717-L824 WeakPolarHBondContact CD2-CB 3.37Å; H717-L824 VanDerWaalsContact NE2-CB 3.32Å; H717-L824 WeakPolarHBondContact NE2-CB 3.1Å; F820-L824 HydrophobicContact CD1-CD1 4.04Å; F820-L824 HydrophobicContact CD1-CG 4.36Å; F820-L824 HydrophobicContact CE1-CD1 3.51Å; F820-L824 HydrophobicContact CE1-CD2 4.38Å; F820-L824 HydrophobicContact CE1-CG 3.96Å; F820-L824 HydrophobicContact CE2-CD2 4.43Å; F820-L824 HydrophobicContact CE2-CG 4.45Å; F820-L824 HydrophobicContact CZ-CD1 3.96Å; F820-L824 HydrophobicContact CZ-CD2 3.97Å; F820-L824 HydrophobicContact CZ-CG 4Å; F820-L824 WeakPolarHBondContact O-CG 3.26Å; F820-L824 PolarHBondContact O-N 3.23Å; N821-L824 PolarHBondContact O-N 2.92Å; T822-L824 VanDerWaalsContact C-N 3.32Å; T822-L824 PolarHBondContact O-N 2.99Å; L824-K828 WeakPolarHBondContact O-CB 3.13Å; L824-K828 PolarHBondContact O-N 3.09Å; L824-W832 HydrophobicContact CD2-CZ2 4.34Å; L824-W832 PolarHBondContact O-NE1 2.73Å
825	H	97.6	Very high	96.4	Very high	47 Å²	47	41.4 Å²	41.4	22%	0.218	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-47.4	174.9	-83	-81.1	0	0	0	113.1	H717 F721 R758 E761 N821 T822 Y823	H717-H825 AromaticContact CE1-CD2 3.26Å; H717-H825 PolarHBondContact CE1-CD2 3.01Å; H717-H825 AromaticContact CE1-CE1 3.51Å; H717-H825 AromaticContact CE1-CG 3.39Å; H717-H825 PolarHBondContact CE1-N 2.95Å; H717-H825 AromaticContact CE1-ND1 3.56Å; H717-H825 AromaticContact CE1-NE2 3.35Å; H717-H825 PolarHBondContact CE1-NE2 3.27Å; H717-H825 VanDerWaalsContact CE1-NE2 3.35Å; H717-H825 AromaticContact NE2-CD2 3.48Å; H717-H825 PolarHBondContact NE2-CD2 3.33Å; H717-H825 AromaticContact NE2-NE2 3.55Å; F721-H825 AromaticContact CE2-CE1 3.82Å; F721-H825 AromaticContact CE2-NE2 3.88Å; F721-H825 AromaticContact CZ-NE2 3.64Å; R758-H825 WeakPolarHBondContact CD-CD2 3.47Å; R758-H825 PolarHBondContact NE-CD2 3.48Å; R758-H825 PolarHBondContact NE-NE2 3.17Å; R758-H825 VanDerWaalsContact NH1-CB 3.26Å; E761-H825 IonicContact OE1-CE1 2.84Å; E761-H825 IonicContact OE1-NE2 2.74Å; E761-H825 PolarHBondContact OE1-NE2 2.8Å; E761-H825 IonicContact OE2-CD2 3.19Å; E761-H825 IonicContact OE2-CE1 3.61Å; E761-H825 IonicContact OE2-NE2 2.77Å; E761-H825 PolarHBondContact OE2-NE2 3.33Å; N821-H825 PolarHBondContact O-CD2 3.16Å; N821-H825 VanDerWaalsContact O-CD2 3.25Å; N821-H825 PolarHBondContact O-N 3.21Å; T822-H825 PolarHBondContact O-N 3.41Å; Y823-H825 VanDerWaalsContact C-N 3.28Å; Y823-H825 PolarHBondContact O-N 3.06Å
826	L	96.6	Very high	96.4	Very high	61 Å²	61	41.4 Å²	41.4	32%	0.319	20%	0.201	S	C	.	.	H	α-helix	trans	-70.7	-38.2	-172	-67.9	177.1	0	0	0	112.8	T822 Y823 W839	T822-L826 HydrophobicContact CG2-CD1 3.9Å; T822-L826 HydrophobicContact CG2-CG 4.34Å; T822-L826 WeakPolarHBondContact O-CG 3.28Å; T822-L826 PolarHBondContact O-N 3.32Å; Y823-L826 PolarHBondContact O-N 3.05Å; Y823-L826 VanDerWaalsContact O-N 3.16Å; L826-W839 HydrophobicContact CD1-CZ2 3.9Å
827	E	96.2	Very high	96.3	Very high	15 Å²	15	42.7 Å²	42.7	7%	0.07	21%	0.21	C	C	.	.	H	α-helix	trans	-94.9	-3.4	-175.4	-61.8	-69.6	153.9	0	0	112.7	Y823 K829 D830 S831 W832 R834 W839	Y823-E827 HydrophobicContact CD2-CB 4.11Å; Y823-E827 HydrophobicContact CD2-CG 3.59Å; Y823-E827 HydrophobicContact CE2-CB 3.87Å; Y823-E827 HydrophobicContact CE2-CG 3.61Å; Y823-E827 WeakPolarHBondContact O-CB 3.41Å; Y823-E827 PolarHBondContact O-N 2.92Å; E827-K829 VanDerWaalsContact C-N 3.3Å; E827-K829 PolarHBondContact O-N 3.25Å; E827-D830 CarbonylContact O-C 3.59Å; E827-D830 PolarHBondContact O-N 3.17Å; E827-D830 VanDerWaalsContact O-N 3.1Å; E827-S831 PolarHBondContact O-N 2.91Å; E827-W832 PolarHBondContact O-N 3.01Å; E827-R834 IonicContact OE1-CZ 3.99Å; E827-R834 IonicContact OE1-NH1 2.7Å; E827-R834 PolarHBondContact OE1-NH1 2.9Å; E827-R834 WeakPolarHBondContact OE2-CB 3.43Å; E827-R834 IonicContact OE2-NH1 2.81Å; E827-W839 VanDerWaalsContact OE1-CD1 3.31Å
828	K	93.4	Very high	96.2	Very high	96 Å²	96	44.9 Å²	44.9	42%	0.417	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-57.4	-39.7	178.2	178	169.9	176.3	177.2	0	113.1	H717 L824 D830 S831 W832	H717-K828 VanDerWaalsContact O-CE 3.27Å; H717-K828 WeakPolarHBondContact O-CE 3.21Å; H717-K828 PolarHBondContact O-NZ 3.47Å; L824-K828 WeakPolarHBondContact O-CB 3.13Å; L824-K828 PolarHBondContact O-N 3.09Å; K828-D830 PolarHBondContact O-N 3.04Å; K828-S831 PolarHBondContact O-N 2.95Å; K828-W832 HydrophobicContact CB-CZ2 3.89Å; K828-W832 HydrophobicContact CD-CZ2 4.24Å; K828-W832 HydrophobicContact CG-CH2 4.3Å; K828-W832 HydrophobicContact CG-CZ2 3.88Å
829	K	89.7	Confident	96.2	Very high	171 Å²	171	45.2 Å²	45.2	74%	0.743	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-59.8	-31	179.3	64.6	178.6	-177.4	173.7	0	112.5	E827 S831	E827-K829 VanDerWaalsContact C-N 3.3Å; E827-K829 PolarHBondContact O-N 3.25Å; K829-S831 VanDerWaalsContact C-N 3.33Å
830	D	88.8	Confident	96.2	Very high	85 Å²	85	45.2 Å²	45.2	46%	0.455	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-99.9	20	-179.6	-59	-47.4	0	0	0	111	E827 K828 W832 H833	E827-D830 CarbonylContact O-C 3.59Å; E827-D830 PolarHBondContact O-N 3.17Å; E827-D830 VanDerWaalsContact O-N 3.1Å; K828-D830 PolarHBondContact O-N 3.04Å; D830-W832 PolarHBondContact O-N 3.13Å; D830-W832 VanDerWaalsContact O-N 3.1Å; D830-H833 WeakPolarHBondContact O-CB 3.28Å; D830-H833 PolarHBondContact O-N 2.88Å; D830-H833 VanDerWaalsContact O-N 3.07Å
831	S	91.7	Very high	96	Very high	77 Å²	77	49.6 Å²	49.6	54%	0.538	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	31.8	-178.4	-58.6	0	0	0	0	113.8	R682 E827 K828 K829 H833	R682-S831 PolarHBondContact NH1-O 2.89Å; R682-S831 PolarHBondContact NH2-O 3.02Å; E827-S831 PolarHBondContact O-N 2.91Å; K828-S831 PolarHBondContact O-N 2.95Å; K829-S831 VanDerWaalsContact C-N 3.33Å; S831-H833 VanDerWaalsContact C-N 3.29Å; S831-H833 PolarHBondContact O-N 3.05Å
832	W	95.4	Very high	95.8	Very high	20 Å²	20	54 Å²	54	8%	0.076	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	43.9	-175.9	-51.2	-77	0	0	0	112.9	H678 H717 L718 L824 E827 K828 D830 R834	H678-W832 AromaticContact CE1-CD2 3.8Å; H678-W832 AromaticContact CE1-CG 3.63Å; H717-W832 HydrophobicContact CB-CH2 4.2Å; H717-W832 HydrophobicContact CB-CZ2 3.9Å; L718-W832 HydrophobicContact CD2-CH2 3.8Å; L718-W832 HydrophobicContact CD2-CZ3 3.8Å; L718-W832 HydrophobicContact CG-CH2 4.31Å; L824-W832 HydrophobicContact CD2-CZ2 4.34Å; L824-W832 PolarHBondContact O-NE1 2.73Å; E827-W832 PolarHBondContact O-N 3.01Å; K828-W832 HydrophobicContact CB-CZ2 3.89Å; K828-W832 HydrophobicContact CD-CZ2 4.24Å; K828-W832 HydrophobicContact CG-CH2 4.3Å; K828-W832 HydrophobicContact CG-CZ2 3.88Å; D830-W832 PolarHBondContact O-N 3.13Å; D830-W832 VanDerWaalsContact O-N 3.1Å; W832-R834 VanDerWaalsContact C-N 3.32Å; W832-R834 CarbonylContact C-O 3.58Å
