A0A3Q0KP37_SCHMA Loading...

Formin-related

AlphaFold DB , UniProt , Accession A0A3Q0KP37, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 815 aa.

						>A0A3Q0KP37_SCHMA|A0A3Q0KP37
MDKYDLDEITLESDKKWKNIFGKFNISFRKSKINTNLYINENDDKQNTNDRFSKRFNKSFRESKWKTKDYFTSLKCNKEIEEKNKQFSCEKPESCKETNSMNYNPCFQRTSQNRFYSSMYNRKCTTALVQNSKYLFGSQEISPKTKLAQYDVNMELMNKFRRLEIRELEKEPVKRIKESRTSEKCIQTSLIEEQTTSNEEMKDVTSEPSPSSQYSSGYVSEVTNLLSSPNSLGTPEVVEKNNESFVSTPNKHHDVELLTTPINKSNQPFDNGCFKIPPPPPPPPPPPPPPMFRPLTSASNSLAPTVPESPMPYNMKPKRTFSAPYRLKKVCVSPLSKSRLKENSVWVYIDDSDLLSEEFVRQLHKRFRIKGNKAMSSDKLEIDCGNTVTSLFNTLGSKTNQDPQLSVHSSTNMSIRRSMRFGSQSLASRTQTLDLLPVKAAQSIAIAMASAHLNPEDVARSIIELKTTVNLRRSKSFPNENTKHKSEDKSSFLTSTTLFQPIPDTLLDTLINFIPPMDIILKLSESQLETSNLIEAEKLLYMISQLRHRLPAHLHALRMLIQFDTTVDQLKQALSSACKCLSEIRHSNSLCHVLSCALALVNALNATRQCSVYESSQLPSDHSGLTASQGFVKRKPFLGFEVRNLVRLADTRDITNQRNLIHYLVELMELNFTKEAHSWFNEMPTLDAAQSLYCAKTIEEKLVETKRDVARLEIDLRGVGGVANSNNAEWVIKSNSDPKSDAFKANLSFGLVVGQFLAHAMQELKLLSELHKTFTERYNEVANYLALDQAKYTADELFNDLKTFRELYRKACTSK
					

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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	31.4	Very low	30	Very low	224 Å²	224	163.9 Å²	163.9	100%	1.103	82%	0.818	S	S	*	*				0	77.3	0	-62.7	-173.4	-177.3	0	0	106.6
2	D	28.1	Very low	30.2	Very low	140 Å²	140	161.7 Å²	161.7	75%	0.749	80%	0.803	S	S	*	*				73.4	133.8	59.6	-61.3	-70.8	0	0	0	110.8
3	K	26.9	Very low	30.5	Very low	157 Å²	157	155.8 Å²	155.8	68%	0.683	79%	0.787	S	S	*	*			cis	-165.1	-148.4	-12.3	-153.6	169.8	178.4	179.9	0	105.9
4	Y	33	Very low	30.7	Very low	204 Å²	204	151.9 Å²	151.9	80%	0.8	77%	0.77	S	S	*	*			trans	70.4	90.4	173.6	-51.4	-70.6	0	0	0	113.2
5	D	33.7	Very low	31.2	Very low	131 Å²	131	151.7 Å²	151.7	70%	0.701	76%	0.761	S	S	*	*				76.6	117.8	64.9	-59.6	-49.6	0	0	0	112.5
6	L	26.6	Very low	31.5	Very low	161 Å²	161	152.8 Å²	152.8	84%	0.843	76%	0.76	S	S	*	*			trans	-86.9	135.5	163.1	-64.4	85.1	0	0	0	108
7	D	27.6	Very low	31.6	Very low	166 Å²	166	152.9 Å²	152.9	89%	0.888	75%	0.75	S	S	*	*			trans	173.2	69.5	139	-93.1	-17.2	0	0	0	112.5
8	E	29.8	Very low	31.9	Very low	191 Å²	191	152.5 Å²	152.5	89%	0.893	74%	0.743	S	S	*	*			trans	-149.7	51.1	169.9	-149.2	177.7	-156.6	0	0	116.7
9	I	29	Very low	32.3	Very low	163 Å²	163	152.9 Å²	152.9	84%	0.836	75%	0.749	S	S	*	*			trans	-133.6	90.5	153.7	-54.1	-178.3	0	0	0	110.4
10	T	30.9	Very low	32.6	Very low	122 Å²	122	151.2 Å²	151.2	75%	0.748	74%	0.742	S	S	*	*			trans	-130.3	176	162.8	60	0	0	0	0	111.2	E12	T10-E12 PolarHBondContact O-N 3.1Å; T10-E12 VanDerWaalsContact O-N 3.07Å
11	L	33.2	Very low	32.7	Very low	144 Å²	144	150.3 Å²	150.3	75%	0.754	74%	0.735	S	S	*	*	S	Bend	trans	71	-42.1	172.3	-94.7	66.5	0	0	0	120.8	S13	L11-S13 PolarHBondContact O-N 3.47Å
12	E	32.9	Very low	32.9	Very low	137 Å²	137	143 Å²	143	64%	0.64	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-21.8	-166.8	-151.6	52	-137.2	0	0	115	T10	T10-E12 PolarHBondContact O-N 3.1Å; T10-E12 VanDerWaalsContact O-N 3.07Å
13	S	34.2	Very low	33.3	Very low	85 Å²	85	145.7 Å²	145.7	59%	0.594	72%	0.722	S	S	*	*	H	α-helix	trans	-67.9	-36.4	179.7	-57.5	0	0	0	0	114.3	L11 K15 K16	L11-S13 PolarHBondContact O-N 3.47Å; S13-K15 PolarHBondContact O-N 3.44Å; S13-K16 PolarHBondContact O-N 2.86Å
14	D	32.1	Very low	33.5	Very low	102 Å²	102	145.8 Å²	145.8	55%	0.545	72%	0.722	S	S	.	*	H	α-helix	trans	-78.5	-18.6	-164.4	-164.4	60.7	0	0	0	114.1	K18	D14-K18 IonicContact OD2-NZ 2.79Å; D14-K18 PolarHBondContact OD2-NZ 2.9Å; D14-K18 VanDerWaalsContact OD2-NZ 3.1Å
15	K	38.4	Very low	33.1	Very low	148 Å²	148	143.9 Å²	143.9	64%	0.643	73%	0.726	S	S	*	*	H	α-helix	trans	-75.4	-33.6	174.1	-71.1	173.6	-175.2	161.5	0	112.3	S13	S13-K15 PolarHBondContact O-N 3.44Å
16	K	36.4	Very low	33	Very low	169 Å²	169	143.9 Å²	143.9	74%	0.735	73%	0.725	S	S	*	*	H	α-helix	trans	-72.9	-32.2	-173.2	-156	167.3	-172.9	172.1	0	113.1	S13	S13-K16 PolarHBondContact O-N 2.86Å
17	W	32.7	Very low	33	Very low	156 Å²	156	141.4 Å²	141.4	59%	0.591	72%	0.72	S	S	*	*	H	α-helix	trans	-73.3	-28	-179.5	-75.9	104.3	0	0	0	114.4	N19 I20 F21	W17-N19 VanDerWaalsContact C-N 3.34Å; W17-N19 PolarHBondContact O-N 2.79Å; W17-I20 PolarHBondContact O-N 2.71Å; W17-F21 HydrophobicContact CE3-CD2 4.14Å; W17-F21 AromaticContact CE3-CE2 3.72Å; W17-F21 HydrophobicContact CE3-CE2 3.72Å; W17-F21 AromaticContact CZ3-CE2 3.95Å; W17-F21 HydrophobicContact CZ3-CE2 3.95Å; W17-F21 PolarHBondContact O-N 2.84Å
18	K	37.1	Very low	33	Very low	145 Å²	145	143 Å²	143	63%	0.63	72%	0.72	S	S	*	*	H	α-helix	trans	-66.1	-31.2	-178.4	-80.3	170.1	178.4	143.2	0	113.7	D14 I20	D14-K18 IonicContact OD2-NZ 2.79Å; D14-K18 PolarHBondContact OD2-NZ 2.9Å; D14-K18 VanDerWaalsContact OD2-NZ 3.1Å; K18-I20 VanDerWaalsContact C-N 3.34Å
19	N	38.8	Very low	32.9	Very low	161 Å²	161	145.1 Å²	145.1	86%	0.861	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-14.4	176.3	-106.5	4.1	0	0	0	114.2	W17	W17-N19 VanDerWaalsContact C-N 3.34Å; W17-N19 PolarHBondContact O-N 2.79Å
20	I	39.1	Very low	32.7	Very low	118 Å²	118	147.3 Å²	147.3	61%	0.605	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-34.3	179.2	-61.8	176.2	0	0	0	110.9	W17 K18 G22	W17-I20 PolarHBondContact O-N 2.71Å; K18-I20 VanDerWaalsContact C-N 3.34Å; I20-G22 PolarHBondContact O-N 3.05Å
21	F	35.1	Very low	32.6	Very low	133 Å²	133	146.4 Å²	146.4	58%	0.583	72%	0.722	S	S	*	*	S	Bend	trans	-86.9	2.9	-177.2	-85.8	-80.2	0	0	0	115.8	W17 K23 F24	W17-F21 HydrophobicContact CE3-CD2 4.14Å; W17-F21 AromaticContact CE3-CE2 3.72Å; W17-F21 HydrophobicContact CE3-CE2 3.72Å; W17-F21 AromaticContact CZ3-CE2 3.95Å; W17-F21 HydrophobicContact CZ3-CE2 3.95Å; W17-F21 PolarHBondContact O-N 2.84Å; F21-K23 PolarHBondContact O-N 3.06Å; F21-F24 PolarHBondContact O-N 3.31Å
22	G	34.8	Very low	32.5	Very low	70 Å²	70	149.6 Å²	149.6	72%	0.722	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	5.9	-176.7	0	0	0	0	0	117.5	I20	I20-G22 PolarHBondContact O-N 3.05Å
23	K	37.5	Very low	32.3	Very low	197 Å²	197	150.4 Å²	150.4	86%	0.857	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	-2.2	176.9	-73.2	-171.8	174.7	-177.3	0	115.4	F21	F21-K23 PolarHBondContact O-N 3.06Å
24	F	29.7	Very low	32	Very low	159 Å²	159	153.7 Å²	153.7	70%	0.697	75%	0.748	S	S	*	*			trans	-119.2	96.4	179.9	-84.6	-82.1	0	0	0	112.9	F21 I26	F21-F24 PolarHBondContact O-N 3.31Å; F24-I26 PolarHBondContact O-N 3.44Å; F24-I26 VanDerWaalsContact O-N 3.15Å
25	N	26.2	Very low	31.7	Very low	163 Å²	163	154.1 Å²	154.1	87%	0.872	75%	0.754	S	S	*	*			trans	-84.3	83	-178.6	-168.9	0.7	0	0	0	112
26	I	30.4	Very low	31.2	Very low	132 Å²	132	154.1 Å²	154.1	68%	0.677	76%	0.761	S	S	*	*			trans	-133.4	114.1	170.9	-58	-179.7	0	0	0	109.2	F24 F28	F24-I26 PolarHBondContact O-N 3.44Å; F24-I26 VanDerWaalsContact O-N 3.15Å; I26-F28 PolarHBondContact O-N 3.14Å
27	S	26.9	Very low	30.9	Very low	108 Å²	108	153.8 Å²	153.8	76%	0.755	77%	0.767	S	S	*	*			trans	-84.6	111.8	-176	57.4	0	0	0	0	113.2	R29	S27-R29 PolarHBondContact O-N 3.05Å
28	F	27.4	Very low	30.5	Very low	199 Å²	199	156.3 Å²	156.3	87%	0.873	78%	0.777	S	S	*	*			trans	-82.4	93.6	167	-93.8	-89.9	0	0	0	111.1	I26 K30	I26-F28 PolarHBondContact O-N 3.14Å; F28-K30 PolarHBondContact O-N 3.19Å
29	R	27.2	Very low	30.2	Very low	237 Å²	237	157.5 Å²	157.5	89%	0.894	79%	0.789	S	S	*	*			trans	-74.5	109.9	163.9	-89.6	-170.1	171.9	-168	-1.8	109.9	S27 S31	S27-R29 PolarHBondContact O-N 3.05Å; R29-S31 PolarHBondContact O-N 3.18Å
30	K	26.5	Very low	29.6	Very low	209 Å²	209	155.9 Å²	155.9	91%	0.909	78%	0.78	S	S	*	*			trans	-66.8	121	162.6	-68.5	179	178	177.4	0	109	F28	F28-K30 PolarHBondContact O-N 3.19Å
31	S	28.8	Very low	29.2	Very low	103 Å²	103	159.1 Å²	159.1	72%	0.72	79%	0.793	S	S	*	*			trans	-104.7	112.6	168.7	45.6	0	0	0	0	110.7	R29 I33	R29-S31 PolarHBondContact O-N 3.18Å; S31-I33 PolarHBondContact O-N 3.22Å
32	K	29.5	Very low	29	Very low	210 Å²	210	159.1 Å²	159.1	91%	0.913	80%	0.799	S	S	*	*			trans	-74.8	113.2	158.8	-74.4	-178.6	175.5	-179.8	0	107.2	N34	K32-N34 PolarHBondContact O-N 3.19Å
33	I	29.5	Very low	28.8	Very low	154 Å²	154	162.6 Å²	162.6	79%	0.79	80%	0.801	S	S	*	*			trans	-85.2	104.8	167.5	-61	178.2	0	0	0	107.1	S31 T35	S31-I33 PolarHBondContact O-N 3.22Å; I33-T35 HydrophobicContact CG2-CG2 4.11Å
34	N	28.2	Very low	28.5	Very low	155 Å²	155	159.9 Å²	159.9	83%	0.829	80%	0.796	S	S	*	*			trans	-113.8	114.8	167.9	-163.6	12.7	0	0	0	107.1	K32	K32-N34 PolarHBondContact O-N 3.19Å
35	T	25.5	Very low	28.7	Very low	110 Å²	110	161.7 Å²	161.7	68%	0.675	80%	0.803	S	S	*	*			trans	-86.3	118.5	-170	49.7	0	0	0	0	111.6	I33	I33-T35 HydrophobicContact CG2-CG2 4.11Å
36	N	28.8	Very low	29	Very low	149 Å²	149	163.2 Å²	163.2	80%	0.797	81%	0.805	S	S	*	*			trans	-156.2	132.2	151.1	-99.6	-34.1	0	0	0	112
37	L	29.2	Very low	29.1	Very low	162 Å²	162	162.4 Å²	162.4	85%	0.848	80%	0.802	S	S	*	*			trans	49.8	115.1	150.9	-60.1	169.3	0	0	0	119.7
38	Y	24.2	Very low	29.6	Very low	208 Å²	208	162.3 Å²	162.3	82%	0.816	80%	0.797	S	S	*	*			trans	-58.7	142.9	154.7	-91.9	-112.8	0	0	0	111.4
39	I	30.9	Very low	30	Very low	170 Å²	170	159.2 Å²	159.2	87%	0.872	79%	0.79	S	S	*	*				-145	149.8	128.7	-97.5	154.3	0	0	0	105.9
40	N	26.1	Very low	30.5	Very low	127 Å²	127	152.2 Å²	152.2	68%	0.679	77%	0.77	S	S	*	*			trans	-82.5	142.9	-173.5	-61.4	-34.3	0	0	0	111.9
41	E	31.6	Very low	31	Very low	187 Å²	187	150.1 Å²	150.1	87%	0.874	76%	0.757	S	S	*	*			trans	-153.1	107.2	143.3	-123.1	164.9	-147.1	0	0	111.3
42	N	31.3	Very low	31.2	Very low	132 Å²	132	152.5 Å²	152.5	71%	0.706	75%	0.754	S	S	*	*			trans	41.6	118.6	144.8	-58.1	-0.5	0	0	0	122.3
43	D	30.5	Very low	31.4	Very low	144 Å²	144	145.9 Å²	145.9	77%	0.77	73%	0.734	S	S	*	*			trans	80.1	146.4	132.6	-54.4	-27.7	0	0	0	123.7
44	D	30.4	Very low	31.8	Very low	139 Å²	139	144.8 Å²	144.8	74%	0.743	72%	0.724	S	S	*	*	S	Bend	trans	46.7	73.3	163.3	-73.1	-15.5	0	0	0	119.6
45	K	33.9	Very low	32	Very low	197 Å²	197	146.8 Å²	146.8	86%	0.857	72%	0.72	S	S	*	*			trans	-171.1	47.9	140.6	-99.2	148.4	-140.2	91.7	0	116
46	Q	32.4	Very low	32.3	Very low	196 Å²	196	147.6 Å²	147.6	92%	0.916	71%	0.714	S	S	*	*			trans	-126.2	75.7	175	-72.8	-166.5	-1.2	0	0	115.4
47	N	33.2	Very low	32.6	Very low	114 Å²	114	145.1 Å²	145.1	61%	0.61	70%	0.701	S	S	*	*	S	Bend	trans	-149.6	6.2	165.1	-142.4	-33.6	0	0	0	115.5
48	T	36.6	Very low	32.9	Very low	107 Å²	107	143.6 Å²	143.6	66%	0.656	69%	0.687	S	S	*	*	S	Bend	trans	-106.6	-51.5	-173.4	49.4	0	0	0	0	113.6	D50 R51 F52	T48-D50 PolarHBondContact O-N 3.5Å; T48-R51 PolarHBondContact O-N 2.92Å; T48-F52 PolarHBondContact O-N 3.4Å
49	N	36.8	Very low	33.2	Very low	134 Å²	134	136.7 Å²	136.7	72%	0.717	67%	0.669	S	S	*	*	H	α-helix	trans	-65.5	-39.4	-177.1	-82.9	-23.4	0	0	0	113.4	R51 F52 S53	N49-R51 PolarHBondContact O-N 3.29Å; N49-F52 PolarHBondContact O-N 3.14Å; N49-S53 PolarHBondContact O-N 2.88Å
50	D	36.8	Very low	33.2	Very low	89 Å²	89	135.4 Å²	135.4	48%	0.476	66%	0.658	S	S	.	*	H	α-helix	trans	-69.4	-33.1	179.7	-173.8	43.3	0	0	0	112.1	T48 F52 S53 K54	T48-D50 PolarHBondContact O-N 3.5Å; D50-F52 VanDerWaalsContact C-N 3.28Å; D50-F52 PolarHBondContact O-N 3.38Å; D50-S53 PolarHBondContact O-N 2.88Å; D50-K54 VanDerWaalsContact O-CB 3.23Å; D50-K54 WeakPolarHBondContact O-CB 3.31Å; D50-K54 WeakPolarHBondContact O-CG 3.27Å; D50-K54 PolarHBondContact O-N 3.09Å; D50-K54 WeakPolarHBondContact OD1-CD 3.18Å; D50-K54 WeakPolarHBondContact OD1-CE 3.39Å; D50-K54 IonicContact OD1-NZ 3.26Å; D50-K54 PolarHBondContact OD1-NZ 3.3Å; D50-K54 WeakPolarHBondContact OD2-CD 3.24Å; D50-K54 VanDerWaalsContact OD2-CE 3.25Å; D50-K54 WeakPolarHBondContact OD2-CE 3.34Å; D50-K54 IonicContact OD2-NZ 3.97Å; D50-K54 PolarHBondContact OD2-NZ 3.06Å
51	R	35.9	Very low	33.6	Very low	166 Å²	166	138.8 Å²	138.8	63%	0.626	66%	0.661	S	S	*	*	H	α-helix	trans	-61	-36.1	167.8	-79.4	-175.1	177.6	-168.2	-1.5	112	T48 N49 R55	T48-R51 PolarHBondContact O-N 2.92Å; N49-R51 PolarHBondContact O-N 3.29Å; R51-R55 WeakPolarHBondContact O-CB 3.44Å; R51-R55 VanDerWaalsContact O-CG 3.32Å; R51-R55 WeakPolarHBondContact O-CG 3.42Å; R51-R55 PolarHBondContact O-N 3.3Å
52	F	33.4	Very low	33.7	Very low	153 Å²	153	134.6 Å²	134.6	67%	0.671	64%	0.641	S	S	*	*	H	α-helix	trans	-73.3	-46.6	178.3	-145.8	-84.9	0	0	0	111.8	T48 N49 D50 K54 R55 F56	T48-F52 PolarHBondContact O-N 3.4Å; N49-F52 PolarHBondContact O-N 3.14Å; D50-F52 VanDerWaalsContact C-N 3.28Å; D50-F52 PolarHBondContact O-N 3.38Å; F52-K54 PolarHBondContact O-N 2.78Å; F52-R55 PolarHBondContact O-N 3.22Å; F52-F56 VanDerWaalsContact O-CB 3.29Å; F52-F56 WeakPolarHBondContact O-CB 3.44Å; F52-F56 PolarHBondContact O-N 3Å
53	S	34.9	Very low	33.7	Very low	70 Å²	70	132.7 Å²	132.7	49%	0.49	64%	0.638	S	S	.	*	H	α-helix	trans	-62.8	-39.1	175.4	-73.1	0	0	0	0	112.8	N49 D50 N57	N49-S53 PolarHBondContact O-N 2.88Å; D50-S53 PolarHBondContact O-N 2.88Å; S53-N57 WeakPolarHBondContact O-CB 3.47Å; S53-N57 PolarHBondContact O-N 2.69Å; S53-N57 PolarHBondContact O-ND2 3.32Å