833	H	94.1	Very high	95.7	Very high	175 Å²	175	56.5 Å²	56.5	81%	0.81	28%	0.281	S	S	*	.			trans	-62.7	-39.8	175.8	-177.2	54.7	0	0	0	112	D830 S831	D830-H833 WeakPolarHBondContact O-CB 3.28Å; D830-H833 PolarHBondContact O-N 2.88Å; D830-H833 VanDerWaalsContact O-N 3.07Å; S831-H833 VanDerWaalsContact C-N 3.29Å; S831-H833 PolarHBondContact O-N 3.05Å
834	R	96.6	Very high	95.6	Very high	84 Å²	84	56.4 Å²	56.4	32%	0.317	28%	0.281	S	S	.	.	S	Bend	trans	-75.1	130	166.8	-169.5	-174	-74.6	139.2	-6	109	Y823 E827 W832 V838 W839	Y823-R834 VanDerWaalsContact CE2-O 3.26Å; Y823-R834 WeakPolarHBondContact CE2-O 3.49Å; Y823-R834 PolarHBondContact OH-O 3.41Å; E827-R834 IonicContact OE1-CZ 3.99Å; E827-R834 IonicContact OE1-NH1 2.7Å; E827-R834 PolarHBondContact OE1-NH1 2.9Å; E827-R834 WeakPolarHBondContact OE2-CB 3.43Å; E827-R834 IonicContact OE2-NH1 2.81Å; W832-R834 VanDerWaalsContact C-N 3.32Å; W832-R834 CarbonylContact C-O 3.58Å; R834-V838 HydrophobicContact CG-CB 3.86Å; R834-V838 HydrophobicContact CG-CG1 3.66Å; R834-W839 HydrophobicContact CG-CB 4.38Å
835	S	97.9	Very high	95.4	Very high	34 Å²	34	56.5 Å²	56.5	24%	0.238	28%	0.282	C	S	.	.			trans	-71.7	162.6	173.5	72.8	0	0	0	0	111.5	D675 S837 V838 W839	D675-S835 WeakPolarHBondContact OD1-CB 3.37Å; D675-S835 WeakPolarHBondContact OD2-CB 3.25Å; D675-S835 PolarHBondContact OD2-OG 3.34Å; S835-S837 VanDerWaalsContact C-N 3.35Å; S835-S837 PolarHBondContact OG-OG 3.11Å; S835-V838 PolarHBondContact O-N 3.3Å; S835-V838 VanDerWaalsContact OG-CG2 3.26Å; S835-V838 WeakPolarHBondContact OG-CG2 3.39Å; S835-V838 PolarHBondContact OG-N 3.09Å; S835-W839 WeakPolarHBondContact O-CB 3.43Å; S835-W839 PolarHBondContact O-N 3.02Å
836	F	98.3	Very high	95.2	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-40.4	175.5	177	-112.2	0	0	0	111.5	E671 F674 D675 Y816 L819 F820 Y823 V838 W839 M840	E671-F836 HydrophobicContact CB-CD1 4.07Å; E671-F836 HydrophobicContact CB-CE1 4.19Å; E671-F836 HydrophobicContact CG-CD1 4.46Å; E671-F836 HydrophobicContact CG-CE1 4.12Å; F674-F836 HydrophobicContact CB-CB 4.47Å; F674-F836 HydrophobicContact CB-CD1 3.61Å; F674-F836 HydrophobicContact CB-CE1 4.2Å; F674-F836 HydrophobicContact CB-CG 4.3Å; F674-F836 AromaticContact CD2-CD1 3.96Å; F674-F836 HydrophobicContact CD2-CD1 3.96Å; F674-F836 AromaticContact CD2-CE1 3.67Å; F674-F836 HydrophobicContact CD2-CE1 3.67Å; F674-F836 HydrophobicContact CE2-CE1 4.23Å; F674-F836 AromaticContact CG-CD1 3.93Å; F674-F836 HydrophobicContact CG-CD1 3.93Å; F674-F836 AromaticContact CG-CE1 4Å; F674-F836 HydrophobicContact CG-CE1 4Å; D675-F836 WeakPolarHBondContact OD1-CA 3.41Å; D675-F836 VanDerWaalsContact OD1-CB 3.25Å; D675-F836 WeakPolarHBondContact OD1-CB 3.47Å; D675-F836 PolarHBondContact OD1-N 3.43Å; Y816-F836 HydrophobicContact CD1-CE1 4.26Å; Y816-F836 HydrophobicContact CD1-CZ 4.39Å; L819-F836 HydrophobicContact CB-CE2 4.33Å; L819-F836 HydrophobicContact CB-CZ 4.28Å; F820-F836 HydrophobicContact CB-CD2 4.5Å; F820-F836 HydrophobicContact CB-CE2 4.08Å; F820-F836 HydrophobicContact CB-CZ 4.19Å; F820-F836 HydrophobicContact CD2-CB 4.18Å; F820-F836 HydrophobicContact CD2-CD1 4.22Å; F820-F836 AromaticContact CD2-CD2 3.86Å; F820-F836 HydrophobicContact CD2-CD2 3.86Å; F820-F836 HydrophobicContact CD2-CE2 4.27Å; F820-F836 AromaticContact CD2-CG 3.82Å; F820-F836 HydrophobicContact CD2-CG 3.82Å; F820-F836 HydrophobicContact CE2-CB 4.32Å; F820-F836 HydrophobicContact CE2-CG 4.43Å; Y823-F836 HydrophobicContact CD1-CB 3.97Å; Y823-F836 AromaticContact CD1-CD2 3.84Å; Y823-F836 HydrophobicContact CD1-CD2 3.84Å; Y823-F836 HydrophobicContact CD1-CG 4.32Å; Y823-F836 HydrophobicContact CD2-CB 4.44Å; Y823-F836 HydrophobicContact CD2-CD2 4.24Å; Y823-F836 HydrophobicContact CE1-CB 3.9Å; Y823-F836 HydrophobicContact CE2-CB 4.35Å; Y823-F836 HydrophobicContact CG-CB 4.25Å; Y823-F836 AromaticContact CG-CD2 3.63Å; Y823-F836 HydrophobicContact CG-CD2 3.63Å; Y823-F836 HydrophobicContact CG-CG 4.42Å; F836-V838 PolarHBondContact O-N 3.17Å; F836-W839 HydrophobicContact CD2-CE3 4.09Å; F836-W839 AromaticContact CE2-CE3 3.97Å; F836-W839 HydrophobicContact CE2-CE3 3.97Å; F836-W839 HydrophobicContact CE2-CZ3 4.09Å; F836-W839 PolarHBondContact O-N 3.39Å; F836-M840 HydrophobicContact CD1-CG 4.18Å; F836-M840 HydrophobicContact CD2-CG 4.1Å; F836-M840 HydrophobicContact CE1-CG 3.76Å; F836-M840 HydrophobicContact CE1-SD 4.43Å; F836-M840 HydrophobicContact CE2-CG 3.66Å; F836-M840 HydrophobicContact CE2-SD 3.81Å; F836-M840 HydrophobicContact CG-CG 4.36Å; F836-M840 HydrophobicContact CZ-CG 3.49Å; F836-M840 VanDerWaalsContact CZ-CG 3.49Å; F836-M840 HydrophobicContact CZ-SD 3.64Å; F836-M840 WeakPolarHBondContact O-CB 3.43Å; F836-M840 WeakPolarHBondContact O-CG 3.14Å; F836-M840 PolarHBondContact O-N 3.38Å
837	S	97.4	Very high	95.2	Very high	28 Å²	28	63.5 Å²	63.5	20%	0.196	31%	0.312	C	S	.	.	H	α-helix	trans	-58.1	-48.1	174.5	56	0	0	0	0	112.9	D675 S835 W839 M840 E841	D675-S837 PolarHBondContact OD1-N 2.76Å; D675-S837 WeakPolarHBondContact OD2-CB 3.43Å; D675-S837 PolarHBondContact OD2-N 3.19Å; D675-S837 PolarHBondContact OD2-OG 2.9Å; S835-S837 VanDerWaalsContact C-N 3.35Å; S835-S837 PolarHBondContact OG-OG 3.11Å; S837-W839 VanDerWaalsContact C-N 3.31Å; S837-W839 PolarHBondContact O-N 2.87Å; S837-M840 PolarHBondContact O-N 2.82Å; S837-E841 PolarHBondContact O-N 3.4Å
838	V	96.9	Very high	95.1	Very high	47 Å²	47	63.5 Å²	63.5	29%	0.285	32%	0.316	S	S	.	.	H	α-helix	trans	-67.2	-35.1	178	177.3	0	0	0	0	110.9	R834 S835 F836 E841 Q842	R834-V838 HydrophobicContact CG-CB 3.86Å; R834-V838 HydrophobicContact CG-CG1 3.66Å; S835-V838 PolarHBondContact O-N 3.3Å; S835-V838 VanDerWaalsContact OG-CG2 3.26Å; S835-V838 WeakPolarHBondContact OG-CG2 3.39Å; S835-V838 PolarHBondContact OG-N 3.09Å; F836-V838 PolarHBondContact O-N 3.17Å; V838-E841 PolarHBondContact O-N 3.42Å; V838-Q842 VanDerWaalsContact CG1-CD 3.41Å; V838-Q842 HydrophobicContact CG1-CG 4.06Å; V838-Q842 VanDerWaalsContact O-CB 3.28Å; V838-Q842 WeakPolarHBondContact O-CB 3.49Å; V838-Q842 WeakPolarHBondContact O-CG 3.45Å; V838-Q842 PolarHBondContact O-N 2.92Å
839	W	98.1	Very high	95.3	Very high	8 Å²	8	59 Å²	59	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-66.1	-41.7	173.9	-178.6	89.3	0	0	0	112.4	Y823 L826 E827 R834 S835 F836 S837 E841 V843 A844	Y823-W839 HydrophobicContact CD2-CB 3.67Å; Y823-W839 HydrophobicContact CD2-CD2 4.11Å; Y823-W839 AromaticContact CD2-CG 3.68Å; Y823-W839 HydrophobicContact CD2-CG 3.68Å; Y823-W839 HydrophobicContact CE2-CB 4.08Å; Y823-W839 HydrophobicContact CE2-CG 4.49Å; L826-W839 HydrophobicContact CD1-CZ2 3.9Å; E827-W839 VanDerWaalsContact OE1-CD1 3.31Å; R834-W839 HydrophobicContact CG-CB 4.38Å; S835-W839 WeakPolarHBondContact O-CB 3.43Å; S835-W839 PolarHBondContact O-N 3.02Å; F836-W839 HydrophobicContact CD2-CE3 4.09Å; F836-W839 AromaticContact CE2-CE3 3.97Å; F836-W839 HydrophobicContact CE2-CE3 3.97Å; F836-W839 HydrophobicContact CE2-CZ3 4.09Å; F836-W839 PolarHBondContact O-N 3.39Å; S837-W839 VanDerWaalsContact C-N 3.31Å; S837-W839 PolarHBondContact O-N 2.87Å; W839-E841 VanDerWaalsContact C-N 3.31Å; W839-E841 PolarHBondContact O-N 3.4Å; W839-V843 HydrophobicContact CD2-CB 4.35Å; W839-V843 HydrophobicContact CG-CB 4.29Å; W839-V843 HydrophobicContact CG-CG2 4.32Å; W839-V843 HydrophobicContact CZ2-CG1 4.27Å; W839-V843 WeakPolarHBondContact O-CA 3.47Å; W839-V843 VanDerWaalsContact O-CB 3.26Å; W839-V843 WeakPolarHBondContact O-CB 3.12Å; W839-V843 PolarHBondContact O-N 2.69Å; W839-A844 HydrophobicContact CE3-CB 4.2Å; W839-A844 HydrophobicContact CH2-CB 4.17Å; W839-A844 HydrophobicContact CZ3-CB 3.8Å; W839-A844 PolarHBondContact O-N 2.88Å; W839-A844 VanDerWaalsContact O-N 3.11Å
840	M	97.9	Very high	95.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-61.1	-41.9	175.6	-77.4	-66.5	-63.8	0	0	111.3	E671 Y816 L819 F836 S837 A844 A845 V849 Y850	E671-M840 HydrophobicContact CG-CB 3.99Å; E671-M840 HydrophobicContact CG-CG 3.84Å; Y816-M840 HydrophobicContact CE1-CE 4.4Å; L819-M840 HydrophobicContact CB-SD 4.33Å; L819-M840 HydrophobicContact CD1-CE 4.03Å; L819-M840 HydrophobicContact CD1-SD 4.16Å; F836-M840 HydrophobicContact CD1-CG 4.18Å; F836-M840 HydrophobicContact CD2-CG 4.1Å; F836-M840 HydrophobicContact CE1-CG 3.76Å; F836-M840 HydrophobicContact CE1-SD 4.43Å; F836-M840 HydrophobicContact CE2-CG 3.66Å; F836-M840 HydrophobicContact CE2-SD 3.81Å; F836-M840 HydrophobicContact CG-CG 4.36Å; F836-M840 HydrophobicContact CZ-CG 3.49Å; F836-M840 VanDerWaalsContact CZ-CG 3.49Å; F836-M840 HydrophobicContact CZ-SD 3.64Å; F836-M840 WeakPolarHBondContact O-CB 3.43Å; F836-M840 WeakPolarHBondContact O-CG 3.14Å; F836-M840 PolarHBondContact O-N 3.38Å; S837-M840 PolarHBondContact O-N 2.82Å; M840-A844 HydrophobicContact CE-CB 4.16Å; M840-A844 WeakPolarHBondContact O-CB 3.43Å; M840-A844 PolarHBondContact O-N 3.05Å; M840-A844 HydrophobicContact SD-CB 3.6Å; M840-A844 VanDerWaalsContact SD-CB 3.6Å; M840-A845 WeakPolarHBondContact O-CB 3.44Å; M840-A845 PolarHBondContact O-N 2.64Å; M840-V849 HydrophobicContact CE-CG1 4.32Å; M840-Y850 HydrophobicContact CE-CE1 4.19Å; M840-Y850 HydrophobicContact CE-CE2 4.12Å; M840-Y850 WeakPolarHBondContact CE-OH 3.19Å
841	E	94.7	Very high	96	Very high	92 Å²	92	49.9 Å²	49.9	43%	0.43	26%	0.255	S	S	.	.	I	π-helix	trans	-72.9	-43.5	178.7	-174.9	177.3	-164.8	0	0	113.3	S837 V838 W839 A845	S837-E841 PolarHBondContact O-N 3.4Å; V838-E841 PolarHBondContact O-N 3.42Å; W839-E841 VanDerWaalsContact C-N 3.31Å; W839-E841 PolarHBondContact O-N 3.4Å; E841-A845 WeakPolarHBondContact O-CB 3.33Å
842	Q	94.7	Very high	96.1	Very high	92 Å²	92	46.9 Å²	46.9	43%	0.43	23%	0.233	S	C	.	.	I	π-helix	trans	-89.4	-26.7	-172.6	-65.4	-179.3	-6.2	0	0	113.7	V838 R846	V838-Q842 VanDerWaalsContact CG1-CD 3.41Å; V838-Q842 HydrophobicContact CG1-CG 4.06Å; V838-Q842 VanDerWaalsContact O-CB 3.28Å; V838-Q842 WeakPolarHBondContact O-CB 3.49Å; V838-Q842 WeakPolarHBondContact O-CG 3.45Å; V838-Q842 PolarHBondContact O-N 2.92Å; Q842-R846 WeakPolarHBondContact O-CD 3.33Å
843	V	96	Very high	96.2	Very high	52 Å²	52	46 Å²	46	32%	0.315	23%	0.23	S	C	.	.	I	π-helix	trans	-116.7	-58.6	-172.8	-173.1	0	0	0	0	110.9	W839 R846 A847	W839-V843 HydrophobicContact CD2-CB 4.35Å; W839-V843 HydrophobicContact CG-CB 4.29Å; W839-V843 HydrophobicContact CG-CG2 4.32Å; W839-V843 HydrophobicContact CZ2-CG1 4.27Å; W839-V843 WeakPolarHBondContact O-CA 3.47Å; W839-V843 VanDerWaalsContact O-CB 3.26Å; W839-V843 WeakPolarHBondContact O-CB 3.12Å; W839-V843 PolarHBondContact O-N 2.69Å; V843-R846 PolarHBondContact O-N 3.28Å; V843-A847 WeakPolarHBondContact O-CB 3.36Å; V843-A847 PolarHBondContact O-N 3.47Å
844	A	96.6	Very high	96.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	19%	0.194	C	C	.	.	I	π-helix	trans	-66.8	-43	-172.9	0	0	0	0	0	112.5	W839 M840 R846 A847 G848 V849	W839-A844 HydrophobicContact CE3-CB 4.2Å; W839-A844 HydrophobicContact CH2-CB 4.17Å; W839-A844 HydrophobicContact CZ3-CB 3.8Å; W839-A844 PolarHBondContact O-N 2.88Å; W839-A844 VanDerWaalsContact O-N 3.11Å; M840-A844 HydrophobicContact CE-CB 4.16Å; M840-A844 WeakPolarHBondContact O-CB 3.43Å; M840-A844 PolarHBondContact O-N 3.05Å; M840-A844 HydrophobicContact SD-CB 3.6Å; M840-A844 VanDerWaalsContact SD-CB 3.6Å; A844-R846 PolarHBondContact O-N 3.46Å; A844-A847 PolarHBondContact O-N 3.21Å; A844-G848 PolarHBondContact O-N 3.11Å; A844-V849 HydrophobicContact CB-CB 4.03Å; A844-V849 HydrophobicContact CB-CG1 4.47Å; A844-V849 HydrophobicContact CB-CG2 3.89Å; A844-V849 VanDerWaalsContact O-CB 3.31Å; A844-V849 WeakPolarHBondContact O-CB 3.43Å; A844-V849 WeakPolarHBondContact O-CG2 3.36Å; A844-V849 PolarHBondContact O-N 3.47Å
845	A	95.2	Very high	96	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.017	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-50.9	174.8	0	0	0	0	0	112	M840 E841 A847 G848 Y850	M840-A845 WeakPolarHBondContact O-CB 3.44Å; M840-A845 PolarHBondContact O-N 2.64Å; E841-A845 WeakPolarHBondContact O-CB 3.33Å; A845-A847 PolarHBondContact O-N 3.24Å; A845-G848 PolarHBondContact O-N 2.9Å; A845-Y850 HydrophobicContact CB-CD2 3.76Å; A845-Y850 HydrophobicContact CB-CE2 4.03Å
846	R	93.6	Very high	95.8	Very high	205 Å²	205	36.2 Å²	36.2	77%	0.774	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-26	178.6	-63.6	-173.3	-178.4	178.8	-2.3	113.5	Q842 V843 A844 G848	Q842-R846 WeakPolarHBondContact O-CD 3.33Å; V843-R846 PolarHBondContact O-N 3.28Å; A844-R846 PolarHBondContact O-N 3.46Å; R846-G848 PolarHBondContact O-N 3.15Å