54	K	36.3	Very low	33.8	Very low	132 Å²	132	133.6 Å²	133.6	57%	0.574	64%	0.635	S	S	*	*	H	α-helix	trans	-73.1	-38	175.4	-71.3	172.4	176.9	165.1	0	112.4	D50 F52 K58	D50-K54 VanDerWaalsContact O-CB 3.23Å; D50-K54 WeakPolarHBondContact O-CB 3.31Å; D50-K54 WeakPolarHBondContact O-CG 3.27Å; D50-K54 PolarHBondContact O-N 3.09Å; D50-K54 WeakPolarHBondContact OD1-CD 3.18Å; D50-K54 WeakPolarHBondContact OD1-CE 3.39Å; D50-K54 IonicContact OD1-NZ 3.26Å; D50-K54 PolarHBondContact OD1-NZ 3.3Å; D50-K54 WeakPolarHBondContact OD2-CD 3.24Å; D50-K54 VanDerWaalsContact OD2-CE 3.25Å; D50-K54 WeakPolarHBondContact OD2-CE 3.34Å; D50-K54 IonicContact OD2-NZ 3.97Å; D50-K54 PolarHBondContact OD2-NZ 3.06Å; F52-K54 PolarHBondContact O-N 2.78Å; K54-K58 WeakPolarHBondContact O-CB 3.38Å; K54-K58 PolarHBondContact O-N 2.7Å
55	R	33.7	Very low	33.7	Very low	196 Å²	196	135.6 Å²	135.6	74%	0.74	63%	0.633	S	S	*	*	H	α-helix	trans	-66.4	-38.1	170.9	-81.7	-176.3	170.5	-176.4	-3	112.6	R51 F52 S59	R51-R55 WeakPolarHBondContact O-CB 3.44Å; R51-R55 VanDerWaalsContact O-CG 3.32Å; R51-R55 WeakPolarHBondContact O-CG 3.42Å; R51-R55 PolarHBondContact O-N 3.3Å; F52-R55 PolarHBondContact O-N 3.22Å; R55-S59 WeakPolarHBondContact O-CB 3.37Å; R55-S59 PolarHBondContact O-N 3.06Å
56	F	31.3	Very low	33.5	Very low	128 Å²	128	133.8 Å²	133.8	56%	0.561	63%	0.625	S	S	*	*	H	α-helix	trans	-68.2	-47	178.2	-165.9	-96.2	0	0	0	111.1	F52 K58 S59 F60	F52-F56 VanDerWaalsContact O-CB 3.29Å; F52-F56 WeakPolarHBondContact O-CB 3.44Å; F52-F56 PolarHBondContact O-N 3Å; F56-K58 PolarHBondContact O-N 2.67Å; F56-S59 PolarHBondContact O-N 3.34Å; F56-F60 VanDerWaalsContact O-CB 3.24Å; F56-F60 WeakPolarHBondContact O-CB 3.43Å; F56-F60 PolarHBondContact O-N 3.34Å
57	N	34.5	Very low	33.3	Very low	97 Å²	97	129.7 Å²	129.7	52%	0.519	61%	0.613	S	S	.	*	H	α-helix	trans	-67.2	-34.5	174.8	-80	-81.9	0	0	0	113.2	S53 R61	S53-N57 WeakPolarHBondContact O-CB 3.47Å; S53-N57 PolarHBondContact O-N 2.69Å; S53-N57 PolarHBondContact O-ND2 3.32Å; N57-R61 WeakPolarHBondContact O-CB 3.34Å; N57-R61 WeakPolarHBondContact O-CG 3.48Å; N57-R61 PolarHBondContact O-N 2.88Å
58	K	35.1	Very low	33.2	Very low	129 Å²	129	131.1 Å²	131.1	56%	0.561	61%	0.614	S	S	*	*	H	α-helix	trans	-65.7	-50.8	173.5	-178.4	165.3	177.1	173.4	0	110.7	K54 F56 F60 R61 E62	K54-K58 WeakPolarHBondContact O-CB 3.38Å; K54-K58 PolarHBondContact O-N 2.7Å; F56-K58 PolarHBondContact O-N 2.67Å; K58-F60 PolarHBondContact O-N 2.84Å; K58-R61 PolarHBondContact O-N 3.09Å; K58-R61 VanDerWaalsContact O-N 3.15Å; K58-E62 WeakPolarHBondContact CE-OE1 3.33Å; K58-E62 HydrophobicContact CG-CG 4.24Å; K58-E62 IonicContact NZ-OE1 3.81Å; K58-E62 WeakPolarHBondContact O-CB 3.33Å; K58-E62 VanDerWaalsContact O-CG 3.3Å; K58-E62 WeakPolarHBondContact O-CG 3.27Å; K58-E62 PolarHBondContact O-N 3.15Å
59	S	31.5	Very low	32.9	Very low	63 Å²	63	131.5 Å²	131.5	44%	0.441	61%	0.612	S	S	.	*	H	α-helix	trans	-58.4	-44	175.2	-171.6	0	0	0	0	112.2	R55 F56 R61 E62 S63	R55-S59 WeakPolarHBondContact O-CB 3.37Å; R55-S59 PolarHBondContact O-N 3.06Å; F56-S59 PolarHBondContact O-N 3.34Å; S59-R61 VanDerWaalsContact C-N 3.3Å; S59-R61 PolarHBondContact O-N 3.41Å; S59-E62 PolarHBondContact O-N 2.99Å; S59-S63 WeakPolarHBondContact O-CB 3.46Å; S59-S63 PolarHBondContact O-N 2.85Å; S59-S63 PolarHBondContact O-OG 2.63Å; S59-S63 VanDerWaalsContact O-OG 3.11Å
60	F	31.8	Very low	32.6	Very low	143 Å²	143	134.6 Å²	134.6	63%	0.627	62%	0.615	S	S	*	*	H	α-helix	trans	-68.6	-24.8	178.7	-159	-101.3	0	0	0	113.5	F56 K58	F56-F60 VanDerWaalsContact O-CB 3.24Å; F56-F60 WeakPolarHBondContact O-CB 3.43Å; F56-F60 PolarHBondContact O-N 3.34Å; K58-F60 PolarHBondContact O-N 2.84Å
61	R	34.2	Very low	32.3	Very low	199 Å²	199	136.4 Å²	136.4	75%	0.751	62%	0.619	S	S	*	*	H	α-helix	trans	-82.4	-37.2	169.1	-75	-174.1	176.4	-149.5	-0.2	112.7	N57 K58 S59 K64	N57-R61 WeakPolarHBondContact O-CB 3.34Å; N57-R61 WeakPolarHBondContact O-CG 3.48Å; N57-R61 PolarHBondContact O-N 2.88Å; K58-R61 PolarHBondContact O-N 3.09Å; K58-R61 VanDerWaalsContact O-N 3.15Å; S59-R61 VanDerWaalsContact C-N 3.3Å; S59-R61 PolarHBondContact O-N 3.41Å; R61-K64 WeakPolarHBondContact O-CB 3.48Å; R61-K64 PolarHBondContact O-N 3.15Å
62	E	33.6	Very low	32.1	Very low	98 Å²	98	133.3 Å²	133.3	46%	0.458	62%	0.619	S	S	.	*	H	α-helix	trans	-71.7	-37.6	179.4	-73.7	174.3	156.7	0	0	112.4	K58 S59 K64 W65	K58-E62 WeakPolarHBondContact CE-OE1 3.33Å; K58-E62 HydrophobicContact CG-CG 4.24Å; K58-E62 IonicContact NZ-OE1 3.81Å; K58-E62 WeakPolarHBondContact O-CB 3.33Å; K58-E62 VanDerWaalsContact O-CG 3.3Å; K58-E62 WeakPolarHBondContact O-CG 3.27Å; K58-E62 PolarHBondContact O-N 3.15Å; S59-E62 PolarHBondContact O-N 2.99Å; E62-K64 PolarHBondContact O-N 2.83Å; E62-K64 VanDerWaalsContact O-N 3.09Å; E62-W65 PolarHBondContact O-N 3.22Å; E62-W65 VanDerWaalsContact O-N 3.17Å
63	S	31.2	Very low	32	Very low	92 Å²	92	130.6 Å²	130.6	64%	0.643	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-16.1	169.7	-69.5	0	0	0	0	113.4	S59	S59-S63 WeakPolarHBondContact O-CB 3.46Å; S59-S63 PolarHBondContact O-N 2.85Å; S59-S63 PolarHBondContact O-OG 2.63Å; S59-S63 VanDerWaalsContact O-OG 3.11Å
64	K	32	Very low	31.8	Very low	163 Å²	163	132.5 Å²	132.5	71%	0.709	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	2	178.8	-130.2	176.6	-175	-179.6	0	114.7	R61 E62	R61-K64 WeakPolarHBondContact O-CB 3.48Å; R61-K64 PolarHBondContact O-N 3.15Å; E62-K64 PolarHBondContact O-N 2.83Å; E62-K64 VanDerWaalsContact O-N 3.09Å
65	W	28.7	Very low	31.5	Very low	181 Å²	181	134.4 Å²	134.4	69%	0.686	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135	-6.6	-174.6	-78.7	99.1	0	0	0	117.3	E62 T67	E62-W65 PolarHBondContact O-N 3.22Å; E62-W65 VanDerWaalsContact O-N 3.17Å; W65-T67 VanDerWaalsContact C-N 3.25Å; W65-T67 PolarHBondContact O-N 3.33Å
66	K	28.7	Very low	31.3	Very low	159 Å²	159	127.9 Å²	127.9	69%	0.691	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-75.9	-0.8	179.1	-77	-164.8	170.8	-171.6	0	116	K68	K66-K68 PolarHBondContact O-N 3.43Å
67	T	29.8	Very low	31.4	Very low	110 Å²	110	126.2 Å²	126.2	68%	0.675	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-74.8	0.9	173.5	-8.9	0	0	0	0	113.9	W65	W65-T67 VanDerWaalsContact C-N 3.25Å; W65-T67 PolarHBondContact O-N 3.33Å
68	K	30	Very low	31.5	Very low	145 Å²	145	129 Å²	129	63%	0.63	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-89.9	-29.5	-177	-145.8	172.2	-174	-179.1	0	113.5	K66 F71	K66-K68 PolarHBondContact O-N 3.43Å; K68-F71 PolarHBondContact O-N 3.25Å
69	D	31.5	Very low	31.4	Very low	115 Å²	115	128.4 Å²	128.4	62%	0.615	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-15	-172.3	-52	-42.8	0	0	0	113.5	F71 T72	D69-F71 VanDerWaalsContact C-N 3.3Å; D69-T72 PolarHBondContact O-OG1 3.01Å
70	Y	29.8	Very low	31.7	Very low	199 Å²	199	129.6 Å²	129.6	78%	0.78	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-9.3	167.1	-90.8	-89.7	0	0	0	113.2
71	F	31.1	Very low	31.8	Very low	126 Å²	126	129.8 Å²	129.8	55%	0.553	62%	0.622	S	S	*	*	S	Bend	trans	-85.7	-12.8	-178.9	-107.4	-85.4	0	0	0	114.4	K68 D69	K68-F71 PolarHBondContact O-N 3.25Å; D69-F71 VanDerWaalsContact C-N 3.3Å
72	T	30.2	Very low	31.9	Very low	101 Å²	101	126.5 Å²	126.5	62%	0.62	62%	0.615	S	S	*	*	S	Bend	trans	-72.9	-30.1	174.6	38.8	0	0	0	0	112.7	D69 L74 K75	D69-T72 PolarHBondContact O-OG1 3.01Å; T72-L74 PolarHBondContact O-N 3.39Å; T72-K75 VanDerWaalsContact O-CB 3.24Å; T72-K75 WeakPolarHBondContact O-CB 3.37Å; T72-K75 PolarHBondContact O-N 2.89Å; T72-K75 VanDerWaalsContact O-N 3.14Å
73	S	31.4	Very low	32	Very low	96 Å²	96	129.2 Å²	129.2	67%	0.671	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-68.1	-30.6	177.3	-176	0	0	0	0	113.1	K75	S73-K75 PolarHBondContact O-N 3.1Å
74	L	30.7	Very low	32.2	Very low	110 Å²	110	130.9 Å²	130.9	58%	0.576	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-73.9	-4.9	172.8	-86.4	96.2	0	0	0	114.2	T72 C76	T72-L74 PolarHBondContact O-N 3.39Å; L74-C76 VanDerWaalsContact C-N 3.3Å; L74-C76 PolarHBondContact O-N 3.41Å
75	K	31.8	Very low	32.4	Very low	172 Å²	172	131.4 Å²	131.4	75%	0.748	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-76.6	-15.7	-177.5	-152.2	178.2	-179.4	-169.7	0	113.5	T72 S73 N77	T72-K75 VanDerWaalsContact O-CB 3.24Å; T72-K75 WeakPolarHBondContact O-CB 3.37Å; T72-K75 PolarHBondContact O-N 2.89Å; T72-K75 VanDerWaalsContact O-N 3.14Å; S73-K75 PolarHBondContact O-N 3.1Å; K75-N77 PolarHBondContact O-N 3.48Å
76	C	29.4	Very low	32.6	Very low	60 Å²	60	130.6 Å²	130.6	41%	0.405	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-66.5	-20.2	178.9	-164.9	0	0	0	0	113.5	L74 K78 E79	L74-C76 VanDerWaalsContact C-N 3.3Å; L74-C76 PolarHBondContact O-N 3.41Å; C76-K78 PolarHBondContact O-N 3.46Å; C76-E79 PolarHBondContact O-N 2.99Å
77	N	32.4	Very low	32.6	Very low	93 Å²	93	132.8 Å²	132.8	50%	0.497	64%	0.643	S	S	.	*	G	3₁₀ helix	trans	-68.3	-6.7	-175.7	-71.9	-3.9	0	0	0	115.4	K75	K75-N77 PolarHBondContact O-N 3.48Å
78	K	35.7	Very low	32.3	Very low	155 Å²	155	132.8 Å²	132.8	67%	0.674	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-86.8	-37.6	169.4	-92.4	-160.9	163.1	-153.5	0	113.7	C76 I80 E81 E82	C76-K78 PolarHBondContact O-N 3.46Å; K78-I80 PolarHBondContact O-N 3.15Å; K78-E81 PolarHBondContact O-N 3.21Å; K78-E82 PolarHBondContact O-N 3.32Å
79	E	34.1	Very low	32.1	Very low	116 Å²	116	132 Å²	132	54%	0.542	66%	0.659	S	S	.	*	H	α-helix	trans	-70.4	-25.8	-178.7	-62	177.2	133	0	0	112	C76 K83	C76-E79 PolarHBondContact O-N 2.99Å; E79-K83 WeakPolarHBondContact O-CB 3.24Å; E79-K83 WeakPolarHBondContact O-CG 3.49Å; E79-K83 PolarHBondContact O-N 3.18Å
80	I	37.2	Very low	32	Very low	89 Å²	89	136.1 Å²	136.1	46%	0.456	68%	0.675	S	S	.	*	H	α-helix	trans	-74	-29.2	175.3	-62.4	171.7	0	0	0	111.4	K78 N84	K78-I80 PolarHBondContact O-N 3.15Å; I80-N84 PolarHBondContact O-ND2 2.91Å
81	E	34.2	Very low	32	Very low	147 Å²	147	134.5 Å²	134.5	69%	0.687	67%	0.672	S	S	*	*	H	α-helix	trans	-83.8	-23.3	178.9	-156.7	168.3	-145.1	0	0	112.4	K78	K78-E81 PolarHBondContact O-N 3.21Å
82	E	36.4	Very low	31.9	Very low	129 Å²	129	134.3 Å²	134.3	60%	0.603	68%	0.683	S	S	*	*	H	α-helix	trans	-85.4	-39.3	173.9	-71.6	173.7	161.1	0	0	112.3	K78 N84 K85	K78-E82 PolarHBondContact O-N 3.32Å; E82-N84 PolarHBondContact O-N 3.05Å; E82-K85 PolarHBondContact O-N 3.38Å; E82-K85 VanDerWaalsContact O-N 3.15Å
83	K	36.6	Very low	31.9	Very low	155 Å²	155	136.4 Å²	136.4	67%	0.674	69%	0.686	S	S	*	*	H	α-helix	trans	-65.9	-22.6	176.4	-76.3	178.8	177.6	176.1	0	114.3	E79 K85 Q86	E79-K83 WeakPolarHBondContact O-CB 3.24Å; E79-K83 WeakPolarHBondContact O-CG 3.49Å; E79-K83 PolarHBondContact O-N 3.18Å; K83-K85 PolarHBondContact O-N 3.43Å; K83-Q86 PolarHBondContact O-N 2.85Å
84	N	35.1	Very low	31.9	Very low	128 Å²	128	137.2 Å²	137.2	68%	0.684	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	9.4	174.1	-81.3	-62.9	0	0	0	114.4	I80 E82	I80-N84 PolarHBondContact O-ND2 2.91Å; E82-N84 PolarHBondContact O-N 3.05Å
85	K	36.2	Very low	31.9	Very low	173 Å²	173	136.5 Å²	136.5	75%	0.752	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	1.9	170.5	-66	-178.4	-174.6	175.3	0	114.2	E82 K83	E82-K85 PolarHBondContact O-N 3.38Å; E82-K85 VanDerWaalsContact O-N 3.15Å; K83-K85 PolarHBondContact O-N 3.43Å
86	Q	32.3	Very low	31.9	Very low	164 Å²	164	135.5 Å²	135.5	77%	0.766	69%	0.69	S	S	*	*			trans	-97.3	-2.4	-172.1	-151.6	70.7	33.6	0	0	114.6	K83	K83-Q86 PolarHBondContact O-N 2.85Å
87	F	28.1	Very low	31.8	Very low	206 Å²	206	139.8 Å²	139.8	90%	0.904	70%	0.704	S	S	*	*			trans	-103.7	92.2	-179.5	-90.3	-84.9	0	0	0	112.1
88	S	24.2	Very low	31.9	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	71%	0.712	S	S	*	*			trans	-145.3	150.2	168.2	-81	0	0	0	0	109.2
89	C	25.2	Very low	31.7	Very low	128 Å²	128	140.3 Å²	140.3	87%	0.865	72%	0.719	S	S	*	*			trans	64.7	109.8	-173.1	-75.7	0	0	0	0	116.2
90	E	30.3	Very low	31.6	Very low	202 Å²	202	140.7 Å²	140.7	94%	0.944	73%	0.734	S	S	*	*				-155.6	166.2	98.3	-102.6	171.2	-175.6	0	0	110.3
91	K	28.8	Very low	31.3	Very low	165 Å²	165	144.7 Å²	144.7	72%	0.717	75%	0.753	S	S	*	*			trans	-123.7	154.2	-168.8	-111.2	-176.4	168.5	-168	0	109.8	E93	K91-E93 HydrophobicContact CD-CG 4.21Å; K91-E93 IonicContact NZ-OE1 2.93Å; K91-E93 PolarHBondContact NZ-OE1 2.88Å
92	P	30.7	Very low	31.1	Very low	121 Å²	121	144.6 Å²	144.6	79%	0.786	76%	0.757	S	S	*	*				-138.6	157.1	89.1	39.4	-25.3	0	0	0	111.9
93	E	29.9	Very low	30.7	Very low	145 Å²	145	147.9 Å²	147.9	68%	0.678	77%	0.766	S	S	*	*			cis	66.3	126.1	47.5	-67.8	-175.5	-163	0	0	114.2	K91	K91-E93 HydrophobicContact CD-CG 4.21Å; K91-E93 IonicContact NZ-OE1 2.93Å; K91-E93 PolarHBondContact NZ-OE1 2.88Å
94	S	31.3	Very low	30.4	Very low	113 Å²	113	147.9 Å²	147.9	79%	0.79	77%	0.773	S	S	*	*			cis	-107.6	-159	-2.7	61.7	0	0	0	0	111
95	C	30	Very low	30.1	Very low	96 Å²	96	146.8 Å²	146.8	65%	0.649	77%	0.773	S	S	*	*			cis	-144.3	160.1	2.2	-116.5	0	0	0	0	107.5
96	K	31.1	Very low	29.6	Very low	151 Å²	151	143.9 Å²	143.9	66%	0.657	77%	0.773	S	S	*	*				52.7	130.8	72.8	-54.2	-173.6	150.2	-73.1	0	114.7