847	A	95.2	Very high	95.5	Very high	50 Å²	50	36.3 Å²	36.3	41%	0.413	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-5.4	172.8	0	0	0	0	0	112.9	L751 V843 A844 A845	L751-A847 HydrophobicContact CD1-CB 4.49Å; L751-A847 WeakPolarHBondContact CD1-O 3.06Å; L751-A847 HydrophobicContact CD2-CB 4.31Å; L751-A847 VanDerWaalsContact CD2-O 3.28Å; L751-A847 WeakPolarHBondContact CD2-O 3.25Å; V843-A847 WeakPolarHBondContact O-CB 3.36Å; V843-A847 PolarHBondContact O-N 3.47Å; A844-A847 PolarHBondContact O-N 3.21Å; A845-A847 PolarHBondContact O-N 3.24Å
848	G	95.6	Very high	95.2	Very high	14 Å²	14	35 Å²	35	14%	0.144	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	20.2	179.2	0	0	0	0	0	114.5	A844 A845 R846 Y850 D851 I852	A844-G848 PolarHBondContact O-N 3.11Å; A845-G848 PolarHBondContact O-N 2.9Å; R846-G848 PolarHBondContact O-N 3.15Å; G848-Y850 PolarHBondContact O-N 2.75Å; G848-D851 WeakPolarHBondContact CA-OD2 3.22Å; G848-D851 PolarHBondContact O-N 3.03Å; G848-I852 PolarHBondContact O-N 3.18Å
849	V	97.5	Very high	94.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-62.5	-42.4	177.8	171.1	0	0	0	0	111.2	L751 L819 M840 A844 D851 I852 L853	L751-V849 HydrophobicContact CD2-CG2 3.7Å; L819-V849 HydrophobicContact CD1-CG1 3.64Å; L819-V849 HydrophobicContact CD2-CG1 3.99Å; L819-V849 HydrophobicContact CD2-CG2 4.06Å; L819-V849 HydrophobicContact CG-CG1 4.49Å; M840-V849 HydrophobicContact CE-CG1 4.32Å; A844-V849 HydrophobicContact CB-CB 4.03Å; A844-V849 HydrophobicContact CB-CG1 4.47Å; A844-V849 HydrophobicContact CB-CG2 3.89Å; A844-V849 VanDerWaalsContact O-CB 3.31Å; A844-V849 WeakPolarHBondContact O-CB 3.43Å; A844-V849 WeakPolarHBondContact O-CG2 3.36Å; A844-V849 PolarHBondContact O-N 3.47Å; V849-D851 VanDerWaalsContact C-N 3.33Å; V849-D851 PolarHBondContact O-N 3.37Å; V849-I852 PolarHBondContact O-N 3.01Å; V849-L853 HydrophobicContact CG1-CD1 4.11Å; V849-L853 HydrophobicContact CG1-CG 4.45Å; V849-L853 WeakPolarHBondContact O-CG 3.49Å; V849-L853 PolarHBondContact O-N 2.9Å
850	Y	97.1	Very high	94	Very high	12 Å²	12	37.2 Å²	37.2	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-71.5	-25.7	178.7	-71.9	-69	0	0	0	113.1	C476 A479 E671 M840 A845 G848 I852 L853 N854 L872 W876	C476-Y850 VanDerWaalsContact O-CB 3.23Å; C476-Y850 WeakPolarHBondContact O-CB 3.37Å; C476-Y850 WeakPolarHBondContact O-CD2 3.1Å; A479-Y850 HydrophobicContact CB-CD1 3.45Å; A479-Y850 VanDerWaalsContact CB-CD1 3.45Å; A479-Y850 HydrophobicContact CB-CD2 3.84Å; A479-Y850 HydrophobicContact CB-CE1 3.55Å; A479-Y850 HydrophobicContact CB-CE2 3.93Å; A479-Y850 HydrophobicContact CB-CG 3.61Å; E671-Y850 PolarHBondContact OE1-OH 3.06Å; M840-Y850 HydrophobicContact CE-CE1 4.19Å; M840-Y850 HydrophobicContact CE-CE2 4.12Å; M840-Y850 WeakPolarHBondContact CE-OH 3.19Å; A845-Y850 HydrophobicContact CB-CD2 3.76Å; A845-Y850 HydrophobicContact CB-CE2 4.03Å; G848-Y850 PolarHBondContact O-N 2.75Å; Y850-I852 VanDerWaalsContact C-N 3.3Å; Y850-I852 PolarHBondContact O-N 3.5Å; Y850-L853 HydrophobicContact CD1-CD1 3.82Å; Y850-L853 HydrophobicContact CE1-CD1 4.07Å; Y850-L853 PolarHBondContact O-N 2.99Å; Y850-N854 WeakPolarHBondContact O-CB 3.26Å; Y850-N854 PolarHBondContact O-N 3.1Å; Y850-L872 HydrophobicContact CD1-CD1 4.17Å; Y850-W876 HydrophobicContact CD1-CH2 4.31Å; Y850-W876 AromaticContact CE1-CH2 3.9Å; Y850-W876 HydrophobicContact CE1-CH2 3.9Å; Y850-W876 HydrophobicContact CE1-CZ2 4.48Å
851	D	94.8	Very high	93.2	Very high	54 Å²	54	41.9 Å²	41.9	29%	0.289	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-39.6	170.4	-60.1	-75.1	0	0	0	111.3	G848 V849 N854	G848-D851 WeakPolarHBondContact CA-OD2 3.22Å; G848-D851 PolarHBondContact O-N 3.03Å; V849-D851 VanDerWaalsContact C-N 3.33Å; V849-D851 PolarHBondContact O-N 3.37Å; D851-N854 PolarHBondContact O-N 3.29Å
852	I	95.5	Very high	92.5	Very high	14 Å²	14	40 Å²	40	7%	0.072	20%	0.2	C	C	.	.	H	α-helix	trans	-67.5	-44.4	174.5	-59.3	170.2	0	0	0	110.4	V744 R747 V748 L751 G848 V849 Y850 N854 Q855	V744-I852 HydrophobicContact CG2-CG2 3.59Å; R747-I852 HydrophobicContact CB-CD1 4.31Å; R747-I852 HydrophobicContact CB-CG2 4.33Å; V748-I852 HydrophobicContact CG2-CB 4.44Å; V748-I852 HydrophobicContact CG2-CD1 4.13Å; V748-I852 HydrophobicContact CG2-CG2 3.83Å; L751-I852 HydrophobicContact CD2-CD1 4.06Å; G848-I852 PolarHBondContact O-N 3.18Å; V849-I852 PolarHBondContact O-N 3.01Å; Y850-I852 VanDerWaalsContact C-N 3.3Å; Y850-I852 PolarHBondContact O-N 3.5Å; I852-N854 VanDerWaalsContact C-N 3.25Å; I852-N854 PolarHBondContact O-N 3.08Å; I852-Q855 CarbonylContact O-C 3.57Å; I852-Q855 PolarHBondContact O-N 2.93Å; I852-Q855 VanDerWaalsContact O-N 3.08Å
853	L	95.7	Very high	91.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.4	-24.4	178.2	-67.3	174.7	0	0	0	113.5	E812 I815 Y816 V849 Y850 Q855 L856 L872 R875	E812-L853 HydrophobicContact CG-CD2 4.27Å; I815-L853 HydrophobicContact CD1-CD2 4.26Å; I815-L853 HydrophobicContact CG2-CD2 4.04Å; Y816-L853 HydrophobicContact CE2-CD1 3.77Å; Y816-L853 HydrophobicContact CE2-CD2 4.46Å; V849-L853 HydrophobicContact CG1-CD1 4.11Å; V849-L853 HydrophobicContact CG1-CG 4.45Å; V849-L853 WeakPolarHBondContact O-CG 3.49Å; V849-L853 PolarHBondContact O-N 2.9Å; Y850-L853 HydrophobicContact CD1-CD1 3.82Å; Y850-L853 HydrophobicContact CE1-CD1 4.07Å; Y850-L853 PolarHBondContact O-N 2.99Å; L853-Q855 PolarHBondContact O-N 3.48Å; L853-L856 WeakPolarHBondContact O-CB 3.39Å; L853-L872 HydrophobicContact CB-CD2 4.06Å; L853-R875 PolarHBondContact O-NH2 2.8Å
854	N	94.3	Very high	90.2	Very high	13 Å²	13	37.6 Å²	37.6	7%	0.07	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	5.7	173.6	-162.4	37.9	0	0	0	113.3	Y850 D851 I852 A870 R871 L872	Y850-N854 WeakPolarHBondContact O-CB 3.26Å; Y850-N854 PolarHBondContact O-N 3.1Å; D851-N854 PolarHBondContact O-N 3.29Å; I852-N854 VanDerWaalsContact C-N 3.25Å; I852-N854 PolarHBondContact O-N 3.08Å; N854-A870 CarbonylContact C-O 3.54Å; N854-R871 WeakPolarHBondContact O-CD 3.41Å; N854-R871 WeakPolarHBondContact OD1-CA 3.32Å; N854-L872 HydrophobicContact CB-CD1 3.99Å; N854-L872 HydrophobicContact CB-CG 3.9Å; N854-L872 PolarHBondContact OD1-N 2.98Å
855	Q	92.6	Very high	88.7	Confident	75 Å²	75	46.9 Å²	46.9	35%	0.35	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.5	36	172.2	-60.8	175.4	8	0	0	109.8	I852 L853 C857 A870	I852-Q855 CarbonylContact O-C 3.57Å; I852-Q855 PolarHBondContact O-N 2.93Å; I852-Q855 VanDerWaalsContact O-N 3.08Å; L853-Q855 PolarHBondContact O-N 3.48Å; Q855-C857 PolarHBondContact O-N 2.89Å; Q855-A870 PolarHBondContact N-O 2.71Å
856	L	93.9	Very high	87.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.257	C	S	.	.			trans	-76.8	96.2	-174.4	-172.2	78.8	0	0	0	110.7	V744 L808 L811 E812 I815 L853 A870	V744-L856 HydrophobicContact CB-CD1 4.49Å; V744-L856 HydrophobicContact CG1-CD1 3.88Å; V744-L856 HydrophobicContact CG2-CD1 3.85Å; L808-L856 HydrophobicContact CB-CD2 4.32Å; L808-L856 HydrophobicContact CD2-CG 4.45Å; L808-L856 WeakPolarHBondContact CD2-O 3.4Å; L808-L856 WeakPolarHBondContact O-CD2 3.37Å; L811-L856 HydrophobicContact CD2-CD1 4.11Å; L811-L856 HydrophobicContact CD2-CG 4.41Å; L811-L856 HydrophobicContact CG-CD1 4.2Å; E812-L856 HydrophobicContact CB-CD2 3.72Å; I815-L856 HydrophobicContact CD1-CD1 3.63Å; L853-L856 WeakPolarHBondContact O-CB 3.39Å; L856-A870 PolarHBondContact N-O 3.28Å; L856-A870 WeakPolarHBondContact O-CA 3.48Å
857	C	91.5	Very high	87	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.02	23%	0.226	C	C	.	.	S	Bend	trans	-139	174.5	174	68.2	0	0	0	0	112.1	Q855 S859 P864 M867 A870	Q855-C857 PolarHBondContact O-N 2.89Å; C857-S859 PolarHBondContact O-N 2.92Å; C857-P864 HydrophobicContact CB-CB 4.5Å; C857-P864 WeakPolarHBondContact SG-CB 3.5Å; C857-P864 WeakPolarHBondContact SG-CG 3.48Å; C857-M867 HydrophobicContact CB-CE 4.23Å; C857-M867 HydrophobicContact CB-SD 3.46Å; C857-M867 WeakPolarHBondContact CB-SD 3.39Å; C857-A870 HydrophobicContact CB-CB 4.21Å
858	F	91.1	Very high	86.5	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	23%	0.229	C	C	.	.			trans	-90	79.3	164.8	-58.2	-79.2	0	0	0	108.9	F742 I784 Y788 L804 S807 L808 L811 E860 F861 E862	F742-F858 AromaticContact CD1-CD1 3.94Å; F742-F858 HydrophobicContact CD1-CD1 3.94Å; F742-F858 AromaticContact CD1-CE1 3.7Å; F742-F858 HydrophobicContact CD1-CE1 3.7Å; F742-F858 HydrophobicContact CE1-CD1 4.24Å; F742-F858 AromaticContact CE1-CE1 3.69Å; F742-F858 HydrophobicContact CE1-CE1 3.69Å; I784-F858 HydrophobicContact CG2-CE1 3.89Å; I784-F858 HydrophobicContact CG2-CZ 3.85Å; Y788-F858 AromaticContact CD2-CD2 3.38Å; Y788-F858 HydrophobicContact CD2-CD2 3.38Å; Y788-F858 AromaticContact CD2-CE2 3.41Å; Y788-F858 HydrophobicContact CD2-CE2 3.41Å; Y788-F858 VanDerWaalsContact CD2-CE2 3.41Å; Y788-F858 HydrophobicContact CD2-CG 4.21Å; Y788-F858 HydrophobicContact CD2-CZ 4.25Å; Y788-F858 HydrophobicContact CE2-CB 4.45Å; Y788-F858 AromaticContact CE2-CD2 3.42Å; Y788-F858 HydrophobicContact CE2-CD2 3.42Å; Y788-F858 VanDerWaalsContact CE2-CD2 3.42Å; Y788-F858 AromaticContact CE2-CE2 3.96Å; Y788-F858 HydrophobicContact CE2-CE2 3.96Å; Y788-F858 HydrophobicContact CE2-CG 4.14Å; Y788-F858 HydrophobicContact CG-CD2 4.15Å; Y788-F858 HydrophobicContact CG-CE2 4.05Å; Y788-F858 HydrophobicContact CG-CZ 4.48Å; L804-F858 HydrophobicContact CD1-CD2 4.46Å; L804-F858 HydrophobicContact CD1-CE2 4.48Å; S807-F858 WeakPolarHBondContact OG-CE2 3.45Å; S807-F858 WeakPolarHBondContact OG-CZ 3.44Å; L808-F858 HydrophobicContact CD2-CD2 3.97Å; L808-F858 HydrophobicContact CD2-CE2 3.64Å; L808-F858 HydrophobicContact CD2-CZ 4.31Å; L808-F858 HydrophobicContact CG-CE2 4.3Å; L811-F858 HydrophobicContact CD2-CD1 4.34Å; L811-F858 HydrophobicContact CD2-CE1 3.8Å; L811-F858 HydrophobicContact CD2-CZ 4.01Å; F858-E860 PolarHBondContact O-N 3.22Å; F858-F861 HydrophobicContact CB-CD2 3.56Å; F858-F861 HydrophobicContact CB-CE2 4.27Å; F858-F861 HydrophobicContact CB-CG 4.46Å; F858-F861 HydrophobicContact CG-CD2 4.25Å; F858-F861 PolarHBondContact O-N 3.24Å; F858-E862 PolarHBondContact O-N 3.14Å
859	S	85.9	Confident	86.3	Confident	43 Å²	43	45 Å²	45	30%	0.301	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.7	-176.5	45.5	0	0	0	0	113.8	E743 C857 F861	E743-S859 WeakPolarHBondContact CB-OG 3.5Å; E743-S859 WeakPolarHBondContact OE2-CB 3.44Å; E743-S859 PolarHBondContact OE2-OG 3.28Å; C857-S859 PolarHBondContact O-N 2.92Å; S859-F861 PolarHBondContact O-N 3.4Å
860	E	83.8	Confident	86	Confident	57 Å²	57	45 Å²	45	27%	0.266	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-15.3	172.4	-56	105.5	135.4	0	0	114	K736 E743 F858	K736-E860 IonicContact NZ-OE1 3.91Å; K736-E860 PolarHBondContact NZ-OE1 3.05Å; E743-E860 HydrophobicContact CB-CG 4.42Å; E743-E860 PolarHBondContact N-OE1 3.45Å; E743-E860 VanDerWaalsContact N-OE1 3.13Å; F858-E860 PolarHBondContact O-N 3.22Å
861	F	82.6	Confident	85.8	Confident	98 Å²	98	47.5 Å²	47.5	43%	0.43	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-28.2	-176.2	-52.4	-53.5	0	0	0	113.4	Y737 Y788 F858 S859	Y737-F861 HydrophobicContact CE1-CE2 4.36Å; Y737-F861 HydrophobicContact CE1-CZ 4.24Å; Y737-F861 HydrophobicContact CE2-CZ 4.18Å; Y737-F861 AromaticContact CZ-CZ 3.57Å; Y737-F861 WeakPolarHBondContact OH-CZ 3.47Å; Y788-F861 HydrophobicContact CD1-CD2 4.11Å; Y788-F861 HydrophobicContact CD1-CE2 4.05Å; Y788-F861 HydrophobicContact CE1-CB 4.36Å; Y788-F861 AromaticContact CE1-CD2 3.27Å; Y788-F861 HydrophobicContact CE1-CD2 3.27Å; Y788-F861 AromaticContact CE1-CE2 3.62Å; Y788-F861 HydrophobicContact CE1-CE2 3.62Å; Y788-F861 AromaticContact CE1-CG 3.93Å; Y788-F861 HydrophobicContact CE1-CG 3.93Å; Y788-F861 HydrophobicContact CE1-CZ 4.47Å; Y788-F861 AromaticContact CZ-CD2 3.59Å; Y788-F861 WeakPolarHBondContact OH-CB 3.37Å; F858-F861 HydrophobicContact CB-CD2 3.56Å; F858-F861 HydrophobicContact CB-CE2 4.27Å; F858-F861 HydrophobicContact CB-CG 4.46Å; F858-F861 HydrophobicContact CG-CD2 4.25Å; F858-F861 PolarHBondContact O-N 3.24Å; S859-F861 PolarHBondContact O-N 3.4Å
862	E	79.4	Confident	85.8	Confident	53 Å²	53	45 Å²	45	25%	0.248	22%	0.222	C	C	.	.	S	Bend	trans	-138.3	148.3	-166.7	-67.4	162.8	178.9	0	0	111.4	Y788 F858 P864 M867	Y788-E862 WeakPolarHBondContact CE2-OE1 3.46Å; Y788-E862 VanDerWaalsContact OH-CD 3.25Å; Y788-E862 PolarHBondContact OH-OE1 3.31Å; F858-E862 PolarHBondContact O-N 3.14Å; E862-P864 WeakPolarHBondContact O-CD 3.38Å; E862-M867 HydrophobicContact CB-CG 4.33Å; E862-M867 HydrophobicContact CB-SD 3.45Å; E862-M867 WeakPolarHBondContact CB-SD 3.48Å; E862-M867 HydrophobicContact CG-SD 4.2Å; E862-M867 WeakPolarHBondContact OE2-CE 3.38Å
863	D	74.4	Confident	85.6	Confident	56 Å²	56	44.9 Å²	44.9	30%	0.299	22%	0.221	S	C	.	.			trans	-79.8	117	172.6	-172.8	-24.4	0	0	0	110	R865 V866 M867	D863-R865 PolarHBondContact O-N 3.48Å; D863-R865 VanDerWaalsContact O-N 3.08Å; D863-R865 WeakPolarHBondContact OD1-CB 3.37Å; D863-R865 PolarHBondContact OD1-N 2.86Å; D863-R865 IonicContact OD1-NE 3.64Å; D863-R865 PolarHBondContact OD1-NE 3.25Å; D863-R865 IonicContact OD2-CZ 2.72Å; D863-R865 IonicContact OD2-NE 3.34Å; D863-R865 PolarHBondContact OD2-NE 3.13Å; D863-R865 IonicContact OD2-NH2 3.91Å; D863-R865 PolarHBondContact OD2-NH2 3.34Å; D863-V866 HydrophobicContact CB-CG2 4.08Å; D863-V866 PolarHBondContact O-N 3.08Å; D863-V866 VanDerWaalsContact O-N 3.1Å; D863-M867 WeakPolarHBondContact O-CG 3.26Å