97	E	29.1	Very low	29.5	Very low	149 Å²	149	145.6 Å²	145.6	70%	0.696	78%	0.778	S	S	*	*			cis	-172.7	165.7	-7.4	-116.8	142.6	-155.1	0	0	106.4
98	T	34.6	Very low	29.6	Very low	109 Å²	109	143.8 Å²	143.8	67%	0.669	77%	0.772	S	S	*	*			cis	-145.2	159.2	13.1	56.6	0	0	0	0	113
99	N	30	Very low	29.7	Very low	151 Å²	151	149.6 Å²	149.6	81%	0.807	78%	0.777	S	S	*	*			trans	46.3	109.7	140	-55	-9.9	0	0	0	122.6
100	S	32.2	Very low	30.2	Very low	124 Å²	124	148.2 Å²	148.2	87%	0.867	77%	0.765	S	S	*	*				-161.4	161.7	94.1	-161.7	0	0	0	0	111.9
101	M	30.3	Very low	30.2	Very low	172 Å²	172	141.4 Å²	141.4	85%	0.847	74%	0.74	S	S	*	*			trans	-91.3	167.5	-177.1	-64.9	175.5	173	0	0	111.2
102	N	31.8	Very low	30.3	Very low	145 Å²	145	139.9 Å²	139.9	78%	0.775	74%	0.735	S	S	*	*			cis	-148.6	177.4	20	-152.1	-8.5	0	0	0	114
103	Y	27.9	Very low	30.3	Very low	199 Å²	199	140 Å²	140	78%	0.78	73%	0.729	S	S	*	*			trans	-81.3	150.6	-166.6	-83.3	-117.9	0	0	0	116.6	P105	Y103-P105 HydrophobicContact CD1-CG 4.14Å
104	N	30	Very low	30.4	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	73%	0.73	S	S	*	*				-162	111.4	120.6	-144.9	-29.4	0	0	0	113.8
105	P	28	Very low	30.4	Very low	106 Å²	106	143.6 Å²	143.6	69%	0.688	72%	0.724	S	S	*	*			trans	-113.2	92.9	-175.1	37.2	-27.4	0	0	0	114.2	Y103	Y103-P105 HydrophobicContact CD1-CG 4.14Å
106	C	26.3	Very low	30.3	Very low	111 Å²	111	146.9 Å²	146.9	75%	0.75	72%	0.724	S	S	*	*			trans	-137.8	34.3	-176.9	-152.5	0	0	0	0	116.6
107	F	29	Very low	30.4	Very low	201 Å²	201	143.4 Å²	143.4	88%	0.882	72%	0.718	S	S	*	*			trans	-149.1	76.9	179.7	-104.6	-77.9	0	0	0	114.4
108	Q	30.2	Very low	30.7	Very low	167 Å²	167	139.6 Å²	139.6	78%	0.78	71%	0.709	S	S	*	*	S	Bend	trans	-157.3	-19.3	169.9	-118.8	161.6	31.6	0	0	120	S111	Q108-S111 PolarHBondContact O-OG 2.98Å
109	R	27.9	Very low	30.6	Very low	232 Å²	232	139.1 Å²	139.1	88%	0.875	70%	0.7	S	S	*	*	H	α-helix	trans	-84.3	-9.4	-171.8	-80.1	-175	174.6	171.9	0.1	117.2
110	T	34.3	Very low	30.9	Very low	99 Å²	99	138.9 Å²	138.9	61%	0.607	69%	0.689	S	S	*	*	H	α-helix	trans	-97.6	-4.1	-173.4	54	0	0	0	0	115.3	R114	T110-R114 PolarHBondContact O-NE 2.66Å
111	S	31.5	Very low	31.2	Very low	59 Å²	59	137.9 Å²	137.9	41%	0.413	67%	0.674	S	S	.	*	H	α-helix	trans	-90.9	-47.1	-179.8	54.1	0	0	0	0	112.9	Q108 N113 R114 F115	Q108-S111 PolarHBondContact O-OG 2.98Å; S111-N113 PolarHBondContact O-N 3.24Å; S111-R114 PolarHBondContact O-N 3.43Å; S111-R114 VanDerWaalsContact O-N 3.16Å; S111-F115 PolarHBondContact O-N 2.97Å; S111-F115 VanDerWaalsContact O-N 3.09Å
112	Q	30.5	Very low	31.7	Very low	133 Å²	133	138.5 Å²	138.5	62%	0.621	67%	0.666	S	S	*	*	H	α-helix	trans	-61.4	-44.8	-174.1	-72.1	177.8	-27.9	0	0	113.2	R114 F115 Y116	Q112-R114 VanDerWaalsContact C-N 3.3Å; Q112-R114 PolarHBondContact O-N 2.77Å; Q112-F115 WeakPolarHBondContact O-CB 3.43Å; Q112-F115 PolarHBondContact O-N 3.26Å; Q112-F115 VanDerWaalsContact O-N 3.09Å; Q112-Y116 PolarHBondContact O-N 2.9Å
113	N	30.8	Very low	32.1	Very low	124 Å²	124	138.6 Å²	138.6	66%	0.663	66%	0.66	S	S	*	*	H	α-helix	trans	-62.8	-34.2	176.3	-85.7	-16.6	0	0	0	112.9	S111 F115 Y116 S117	S111-N113 PolarHBondContact O-N 3.24Å; N113-F115 VanDerWaalsContact C-N 3.34Å; N113-Y116 PolarHBondContact O-N 3.48Å; N113-S117 PolarHBondContact O-N 3.07Å
114	R	31.5	Very low	32.6	Very low	183 Å²	183	131.7 Å²	131.7	69%	0.691	64%	0.64	S	S	*	*	H	α-helix	trans	-68	-35	174	-112.4	-177.8	-72.1	-164.4	-3.8	111.8	T110 S111 Q112 S118	T110-R114 PolarHBondContact O-NE 2.66Å; S111-R114 PolarHBondContact O-N 3.43Å; S111-R114 VanDerWaalsContact O-N 3.16Å; Q112-R114 VanDerWaalsContact C-N 3.3Å; Q112-R114 PolarHBondContact O-N 2.77Å; R114-S118 VanDerWaalsContact O-CB 3.24Å; R114-S118 WeakPolarHBondContact O-CB 3.5Å; R114-S118 PolarHBondContact O-N 2.89Å; R114-S118 VanDerWaalsContact O-N 3.16Å
115	F	30.7	Very low	33	Very low	151 Å²	151	128.1 Å²	128.1	66%	0.662	62%	0.624	S	S	*	*	H	α-helix	trans	-66.3	-43.3	174.3	-110.5	-90.6	0	0	0	112.8	S111 Q112 N113 S118 M119	S111-F115 PolarHBondContact O-N 2.97Å; S111-F115 VanDerWaalsContact O-N 3.09Å; Q112-F115 WeakPolarHBondContact O-CB 3.43Å; Q112-F115 PolarHBondContact O-N 3.26Å; Q112-F115 VanDerWaalsContact O-N 3.09Å; N113-F115 VanDerWaalsContact C-N 3.34Å; F115-S118 PolarHBondContact O-N 3.42Å; F115-M119 PolarHBondContact O-N 2.96Å
116	Y	28.7	Very low	33.6	Very low	164 Å²	164	126.4 Å²	126.4	64%	0.643	61%	0.612	S	S	*	*	H	α-helix	trans	-65.3	-48	179.8	-91.9	-82	0	0	0	112.9	Q112 N113 S118 M119 Y120	Q112-Y116 PolarHBondContact O-N 2.9Å; N113-Y116 PolarHBondContact O-N 3.48Å; Y116-S118 VanDerWaalsContact C-N 3.29Å; Y116-S118 PolarHBondContact O-N 3.16Å; Y116-M119 PolarHBondContact O-N 2.92Å; Y116-Y120 PolarHBondContact O-N 3.41Å
117	S	34	Very low	34.1	Very low	78 Å²	78	123 Å²	123	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-63.5	-34.9	176	-62.6	0	0	0	0	112.7	N113 N121	N113-S117 PolarHBondContact O-N 3.07Å; S117-N121 PolarHBondContact O-N 3.04Å; S117-N121 VanDerWaalsContact O-N 3.14Å; S117-N121 PolarHBondContact O-ND2 3.41Å
118	S	33.7	Very low	34.6	Very low	70 Å²	70	118.2 Å²	118.2	49%	0.49	58%	0.575	S	S	.	*	H	α-helix	trans	-62.6	-49.8	172.4	-178.7	0	0	0	0	111.5	R114 F115 Y116 Y120 N121 R122	R114-S118 VanDerWaalsContact O-CB 3.24Å; R114-S118 WeakPolarHBondContact O-CB 3.5Å; R114-S118 PolarHBondContact O-N 2.89Å; R114-S118 VanDerWaalsContact O-N 3.16Å; F115-S118 PolarHBondContact O-N 3.42Å; Y116-S118 VanDerWaalsContact C-N 3.29Å; Y116-S118 PolarHBondContact O-N 3.16Å; S118-Y120 PolarHBondContact O-N 2.87Å; S118-N121 PolarHBondContact O-N 2.76Å; S118-R122 VanDerWaalsContact O-CB 3.3Å; S118-R122 WeakPolarHBondContact O-CB 3.39Å; S118-R122 PolarHBondContact O-N 2.96Å
119	M	32.5	Very low	35	Very low	98 Å²	98	114.3 Å²	114.3	48%	0.483	56%	0.562	S	S	.	*	H	α-helix	trans	-62.8	-38.4	177.5	-80.3	-138.3	-71.1	0	0	113.4	F115 Y116 R122 K123	F115-M119 PolarHBondContact O-N 2.96Å; Y116-M119 PolarHBondContact O-N 2.92Å; M119-R122 PolarHBondContact O-N 3Å; M119-K123 WeakPolarHBondContact O-CB 3.42Å; M119-K123 WeakPolarHBondContact O-CG 3.44Å; M119-K123 PolarHBondContact O-N 3.48Å
120	Y	36.5	Very low	35.4	Very low	147 Å²	147	108.9 Å²	108.9	58%	0.576	55%	0.547	S	S	*	.	H	α-helix	trans	-64.2	-51.3	178.5	-171.2	-94.3	0	0	0	111.4	Y116 S118 R122 K123 C124	Y116-Y120 PolarHBondContact O-N 3.41Å; S118-Y120 PolarHBondContact O-N 2.87Å; Y120-R122 VanDerWaalsContact C-N 3.29Å; Y120-R122 PolarHBondContact O-N 3.19Å; Y120-K123 PolarHBondContact O-N 3.4Å; Y120-C124 PolarHBondContact O-N 3.33Å; Y120-C124 PolarHBondContact O-SG 3.49Å
121	N	39.5	Very low	35.4	Very low	103 Å²	103	109 Å²	109	55%	0.551	54%	0.544	S	S	*	.	H	α-helix	trans	-60.8	-37.6	175.4	-78.2	-32	0	0	0	112.3	S117 S118 C124 T125	S117-N121 PolarHBondContact O-N 3.04Å; S117-N121 VanDerWaalsContact O-N 3.14Å; S117-N121 PolarHBondContact O-ND2 3.41Å; S118-N121 PolarHBondContact O-N 2.76Å; N121-C124 PolarHBondContact O-N 3.09Å; N121-T125 WeakPolarHBondContact O-CB 3.37Å; N121-T125 WeakPolarHBondContact O-CG2 3.39Å; N121-T125 PolarHBondContact O-N 3.2Å; N121-T125 PolarHBondContact O-OG1 3.45Å
122	R	40.5	Very low	35.6	Very low	184 Å²	184	108.5 Å²	108.5	69%	0.694	54%	0.54	S	S	*	.	H	α-helix	trans	-65.3	-41.5	176.4	-155	173.7	-165.7	-177.7	4	111.8	S118 M119 Y120 T125 T126	S118-R122 VanDerWaalsContact O-CB 3.3Å; S118-R122 WeakPolarHBondContact O-CB 3.39Å; S118-R122 PolarHBondContact O-N 2.96Å; M119-R122 PolarHBondContact O-N 3Å; Y120-R122 VanDerWaalsContact C-N 3.29Å; Y120-R122 PolarHBondContact O-N 3.19Å; R122-T125 WeakPolarHBondContact CA-OG1 3.21Å; R122-T125 PolarHBondContact O-OG1 3.11Å; R122-T125 VanDerWaalsContact O-OG1 3.05Å; R122-T126 WeakPolarHBondContact O-CG2 3.33Å; R122-T126 PolarHBondContact O-N 3.19Å; R122-T126 PolarHBondContact O-OG1 2.83Å
123	K	40.1	Very low	35.8	Very low	147 Å²	147	110 Å²	110	64%	0.639	55%	0.545	S	S	*	.	H	α-helix	trans	-64.2	-46.7	174.5	-77.6	-176.6	177.1	-176	0	112.3	M119 Y120 T125 T126 A127	M119-K123 WeakPolarHBondContact O-CB 3.42Å; M119-K123 WeakPolarHBondContact O-CG 3.44Å; M119-K123 PolarHBondContact O-N 3.48Å; Y120-K123 PolarHBondContact O-N 3.4Å; K123-T125 PolarHBondContact O-N 3.39Å; K123-T126 WeakPolarHBondContact CA-OG1 3.38Å; K123-T126 PolarHBondContact O-N 3.21Å; K123-T126 PolarHBondContact O-OG1 3.21Å; K123-A127 WeakPolarHBondContact O-CB 3.31Å; K123-A127 PolarHBondContact O-N 3.24Å
124	C	38	Very low	36.1	Very low	54 Å²	54	113.6 Å²	113.6	37%	0.365	55%	0.55	S	S	.	*	H	α-helix	trans	-63.5	-40.3	178.8	-68.5	0	0	0	0	112.6	Y120 N121 A127 L128	Y120-C124 PolarHBondContact O-N 3.33Å; Y120-C124 PolarHBondContact O-SG 3.49Å; N121-C124 PolarHBondContact O-N 3.09Å; C124-A127 PolarHBondContact O-N 3.06Å; C124-L128 PolarHBondContact O-N 2.86Å; C124-L128 VanDerWaalsContact O-N 3.07Å
125	T	38.3	Very low	36.2	Very low	79 Å²	79	110 Å²	110	49%	0.485	54%	0.544	S	S	.	.	H	α-helix	trans	-69.3	-40.8	175.4	48.8	0	0	0	0	112.3	N121 R122 K123 A127 L128 V129	N121-T125 WeakPolarHBondContact O-CB 3.37Å; N121-T125 WeakPolarHBondContact O-CG2 3.39Å; N121-T125 PolarHBondContact O-N 3.2Å; N121-T125 PolarHBondContact O-OG1 3.45Å; R122-T125 WeakPolarHBondContact CA-OG1 3.21Å; R122-T125 PolarHBondContact O-OG1 3.11Å; R122-T125 VanDerWaalsContact O-OG1 3.05Å; K123-T125 PolarHBondContact O-N 3.39Å; T125-A127 VanDerWaalsContact C-N 3.33Å; T125-A127 PolarHBondContact O-N 3.25Å; T125-L128 PolarHBondContact O-N 3.25Å; T125-V129 WeakPolarHBondContact O-CG2 3.31Å; T125-V129 PolarHBondContact O-N 2.88Å
126	T	40.9	Very low	36.5	Very low	71 Å²	71	111.4 Å²	111.4	44%	0.436	55%	0.55	S	S	.	*	H	α-helix	trans	-62.9	-37.7	173.2	49	0	0	0	0	112.8	R122 K123 V129 Q130	R122-T126 WeakPolarHBondContact O-CG2 3.33Å; R122-T126 PolarHBondContact O-N 3.19Å; R122-T126 PolarHBondContact O-OG1 2.83Å; K123-T126 WeakPolarHBondContact CA-OG1 3.38Å; K123-T126 PolarHBondContact O-N 3.21Å; K123-T126 PolarHBondContact O-OG1 3.21Å; T126-V129 PolarHBondContact O-N 3.28Å; T126-Q130 WeakPolarHBondContact O-CB 3.44Å; T126-Q130 WeakPolarHBondContact O-CG 3.49Å; T126-Q130 PolarHBondContact O-N 3.09Å
127	A	37.4	Very low	36.5	Very low	40 Å²	40	106.3 Å²	106.3	33%	0.331	55%	0.548	S	S	.	.	H	α-helix	trans	-66.4	-40.2	176.7	0	0	0	0	0	112.1	K123 C124 T125 Q130 N131	K123-A127 WeakPolarHBondContact O-CB 3.31Å; K123-A127 PolarHBondContact O-N 3.24Å; C124-A127 PolarHBondContact O-N 3.06Å; T125-A127 VanDerWaalsContact C-N 3.33Å; T125-A127 PolarHBondContact O-N 3.25Å; A127-Q130 PolarHBondContact O-N 2.99Å; A127-N131 WeakPolarHBondContact O-CB 3.41Å; A127-N131 VanDerWaalsContact O-CG 3.23Å; A127-N131 PolarHBondContact O-N 3.04Å; A127-N131 PolarHBondContact O-ND2 3.15Å
128	L	38.6	Very low	36.3	Very low	100 Å²	100	108.8 Å²	108.8	52%	0.524	57%	0.565	S	S	.	*	H	α-helix	trans	-62	-40.5	172.3	-91.1	162.4	0	0	0	112.4	C124 T125 S132	C124-L128 PolarHBondContact O-N 2.86Å; C124-L128 VanDerWaalsContact O-N 3.07Å; T125-L128 PolarHBondContact O-N 3.25Å; L128-S132 PolarHBondContact O-N 3.39Å; L128-S132 PolarHBondContact O-OG 2.73Å
129	V	39.6	Very low	36.4	Very low	84 Å²	84	113.8 Å²	113.8	51%	0.509	58%	0.581	S	S	.	*	H	α-helix	trans	-74.1	-30.4	178.5	173	0	0	0	0	112.7	T125 T126 S132 K133	T125-V129 WeakPolarHBondContact O-CG2 3.31Å; T125-V129 PolarHBondContact O-N 2.88Å; T126-V129 PolarHBondContact O-N 3.28Å; V129-S132 PolarHBondContact O-OG 3.12Å; V129-S132 VanDerWaalsContact O-OG 3.05Å; V129-K133 PolarHBondContact O-N 3.44Å
130	Q	35.5	Very low	36.5	Very low	118 Å²	118	118.5 Å²	118.5	55%	0.551	60%	0.602	S	S	*	*	H	α-helix	trans	-70.6	-45.8	170.2	-76.6	179	-55.2	0	0	111.2	T126 A127 S132 K133 Y134	T126-Q130 WeakPolarHBondContact O-CB 3.44Å; T126-Q130 WeakPolarHBondContact O-CG 3.49Å; T126-Q130 PolarHBondContact O-N 3.09Å; A127-Q130 PolarHBondContact O-N 2.99Å; Q130-S132 VanDerWaalsContact C-N 3.3Å; Q130-S132 PolarHBondContact O-N 2.86Å; Q130-K133 WeakPolarHBondContact O-CB 3.38Å; Q130-K133 PolarHBondContact O-N 2.96Å; Q130-K133 VanDerWaalsContact O-N 3.15Å; Q130-Y134 VanDerWaalsContact O-CD2 3.24Å; Q130-Y134 WeakPolarHBondContact O-CD2 3.36Å; Q130-Y134 PolarHBondContact O-N 3.3Å
131	N	35.5	Very low	36.8	Very low	103 Å²	103	115.2 Å²	115.2	55%	0.551	59%	0.593	S	S	*	*	H	α-helix	trans	-63.4	-35	178	-72.4	-16.2	0	0	0	112.3	A127 Y134 L135	A127-N131 WeakPolarHBondContact O-CB 3.41Å; A127-N131 VanDerWaalsContact O-CG 3.23Å; A127-N131 PolarHBondContact O-N 3.04Å; A127-N131 PolarHBondContact O-ND2 3.15Å; N131-Y134 PolarHBondContact O-N 3.41Å; N131-L135 PolarHBondContact O-N 3.07Å
132	S	35.7	Very low	37.1	Very low	48 Å²	48	113.2 Å²	113.2	34%	0.336	59%	0.587	S	S	.	*	H	α-helix	trans	-67.9	-40.1	172.9	70.3	0	0	0	0	112.2	L128 V129 Q130 Y134 L135 F136	L128-S132 PolarHBondContact O-N 3.39Å; L128-S132 PolarHBondContact O-OG 2.73Å; V129-S132 PolarHBondContact O-OG 3.12Å; V129-S132 VanDerWaalsContact O-OG 3.05Å; Q130-S132 VanDerWaalsContact C-N 3.3Å; Q130-S132 PolarHBondContact O-N 2.86Å; S132-Y134 VanDerWaalsContact C-N 3.29Å; S132-Y134 PolarHBondContact O-N 3.33Å; S132-L135 PolarHBondContact O-N 3.43Å; S132-F136 WeakPolarHBondContact O-CD2 3.33Å
133	K	34.1	Very low	37.2	Very low	165 Å²	165	109.5 Å²	109.5	72%	0.717	59%	0.587	S	S	*	*	H	α-helix	trans	-57.8	-37.3	174.5	-83.4	-169.9	172	-167	0	113.4	V129 Q130 L135	V129-K133 PolarHBondContact O-N 3.44Å; Q130-K133 WeakPolarHBondContact O-CB 3.38Å; Q130-K133 PolarHBondContact O-N 2.96Å; Q130-K133 VanDerWaalsContact O-N 3.15Å; K133-L135 VanDerWaalsContact C-N 3.27Å; K133-L135 PolarHBondContact O-N 3.01Å
134	Y	36.1	Very low	37.4	Very low	199 Å²	199	110.9 Å²	110.9	78%	0.78	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-9.5	175.5	-72.6	-68.1	0	0	0	114.5	Q130 N131 S132	Q130-Y134 VanDerWaalsContact O-CD2 3.24Å; Q130-Y134 WeakPolarHBondContact O-CD2 3.36Å; Q130-Y134 PolarHBondContact O-N 3.3Å; N131-Y134 PolarHBondContact O-N 3.41Å; S132-Y134 VanDerWaalsContact C-N 3.29Å; S132-Y134 PolarHBondContact O-N 3.33Å
135	L	34.3	Very low	38.1	Very low	107 Å²	107	112 Å²	112	56%	0.56	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-5.7	-177	-89.9	164	0	0	0	115.1	N131 S132 K133	N131-L135 PolarHBondContact O-N 3.07Å; S132-L135 PolarHBondContact O-N 3.43Å; K133-L135 VanDerWaalsContact C-N 3.27Å; K133-L135 PolarHBondContact O-N 3.01Å
136	F	36.1	Very low	38.3	Very low	180 Å²	180	114.7 Å²	114.7	79%	0.789	60%	0.604	S	S	*	*	S	Bend	trans	-103.8	7.6	177.4	-68.7	-68.1	0	0	0	114.2	S132 S138	S132-F136 WeakPolarHBondContact O-CD2 3.33Å; F136-S138 PolarHBondContact O-N 3.46Å
137	G	28.8	Very low	38.8	Very low	58 Å²	58	116 Å²	116	60%	0.598	61%	0.608	S	S	*	*	S	Bend	trans	-81.3	105.5	179	0	0	0	0	0	114.3	Q139	G137-Q139 PolarHBondContact O-N 2.94Å; G137-Q139 VanDerWaalsContact O-N 3.1Å
138	S	30.3	Very low	39.7	Very low	129 Å²	129	116.6 Å²	116.6	90%	0.902	61%	0.612	S	S	*	*	S	Bend	trans	36.1	56.5	146.2	-54.3	0	0	0	0	119.8	F136	F136-S138 PolarHBondContact O-N 3.46Å
139	Q	36.4	Very low	40.1	Very low	176 Å²	176	116 Å²	116	82%	0.822	61%	0.607	S	S	*	*			trans	-147.9	149.6	158.2	-113.3	177.1	16.6	0	0	112.6	G137 I141	G137-Q139 PolarHBondContact O-N 2.94Å; G137-Q139 VanDerWaalsContact O-N 3.1Å; Q139-I141 VanDerWaalsContact C-N 3.33Å; Q139-I141 PolarHBondContact O-N 3.37Å
140	E	34.1	Very low	40.9	Very low	196 Å²	196	116.8 Å²	116.8	92%	0.916	60%	0.601	S	S	*	*			trans	-75.5	76	-176	-68.1	-165.2	135	0	0	112.9	S142	E140-S142 PolarHBondContact O-N 2.97Å
141	I	43.6	Very low	42	Very low	78 Å²	78	115.4 Å²	115.4	40%	0.4	60%	0.598	S	S	.	*			trans	-70	123.7	175.3	-60.7	173.8	0	0	0	110.4	Q139 T145 K146	Q139-I141 VanDerWaalsContact C-N 3.33Å; Q139-I141 PolarHBondContact O-N 3.37Å; I141-T145 HydrophobicContact CG2-CG2 3.91Å; I141-K146 HydrophobicContact CB-CG 4.41Å; I141-K146 HydrophobicContact CG2-CG 4.01Å; I141-K146 WeakPolarHBondContact O-CE 3.33Å
142	S	46	Very low	43.4	Very low	61 Å²	61	114.3 Å²	114.3	43%	0.427	59%	0.594	S	S	.	*			trans	-48.6	139.7	179.1	176.8	0	0	0	0	113.6	E140 K144 T145 K146	E140-S142 PolarHBondContact O-N 2.97Å; S142-K144 PolarHBondContact O-N 2.97Å; S142-K144 VanDerWaalsContact O-N 3.14Å; S142-T145 WeakPolarHBondContact O-CB 3.34Å; S142-T145 PolarHBondContact O-N 3.48Å; S142-K146 PolarHBondContact O-N 2.96Å; S142-K146 VanDerWaalsContact O-N 3.09Å
143	P	42.8	Very low	44.4	Very low	107 Å²	107	115.9 Å²	115.9	70%	0.695	60%	0.599	S	S	*	*	H	α-helix	trans	-54.3	-36	-179.3	-27.3	34.4	0	0	0	114.3	T145 K146 L147	P143-T145 VanDerWaalsContact C-N 3.34Å; P143-T145 PolarHBondContact O-N 3.05Å; P143-K146 PolarHBondContact O-N 2.78Å; P143-L147 PolarHBondContact O-N 3.46Å
144	K	42.6	Very low	45.8	Very low	175 Å²	175	111.2 Å²	111.2	76%	0.761	58%	0.581	S	S	*	*	H	α-helix	trans	-66.6	-35.5	178	-68.2	-175.9	177	-179.4	0	112.3	S142 A148	S142-K144 PolarHBondContact O-N 2.97Å; S142-K144 VanDerWaalsContact O-N 3.14Å; K144-A148 WeakPolarHBondContact O-CB 3.43Å; K144-A148 PolarHBondContact O-N 3.2Å; K144-A148 VanDerWaalsContact O-N 3.08Å
145	T	52.6	Low	47.2	Very low	79 Å²	79	108 Å²	108	49%	0.485	57%	0.573	S	S	.	*	H	α-helix	trans	-72.5	-39.2	176.7	-47.6	0	0	0	0	110.9	I141 S142 P143 L147 A148 Q149	I141-T145 HydrophobicContact CG2-CG2 3.91Å; S142-T145 WeakPolarHBondContact O-CB 3.34Å; S142-T145 PolarHBondContact O-N 3.48Å; P143-T145 VanDerWaalsContact C-N 3.34Å; P143-T145 PolarHBondContact O-N 3.05Å; T145-L147 PolarHBondContact O-N 3.4Å; T145-A148 PolarHBondContact O-N 2.9Å; T145-Q149 WeakPolarHBondContact O-CB 3.27Å; T145-Q149 PolarHBondContact O-N 2.91Å
146	K	44.2	Very low	48.6	Very low	135 Å²	135	106.9 Å²	106.9	59%	0.587	57%	0.567	S	S	*	*	H	α-helix	trans	-59.4	-45.3	173.1	-68.6	-171.7	177.3	-177.8	0	111.8	I141 S142 P143 Y150	I141-K146 HydrophobicContact CB-CG 4.41Å; I141-K146 HydrophobicContact CG2-CG 4.01Å; I141-K146 WeakPolarHBondContact O-CE 3.33Å; S142-K146 PolarHBondContact O-N 2.96Å; S142-K146 VanDerWaalsContact O-N 3.09Å; P143-K146 PolarHBondContact O-N 2.78Å; K146-Y150 WeakPolarHBondContact O-CB 3.42Å; K146-Y150 PolarHBondContact O-N 3.35Å
147	L	50.5	Low	49.5	Very low	99 Å²	99	102.7 Å²	102.7	52%	0.518	55%	0.551	S	S	.	*	H	α-helix	trans	-63.6	-51.1	178.1	-170.7	66	0	0	0	111.8	P143 T145 Q149 Y150 D151	P143-L147 PolarHBondContact O-N 3.46Å; T145-L147 PolarHBondContact O-N 3.4Å; L147-Q149 VanDerWaalsContact C-N 3.31Å; L147-Q149 PolarHBondContact O-N 3.23Å; L147-Y150 WeakPolarHBondContact O-CA 3.42Å; L147-Y150 VanDerWaalsContact O-CB 3.29Å; L147-Y150 WeakPolarHBondContact O-CB 3.42Å; L147-Y150 PolarHBondContact O-N 2.93Å; L147-D151 PolarHBondContact O-N 2.91Å
148	A	56.7	Low	51.1	Low	52 Å²	52	103.3 Å²	103.3	43%	0.43	54%	0.541	S	S	.	.	H	α-helix	trans	-61.3	-36.3	179.6	0	0	0	0	0	113.3	K144 T145 Y150 D151 V152	K144-A148 WeakPolarHBondContact O-CB 3.43Å; K144-A148 PolarHBondContact O-N 3.2Å; K144-A148 VanDerWaalsContact O-N 3.08Å; T145-A148 PolarHBondContact O-N 2.9Å; A148-Y150 VanDerWaalsContact C-N 3.34Å; A148-D151 PolarHBondContact O-N 3.32Å; A148-V152 WeakPolarHBondContact O-CG2 3.45Å; A148-V152 PolarHBondContact O-N 3.43Å; A148-V152 VanDerWaalsContact O-N 3.1Å
149	Q	47.1	Very low	52.9	Low	88 Å²	88	102.4 Å²	102.4	41%	0.411	52%	0.521	S	S	.	.	H	α-helix	trans	-66.7	-36.3	173.2	-173.2	62.3	62.2	0	0	111.8	T145 L147 N153	T145-Q149 WeakPolarHBondContact O-CB 3.27Å; T145-Q149 PolarHBondContact O-N 2.91Å; L147-Q149 VanDerWaalsContact C-N 3.31Å; L147-Q149 PolarHBondContact O-N 3.23Å; Q149-N153 PolarHBondContact NE2-OD1 3.48Å; Q149-N153 WeakPolarHBondContact O-CB 3.49Å; Q149-N153 PolarHBondContact O-N 3.49Å; Q149-N153 PolarHBondContact O-ND2 3.4Å; Q149-N153 PolarHBondContact O-OD1 3.03Å
150	Y	55.1	Low	53.9	Low	99 Å²	99	99.5 Å²	99.5	39%	0.388	51%	0.505	S	S	.	.	H	α-helix	trans	-65.6	-43.5	175.3	-153.9	-74.1	0	0	0	111.4	K146 L147 A148 N153 M154 R707	K146-Y150 WeakPolarHBondContact O-CB 3.42Å; K146-Y150 PolarHBondContact O-N 3.35Å; L147-Y150 WeakPolarHBondContact O-CA 3.42Å; L147-Y150 VanDerWaalsContact O-CB 3.29Å; L147-Y150 WeakPolarHBondContact O-CB 3.42Å; L147-Y150 PolarHBondContact O-N 2.93Å; A148-Y150 VanDerWaalsContact C-N 3.34Å; Y150-N153 PolarHBondContact O-N 3.09Å; Y150-M154 HydrophobicContact CD1-CG 3.69Å; Y150-M154 HydrophobicContact CE1-CG 3.63Å; Y150-M154 HydrophobicContact CE1-SD 4.03Å; Y150-M154 WeakPolarHBondContact O-CB 3.34Å; Y150-M154 WeakPolarHBondContact O-CG 3.45Å; Y150-M154 PolarHBondContact O-N 3.35Å; Y150-R707 HydrophobicContact CE1-CG 4.07Å; Y150-R707 VanDerWaalsContact CE1-NE 3.34Å; Y150-R707 VanDerWaalsContact OH-CD 3.3Å; Y150-R707 WeakPolarHBondContact OH-CD 3.41Å; Y150-R707 WeakPolarHBondContact OH-CG 3.04Å
151	D	60.2	Low	54.9	Low	89 Å²	89	94.6 Å²	94.6	48%	0.476	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-45.1	177.8	-63.1	-30.4	0	0	0	111.6	L147 A148 M154 E155	L147-D151 PolarHBondContact O-N 2.91Å; A148-D151 PolarHBondContact O-N 3.32Å; D151-M154 PolarHBondContact O-N 3Å; D151-E155 PolarHBondContact O-N 3.47Å
152	V	64.5	Low	55.9	Low	80 Å²	80	97.9 Å²	97.9	49%	0.485	49%	0.486	S	S	.	.	H	α-helix	trans	-62.6	-42.8	175.3	170.4	0	0	0	0	111.5	A148 M154 E155 L156	A148-V152 WeakPolarHBondContact O-CG2 3.45Å; A148-V152 PolarHBondContact O-N 3.43Å; A148-V152 VanDerWaalsContact O-N 3.1Å; V152-M154 PolarHBondContact O-N 3.28Å; V152-E155 PolarHBondContact O-N 3.28Å; V152-L156 PolarHBondContact O-N 3.18Å
153	N	56.3	Low	56.5	Low	82 Å²	82	98.5 Å²	98.5	44%	0.439	48%	0.484	S	S	.	.	H	α-helix	trans	-63.3	-41.6	176.6	-69.8	-2.4	0	0	0	111.4	Q149 Y150 L156 M157	Q149-N153 PolarHBondContact NE2-OD1 3.48Å; Q149-N153 WeakPolarHBondContact O-CB 3.49Å; Q149-N153 PolarHBondContact O-N 3.49Å; Q149-N153 PolarHBondContact O-ND2 3.4Å; Q149-N153 PolarHBondContact O-OD1 3.03Å; Y150-N153 PolarHBondContact O-N 3.09Å; N153-L156 WeakPolarHBondContact O-CB 3.35Å; N153-L156 PolarHBondContact O-N 3.19Å; N153-M157 WeakPolarHBondContact O-CG 3.27Å; N153-M157 PolarHBondContact O-N 3.14Å
154	M	63.4	Low	56.8	Low	66 Å²	66	98.8 Å²	98.8	33%	0.325	48%	0.476	S	S	.	.	H	α-helix	trans	-65.3	-40	175.4	-76.7	-64.6	-64.8	0	0	112.4	Y150 D151 V152 L156 M157 N158	Y150-M154 HydrophobicContact CD1-CG 3.69Å; Y150-M154 HydrophobicContact CE1-CG 3.63Å; Y150-M154 HydrophobicContact CE1-SD 4.03Å; Y150-M154 WeakPolarHBondContact O-CB 3.34Å; Y150-M154 WeakPolarHBondContact O-CG 3.45Å; Y150-M154 PolarHBondContact O-N 3.35Å; D151-M154 PolarHBondContact O-N 3Å; V152-M154 PolarHBondContact O-N 3.28Å; M154-L156 VanDerWaalsContact C-N 3.34Å; M154-M157 PolarHBondContact O-N 3.15Å; M154-N158 VanDerWaalsContact O-CB 3.28Å; M154-N158 WeakPolarHBondContact O-CB 3.41Å; M154-N158 PolarHBondContact O-N 3.36Å; M154-N158 PolarHBondContact O-ND2 3.47Å
155	E	65.2	Low	57.7	Low	133 Å²	133	94.4 Å²	94.4	62%	0.621	46%	0.46	S	S	*	.	H	α-helix	trans	-64.2	-40.7	174.1	-171.7	173.9	-167.9	0	0	111.2	D151 V152 N158 K159	D151-E155 PolarHBondContact O-N 3.47Å; V152-E155 PolarHBondContact O-N 3.28Å; E155-N158 PolarHBondContact O-N 2.87Å; E155-K159 WeakPolarHBondContact O-CB 3.48Å; E155-K159 PolarHBondContact O-N 3.06Å
156	L	64.2	Low	57.7	Low	83 Å²	83	96.7 Å²	96.7	44%	0.435	46%	0.46	S	S	.	.	H	α-helix	trans	-59.9	-50.6	174.7	-133.6	80.4	0	0	0	111.6	V152 N153 M154 N158 K159 F160	V152-L156 PolarHBondContact O-N 3.18Å; N153-L156 WeakPolarHBondContact O-CB 3.35Å; N153-L156 PolarHBondContact O-N 3.19Å; M154-L156 VanDerWaalsContact C-N 3.34Å; L156-N158 PolarHBondContact O-N 2.89Å; L156-K159 WeakPolarHBondContact O-CA 3.34Å; L156-K159 WeakPolarHBondContact O-CB 3.45Å; L156-K159 PolarHBondContact O-N 3.06Å; L156-F160 HydrophobicContact CD2-CE2 4.17Å; L156-F160 HydrophobicContact CG-CE2 4.25Å; L156-F160 WeakPolarHBondContact O-CD2 3.34Å; L156-F160 PolarHBondContact O-N 3.26Å
157	M	54.6	Low	58.2	Low	91 Å²	91	95.3 Å²	95.3	45%	0.448	46%	0.455	S	S	.	.	H	α-helix	trans	-61.8	-43.1	178.7	-71	-64	-71.3	0	0	111.9	N153 M154 K159 F160 R161 I714	N153-M157 WeakPolarHBondContact O-CG 3.27Å; N153-M157 PolarHBondContact O-N 3.14Å; M154-M157 PolarHBondContact O-N 3.15Å; M157-K159 PolarHBondContact O-N 3.34Å; M157-F160 PolarHBondContact O-N 3.47Å; M157-R161 WeakPolarHBondContact O-CB 3.39Å; M157-R161 PolarHBondContact O-N 3.36Å; M157-I714 HydrophobicContact CE-CD1 3.98Å
158	N	62.9	Low	57.9	Low	72 Å²	72	96.1 Å²	96.1	39%	0.385	46%	0.459	S	S	.	.	H	α-helix	trans	-66.3	-22.2	173.9	-77.2	-43.3	0	0	0	113.1	M154 E155 L156 R162	M154-N158 VanDerWaalsContact O-CB 3.28Å; M154-N158 WeakPolarHBondContact O-CB 3.41Å; M154-N158 PolarHBondContact O-N 3.36Å; M154-N158 PolarHBondContact O-ND2 3.47Å; E155-N158 PolarHBondContact O-N 2.87Å; L156-N158 PolarHBondContact O-N 2.89Å; N158-R162 WeakPolarHBondContact O-CB 3.42Å; N158-R162 WeakPolarHBondContact O-CG 3.33Å; N158-R162 PolarHBondContact O-N 3.08Å; N158-R162 PolarHBondContact O-NE 3.43Å
159	K	67.1	Low	57.3	Low	110 Å²	110	99 Å²	99	48%	0.478	46%	0.464	S	S	.	.	H	α-helix	trans	-81.8	-39.2	173.7	-167.4	174.2	-177.6	177.7	0	111.6	E155 L156 M157 R162 L163	E155-K159 WeakPolarHBondContact O-CB 3.48Å; E155-K159 PolarHBondContact O-N 3.06Å; L156-K159 WeakPolarHBondContact O-CA 3.34Å; L156-K159 WeakPolarHBondContact O-CB 3.45Å; L156-K159 PolarHBondContact O-N 3.06Å; M157-K159 PolarHBondContact O-N 3.34Å; K159-R162 PolarHBondContact O-N 3.08Å; K159-L163 WeakPolarHBondContact O-CG 3.14Å; K159-L163 PolarHBondContact O-N 2.8Å; K159-L163 VanDerWaalsContact O-N 3.1Å
160	F	58.6	Low	57.3	Low	115 Å²	115	99.6 Å²	99.6	50%	0.504	47%	0.465	S	S	.	.	H	α-helix	trans	-63	-49.7	171.3	-83.9	-71.6	0	0	0	111.9	L156 M157 R162 L163 E164	L156-F160 HydrophobicContact CD2-CE2 4.17Å; L156-F160 HydrophobicContact CG-CE2 4.25Å; L156-F160 WeakPolarHBondContact O-CD2 3.34Å; L156-F160 PolarHBondContact O-N 3.26Å; M157-F160 PolarHBondContact O-N 3.47Å; F160-R162 VanDerWaalsContact C-N 3.26Å; F160-R162 PolarHBondContact O-N 3.16Å; F160-L163 WeakPolarHBondContact O-CA 3.3Å; F160-L163 WeakPolarHBondContact O-CB 3.36Å; F160-L163 PolarHBondContact O-N 2.68Å; F160-E164 PolarHBondContact O-N 3.39Å