864	P	67.6	Low	85.3	Confident	38 Å²	38	48 Å²	48	25%	0.247	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.5	178.2	-5.4	3.3	0	0	0	114.3	C857 E862 V866 M867	C857-P864 HydrophobicContact CB-CB 4.5Å; C857-P864 WeakPolarHBondContact SG-CB 3.5Å; C857-P864 WeakPolarHBondContact SG-CG 3.48Å; E862-P864 WeakPolarHBondContact O-CD 3.38Å; P864-V866 VanDerWaalsContact C-N 3.27Å; P864-V866 PolarHBondContact O-N 2.96Å; P864-M867 PolarHBondContact O-N 3.21Å
865	R	66.6	Low	85.2	Confident	196 Å²	196	47.4 Å²	47.4	74%	0.74	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.3	-177	-64.4	175.1	-68.2	-179.1	6.9	112.8	D863	D863-R865 PolarHBondContact O-N 3.48Å; D863-R865 VanDerWaalsContact O-N 3.08Å; D863-R865 WeakPolarHBondContact OD1-CB 3.37Å; D863-R865 PolarHBondContact OD1-N 2.86Å; D863-R865 IonicContact OD1-NE 3.64Å; D863-R865 PolarHBondContact OD1-NE 3.25Å; D863-R865 IonicContact OD2-CZ 2.72Å; D863-R865 IonicContact OD2-NE 3.34Å; D863-R865 PolarHBondContact OD2-NE 3.13Å; D863-R865 IonicContact OD2-NH2 3.91Å; D863-R865 PolarHBondContact OD2-NH2 3.34Å
866	V	71.5	Confident	85.2	Confident	112 Å²	112	43.9 Å²	43.9	68%	0.679	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-13.7	-179.4	-172.4	0	0	0	0	110.9	D863 P864 T868	D863-V866 HydrophobicContact CB-CG2 4.08Å; D863-V866 PolarHBondContact O-N 3.08Å; D863-V866 VanDerWaalsContact O-N 3.1Å; P864-V866 VanDerWaalsContact C-N 3.27Å; P864-V866 PolarHBondContact O-N 2.96Å; V866-T868 PolarHBondContact O-N 3.39Å
867	M	80.9	Confident	84.8	Confident	23 Å²	23	45.8 Å²	45.8	11%	0.113	22%	0.222	C	C	.	.			trans	-94.6	101.5	-173.7	-68.7	-174	77.8	0	0	112.8	L804 L808 C857 E862 D863 P864 L869 A870	L804-M867 HydrophobicContact CD1-CE 3.91Å; L804-M867 HydrophobicContact CD2-CE 3.57Å; L804-M867 HydrophobicContact CG-CE 4.19Å; L808-M867 HydrophobicContact CD1-CE 4.46Å; C857-M867 HydrophobicContact CB-CE 4.23Å; C857-M867 HydrophobicContact CB-SD 3.46Å; C857-M867 WeakPolarHBondContact CB-SD 3.39Å; E862-M867 HydrophobicContact CB-CG 4.33Å; E862-M867 HydrophobicContact CB-SD 3.45Å; E862-M867 WeakPolarHBondContact CB-SD 3.48Å; E862-M867 HydrophobicContact CG-SD 4.2Å; E862-M867 WeakPolarHBondContact OE2-CE 3.38Å; D863-M867 WeakPolarHBondContact O-CG 3.26Å; P864-M867 PolarHBondContact O-N 3.21Å; M867-L869 VanDerWaalsContact C-N 3.26Å; M867-L869 PolarHBondContact O-N 2.95Å; M867-A870 HydrophobicContact CB-CB 3.94Å; M867-A870 VanDerWaalsContact O-CB 3.26Å; M867-A870 WeakPolarHBondContact O-CB 3.17Å; M867-A870 PolarHBondContact O-N 3.26Å
868	T	85.3	Confident	84.4	Confident	79 Å²	79	49.4 Å²	49.4	49%	0.485	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-55.3	-41.9	173.9	54.4	0	0	0	0	112.3	V866 A870 R871 Y874	V866-T868 PolarHBondContact O-N 3.39Å; T868-A870 PolarHBondContact O-N 3.35Å; T868-A870 VanDerWaalsContact O-N 3.14Å; T868-R871 PolarHBondContact O-N 2.8Å; T868-R871 VanDerWaalsContact O-N 3.16Å; T868-Y874 WeakPolarHBondContact O-CB 3.42Å; T868-Y874 VanDerWaalsContact O-CD2 3.27Å; T868-Y874 WeakPolarHBondContact O-CD2 3.32Å
869	L	90.8	Very high	83.6	Confident	16 Å²	16	50.8 Å²	50.8	8%	0.084	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-68.1	-7.7	177.8	-64	-178.8	0	0	0	114.2	L804 L805 L808 M867 R871 R875 Q878	L804-L869 HydrophobicContact CB-CD1 4.47Å; L804-L869 HydrophobicContact CD2-CD1 4.09Å; L804-L869 HydrophobicContact CG-CD1 4.19Å; L805-L869 HydrophobicContact CB-CD1 3.96Å; L805-L869 HydrophobicContact CD1-CD2 4.31Å; L808-L869 HydrophobicContact CD1-CB 3.94Å; M867-L869 VanDerWaalsContact C-N 3.26Å; M867-L869 PolarHBondContact O-N 2.95Å; L869-R871 VanDerWaalsContact C-N 3.27Å; L869-R875 WeakPolarHBondContact O-CB 3.32Å; L869-R875 WeakPolarHBondContact O-CD 3.07Å; L869-R875 PolarHBondContact O-NE 3.33Å; L869-Q878 HydrophobicContact CD2-CG 4.22Å
870	A	91.8	Very high	82.6	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.008	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-72.3	-24.9	172.3	0	0	0	0	0	112.3	N854 Q855 L856 C857 M867 T868	N854-A870 CarbonylContact C-O 3.54Å; Q855-A870 PolarHBondContact N-O 2.71Å; L856-A870 PolarHBondContact N-O 3.28Å; L856-A870 WeakPolarHBondContact O-CA 3.48Å; C857-A870 HydrophobicContact CB-CB 4.21Å; M867-A870 HydrophobicContact CB-CB 3.94Å; M867-A870 VanDerWaalsContact O-CB 3.26Å; M867-A870 WeakPolarHBondContact O-CB 3.17Å; M867-A870 PolarHBondContact O-N 3.26Å; T868-A870 PolarHBondContact O-N 3.35Å; T868-A870 VanDerWaalsContact O-N 3.14Å
871	R	92.2	Very high	81.6	Confident	66 Å²	66	52.7 Å²	52.7	25%	0.249	25%	0.253	C	S	.	.	S	Bend	trans	-84.8	143.2	-177.1	-51.1	-54.8	-161.2	143.6	16.9	112	E301 N854 T868 L869 R873 Y874 R875	E301-R871 IonicContact OE1-CZ 3.43Å; E301-R871 IonicContact OE1-NH1 3.3Å; E301-R871 IonicContact OE1-NH2 2.77Å; E301-R871 PolarHBondContact OE1-NH2 2.99Å; N854-R871 WeakPolarHBondContact O-CD 3.41Å; N854-R871 WeakPolarHBondContact OD1-CA 3.32Å; T868-R871 PolarHBondContact O-N 2.8Å; T868-R871 VanDerWaalsContact O-N 3.16Å; L869-R871 VanDerWaalsContact C-N 3.27Å; R871-R873 VanDerWaalsContact C-N 3.34Å; R871-R873 PolarHBondContact O-N 3.49Å; R871-Y874 HydrophobicContact CB-CD2 4.02Å; R871-Y874 HydrophobicContact CG-CD2 4.35Å; R871-Y874 PolarHBondContact O-N 3.38Å; R871-R875 WeakPolarHBondContact O-CB 3.23Å; R871-R875 PolarHBondContact O-N 2.83Å
872	L	93.8	Very high	80.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.8	-47.1	176.4	-70.5	175.9	0	0	0	111.5	A479 Y482 Y850 L853 N854 Y874 R875 W876	A479-L872 HydrophobicContact CB-CD1 4.46Å; Y482-L872 HydrophobicContact CD2-CB 3.81Å; Y482-L872 HydrophobicContact CD2-CD1 3.9Å; Y482-L872 HydrophobicContact CE2-CB 4.09Å; Y482-L872 HydrophobicContact CE2-CD1 4.04Å; Y482-L872 HydrophobicContact CG-CB 4.09Å; Y850-L872 HydrophobicContact CD1-CD1 4.17Å; L853-L872 HydrophobicContact CB-CD2 4.06Å; N854-L872 HydrophobicContact CB-CD1 3.99Å; N854-L872 HydrophobicContact CB-CG 3.9Å; N854-L872 PolarHBondContact OD1-N 2.98Å; L872-Y874 VanDerWaalsContact C-N 3.33Å; L872-Y874 PolarHBondContact O-N 2.85Å; L872-R875 PolarHBondContact O-N 2.74Å; L872-W876 HydrophobicContact CD1-CH2 4.46Å; L872-W876 HydrophobicContact CD2-CD2 4Å; L872-W876 VanDerWaalsContact CD2-CE2 3.48Å; L872-W876 HydrophobicContact CD2-CE3 4.37Å; L872-W876 HydrophobicContact CD2-CH2 3.87Å; L872-W876 HydrophobicContact CD2-CZ2 3.44Å; L872-W876 VanDerWaalsContact CD2-CZ2 3.44Å; L872-W876 HydrophobicContact CD2-CZ3 4.29Å; L872-W876 WeakPolarHBondContact O-CB 3.4Å; L872-W876 PolarHBondContact O-N 2.84Å