161	R	55	Low	56.6	Low	92 Å²	92	98.8 Å²	98.8	35%	0.347	47%	0.465	S	S	.	.	H	α-helix	trans	-56.1	-40.2	176	-169.7	175.5	-67.1	-144.8	-7	112	M157 L163 I165 E713	M157-R161 WeakPolarHBondContact O-CB 3.39Å; M157-R161 PolarHBondContact O-N 3.36Å; R161-L163 VanDerWaalsContact C-N 3.3Å; R161-L163 PolarHBondContact O-N 3.08Å; R161-I165 HydrophobicContact CG-CD1 4.08Å; R161-I165 WeakPolarHBondContact O-CB 3.43Å; R161-I165 WeakPolarHBondContact O-CD1 3.39Å; R161-I165 VanDerWaalsContact O-CG1 3.24Å; R161-I165 WeakPolarHBondContact O-CG1 3.47Å; R161-I165 PolarHBondContact O-N 3.16Å; R161-E713 IonicContact CZ-OE1 3.82Å; R161-E713 IonicContact CZ-OE2 2.92Å; R161-E713 IonicContact NH1-OE2 3.75Å; R161-E713 PolarHBondContact NH1-OE2 3.32Å; R161-E713 IonicContact NH2-OE1 2.83Å; R161-E713 PolarHBondContact NH2-OE1 3.02Å; R161-E713 IonicContact NH2-OE2 2.71Å; R161-E713 PolarHBondContact NH2-OE2 3.06Å
162	R	65.3	Low	55.6	Low	148 Å²	148	97.7 Å²	97.7	56%	0.558	46%	0.463	S	S	*	.	H	α-helix	trans	-75.9	-6.2	174.3	-75.9	-177.8	-70.1	-175.5	-2	115	N158 K159 F160 R166	N158-R162 WeakPolarHBondContact O-CB 3.42Å; N158-R162 WeakPolarHBondContact O-CG 3.33Å; N158-R162 PolarHBondContact O-N 3.08Å; N158-R162 PolarHBondContact O-NE 3.43Å; K159-R162 PolarHBondContact O-N 3.08Å; F160-R162 VanDerWaalsContact C-N 3.26Å; F160-R162 PolarHBondContact O-N 3.16Å; R162-R166 VanDerWaalsContact O-CZ 3.23Å; R162-R166 PolarHBondContact O-NE 2.9Å; R162-R166 PolarHBondContact O-NH2 3.1Å
163	L	58.2	Low	54.4	Low	73 Å²	73	97.9 Å²	97.9	38%	0.382	46%	0.464	S	S	.	.	H	α-helix	trans	-94.4	-48.2	168.1	-75.5	164.8	0	0	0	109.9	K159 F160 R161 I165 R166 E167	K159-L163 WeakPolarHBondContact O-CG 3.14Å; K159-L163 PolarHBondContact O-N 2.8Å; K159-L163 VanDerWaalsContact O-N 3.1Å; F160-L163 WeakPolarHBondContact O-CA 3.3Å; F160-L163 WeakPolarHBondContact O-CB 3.36Å; F160-L163 PolarHBondContact O-N 2.68Å; R161-L163 VanDerWaalsContact C-N 3.3Å; R161-L163 PolarHBondContact O-N 3.08Å; L163-I165 PolarHBondContact O-N 2.99Å; L163-R166 CarbonylContact O-C 3.49Å; L163-R166 WeakPolarHBondContact O-CA 3.49Å; L163-R166 WeakPolarHBondContact O-CB 3.37Å; L163-R166 PolarHBondContact O-N 2.93Å; L163-E167 PolarHBondContact O-N 3.41Å
164	E	49.5	Very low	53.7	Low	114 Å²	114	99.5 Å²	99.5	53%	0.533	47%	0.467	S	S	.	.	H	α-helix	trans	-56	-45	178.2	-170.1	166.7	-142.9	0	0	112.3	F160 R166 E167 L168	F160-E164 PolarHBondContact O-N 3.39Å; E164-R166 VanDerWaalsContact C-N 3.33Å; E164-R166 PolarHBondContact O-N 2.69Å; E164-E167 WeakPolarHBondContact O-CB 3.24Å; E164-E167 PolarHBondContact O-N 3.18Å; E164-E167 VanDerWaalsContact O-N 3.08Å; E164-L168 HydrophobicContact CG-CD1 4.35Å; E164-L168 WeakPolarHBondContact O-CG 3.48Å; E164-L168 PolarHBondContact O-N 3.15Å
165	I	61.1	Low	52.4	Low	82 Å²	82	103.7 Å²	103.7	42%	0.421	48%	0.479	S	S	.	.	H	α-helix	trans	-57.3	-44.7	171.7	-69.6	166.5	0	0	0	111.3	R161 L163 E167 L168 E169	R161-I165 HydrophobicContact CG-CD1 4.08Å; R161-I165 WeakPolarHBondContact O-CB 3.43Å; R161-I165 WeakPolarHBondContact O-CD1 3.39Å; R161-I165 VanDerWaalsContact O-CG1 3.24Å; R161-I165 WeakPolarHBondContact O-CG1 3.47Å; R161-I165 PolarHBondContact O-N 3.16Å; L163-I165 PolarHBondContact O-N 2.99Å; I165-E167 VanDerWaalsContact C-N 3.27Å; I165-E167 PolarHBondContact O-N 3.34Å; I165-L168 PolarHBondContact O-N 3.44Å; I165-E169 HydrophobicContact CG2-CG 4.28Å; I165-E169 WeakPolarHBondContact CG2-OE1 3.22Å; I165-E169 WeakPolarHBondContact O-CB 3.22Å; I165-E169 VanDerWaalsContact O-CG 3.23Å; I165-E169 WeakPolarHBondContact O-CG 3.45Å; I165-E169 PolarHBondContact O-N 3.29Å
166	R	51.6	Low	51.3	Low	128 Å²	128	101.8 Å²	101.8	48%	0.483	47%	0.472	S	S	.	.	H	α-helix	trans	-73.3	-12.7	177.2	-88.9	-178.5	-63.7	151.7	5	114.4	R162 L163 E164 E169 K170	R162-R166 VanDerWaalsContact O-CZ 3.23Å; R162-R166 PolarHBondContact O-NE 2.9Å; R162-R166 PolarHBondContact O-NH2 3.1Å; L163-R166 CarbonylContact O-C 3.49Å; L163-R166 WeakPolarHBondContact O-CA 3.49Å; L163-R166 WeakPolarHBondContact O-CB 3.37Å; L163-R166 PolarHBondContact O-N 2.93Å; E164-R166 VanDerWaalsContact C-N 3.33Å; E164-R166 PolarHBondContact O-N 2.69Å; R166-E169 WeakPolarHBondContact CG-OE2 3.41Å; R166-K170 VanDerWaalsContact O-CD 3.22Å; R166-K170 WeakPolarHBondContact O-CD 3.3Å; R166-K170 WeakPolarHBondContact O-CE 3.43Å; R166-K170 VanDerWaalsContact O-CG 3.26Å; R166-K170 WeakPolarHBondContact O-CG 3.44Å; R166-K170 PolarHBondContact O-NZ 2.91Å
167	E	56	Low	50.2	Low	105 Å²	105	105.2 Å²	105.2	49%	0.491	48%	0.484	S	S	.	.	H	α-helix	trans	-83.2	-46	169.1	-123	61.7	-104.4	0	0	109.5	L163 E164 I165 E169 K170 E171	L163-E167 PolarHBondContact O-N 3.41Å; E164-E167 WeakPolarHBondContact O-CB 3.24Å; E164-E167 PolarHBondContact O-N 3.18Å; E164-E167 VanDerWaalsContact O-N 3.08Å; I165-E167 VanDerWaalsContact C-N 3.27Å; I165-E167 PolarHBondContact O-N 3.34Å; E167-E169 PolarHBondContact O-N 3.23Å; E167-K170 PolarHBondContact O-N 3.37Å; E167-K170 VanDerWaalsContact O-N 3.12Å; E167-K170 IonicContact OE1-NZ 3.73Å; E167-K170 PolarHBondContact OE1-NZ 2.76Å; E167-E171 PolarHBondContact O-N 2.92Å
168	L	42.9	Very low	49.4	Very low	116 Å²	116	106.8 Å²	106.8	61%	0.607	49%	0.49	S	S	*	.	H	α-helix	trans	-64	-36.6	176.5	-67.2	169.3	0	0	0	112.7	E164 I165 K170 E171 P172	E164-L168 HydrophobicContact CG-CD1 4.35Å; E164-L168 WeakPolarHBondContact O-CG 3.48Å; E164-L168 PolarHBondContact O-N 3.15Å; I165-L168 PolarHBondContact O-N 3.44Å; L168-K170 PolarHBondContact O-N 2.86Å; L168-E171 PolarHBondContact O-N 3.06Å; L168-P172 WeakPolarHBondContact O-CD 3.26Å
169	E	45.1	Very low	48	Very low	112 Å²	112	105.5 Å²	105.5	52%	0.523	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.6	173.5	-75.4	167.4	165.5	0	0	113.3	I165 R166 E167 V173	I165-E169 HydrophobicContact CG2-CG 4.28Å; I165-E169 WeakPolarHBondContact CG2-OE1 3.22Å; I165-E169 WeakPolarHBondContact O-CB 3.22Å; I165-E169 VanDerWaalsContact O-CG 3.23Å; I165-E169 WeakPolarHBondContact O-CG 3.45Å; I165-E169 PolarHBondContact O-N 3.29Å; R166-E169 WeakPolarHBondContact CG-OE2 3.41Å; E167-E169 PolarHBondContact O-N 3.23Å; E169-V173 WeakPolarHBondContact O-CG2 3.46Å
170	K	45.5	Very low	46.6	Very low	101 Å²	101	108.5 Å²	108.5	44%	0.439	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-25.3	177.5	-65.8	166.5	-164.5	156.5	0	113.3	R166 E167 L168 V173 K174	R166-K170 VanDerWaalsContact O-CD 3.22Å; R166-K170 WeakPolarHBondContact O-CD 3.3Å; R166-K170 WeakPolarHBondContact O-CE 3.43Å; R166-K170 VanDerWaalsContact O-CG 3.26Å; R166-K170 WeakPolarHBondContact O-CG 3.44Å; R166-K170 PolarHBondContact O-NZ 2.91Å; E167-K170 PolarHBondContact O-N 3.37Å; E167-K170 VanDerWaalsContact O-N 3.12Å; E167-K170 IonicContact OE1-NZ 3.73Å; E167-K170 PolarHBondContact OE1-NZ 2.76Å; L168-K170 PolarHBondContact O-N 2.86Å; K170-V173 PolarHBondContact O-N 3.24Å; K170-V173 VanDerWaalsContact O-N 3.16Å; K170-K174 PolarHBondContact O-N 2.95Å; K170-K174 VanDerWaalsContact O-N 3.17Å
171	E	41.8	Very low	45.8	Very low	82 Å²	82	107.9 Å²	107.9	38%	0.383	50%	0.501	S	S	.	.	H	α-helix	trans	-57.7	-42.9	179.5	-89.9	-63.2	120	0	0	115	E167 L168 R175	E167-E171 PolarHBondContact O-N 2.92Å; L168-E171 PolarHBondContact O-N 3.06Å; E171-R175 IonicContact OE2-CZ 2.7Å; E171-R175 IonicContact OE2-NE 2.72Å; E171-R175 IonicContact OE2-NH2 3.37Å; E171-R175 PolarHBondContact OE2-NH2 3.39Å
172	P	39.1	Very low	44.9	Very low	66 Å²	66	106.5 Å²	106.5	43%	0.429	51%	0.506	S	S	.	.	H	α-helix	trans	-70.5	-31.6	173.3	26.7	-33.1	0	0	0	112.3	L168 K174 R175 I176	L168-P172 WeakPolarHBondContact O-CD 3.26Å; P172-K174 PolarHBondContact O-N 3.23Å; P172-R175 PolarHBondContact O-N 3.08Å; P172-I176 WeakPolarHBondContact O-CD1 3.26Å; P172-I176 VanDerWaalsContact O-CG1 3.31Å; P172-I176 WeakPolarHBondContact O-CG1 3.42Å; P172-I176 PolarHBondContact O-N 3.42Å; P172-I176 VanDerWaalsContact O-N 3.12Å
173	V	39.4	Very low	43.5	Very low	85 Å²	85	105.1 Å²	105.1	52%	0.515	51%	0.505	S	S	.	.	H	α-helix	trans	-70.1	-29.9	-176.1	-178.8	0	0	0	0	112.5	E169 K170	E169-V173 WeakPolarHBondContact O-CG2 3.46Å; K170-V173 PolarHBondContact O-N 3.24Å; K170-V173 VanDerWaalsContact O-N 3.16Å
174	K	40.5	Very low	42.6	Very low	115 Å²	115	109.6 Å²	109.6	50%	0.5	52%	0.522	S	S	.	.	H	α-helix	trans	-70.9	-52.3	173.2	-71.1	178.8	-179.8	173.5	0	111.9	K170 P172 I176 K177 E178	K170-K174 PolarHBondContact O-N 2.95Å; K170-K174 VanDerWaalsContact O-N 3.17Å; P172-K174 PolarHBondContact O-N 3.23Å; K174-I176 VanDerWaalsContact C-N 3.27Å; K174-I176 PolarHBondContact O-N 2.91Å; K174-K177 PolarHBondContact O-N 3.02Å; K174-E178 PolarHBondContact O-N 3.01Å
175	R	36.5	Very low	41.9	Very low	154 Å²	154	108.6 Å²	108.6	58%	0.581	53%	0.526	S	S	*	.	H	α-helix	trans	-57.7	-37.4	179.9	-89.9	175.5	-91.5	-177.7	-9.5	113.1	E171 P172 K177 E178 S179	E171-R175 IonicContact OE2-CZ 2.7Å; E171-R175 IonicContact OE2-NE 2.72Å; E171-R175 IonicContact OE2-NH2 3.37Å; E171-R175 PolarHBondContact OE2-NH2 3.39Å; P172-R175 PolarHBondContact O-N 3.08Å; R175-K177 VanDerWaalsContact C-N 3.29Å; R175-K177 PolarHBondContact O-N 3.27Å; R175-E178 PolarHBondContact O-N 3.35Å; R175-S179 WeakPolarHBondContact O-CB 3.36Å; R175-S179 PolarHBondContact O-N 3.45Å; R175-S179 PolarHBondContact O-OG 2.81Å
176	I	42.3	Very low	40.7	Very low	93 Å²	93	110.2 Å²	110.2	48%	0.477	54%	0.535	S	S	.	.	H	α-helix	trans	-71.4	-19.3	176.9	-66.6	167.5	0	0	0	113.1	P172 K174 R180	P172-I176 WeakPolarHBondContact O-CD1 3.26Å; P172-I176 VanDerWaalsContact O-CG1 3.31Å; P172-I176 WeakPolarHBondContact O-CG1 3.42Å; P172-I176 PolarHBondContact O-N 3.42Å; P172-I176 VanDerWaalsContact O-N 3.12Å; K174-I176 VanDerWaalsContact C-N 3.27Å; K174-I176 PolarHBondContact O-N 2.91Å; I176-R180 WeakPolarHBondContact O-CD 3.46Å; I176-R180 WeakPolarHBondContact O-CG 3.4Å
177	K	40.5	Very low	40	Very low	156 Å²	156	111.3 Å²	111.3	68%	0.678	55%	0.545	S	S	*	.	H	α-helix	trans	-86.2	-33.7	170.5	-78.5	-171.3	171.2	-172.6	0	112.8	K174 R175 T181	K174-K177 PolarHBondContact O-N 3.02Å; R175-K177 VanDerWaalsContact C-N 3.29Å; R175-K177 PolarHBondContact O-N 3.27Å; K177-T181 PolarHBondContact O-OG1 2.9Å
178	E	39.4	Very low	39.1	Very low	123 Å²	123	110.9 Å²	110.9	58%	0.575	55%	0.55	S	S	*	.	H	α-helix	trans	-76.5	-39.2	179.3	-70.6	160.5	-175.6	0	0	111.4	K174 R175 R180 T181 S182	K174-E178 PolarHBondContact O-N 3.01Å; R175-E178 PolarHBondContact O-N 3.35Å; E178-R180 PolarHBondContact O-N 2.81Å; E178-T181 PolarHBondContact O-N 3.44Å; E178-T181 PolarHBondContact O-OG1 3.46Å; E178-S182 PolarHBondContact O-N 2.89Å
179	S	33.6	Very low	38.8	Very low	46 Å²	46	109.4 Å²	109.4	32%	0.322	55%	0.549	S	S	.	.	H	α-helix	trans	-65.1	-39.2	175	68.9	0	0	0	0	112.9	R175 T181 S182 E183	R175-S179 WeakPolarHBondContact O-CB 3.36Å; R175-S179 PolarHBondContact O-N 3.45Å; R175-S179 PolarHBondContact O-OG 2.81Å; S179-T181 PolarHBondContact O-N 3.49Å; S179-T181 VanDerWaalsContact O-N 3.12Å; S179-S182 WeakPolarHBondContact CA-OG 3.37Å; S179-S182 PolarHBondContact O-N 2.89Å; S179-S182 VanDerWaalsContact O-N 3.11Å; S179-S182 PolarHBondContact O-OG 2.96Å; S179-E183 WeakPolarHBondContact O-CG 3.48Å; S179-E183 PolarHBondContact O-N 3.28Å
180	R	36.9	Very low	38.3	Very low	173 Å²	173	111 Å²	111	65%	0.653	56%	0.561	S	S	*	*	H	α-helix	trans	-69.6	-4.2	176.5	-74.4	-178.1	170.9	-177.2	-2.2	114.5	I176 E178	I176-R180 WeakPolarHBondContact O-CD 3.46Å; I176-R180 WeakPolarHBondContact O-CG 3.4Å; E178-R180 PolarHBondContact O-N 2.81Å
181	T	41.3	Very low	37.8	Very low	101 Å²	101	112.6 Å²	112.6	62%	0.62	57%	0.573	S	S	*	*	H	α-helix	trans	-102.3	-27	168.6	34.7	0	0	0	0	112.8	K177 E178 S179	K177-T181 PolarHBondContact O-OG1 2.9Å; E178-T181 PolarHBondContact O-N 3.44Å; E178-T181 PolarHBondContact O-OG1 3.46Å; S179-T181 PolarHBondContact O-N 3.49Å; S179-T181 VanDerWaalsContact O-N 3.12Å
182	S	36.7	Very low	37.5	Very low	64 Å²	64	117 Å²	117	45%	0.448	59%	0.593	S	S	.	*	H	α-helix	trans	-74.1	-38	169	50.8	0	0	0	0	113.5	E178 S179 K184 C185	E178-S182 PolarHBondContact O-N 2.89Å; S179-S182 WeakPolarHBondContact CA-OG 3.37Å; S179-S182 PolarHBondContact O-N 2.89Å; S179-S182 VanDerWaalsContact O-N 3.11Å; S179-S182 PolarHBondContact O-OG 2.96Å; S182-K184 PolarHBondContact O-N 3.09Å; S182-K184 VanDerWaalsContact O-N 3.15Å; S182-C185 WeakPolarHBondContact O-CB 3.45Å; S182-C185 PolarHBondContact O-N 3.14Å
183	E	36.3	Very low	37.2	Very low	118 Å²	118	123.1 Å²	123.1	55%	0.551	62%	0.616	S	S	*	*	H	α-helix	trans	-64.5	-18.3	178.8	-70.7	168.3	156.1	0	0	113	S179	S179-E183 WeakPolarHBondContact O-CG 3.48Å; S179-E183 PolarHBondContact O-N 3.28Å
184	K	38.6	Very low	36.7	Very low	168 Å²	168	127.6 Å²	127.6	73%	0.73	63%	0.631	S	S	*	*	H	α-helix	trans	-92.2	-3.7	172.4	-75.1	-167.9	169.1	-166.5	0	114.8	S182 T188	S182-K184 PolarHBondContact O-N 3.09Å; S182-K184 VanDerWaalsContact O-N 3.15Å; K184-T188 PolarHBondContact O-OG1 3.37Å
185	C	34.9	Very low	36.1	Very low	93 Å²	93	128.2 Å²	128.2	63%	0.628	65%	0.645	S	S	*	*	H	α-helix	trans	-96.1	-20.6	176.7	-161.9	0	0	0	0	112.6	S182	S182-C185 WeakPolarHBondContact O-CB 3.45Å; S182-C185 PolarHBondContact O-N 3.14Å
186	I	35.8	Very low	36	Very low	116 Å²	116	127.4 Å²	127.4	60%	0.595	66%	0.657	S	S	*	*	H	α-helix	trans	-92	-23.5	-179.6	-62	167	0	0	0	111.3	T188	I186-T188 VanDerWaalsContact C-N 3.26Å; I186-T188 PolarHBondContact O-N 3.05Å
187	Q	36.9	Very low	35.6	Very low	151 Å²	151	127.7 Å²	127.7	71%	0.706	67%	0.667	S	S	*	*	S	Bend	trans	-78.1	-2.8	-179.9	-139.8	82.3	17.3	0	0	114.6
188	T	37.7	Very low	35.1	Very low	95 Å²	95	127.8 Å²	127.8	58%	0.583	68%	0.675	S	S	*	*	S	Bend	trans	-121.8	-16.6	-168.7	-37.9	0	0	0	0	112.9	K184 I186 L190	K184-T188 PolarHBondContact O-OG1 3.37Å; I186-T188 VanDerWaalsContact C-N 3.26Å; I186-T188 PolarHBondContact O-N 3.05Å; T188-L190 VanDerWaalsContact C-N 3.34Å
189	S	36.4	Very low	35	Very low	85 Å²	85	130.3 Å²	130.3	59%	0.594	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	14.9	178.1	63.9	0	0	0	0	113.9
190	L	34.3	Very low	35.2	Very low	146 Å²	146	135.7 Å²	135.7	76%	0.764	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	15.3	-175.8	-116.2	78.9	0	0	0	113.3	T188	T188-L190 VanDerWaalsContact C-N 3.34Å
191	I	35.3	Very low	35.3	Very low	135 Å²	135	132.9 Å²	132.9	69%	0.692	70%	0.703	S	S	*	*	S	Bend	trans	-124.4	-9.8	-170.6	-63.8	178.6	0	0	0	112.5
192	E	35	Very low	35.3	Very low	174 Å²	174	135.9 Å²	135.9	81%	0.813	71%	0.707	S	S	*	*	S	Bend	trans	-106.7	-0.2	-172.3	-64.3	-173.7	139	0	0	115.5
193	E	33.4	Very low	35.2	Very low	194 Å²	194	139.1 Å²	139.1	91%	0.907	72%	0.719	S	S	*	*			trans	-116.3	60.6	174.4	-70	-169	138.2	0	0	112.5
194	Q	28.1	Very low	35.4	Very low	180 Å²	180	139 Å²	139	84%	0.841	73%	0.726	S	S	*	*			trans	-141.5	67.8	166.5	-72.5	-164.6	14.1	0	0	112.9
195	T	28.1	Very low	35.1	Very low	128 Å²	128	137 Å²	137	79%	0.785	73%	0.728	S	S	*	*			trans	-160.6	143.3	163	11.6	0	0	0	0	110.9
196	T	33.9	Very low	35.2	Very low	136 Å²	136	137.9 Å²	137.9	83%	0.834	74%	0.736	S	S	*	*			trans	63.4	143.8	176.7	70.6	0	0	0	0	116.7
197	S	34.8	Very low	35.1	Very low	99 Å²	99	141.6 Å²	141.6	69%	0.692	75%	0.751	S	S	*	*			cis	-171.3	118.6	-28.3	44.3	0	0	0	0	109.6
198	N	29	Very low	34.9	Very low	158 Å²	158	140.3 Å²	140.3	85%	0.845	76%	0.755	S	S	*	*			trans	48	163.8	131.8	-71.9	7.3	0	0	0	124.2
199	E	38.3	Very low	34.6	Very low	176 Å²	176	141.5 Å²	141.5	82%	0.822	77%	0.768	S	S	*	*			trans	75.1	102.6	172.8	-61.3	178.8	170.5	0	0	115
200	E	37.3	Very low	34.7	Very low	159 Å²	159	142.7 Å²	142.7	74%	0.743	77%	0.774	S	S	*	*				98.1	146	82.9	-82.2	-150.2	139	0	0	111.2
201	M	39.6	Very low	34.7	Very low	115 Å²	115	140.8 Å²	140.8	57%	0.567	77%	0.773	S	S	*	*			cis	-156.2	147.5	3	-134.2	-158.1	-133.4	0	0	110.5
202	K	40.9	Very low	34.6	Very low	163 Å²	163	140 Å²	140	71%	0.709	78%	0.779	S	S	*	*			trans	56.4	151.8	142.6	-78.4	-178.5	-167.2	158.8	0	121.9
203	D	35.3	Very low	34.3	Very low	132 Å²	132	139.3 Å²	139.3	71%	0.706	78%	0.776	S	S	*	*			cis	-159.2	172.5	-2.7	-136.8	-35.6	0	0	0	114.1
204	V	40	Very low	34.1	Very low	115 Å²	115	139.6 Å²	139.6	70%	0.697	77%	0.77	S	S	*	*			trans	53.5	87.2	159.4	-167.7	0	0	0	0	121.2
205	T	32.7	Very low	34.1	Very low	126 Å²	126	136 Å²	136	77%	0.773	77%	0.765	S	S	*	*				24.6	124.8	114.1	-48.8	0	0	0	0	122.2
206	S	36.3	Very low	34.2	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	77%	0.766	S	S	*	*				-175.9	150.1	118.2	32	0	0	0	0	115.4
207	E	33.9	Very low	33.8	Very low	193 Å²	193	131.9 Å²	131.9	90%	0.902	76%	0.756	S	S	*	*			trans	50.3	124.3	168.6	-60.4	-144.5	131.4	0	0	122.6
208	P	33.7	Very low	33.7	Very low	124 Å²	124	138.5 Å²	138.5	81%	0.805	77%	0.768	S	S	*	*			trans	-121.8	143.2	164.9	38.6	-27	0	0	0	115.4
209	S	30.7	Very low	33.6	Very low	120 Å²	120	137.2 Å²	137.2	84%	0.839	77%	0.765	S	S	*	*			trans	-164.3	151.7	159.3	-84.4	0	0	0	0	107.7
210	P	39.2	Very low	33.2	Very low	111 Å²	111	134.4 Å²	134.4	72%	0.721	77%	0.765	S	S	*	*			cis	-141.7	173.8	30.9	43	-25	0	0	0	117.8
211	S	32.9	Very low	32.8	Very low	106 Å²	106	135.1 Å²	135.1	74%	0.741	77%	0.768	S	S	*	*			trans	52	118.9	142.4	-61.3	0	0	0	0	123.6
212	S	33.1	Very low	32.5	Very low	119 Å²	119	136.7 Å²	136.7	83%	0.832	78%	0.784	S	S	*	*			trans	68.4	110.2	143.1	61.5	0	0	0	0	120
213	Q	28.6	Very low	32.1	Very low	158 Å²	158	133.5 Å²	133.5	74%	0.738	78%	0.778	S	S	*	*			trans	-150.8	132.2	165.4	-121.7	-171.8	24.3	0	0	110.3
214	Y	29.6	Very low	31.8	Very low	201 Å²	201	133.8 Å²	133.8	79%	0.788	78%	0.78	S	S	*	*			trans	60.7	166.4	167.7	-54.4	-65.6	0	0	0	116.4
215	S	28.4	Very low	31.6	Very low	104 Å²	104	136.1 Å²	136.1	73%	0.727	79%	0.787	S	S	*	*			cis	-148.5	158.7	3.1	-153.6	0	0	0	0	113.3
216	S	29.4	Very low	31.6	Very low	117 Å²	117	137.1 Å²	137.1	82%	0.818	79%	0.787	S	S	*	*			trans	30.9	130	143.9	-167.2	0	0	0	0	121.6
217	G	27.4	Very low	31.5	Very low	60 Å²	60	136.5 Å²	136.5	62%	0.619	78%	0.783	S	S	*	*			trans	158.7	125.6	137.7	0	0	0	0	0	119.3
218	Y	32.6	Very low	31.4	Very low	239 Å²	239	132.9 Å²	132.9	94%	0.937	78%	0.779	S	S	*	*			trans	74.5	156.1	145.7	-80.2	-87.1	0	0	0	122.9
219	V	26.6	Very low	31.9	Very low	130 Å²	130	131.8 Å²	131.8	79%	0.788	77%	0.772	S	S	*	*			trans	-114.1	140.8	-176.7	173.9	0	0	0	0	108.1
220	S	29.3	Very low	32.1	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	77%	0.77	S	S	*	*			trans	-179.9	162.5	140.9	-82.5	0	0	0	0	112.2
221	E	28.7	Very low	31.9	Very low	175 Å²	175	132.9 Å²	132.9	82%	0.818	77%	0.77	S	S	*	*			trans	-74	163.2	176.5	-62.2	156.4	103	0	0	112.7
222	V	34	Very low	32	Very low	147 Å²	147	135.9 Å²	135.9	89%	0.891	78%	0.777	S	S	*	*			trans	-128.4	130.2	160.8	-178	0	0	0	0	108.7
223	T	31.9	Very low	32.2	Very low	96 Å²	96	133.4 Å²	133.4	59%	0.589	77%	0.771	S	S	*	*			trans	-114.9	170.1	-172.5	47.8	0	0	0	0	112.5
224	N	30	Very low	32.4	Very low	138 Å²	138	132.3 Å²	132.3	74%	0.738	78%	0.775	S	S	*	*			trans	72.8	116.1	159.1	-53.8	-43.1	0	0	0	119.8
225	L	35.5	Very low	32.8	Very low	164 Å²	164	127.6 Å²	127.6	86%	0.859	77%	0.769	S	S	*	*				-167.3	150.5	121.5	-73.7	-163.8	0	0	0	108
226	L	31.4	Very low	33.1	Very low	148 Å²	148	130.5 Å²	130.5	78%	0.775	77%	0.771	S	S	*	*			cis	-163.8	155.3	-36.5	-160.1	70.9	0	0	0	108.7
227	S	33.9	Very low	33.4	Very low	100 Å²	100	131 Å²	131	70%	0.699	77%	0.768	S	S	*	*			trans	67.3	96.2	159.2	-58.7	0	0	0	0	122.9
228	S	33.1	Very low	33.6	Very low	116 Å²	116	133.2 Å²	133.2	81%	0.811	77%	0.77	S	S	*	*				27.8	163.3	100.3	-68.7	0	0	0	0	122.8
229	P	44	Very low	33.6	Very low	101 Å²	101	130.1 Å²	130.1	66%	0.656	76%	0.764	S	S	*	*			cis	-142.7	-164.8	-15.5	33.7	-9.9	0	0	0	116.1
230	N	35.6	Very low	33.9	Very low	151 Å²	151	133.5 Å²	133.5	81%	0.807	77%	0.768	S	S	*	*			trans	78.7	141.1	160.3	-57.3	-22.6	0	0	0	117.4
231	S	34.4	Very low	33.8	Very low	104 Å²	104	135.1 Å²	135.1	73%	0.727	77%	0.768	S	S	*	*			cis	-167.8	-171.9	-17.2	-153.1	0	0	0	0	106.8
232	L	35.1	Very low	33.9	Very low	168 Å²	168	134.9 Å²	134.9	88%	0.88	77%	0.772	S	S	*	*			cis	-161.9	156.8	6	177.8	60.7	0	0	0	108.8
233	G	37.4	Very low	33.5	Very low	68 Å²	68	136.5 Å²	136.5	70%	0.701	77%	0.77	S	S	*	*			trans	122.9	119.8	157.7	0	0	0	0	0	116.7
234	T	32.8	Very low	33.3	Very low	135 Å²	135	136.9 Å²	136.9	83%	0.828	78%	0.777	S	S	*	*			trans	-142.6	-179	-172.8	54.6	0	0	0	0	110.8
235	P	37.2	Very low	33.2	Very low	101 Å²	101	139.6 Å²	139.6	66%	0.656	78%	0.782	S	S	*	*			cis	-109.7	-151	-18.2	35	-16.7	0	0	0	109.5
236	E	34.8	Very low	32.8	Very low	166 Å²	166	138 Å²	138	78%	0.776	78%	0.779	S	S	*	*			cis	-151.2	-166.6	0.1	-149.8	107.3	68.7	0	0	106.3
237	V	36	Very low	32.6	Very low	126 Å²	126	136.4 Å²	136.4	76%	0.764	78%	0.78	S	S	*	*			cis	-141.1	154.4	16.5	-177.2	0	0	0	0	111
238	V	32.2	Very low	32.3	Very low	108 Å²	108	138.4 Å²	138.4	66%	0.655	79%	0.788	S	S	*	*			trans	-27.9	143.5	156.5	-175.8	0	0	0	0	115.5
239	E	32.8	Very low	32.1	Very low	173 Å²	173	138.7 Å²	138.7	81%	0.808	79%	0.787	S	S	*	*			cis	-146.3	121	10	-134.3	144.7	-134.8	0	0	108.4
240	K	32.4	Very low	31.3	Very low	202 Å²	202	141.7 Å²	141.7	88%	0.878	80%	0.798	S	S	*	*				68	109.6	75.9	-85.9	-169.9	174.6	-179.8	0	118.2
241	N	27.1	Very low	31.1	Very low	151 Å²	151	143.7 Å²	143.7	81%	0.807	80%	0.799	S	S	*	*			trans	-77.9	173.2	161.7	-54.6	-33.9	0	0	0	111.6
242	N	30.4	Very low	30.9	Very low	169 Å²	169	145.7 Å²	145.7	90%	0.904	80%	0.797	S	S	*	*			trans	-163.3	158.6	132.8	-101.8	-10.6	0	0	0	112.4
243	E	26.6	Very low	30.9	Very low	181 Å²	181	146.3 Å²	146.3	85%	0.846	80%	0.795	S	S	*	*			trans	-112.7	-175.5	-172.2	-56.6	179.7	112.6	0	0	112.9
244	S	27.3	Very low	30.6	Very low	105 Å²	105	148.6 Å²	148.6	73%	0.734	79%	0.791	S	S	*	*			trans	70.4	144.8	176.9	74.9	0	0	0	0	114.9
245	F	27.6	Very low	30.6	Very low	194 Å²	194	147.6 Å²	147.6	85%	0.851	79%	0.785	S	S	*	*			cis	-139.3	161.6	36	-110.3	-98.5	0	0	0	114.9
246	V	26.1	Very low	30.4	Very low	131 Å²	131	151.1 Å²	151.1	79%	0.794	79%	0.792	S	S	*	*			trans	-92.9	132.6	165.9	172.7	0	0	0	0	109.9
247	S	27.8	Very low	30.2	Very low	115 Å²	115	149.3 Å²	149.3	80%	0.804	79%	0.788	S	S	*	*			trans	-168	119.6	154	-86.2	0	0	0	0	112.9
248	T	26.7	Very low	30.1	Very low	141 Å²	141	151.8 Å²	151.8	87%	0.865	80%	0.795	S	S	*	*			trans	-97	137.6	160.6	47.1	0	0	0	0	110.6
249	P	30.3	Very low	30.1	Very low	122 Å²	122	151.2 Å²	151.2	79%	0.792	79%	0.792	S	S	*	*			trans	-117.5	133.1	154.3	34	-23.8	0	0	0	112.2
250	N	26.5	Very low	30.2	Very low	165 Å²	165	149 Å²	149	88%	0.882	79%	0.791	S	S	*	*			trans	-75.2	144.3	160	-88.3	-49.3	0	0	0	109.8
251	K	31.6	Very low	30.2	Very low	192 Å²	192	145 Å²	145	84%	0.835	79%	0.786	S	S	*	*				174	142.5	118.2	-93.3	178.8	179.6	-177.2	0	112.5
252	H	29.4	Very low	30.4	Very low	147 Å²	147	144.6 Å²	144.6	68%	0.681	78%	0.782	S	S	*	*			trans	19.9	126.2	154.3	-63.9	-97.6	0	0	0	120.4
253	H	36.1	Very low	30.5	Very low	180 Å²	180	144.3 Å²	144.3	83%	0.833	78%	0.78	S	S	*	*				-152.6	153.8	95.8	-106.2	-53.4	0	0	0	114.8
254	D	31.4	Very low	30.7	Very low	117 Å²	117	144 Å²	144	63%	0.626	78%	0.776	S	S	*	*			trans	-65.2	173.1	171.7	-37.5	-94.8	0	0	0	111.3
255	V	32	Very low	31	Very low	114 Å²	114	144.6 Å²	144.6	69%	0.691	78%	0.781	S	S	*	*			cis	-153.6	157.2	-1.1	95.5	0	0	0	0	105.9
256	E	32.7	Very low	31.2	Very low	174 Å²	174	142.2 Å²	142.2	81%	0.813	78%	0.777	S	S	*	*				178.7	113.8	83	-161.5	165.4	-151.4	0	0	106.7
257	L	30.8	Very low	31.6	Very low	129 Å²	129	144.7 Å²	144.7	68%	0.675	78%	0.78	S	S	*	*				58.5	106	84.3	-87.1	172.1	0	0	0	117.2	T259	L257-T259 HydrophobicContact CD2-CG2 4.02Å
258	L	33.6	Very low	31.8	Very low	177 Å²	177	144.3 Å²	144.3	93%	0.927	78%	0.775	S	S	*	*			trans	-152.9	125.6	132.2	-114.4	166.7	0	0	0	110.1
259	T	32.3	Very low	31.8	Very low	97 Å²	97	147 Å²	147	60%	0.595	78%	0.775	S	S	*	*			trans	-115.6	155.7	-171	45.8	0	0	0	0	110.7	L257	L257-T259 HydrophobicContact CD2-CG2 4.02Å
260	T	34.5	Very low	32	Very low	125 Å²	125	148.3 Å²	148.3	77%	0.767	78%	0.775	S	S	*	*				160.9	175.6	94.4	43.4	0	0	0	0	108.5
261	P	33.9	Very low	32.2	Very low	120 Å²	120	147.3 Å²	147.3	78%	0.779	77%	0.77	S	S	*	*			cis	-129.8	-175.8	-46	37.2	-21.6	0	0	0	112.7
262	I	30.1	Very low	32.1	Very low	142 Å²	142	141.7 Å²	141.7	73%	0.728	77%	0.766	S	S	*	*			trans	-90.5	154.2	178.5	-64.4	153.7	0	0	0	111	K264	I262-K264 HydrophobicContact CG2-CG 4.1Å
263	N	33.9	Very low	32.3	Very low	163 Å²	163	139.7 Å²	139.7	87%	0.872	77%	0.768	S	S	*	*			trans	-138.1	155.4	143.1	-149.7	-11.7	0	0	0	112
264	K	29	Very low	32.2	Very low	173 Å²	173	141.5 Å²	141.5	75%	0.752	77%	0.773	S	S	*	*			trans	-121.5	149.9	-171.5	-64	175.7	-179.3	172.1	0	111.6	I262	I262-K264 HydrophobicContact CG2-CG 4.1Å
265	S	34.9	Very low	32.6	Very low	119 Å²	119	144.5 Å²	144.5	83%	0.832	78%	0.781	S	S	*	*			trans	-149.7	163.8	147.6	-163.5	0	0	0	0	110.3
266	N	30.6	Very low	33	Very low	144 Å²	144	146.6 Å²	146.6	77%	0.77	79%	0.786	S	S	*	*			trans	-126.8	168.3	-167.7	-79.7	-40.9	0	0	0	112.7
267	Q	34.5	Very low	33.7	Very low	182 Å²	182	143.5 Å²	143.5	85%	0.85	78%	0.782	S	S	*	*			trans	77.1	157.4	164.2	-56.1	-157.4	11.2	0	0	117.5
268	P	32.4	Very low	34.9	Very low	108 Å²	108	142.9 Å²	142.9	70%	0.701	79%	0.785	S	S	*	*			cis	-133	-170.8	-46	37.9	-23	0	0	0	112.9
269	F	28	Very low	35.7	Very low	198 Å²	198	140 Å²	140	87%	0.868	78%	0.777	S	S	*	*			trans	-45.1	140.3	177.2	-64.6	-99.4	0	0	0	116.1
270	D	34	Very low	37.1	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	78%	0.784	S	S	*	*				-149.4	-179.7	122.9	-149.1	-14	0	0	0	111.5
271	N	30.7	Very low	38.7	Very low	144 Å²	144	140.4 Å²	140.4	77%	0.77	78%	0.784	S	S	*	*			trans	-109.9	146.7	-158.3	-63.1	-93.9	0	0	0	113.5
272	G	30	Very low	40.4	Very low	74 Å²	74	140.3 Å²	140.3	76%	0.763	78%	0.783	S	S	*	*			trans	127.6	148.5	139.8	0	0	0	0	0	119.1
273	C	32.1	Very low	42.2	Very low	105 Å²	105	139 Å²	139	71%	0.709	78%	0.784	S	S	*	*			trans	58.1	88.1	158.8	-153.5	0	0	0	0	118.7	K275	C273-K275 PolarHBondContact O-N 3.48Å
274	F	33.6	Very low	44.1	Very low	217 Å²	217	136.8 Å²	136.8	95%	0.952	78%	0.778	S	S	*	*			trans	-63.8	93.6	156.7	-81.6	-85	0	0	0	110.8
275	K	41.6	Very low	46.1	Very low	180 Å²	180	134 Å²	134	78%	0.783	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-75.5	127.8	166.2	-70.4	-177.9	178.8	175.5	0	109.6	C273	C273-K275 PolarHBondContact O-N 3.48Å