873	R	91.7	Very high	79.9	Confident	13 Å²	13	51.2 Å²	51.2	5%	0.049	26%	0.256	C	S	.	.	H	α-helix	trans	-47.8	-53.1	-179.9	-178.1	171.9	-179.9	172.2	-6.8	112.2	A297 P298 E300 E447 Y451 Y482 R871 Q877	A297-R873 PolarHBondContact O-NH2 3.21Å; A297-R873 VanDerWaalsContact O-NH2 3.08Å; P298-R873 PolarHBondContact O-NH1 3.31Å; E300-R873 VanDerWaalsContact OE2-CD 3.25Å; E300-R873 WeakPolarHBondContact OE2-CD 3.28Å; E300-R873 IonicContact OE2-CZ 3.03Å; E300-R873 IonicContact OE2-NE 3.4Å; E300-R873 IonicContact OE2-NH1 3.59Å; E300-R873 PolarHBondContact OE2-NH1 2.83Å; E447-R873 IonicContact OE1-CZ 2.67Å; E447-R873 IonicContact OE1-NE 3.6Å; E447-R873 PolarHBondContact OE1-NE 3.24Å; E447-R873 IonicContact OE1-NH2 3.17Å; E447-R873 PolarHBondContact OE1-NH2 3.18Å; Y451-R873 WeakPolarHBondContact OH-CD 3.27Å; Y451-R873 PolarHBondContact OH-NE 3.13Å; Y482-R873 HydrophobicContact CD1-CB 4.04Å; Y482-R873 HydrophobicContact CE1-CB 3.79Å; Y482-R873 HydrophobicContact CE1-CG 4.43Å; R871-R873 VanDerWaalsContact C-N 3.34Å; R871-R873 PolarHBondContact O-N 3.49Å; R873-Q877 WeakPolarHBondContact O-CB 3.31Å; R873-Q877 PolarHBondContact O-N 3.01Å
874	Y	90.2	Very high	80	Confident	66 Å²	66	50.1 Å²	50.1	26%	0.259	25%	0.25	S	S	.	.	H	α-helix	trans	-80.1	-47	-178.5	-60.3	-64.6	0	0	0	112.3	L299 T868 R871 L872 W876 Q877 Q878	L299-Y874 WeakPolarHBondContact CD2-OH 3.49Å; T868-Y874 WeakPolarHBondContact O-CB 3.42Å; T868-Y874 VanDerWaalsContact O-CD2 3.27Å; T868-Y874 WeakPolarHBondContact O-CD2 3.32Å; R871-Y874 HydrophobicContact CB-CD2 4.02Å; R871-Y874 HydrophobicContact CG-CD2 4.35Å; R871-Y874 PolarHBondContact O-N 3.38Å; L872-Y874 VanDerWaalsContact C-N 3.33Å; L872-Y874 PolarHBondContact O-N 2.85Å; Y874-W876 VanDerWaalsContact C-N 3.33Å; Y874-W876 PolarHBondContact O-N 2.86Å; Y874-Q877 PolarHBondContact O-N 3.24Å; Y874-Q878 WeakPolarHBondContact O-CB 3.15Å; Y874-Q878 WeakPolarHBondContact O-CG 3.26Å; Y874-Q878 PolarHBondContact O-N 2.84Å
875	R	92.3	Very high	80.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-38.3	-172.6	-170.1	165.8	47.9	77.8	1	112.5	L805 E812 L853 L869 R871 L872 Q879	L805-R875 HydrophobicContact CD1-CG 3.86Å; E812-R875 IonicContact OE1-CZ 3.59Å; E812-R875 VanDerWaalsContact OE1-CZ 3.32Å; E812-R875 IonicContact OE1-NH1 3.27Å; E812-R875 PolarHBondContact OE1-NH1 3.14Å; E812-R875 IonicContact OE1-NH2 3.67Å; E812-R875 PolarHBondContact OE1-NH2 2.85Å; E812-R875 IonicContact OE2-CZ 2.61Å; E812-R875 IonicContact OE2-NH1 3.31Å; E812-R875 PolarHBondContact OE2-NH1 2.72Å; L853-R875 PolarHBondContact O-NH2 2.8Å; L869-R875 WeakPolarHBondContact O-CB 3.32Å; L869-R875 WeakPolarHBondContact O-CD 3.07Å; L869-R875 PolarHBondContact O-NE 3.33Å; R871-R875 WeakPolarHBondContact O-CB 3.23Å; R871-R875 PolarHBondContact O-N 2.83Å; L872-R875 PolarHBondContact O-N 2.74Å; R875-Q879 WeakPolarHBondContact O-CG 3.42Å; R875-Q879 PolarHBondContact O-N 2.86Å
876	W	91.3	Very high	81.6	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-78.8	-36.4	177.2	-69.8	-2.6	0	0	0	112.2	A479 Y482 R483 A486 E812 Y850 L872 Y874 Q878 Q879	A479-W876 HydrophobicContact CB-CH2 4.24Å; A479-W876 HydrophobicContact CB-CZ3 4.28Å; A479-W876 WeakPolarHBondContact O-CZ3 3.37Å; Y482-W876 VanDerWaalsContact CB-CE3 3.49Å; R483-W876 VanDerWaalsContact CD-CE3 3.42Å; R483-W876 HydrophobicContact CG-CE3 3.74Å; R483-W876 HydrophobicContact CG-CH2 4.17Å; R483-W876 HydrophobicContact CG-CZ3 3.51Å; A486-W876 HydrophobicContact CB-CB 4.32Å; A486-W876 WeakPolarHBondContact CB-O 3.48Å; E812-W876 PolarHBondContact OE1-NE1 3.5Å; E812-W876 PolarHBondContact OE2-NE1 2.75Å; Y850-W876 HydrophobicContact CD1-CH2 4.31Å; Y850-W876 AromaticContact CE1-CH2 3.9Å; Y850-W876 HydrophobicContact CE1-CH2 3.9Å; Y850-W876 HydrophobicContact CE1-CZ2 4.48Å; L872-W876 HydrophobicContact CD1-CH2 4.46Å; L872-W876 HydrophobicContact CD2-CD2 4Å; L872-W876 VanDerWaalsContact CD2-CE2 3.48Å; L872-W876 HydrophobicContact CD2-CE3 4.37Å; L872-W876 HydrophobicContact CD2-CH2 3.87Å; L872-W876 HydrophobicContact CD2-CZ2 3.44Å; L872-W876 VanDerWaalsContact CD2-CZ2 3.44Å; L872-W876 HydrophobicContact CD2-CZ3 4.29Å; L872-W876 WeakPolarHBondContact O-CB 3.4Å; L872-W876 PolarHBondContact O-N 2.84Å; Y874-W876 VanDerWaalsContact C-N 3.33Å; Y874-W876 PolarHBondContact O-N 2.86Å; W876-Q878 VanDerWaalsContact C-N 3.28Å; W876-Q878 PolarHBondContact O-N 2.63Å; W876-Q879 VanDerWaalsContact O-CB 3.25Å; W876-Q879 WeakPolarHBondContact O-CB 3.41Å; W876-Q879 PolarHBondContact O-N 3.37Å
877	Q	87.4	Confident	82.3	Confident	40 Å²	40	40.8 Å²	40.8	19%	0.187	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-38.5	173.6	-167.1	-176.5	14.4	0	0	111.7	R873 Y874 Q879 D880 I881	R873-Q877 WeakPolarHBondContact O-CB 3.31Å; R873-Q877 PolarHBondContact O-N 3.01Å; Y874-Q877 PolarHBondContact O-N 3.24Å; Q877-Q879 PolarHBondContact O-N 2.95Å; Q877-D880 PolarHBondContact O-N 3.11Å; Q877-I881 HydrophobicContact CG-CD1 3.86Å; Q877-I881 WeakPolarHBondContact O-CG1 3.37Å; Q877-I881 PolarHBondContact O-N 2.84Å
878	Q	83.1	Confident	82.6	Confident	78 Å²	78	40.4 Å²	40.4	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-72.9	-8	175.7	-64.3	-70.5	-32.9	0	0	113.7	L805 L869 Y874 W876 D880	L805-Q878 HydrophobicContact CD1-CB 4.37Å; L805-Q878 HydrophobicContact CD2-CB 3.8Å; L869-Q878 HydrophobicContact CD2-CG 4.22Å; Y874-Q878 WeakPolarHBondContact O-CB 3.15Å; Y874-Q878 WeakPolarHBondContact O-CG 3.26Å; Y874-Q878 PolarHBondContact O-N 2.84Å; W876-Q878 VanDerWaalsContact C-N 3.28Å; W876-Q878 PolarHBondContact O-N 2.63Å; Q878-D880 VanDerWaalsContact C-N 3.31Å
879	Q	73.6	Confident	82.7	Confident	31 Å²	31	42.2 Å²	42.2	15%	0.145	21%	0.209	C	C	.	.	H	α-helix	trans	-68	-35.6	170.7	-71.7	169.8	5.4	0	0	111.2	S667 Q809 R875 W876 Q877	S667-Q879 VanDerWaalsContact CB-CD 3.49Å; Q809-Q879 HydrophobicContact CG-CG 4.5Å; R875-Q879 WeakPolarHBondContact O-CG 3.42Å; R875-Q879 PolarHBondContact O-N 2.86Å; W876-Q879 VanDerWaalsContact O-CB 3.25Å; W876-Q879 WeakPolarHBondContact O-CB 3.41Å; W876-Q879 PolarHBondContact O-N 3.37Å; Q877-Q879 PolarHBondContact O-N 2.95Å