276	I	40	Very low	47.5	Very low	158 Å²	158	134 Å²	134	81%	0.81	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-74.5	129.6	174.8	-58.3	172.1	0	0	0	107.9
277	P	47.3	Very low	49.3	Very low	110 Å²	110	132.7 Å²	132.7	71%	0.714	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-67.3	147.8	177.7	27.9	-34.5	0	0	0	111.5
278	P	55.1	Low	51	Low	116 Å²	116	129.5 Å²	129.5	75%	0.753	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-67.7	155	178.8	29.4	-35.2	0	0	0	111.9
279	P	50.3	Low	52.4	Low	116 Å²	116	129.8 Å²	129.8	75%	0.753	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-66.7	151.1	174.5	29.8	-35.2	0	0	0	111.4
280	P	63.3	Low	54.2	Low	114 Å²	114	125.8 Å²	125.8	74%	0.74	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-65.9	152	176.9	28.6	-35.3	0	0	0	111.8
281	P	67.7	Low	55.3	Low	117 Å²	117	127.3 Å²	127.3	76%	0.76	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-66.2	155.2	178.6	28.6	-35.4	0	0	0	112.2
282	P	68.9	Low	56.6	Low	117 Å²	117	130.2 Å²	130.2	76%	0.76	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-66.1	151.4	175.8	29.3	-35.3	0	0	0	111.7
283	P	69	Low	57.6	Low	116 Å²	116	137.8 Å²	137.8	75%	0.753	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-66.5	150.9	176.5	29.2	-35.3	0	0	0	111.7
284	P	72.4	Confident	57.9	Low	115 Å²	115	138.8 Å²	138.8	75%	0.747	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-65.5	153.8	177.4	28.4	-35.3	0	0	0	112
285	P	70.6	Confident	58.3	Low	116 Å²	116	136.6 Å²	136.6	75%	0.753	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-66.2	151.3	177.2	29	-35.3	0	0	0	111.8
286	P	64.9	Low	58.3	Low	117 Å²	117	133.9 Å²	133.9	76%	0.76	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-67.2	148.4	176.9	29.3	-35.1	0	0	0	111.5
287	P	69.8	Low	58.2	Low	117 Å²	117	131.2 Å²	131.2	76%	0.76	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-65.8	151.2	176.4	28.5	-35	0	0	0	111.7
288	P	68.6	Low	57.7	Low	115 Å²	115	130.9 Å²	130.9	75%	0.747	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-67.1	150.3	179.5	28.7	-35.3	0	0	0	111.9
289	P	62.4	Low	57.1	Low	115 Å²	115	130.8 Å²	130.8	75%	0.747	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-66.7	140.2	178.2	28.3	-34.5	0	0	0	111.2	M291	P289-M291 PolarHBondContact O-N 3.37Å
290	P	64.9	Low	56.3	Low	113 Å²	113	133.6 Å²	133.6	73%	0.734	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-67.5	133.1	178.7	27.8	-34.2	0	0	0	111	F292	P290-F292 PolarHBondContact O-N 3.29Å
291	M	58	Low	55	Low	182 Å²	182	133.4 Å²	133.4	90%	0.897	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-70	124.3	176.4	-67.8	-159.7	-64.3	0	0	111.1	P289 R293	P289-M291 PolarHBondContact O-N 3.37Å; M291-R293 PolarHBondContact O-N 3.08Å
292	F	58.7	Low	53.7	Low	204 Å²	204	135.5 Å²	135.5	90%	0.895	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-65	117.9	169.4	-84.6	-98.9	0	0	0	110.3	P290	P290-F292 PolarHBondContact O-N 3.29Å
293	R	51.4	Low	52	Low	233 Å²	233	134.2 Å²	134.2	88%	0.879	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-98	126	155.8	-76.7	-175.9	171.3	-177.8	-2.6	108.2	M291	M291-R293 PolarHBondContact O-N 3.08Å
294	P	37.9	Very low	50.4	Low	127 Å²	127	134.3 Å²	134.3	83%	0.825	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-73.5	126.9	169.4	30.6	-31.6	0	0	0	109
295	L	41.1	Very low	48.7	Very low	171 Å²	171	135.2 Å²	135.2	90%	0.895	80%	0.804	S	S	*	*			trans	-135.8	152.8	162.6	-140.2	78	0	0	0	109.6
296	T	42.3	Very low	47.1	Very low	122 Å²	122	136 Å²	136	75%	0.748	81%	0.806	S	S	*	*			trans	-97.3	170.8	-161.2	51	0	0	0	0	113.6
297	S	38.1	Very low	45.9	Very low	103 Å²	103	135.9 Å²	135.9	72%	0.72	81%	0.806	S	S	*	*			trans	63.1	114.9	150.6	51.4	0	0	0	0	119.4
298	A	36.4	Very low	44.9	Very low	102 Å²	102	136 Å²	136	84%	0.843	80%	0.796	S	S	*	*			trans	59.8	93.4	136.9	0	0	0	0	0	119.5
299	S	41.8	Very low	44.2	Very low	114 Å²	114	134 Å²	134	80%	0.797	79%	0.785	S	S	*	*				-151.8	138.5	129.9	42.5	0	0	0	0	110.5	S301	S299-S301 PolarHBondContact O-N 2.95Å
300	N	33.8	Very low	44.2	Very low	175 Å²	175	134.1 Å²	134.1	94%	0.936	79%	0.785	S	S	*	*			trans	-74.4	121.6	172.6	-72.7	-30.8	0	0	0	108.7
301	S	36.4	Very low	44.3	Very low	110 Å²	110	130.6 Å²	130.6	77%	0.769	76%	0.76	S	S	*	*			trans	-138.3	134.8	170.6	-170	0	0	0	0	109.8	S299 A303	S299-S301 PolarHBondContact O-N 2.95Å; S301-A303 PolarHBondContact O-N 3.36Å
302	L	39.9	Very low	44.6	Very low	162 Å²	162	123.1 Å²	123.1	85%	0.848	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-71.5	125.4	-176.7	-70.8	79.7	0	0	0	109.1
303	A	34.6	Very low	45.3	Very low	90 Å²	90	118.5 Å²	118.5	74%	0.744	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-60.7	123.5	172.8	0	0	0	0	0	109.5	S301 T305	S301-A303 PolarHBondContact O-N 3.36Å; A303-T305 PolarHBondContact O-N 2.85Å
304	P	34.5	Very low	46.1	Very low	117 Å²	117	115.2 Å²	115.2	76%	0.76	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-66.8	128	-175.8	25.9	-33.7	0	0	0	110.2	V306	P304-V306 PolarHBondContact O-N 3.09Å
305	T	35.8	Very low	47.8	Very low	135 Å²	135	109.9 Å²	109.9	83%	0.828	67%	0.666	S	S	*	*			trans	-62.1	109.4	170.5	46.1	0	0	0	0	109.1	A303 P307	A303-T305 PolarHBondContact O-N 2.85Å; T305-P307 VanDerWaalsContact O-N 3.14Å
306	V	38.9	Very low	49.2	Very low	132 Å²	132	107.8 Å²	107.8	80%	0.8	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-53.4	120	174.2	178	0	0	0	0	108.2	P304 E308	P304-V306 PolarHBondContact O-N 3.09Å; V306-E308 PolarHBondContact O-N 3.06Å
307	P	37.9	Very low	50.7	Low	115 Å²	115	106.8 Å²	106.8	75%	0.747	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-59.8	128.1	-177.3	23.3	-32.8	0	0	0	109.3	T305 S309	T305-P307 VanDerWaalsContact O-N 3.14Å; P307-S309 PolarHBondContact O-N 3.38Å
308	E	49	Very low	52.7	Low	120 Å²	120	102.6 Å²	102.6	56%	0.561	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-64.1	122.3	-177.2	175.4	144.8	-137.3	0	0	109.5	V306 P310 K635	V306-E308 PolarHBondContact O-N 3.06Å; E308-P310 VanDerWaalsContact O-N 3.17Å; E308-K635 IonicContact OE1-NZ 3.69Å; E308-K635 PolarHBondContact OE1-NZ 2.73Å
309	S	54	Low	54.8	Low	72 Å²	72	101.2 Å²	101.2	50%	0.503	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-51.9	126.1	174.9	55.4	0	0	0	0	108.8	P307 K337	P307-S309 PolarHBondContact O-N 3.38Å; S309-K337 PolarHBondContact O-NZ 3.26Å; S309-K337 PolarHBondContact OG-NZ 3.24Å; S309-K337 VanDerWaalsContact OG-NZ 3.17Å
310	P	62.2	Low	56.6	Low	117 Å²	117	100.9 Å²	100.9	76%	0.76	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-55.1	152.2	-174.6	18.4	-30.4	0	0	0	110.8	E308 K337	E308-P310 VanDerWaalsContact O-N 3.17Å; P310-K337 PolarHBondContact O-NZ 3.25Å
311	M	66.9	Low	58.9	Low	40 Å²	40	93.4 Å²	93.4	20%	0.197	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-67.4	133.4	178.2	-143	62.2	66.4	0	0	108.5	Y313 M315 P317 L638	M311-Y313 PolarHBondContact O-N 3.31Å; M311-M315 HydrophobicContact CB-CB 4.23Å; M311-M315 WeakPolarHBondContact CB-O 3.26Å; M311-M315 HydrophobicContact CG-CB 3.63Å; M311-M315 VanDerWaalsContact CG-O 3.3Å; M311-M315 WeakPolarHBondContact CG-O 3.47Å; M311-P317 HydrophobicContact CE-CB 4.15Å; M311-P317 HydrophobicContact CE-CG 4.13Å; M311-L638 HydrophobicContact SD-CD2 3.95Å
312	P	65.4	Low	61.1	Low	25 Å²	25	90.7 Å²	90.7	16%	0.162	52%	0.521	C	S	.	.	G	3₁₀ helix	trans	-57.8	140.5	176.5	25.2	-35.1	0	0	0	110.1	N314 M315 K337	P312-N314 VanDerWaalsContact C-N 3.33Å; P312-N314 PolarHBondContact O-N 3.08Å; P312-M315 HydrophobicContact CG-SD 4.47Å; P312-M315 WeakPolarHBondContact O-CG 3.31Å; P312-M315 PolarHBondContact O-N 2.97Å; P312-K337 HydrophobicContact CG-CB 4.48Å; P312-K337 HydrophobicContact CG-CG 4.23Å
313	Y	73	Confident	63.1	Low	107 Å²	107	83 Å²	83	42%	0.42	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	53.3	42.4	170.8	-44.3	-65.8	0	0	0	114.8	M311 M315 K341 E342 V347	M311-Y313 PolarHBondContact O-N 3.31Å; Y313-M315 PolarHBondContact O-N 3.06Å; Y313-K341 VanDerWaalsContact CE2-C 3.45Å; Y313-E342 HydrophobicContact CD1-CB 3.58Å; Y313-E342 HydrophobicContact CD1-CG 3.71Å; Y313-E342 HydrophobicContact CD2-CB 4.4Å; Y313-E342 HydrophobicContact CE1-CB 3.6Å; Y313-E342 HydrophobicContact CE1-CG 4.17Å; Y313-E342 HydrophobicContact CE2-CB 4.43Å; Y313-E342 VanDerWaalsContact CE2-N 3.3Å; Y313-E342 HydrophobicContact CG-CB 4Å; Y313-E342 HydrophobicContact CG-CG 4.17Å; Y313-V347 HydrophobicContact CD2-CG2 4.04Å
314	N	68.6	Low	65.3	Low	163 Å²	163	82.2 Å²	82.2	87%	0.872	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	59.4	15.8	175.9	-57.8	-26.4	0	0	0	115.9	P312 K316	P312-N314 VanDerWaalsContact C-N 3.33Å; P312-N314 PolarHBondContact O-N 3.08Å; N314-K316 PolarHBondContact O-N 3.49Å
315	M	72.9	Confident	67.5	Low	15 Å²	15	82.5 Å²	82.5	7%	0.074	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-57.2	137.1	175.4	-68.1	178.6	70.9	0	0	112	M311 P312 Y313 L340 W346 V347 L638	M311-M315 HydrophobicContact CB-CB 4.23Å; M311-M315 WeakPolarHBondContact CB-O 3.26Å; M311-M315 HydrophobicContact CG-CB 3.63Å; M311-M315 VanDerWaalsContact CG-O 3.3Å; M311-M315 WeakPolarHBondContact CG-O 3.47Å; P312-M315 HydrophobicContact CG-SD 4.47Å; P312-M315 WeakPolarHBondContact O-CG 3.31Å; P312-M315 PolarHBondContact O-N 2.97Å; Y313-M315 PolarHBondContact O-N 3.06Å; M315-L340 HydrophobicContact SD-CD1 4.22Å; M315-W346 WeakPolarHBondContact CE-O 3.29Å; M315-V347 HydrophobicContact CG-CB 4.3Å; M315-V347 HydrophobicContact CG-CG1 3.93Å; M315-V347 HydrophobicContact CG-CG2 4.45Å; M315-V347 HydrophobicContact SD-CB 4.36Å; M315-V347 HydrophobicContact SD-CG2 4.04Å; M315-L638 HydrophobicContact CE-CB 4.43Å; M315-L638 HydrophobicContact CE-CD2 4.13Å
316	K	71.8	Confident	69.8	Low	128 Å²	128	85 Å²	85	56%	0.557	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-63.4	148.7	168.8	-62.2	178.7	-169.1	163.8	0	110.8	N314 K318 D350	N314-K316 PolarHBondContact O-N 3.49Å; K316-K318 PolarHBondContact O-N 3.01Å; K316-D350 WeakPolarHBondContact CD-OD2 3.35Å; K316-D350 WeakPolarHBondContact CE-OD2 3.4Å; K316-D350 IonicContact NZ-OD2 2.81Å; K316-D350 PolarHBondContact NZ-OD2 2.99Å
317	P	72.9	Confident	72.1	Confident	101 Å²	101	79.3 Å²	79.3	66%	0.656	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-58.7	120.6	166	-22.7	34.2	0	0	0	111.4	M311	M311-P317 HydrophobicContact CE-CB 4.15Å; M311-P317 HydrophobicContact CE-CG 4.13Å
318	K	80.2	Confident	74.4	Confident	14 Å²	14	77.1 Å²	77.1	6%	0.061	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-57.8	143.3	178.8	-64.2	-71	179	-170.6	0	111.5	K316 T320 I349 D351 L598 P636 L638	K316-K318 PolarHBondContact O-N 3.01Å; K318-T320 PolarHBondContact O-N 2.93Å; K318-I349 PolarHBondContact NZ-O 3.22Å; K318-D351 WeakPolarHBondContact CD-OD1 3.45Å; K318-D351 WeakPolarHBondContact CE-OD1 3.45Å; K318-D351 IonicContact NZ-OD1 2.82Å; K318-D351 PolarHBondContact NZ-OD1 3.5Å; K318-L598 HydrophobicContact CD-CD2 4.44Å; K318-P636 HydrophobicContact CB-CB 3.86Å; K318-P636 HydrophobicContact CB-CG 3.7Å; K318-P636 WeakPolarHBondContact O-CG 3.26Å; K318-L638 HydrophobicContact CG-CD2 3.83Å
319	R	80.4	Confident	76.2	Confident	73 Å²	73	76.5 Å²	76.5	28%	0.275	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-59.2	132.9	-178.1	-173.9	167.1	174.1	-165.9	-4.5	111.1	F321 S352 L355	R319-F321 HydrophobicContact CB-CE2 4.12Å; R319-F321 HydrophobicContact CB-CZ 4.13Å; R319-F321 HydrophobicContact CG-CE1 4.17Å; R319-F321 HydrophobicContact CG-CE2 4.12Å; R319-F321 HydrophobicContact CG-CZ 3.81Å; R319-S352 WeakPolarHBondContact CD-O 3.43Å; R319-S352 PolarHBondContact NH1-O 3.24Å; R319-L355 PolarHBondContact NH1-O 2.99Å; R319-L355 PolarHBondContact NH2-O 3.04Å
320	T	79.3	Confident	77.8	Confident	107 Å²	107	73.3 Å²	73.3	66%	0.656	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-97.2	138.5	175.5	62.4	0	0	0	0	110.7	K318 P636	K318-T320 PolarHBondContact O-N 2.93Å; T320-P636 HydrophobicContact CG2-CG 3.98Å
321	F	82.5	Confident	78.9	Confident	19 Å²	19	71.9 Å²	71.9	8%	0.083	36%	0.357	C	S	.	.			trans	-115.6	139.7	-177.2	-62.4	-85.9	0	0	0	110.7	R319 L355 V360 N602 A603 A606	R319-F321 HydrophobicContact CB-CE2 4.12Å; R319-F321 HydrophobicContact CB-CZ 4.13Å; R319-F321 HydrophobicContact CG-CE1 4.17Å; R319-F321 HydrophobicContact CG-CE2 4.12Å; R319-F321 HydrophobicContact CG-CZ 3.81Å; F321-L355 HydrophobicContact CE1-CD1 4.02Å; F321-L355 HydrophobicContact CE2-CD1 4.48Å; F321-L355 HydrophobicContact CZ-CD1 3.65Å; F321-V360 HydrophobicContact CD1-CG1 4.15Å; F321-V360 HydrophobicContact CD1-CG2 4.26Å; F321-V360 HydrophobicContact CE1-CG2 3.91Å; F321-N602 HydrophobicContact CD2-CB 4.12Å; F321-N602 HydrophobicContact CE2-CB 3.93Å; F321-A603 HydrophobicContact CD1-CB 4.23Å; F321-A603 HydrophobicContact CD2-CB 4.26Å; F321-A603 HydrophobicContact CE1-CB 4.29Å; F321-A603 HydrophobicContact CE2-CB 4.32Å; F321-A603 HydrophobicContact CG-CB 4.21Å; F321-A603 HydrophobicContact CZ-CB 4.34Å; F321-A606 HydrophobicContact CB-CB 3.8Å; F321-A606 WeakPolarHBondContact O-CB 3.39Å