880	D	64.1	Low	82.6	Confident	63 Å²	63	41.6 Å²	41.6	34%	0.337	21%	0.206	S	C	.	.	H	α-helix	trans	-102	-14.3	-174.2	-61.9	-36.9	0	0	0	112.4	Q877 Q878 Q882	Q877-D880 PolarHBondContact O-N 3.11Å; Q878-D880 VanDerWaalsContact C-N 3.31Å; D880-Q882 PolarHBondContact O-N 2.97Å; D880-Q882 VanDerWaalsContact O-N 3.11Å
881	I	63.2	Low	82.3	Confident	76 Å²	76	44.6 Å²	44.6	39%	0.39	22%	0.221	S	C	.	.			trans	-76.9	99.9	173.6	-64.1	163.5	0	0	0	109.3	Q877	Q877-I881 HydrophobicContact CG-CD1 3.86Å; Q877-I881 WeakPolarHBondContact O-CG1 3.37Å; Q877-I881 PolarHBondContact O-N 2.84Å
882	Q	60.5	Low	81.9	Confident	44 Å²	44	43.5 Å²	43.5	21%	0.206	22%	0.22	C	C	.	.			trans	-99.8	147.7	163.7	-63.7	-165.1	-14.3	0	0	110.2	P594 P596 D880 L884	P594-Q882 PolarHBondContact O-NE2 3.14Å; P594-Q882 PolarHBondContact O-OE1 3.06Å; P596-Q882 VanDerWaalsContact CD-NE2 3.34Å; P596-Q882 HydrophobicContact CG-CG 4.46Å; D880-Q882 PolarHBondContact O-N 2.97Å; D880-Q882 VanDerWaalsContact O-N 3.11Å; Q882-L884 HydrophobicContact CB-CB 4.44Å; Q882-L884 HydrophobicContact CB-CD1 4.29Å; Q882-L884 HydrophobicContact CB-CG 3.77Å; Q882-L884 PolarHBondContact O-N 2.78Å
883	S	65.6	Low	81.2	Confident	77 Å²	77	45.8 Å²	45.8	54%	0.538	23%	0.231	S	C	.	.	S	Bend	trans	-73.2	42.5	169.5	51.7	0	0	0	0	111.9	Q593	Q593-S883 PolarHBondContact OE1-OG 2.88Å
884	L	76.4	Confident	80.6	Confident	32 Å²	32	47.6 Å²	47.6	17%	0.168	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-90.7	147.5	174.6	-60.7	-173.2	0	0	0	109.7	E587 C590 Q593 I595 Q882	E587-L884 HydrophobicContact CB-CD2 4.25Å; E587-L884 HydrophobicContact CG-CB 4.46Å; E587-L884 HydrophobicContact CG-CD2 3.85Å; E587-L884 HydrophobicContact CG-CG 4.5Å; C590-L884 VanDerWaalsContact SG-CD2 3.56Å; Q593-L884 HydrophobicContact CB-CD2 4.47Å; Q593-L884 HydrophobicContact CG-CD2 4.09Å; I595-L884 HydrophobicContact CB-CD1 4.11Å; I595-L884 HydrophobicContact CG1-CD1 3.82Å; I595-L884 HydrophobicContact CG2-CD1 4Å; Q882-L884 HydrophobicContact CB-CB 4.44Å; Q882-L884 HydrophobicContact CB-CD1 4.29Å; Q882-L884 HydrophobicContact CB-CG 3.77Å; Q882-L884 PolarHBondContact O-N 2.78Å
885	P	81.8	Confident	80.1	Confident	45 Å²	45	46.5 Å²	46.5	29%	0.292	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-60.3	145.7	170.9	-20.3	33.2	0	0	0	111.5	R887	P885-R887 PolarHBondContact O-N 3.44Å
886	F	86.1	Confident	79.3	Confident	29 Å²	29	49.4 Å²	49.4	13%	0.127	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-71	122.4	172.4	-179.6	-99.1	0	0	0	110.9	L420 L439 S491 G888 F890	L420-F886 HydrophobicContact CD1-CD1 4.18Å; L420-F886 HydrophobicContact CD1-CE1 4.27Å; L420-F886 HydrophobicContact CD2-CD1 4.38Å; L420-F886 HydrophobicContact CD2-CE1 3.84Å; L420-F886 HydrophobicContact CD2-CE2 4.15Å; L420-F886 HydrophobicContact CD2-CZ 3.72Å; L420-F886 HydrophobicContact CG-CD1 4.34Å; L420-F886 HydrophobicContact CG-CE1 3.92Å; L420-F886 HydrophobicContact CG-CZ 4.3Å; L439-F886 HydrophobicContact CD1-CD2 3.78Å; L439-F886 HydrophobicContact CD1-CE2 3.84Å; L439-F886 HydrophobicContact CD2-CB 4.2Å; L439-F886 HydrophobicContact CD2-CD2 3.95Å; L439-F886 HydrophobicContact CD2-CG 4.36Å; L439-F886 HydrophobicContact CG-CD2 4.46Å; S491-F886 WeakPolarHBondContact OG-CE2 3.42Å; F886-G888 WeakPolarHBondContact CE1-O 3.36Å; F886-G888 WeakPolarHBondContact CZ-O 3.39Å; F886-F890 HydrophobicContact CE2-CB 4.38Å; F886-F890 HydrophobicContact CE2-CD2 4.37Å; F886-F890 HydrophobicContact CZ-CB 4.11Å
887	R	85.9	Confident	78.5	Confident	77 Å²	77	52.7 Å²	52.7	29%	0.291	27%	0.272	S	S	.	.			trans	-123.3	-12.5	-171.7	-64.8	-57.4	-168	-176.8	-1.3	116.3	A495 L499 A504 E587 P885	A495-R887 HydrophobicContact CB-CB 4.25Å; L499-R887 HydrophobicContact CD1-CB 3.69Å; L499-R887 HydrophobicContact CD1-CG 4.08Å; A504-R887 PolarHBondContact O-NH2 2.91Å; E587-R887 IonicContact OE1-NE 2.71Å; E587-R887 PolarHBondContact OE1-NE 3.25Å; E587-R887 IonicContact OE2-CZ 3.83Å; E587-R887 IonicContact OE2-NE 2.85Å; E587-R887 PolarHBondContact OE2-NE 2.91Å; E587-R887 IonicContact OE2-NH2 3.32Å; E587-R887 PolarHBondContact OE2-NH2 2.9Å; P885-R887 PolarHBondContact O-N 3.44Å
888	G	87.4	Confident	77.9	Confident	15 Å²	15	53.6 Å²	53.6	16%	0.155	28%	0.278	C	S	.	.	S	Bend	trans	-114.5	-156.8	-178.1	0	0	0	0	0	113.7	F886	F886-G888 WeakPolarHBondContact CE1-O 3.36Å; F886-G888 WeakPolarHBondContact CZ-O 3.39Å
889	E	88.3	Confident	77.5	Confident	116 Å²	116	51.7 Å²	51.7	54%	0.542	27%	0.272	S	S	.	.			trans	-97.8	148.1	171.1	-64.9	178.9	169.8	0	0	110.2	S491 S494 I891	S491-E889 WeakPolarHBondContact CA-O 3.16Å; S491-E889 WeakPolarHBondContact CB-O 3.25Å; S494-E889 PolarHBondContact OG-N 3.14Å; E889-I891 HydrophobicContact CB-CG2 3.85Å; E889-I891 PolarHBondContact O-N 3.35Å
890	F	88.2	Confident	77.8	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.018	28%	0.282	C	S	.	.			trans	-90.2	90.8	177.4	-167.2	-91.6	0	0	0	109.4	F376 L420 L439 T442 K443 L446 M488 D489 F886	F376-F890 AromaticContact CD1-CD1 3.9Å; F376-F890 HydrophobicContact CD1-CD1 3.9Å; F376-F890 HydrophobicContact CD1-CE1 4.06Å; F376-F890 AromaticContact CE1-CD1 3.7Å; F376-F890 HydrophobicContact CE1-CD1 3.7Å; F376-F890 HydrophobicContact CE1-CE1 4.11Å; F376-F890 WeakPolarHBondContact CE1-O 3.28Å; L420-F890 HydrophobicContact CD2-CB 4.26Å; L439-F890 HydrophobicContact CD1-CD2 3.68Å; L439-F890 HydrophobicContact CD1-CE2 3.91Å; T442-F890 HydrophobicContact CG2-CD1 3.56Å; T442-F890 HydrophobicContact CG2-CE1 3.46Å; T442-F890 VanDerWaalsContact CG2-CE1 3.46Å; T442-F890 HydrophobicContact CG2-CG 4.24Å; T442-F890 HydrophobicContact CG2-CZ 4.07Å; K443-F890 HydrophobicContact CG-CE2 3.92Å; K443-F890 HydrophobicContact CG-CZ 4.05Å; L446-F890 HydrophobicContact CD2-CE1 3.58Å; L446-F890 HydrophobicContact CD2-CZ 3.91Å; M488-F890 HydrophobicContact CG-CZ 4.13Å; D489-F890 HydrophobicContact CB-CE2 4.49Å; F886-F890 HydrophobicContact CE2-CB 4.38Å; F886-F890 HydrophobicContact CE2-CD2 4.37Å; F886-F890 HydrophobicContact CZ-CB 4.11Å
891	I	86.4	Confident	79.1	Confident	63 Å²	63	52.5 Å²	52.5	32%	0.323	28%	0.277	S	S	.	.			trans	-96.7	0	-168.3	63.5	175.2	0	0	0	115.9	F376 Q377 V490 E889	F376-I891 WeakPolarHBondContact CA-OXT 3.38Å; Q377-I891 PolarHBondContact N-O 3.44Å; Q377-I891 PolarHBondContact N-OXT 2.81Å; V490-I891 HydrophobicContact CG2-CD1 3.97Å; V490-I891 HydrophobicContact CG2-CG1 3.56Å; E889-I891 HydrophobicContact CB-CG2 3.85Å; E889-I891 PolarHBondContact O-N 3.35Å

Retrieved 891 of 891 residues in 608.8 ms (Link to these results)

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