322	S	81.9	Confident	80	Confident	53 Å²	53	70.8 Å²	70.8	37%	0.371	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.7	173.8	-175	0	0	0	0	109	H364 Q609	S322-H364 PolarHBondContact O-CE1 3.02Å; S322-Q609 VanDerWaalsContact OG-CB 3.31Å; S322-Q609 WeakPolarHBondContact OG-CB 3.36Å; S322-Q609 VanDerWaalsContact OG-CD 3.23Å; S322-Q609 WeakPolarHBondContact OG-CG 3.24Å
323	A	83.1	Confident	81.1	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.008	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.4	178.1	0	0	0	0	0	110.6	Y325 L327 A606 T607 R608	A323-Y325 WeakPolarHBondContact CB-O 3.31Å; A323-Y325 PolarHBondContact O-N 3.48Å; A323-L327 HydrophobicContact CB-CD1 3.86Å; A323-L327 HydrophobicContact CB-CG 4.03Å; A323-A606 HydrophobicContact CB-CB 4.15Å; A323-T607 PolarHBondContact N-O 3.35Å; A323-R608 VanDerWaalsContact O-CA 3.26Å; A323-R608 WeakPolarHBondContact O-CA 3.4Å; A323-R608 WeakPolarHBondContact O-CG 2.84Å
324	P	79.8	Confident	81.8	Confident	73 Å²	73	69 Å²	69	47%	0.474	36%	0.355	S	S	.	.	S	Bend	trans	-67.8	-27.7	174.2	23.7	-30.8	0	0	0	112.5	R608	P324-R608 PolarHBondContact O-NE 3.12Å
325	Y	81.7	Confident	82.7	Confident	123 Å²	123	61.9 Å²	61.9	48%	0.482	32%	0.317	S	S	.	.	S	Bend	trans	-110.8	163.3	-177	-49.6	-64.9	0	0	0	112.5	A323 L327	A323-Y325 WeakPolarHBondContact CB-O 3.31Å; A323-Y325 PolarHBondContact O-N 3.48Å; Y325-L327 PolarHBondContact O-N 3.37Å
326	R	84.3	Confident	83.1	Confident	187 Å²	187	63.3 Å²	63.3	71%	0.706	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-74.2	122.9	165.9	-70.1	177.9	63.1	174	-1.6	109.3	I369	R326-I369 HydrophobicContact CB-CD1 4.44Å; R326-I369 PolarHBondContact O-N 3.45Å
327	L	85.5	Confident	83.6	Confident	13 Å²	13	60.5 Å²	60.5	7%	0.068	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-95.6	154.1	178.4	-54	-178	0	0	0	112.1	A323 Y325 K329 H364 F367 I369 L604	A323-L327 HydrophobicContact CB-CD1 3.86Å; A323-L327 HydrophobicContact CB-CG 4.03Å; Y325-L327 PolarHBondContact O-N 3.37Å; L327-K329 PolarHBondContact O-N 3.4Å; L327-H364 HydrophobicContact CD1-CB 4.49Å; L327-H364 VanDerWaalsContact CD1-CD2 3.46Å; L327-H364 WeakPolarHBondContact CD1-CD2 3.37Å; L327-H364 HydrophobicContact CD2-CB 4.1Å; L327-H364 VanDerWaalsContact CD2-O 3.31Å; L327-H364 WeakPolarHBondContact CD2-O 3.49Å; L327-F367 CarbonylContact C-O 3.53Å; L327-I369 WeakPolarHBondContact O-CD1 3.39Å; L327-L604 HydrophobicContact CD1-CD2 4.2Å
328	K	87.2	Confident	83.9	Confident	69 Å²	69	60.7 Å²	60.7	30%	0.3	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-60.9	125.2	158.5	-71.7	177.3	169.9	-175.5	0	107.8	F367 I369 R652 D653	K328-F367 HydrophobicContact CB-CD1 4.38Å; K328-F367 WeakPolarHBondContact CB-O 3.34Å; K328-F367 HydrophobicContact CD-CD1 4.36Å; K328-F367 WeakPolarHBondContact CG-O 3.26Å; K328-F367 PolarHBondContact N-O 2.86Å; K328-I369 HydrophobicContact CG-CG1 4.21Å; K328-R652 WeakPolarHBondContact CD-O 3.42Å; K328-R652 PolarHBondContact NZ-O 3.48Å; K328-D653 PolarHBondContact NZ-O 3.25Å
329	K	87.2	Confident	84	Confident	106 Å²	106	64.9 Å²	64.9	46%	0.461	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-87.8	148.8	-179.5	-72.1	-170.7	174.6	-173.3	0	111.5	L327 N605	L327-K329 PolarHBondContact O-N 3.4Å; K329-N605 WeakPolarHBondContact CA-OD1 3.48Å; K329-N605 VanDerWaalsContact CB-OD1 3.25Å; K329-N605 WeakPolarHBondContact CB-OD1 3.46Å; K329-N605 WeakPolarHBondContact CG-OD1 3.23Å
330	V	87.6	Confident	84.1	Confident	6 Å²	6	61.7 Å²	61.7	4%	0.036	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-91.4	118	173.9	-159.4	0	0	0	0	108.7	V332 V601 L604 N605 L648 T651 L660	V330-V332 HydrophobicContact CG1-CG1 3.92Å; V330-V332 PolarHBondContact O-N 3.11Å; V330-V601 HydrophobicContact CB-CG2 4.21Å; V330-V601 HydrophobicContact CG1-CG2 4.07Å; V330-V601 HydrophobicContact CG2-CG2 4.4Å; V330-L604 HydrophobicContact CG2-CB 3.74Å; V330-L604 HydrophobicContact CG2-CD1 3.65Å; V330-L604 HydrophobicContact CG2-CG 4.33Å; V330-N605 PolarHBondContact N-OD1 2.89Å; V330-N605 VanDerWaalsContact N-OD1 3.14Å; V330-N605 PolarHBondContact O-ND2 2.82Å; V330-L648 HydrophobicContact CG1-CD2 3.76Å; V330-T651 HydrophobicContact CG2-CG2 4.35Å; V330-L660 HydrophobicContact CB-CD2 4.33Å; V330-L660 HydrophobicContact CG1-CD2 3.75Å; V330-L660 HydrophobicContact CG2-CD2 3.54Å
331	C	85.7	Confident	84.2	Confident	86 Å²	86	61.4 Å²	61.4	58%	0.581	31%	0.314	S	S	*	.			trans	-81.3	52.5	-170.8	-66.9	0	0	0	0	113.8	R647	C331-R647 VanDerWaalsContact O-CZ 3.27Å; C331-R647 PolarHBondContact O-NH1 3.3Å; C331-R647 PolarHBondContact O-NH2 3.24Å
332	V	88.4	Confident	84.2	Confident	18 Å²	18	66.8 Å²	66.8	11%	0.109	34%	0.339	C	S	.	.			trans	-83.3	157.1	177.3	-52.7	0	0	0	0	112.8	V330 P334 V601 F637 F640 N644 L648	V330-V332 HydrophobicContact CG1-CG1 3.92Å; V330-V332 PolarHBondContact O-N 3.11Å; V332-P334 WeakPolarHBondContact O-CD 3.23Å; V332-V601 HydrophobicContact CG1-CG1 4.44Å; V332-V601 HydrophobicContact CG1-CG2 4.01Å; V332-V601 HydrophobicContact CG2-CG1 3.75Å; V332-F637 HydrophobicContact CG2-CD2 3.89Å; V332-F637 HydrophobicContact CG2-CE2 3.68Å; V332-F640 HydrophobicContact CB-CB 4.02Å; V332-F640 HydrophobicContact CB-CG 4.33Å; V332-F640 HydrophobicContact CG1-CG 4.48Å; V332-F640 HydrophobicContact CG2-CB 3.93Å; V332-F640 HydrophobicContact CG2-CG 4.45Å; V332-N644 HydrophobicContact CB-CB 4.04Å; V332-N644 HydrophobicContact CG1-CB 3.98Å; V332-L648 HydrophobicContact CG1-CD2 4.47Å
333	S	89.3	Confident	84.3	Confident	36 Å²	36	67.3 Å²	67.3	25%	0.252	34%	0.338	S	S	.	.			trans	-83.6	112.1	164.6	-44.6	0	0	0	0	110.1	F640 E641 N644	S333-F640 CarbonylContact O-C 3.59Å; S333-F640 WeakPolarHBondContact O-CA 3.33Å; S333-F640 VanDerWaalsContact O-CB 3.28Å; S333-F640 WeakPolarHBondContact O-CB 3.26Å; S333-E641 WeakPolarHBondContact CB-OE2 3.18Å; S333-E641 PolarHBondContact O-N 3.43Å; S333-E641 PolarHBondContact OG-OE2 3.38Å; S333-N644 PolarHBondContact N-ND2 3.02Å; S333-N644 VanDerWaalsContact N-ND2 3.2Å; S333-N644 PolarHBondContact OG-ND2 3.35Å
334	P	87.8	Confident	84.5	Confident	59 Å²	59	67.3 Å²	67.3	38%	0.383	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-73.2	146	176.3	30.4	-35	0	0	0	111.7	V332 R339 F637	V332-P334 WeakPolarHBondContact O-CD 3.23Å; P334-R339 PolarHBondContact O-NH2 3.45Å; P334-F637 HydrophobicContact CB-CD1 3.74Å; P334-F637 HydrophobicContact CB-CD2 4.03Å; P334-F637 HydrophobicContact CB-CE1 3.85Å; P334-F637 HydrophobicContact CB-CE2 4.14Å; P334-F637 HydrophobicContact CB-CG 3.84Å; P334-F637 HydrophobicContact CB-CZ 4.05Å; P334-F637 HydrophobicContact CG-CE1 4.19Å; P334-F637 HydrophobicContact CG-CZ 4.21Å
335	L	86.7	Confident	84.9	Confident	12 Å²	12	63.8 Å²	63.8	6%	0.063	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-80.7	137.4	172.4	-65.1	174.7	0	0	0	111	L340 W346 G639 E641 A786	L335-L340 HydrophobicContact CB-CD2 4.4Å; L335-L340 HydrophobicContact CD1-CD2 3.94Å; L335-W346 VanDerWaalsContact CD1-CD1 3.41Å; L335-W346 HydrophobicContact CD1-CD2 4.26Å; L335-W346 HydrophobicContact CD1-CG 4Å; L335-W346 VanDerWaalsContact CD1-NE1 3.33Å; L335-G639 PolarHBondContact N-O 3.14Å; L335-E641 HydrophobicContact CD2-CG 3.96Å; L335-A786 HydrophobicContact CD1-CB 3.88Å; L335-A786 HydrophobicContact CD2-CB 4.45Å
336	S	82.1	Confident	85.3	Confident	46 Å²	46	58 Å²	58	32%	0.322	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-80	148.8	170.1	58.2	0	0	0	0	110.6	S338 R339	S336-S338 PolarHBondContact O-N 3.38Å; S336-S338 PolarHBondContact OG-OG 3.16Å; S336-R339 PolarHBondContact O-N 3.09Å
337	K	80.9	Confident	85.3	Confident	68 Å²	68	50.1 Å²	50.1	30%	0.296	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-46.8	-35.6	172.8	-79.8	-171.5	171.3	-166.8	0	112.4	S309 P310 P312 R339 L340 L638	S309-K337 PolarHBondContact O-NZ 3.26Å; S309-K337 PolarHBondContact OG-NZ 3.24Å; S309-K337 VanDerWaalsContact OG-NZ 3.17Å; P310-K337 PolarHBondContact O-NZ 3.25Å; P312-K337 HydrophobicContact CG-CB 4.48Å; P312-K337 HydrophobicContact CG-CG 4.23Å; K337-R339 PolarHBondContact O-N 3.16Å; K337-L340 PolarHBondContact O-N 3.39Å; K337-L638 HydrophobicContact CG-CD1 3.66Å
338	S	80.9	Confident	85.1	Confident	106 Å²	106	56.3 Å²	56.3	74%	0.741	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-73.1	-12	179.7	54.7	0	0	0	0	116.6	S336	S336-S338 PolarHBondContact O-N 3.38Å; S336-S338 PolarHBondContact OG-OG 3.16Å
339	R	81.9	Confident	84.9	Confident	101 Å²	101	53.5 Å²	53.5	38%	0.381	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-95.3	-14.3	173.7	-75.2	-157.5	-67.3	-103.2	14.7	113.2	P334 S336 K337 E641	P334-R339 PolarHBondContact O-NH2 3.45Å; S336-R339 PolarHBondContact O-N 3.09Å; K337-R339 PolarHBondContact O-N 3.16Å; R339-E641 IonicContact CZ-OE1 3.22Å; R339-E641 IonicContact NH2-OE1 3.73Å; R339-E641 PolarHBondContact NH2-OE1 2.99Å
340	L	82.2	Confident	84.5	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.037	27%	0.27	C	S	.	.			trans	-77.2	136.2	176.9	-60.1	-179	0	0	0	109.9	M315 L335 K337 W346 L638 A786	M315-L340 HydrophobicContact SD-CD1 4.22Å; L335-L340 HydrophobicContact CB-CD2 4.4Å; L335-L340 HydrophobicContact CD1-CD2 3.94Å; K337-L340 PolarHBondContact O-N 3.39Å; L340-W346 HydrophobicContact CD2-CB 3.85Å; L340-W346 HydrophobicContact CD2-CG 4.18Å; L340-L638 HydrophobicContact CD1-CB 4.03Å; L340-L638 HydrophobicContact CD1-CD1 3.96Å; L340-A786 HydrophobicContact CD2-CB 4.25Å
341	K	82.3	Confident	84.1	Confident	100 Å²	100	51.1 Å²	51.1	44%	0.435	27%	0.269	S	S	.	.			trans	-109.4	159.2	167.2	-69.1	-178.1	174.2	-178.3	0	108.8	Y313 N343 S344 V347 N783	Y313-K341 VanDerWaalsContact CE2-C 3.45Å; K341-N343 WeakPolarHBondContact CB-OD1 3.41Å; K341-N343 PolarHBondContact O-N 3.44Å; K341-S344 WeakPolarHBondContact O-CB 3.39Å; K341-S344 PolarHBondContact O-N 3.4Å; K341-V347 WeakPolarHBondContact O-CG2 3.48Å; K341-N783 HydrophobicContact CD-CB 4.14Å; K341-N783 WeakPolarHBondContact CE-OD1 3.37Å; K341-N783 PolarHBondContact NZ-OD1 2.92Å
342	E	81.5	Confident	83.5	Confident	132 Å²	132	48.1 Å²	48.1	62%	0.617	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-40.8	179.5	-170.9	171.3	-172	0	0	112.9	Y313 S344 Y348	Y313-E342 HydrophobicContact CD1-CB 3.58Å; Y313-E342 HydrophobicContact CD1-CG 3.71Å; Y313-E342 HydrophobicContact CD2-CB 4.4Å; Y313-E342 HydrophobicContact CE1-CB 3.6Å; Y313-E342 HydrophobicContact CE1-CG 4.17Å; Y313-E342 HydrophobicContact CE2-CB 4.43Å; Y313-E342 VanDerWaalsContact CE2-N 3.3Å; Y313-E342 HydrophobicContact CG-CB 4Å; Y313-E342 HydrophobicContact CG-CG 4.17Å; E342-S344 VanDerWaalsContact C-N 3.27Å; E342-S344 PolarHBondContact O-N 3.13Å; E342-Y348 PolarHBondContact O-OH 3.26Å
343	N	83.4	Confident	83	Confident	65 Å²	65	53.8 Å²	53.8	35%	0.348	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	17.8	179	69.5	-16.7	0	0	0	114.4	K341 Y784	K341-N343 WeakPolarHBondContact CB-OD1 3.41Å; K341-N343 PolarHBondContact O-N 3.44Å; N343-Y784 WeakPolarHBondContact O-CD2 3.34Å
344	S	88.4	Confident	82.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.			trans	-84.7	140.3	-179.3	-173.5	0	0	0	0	112.3	K341 E342 W346 V347 Y348 Y784	K341-S344 WeakPolarHBondContact O-CB 3.39Å; K341-S344 PolarHBondContact O-N 3.4Å; E342-S344 VanDerWaalsContact C-N 3.27Å; E342-S344 PolarHBondContact O-N 3.13Å; S344-W346 PolarHBondContact O-N 3.32Å; S344-W346 VanDerWaalsContact O-N 3.08Å; S344-V347 WeakPolarHBondContact O-CB 3.45Å; S344-V347 PolarHBondContact O-N 2.91Å; S344-Y348 WeakPolarHBondContact O-CD2 3.45Å; S344-Y784 CarbonylContact C-O 3.4Å; S344-Y784 WeakPolarHBondContact CA-O 2.88Å; S344-Y784 WeakPolarHBondContact CB-O 3.05Å; S344-Y784 PolarHBondContact OG-O 2.61Å
345	V	88.9	Confident	82.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-49.8	-37.3	177.3	71.2	0	0	0	0	112.5	V347 Y348 I349 C591 L594 Y784 L785	V345-V347 PolarHBondContact O-N 2.91Å; V345-Y348 PolarHBondContact O-N 2.83Å; V345-Y348 VanDerWaalsContact O-N 3.16Å; V345-I349 HydrophobicContact CG2-CD1 3.99Å; V345-I349 HydrophobicContact CG2-CG1 4.43Å; V345-I349 WeakPolarHBondContact O-CG1 3.26Å; V345-I349 PolarHBondContact O-N 3.19Å; V345-I349 VanDerWaalsContact O-N 3.1Å; V345-C591 HydrophobicContact CG2-CB 4.22Å; V345-L594 HydrophobicContact CG1-CD1 4.08Å; V345-L594 HydrophobicContact CG2-CD1 4.07Å; V345-Y784 HydrophobicContact CB-CD1 4.49Å; V345-Y784 HydrophobicContact CB-CD2 4.13Å; V345-Y784 HydrophobicContact CB-CE1 4.09Å; V345-Y784 HydrophobicContact CB-CE2 3.7Å; V345-Y784 HydrophobicContact CG2-CE1 4.28Å; V345-Y784 HydrophobicContact CG2-CE2 4.11Å; V345-Y784 WeakPolarHBondContact CG2-OH 3.35Å; V345-Y784 PolarHBondContact N-O 2.95Å; V345-L785 HydrophobicContact CG1-CD2 4.03Å
346	W	89.1	Confident	82.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.7	-20.5	-179.4	-54.8	107.6	0	0	0	114.2	M315 L335 L340 S344 I349 L594 L598 F640 V642 L785	M315-W346 WeakPolarHBondContact CE-O 3.29Å; L335-W346 VanDerWaalsContact CD1-CD1 3.41Å; L335-W346 HydrophobicContact CD1-CD2 4.26Å; L335-W346 HydrophobicContact CD1-CG 4Å; L335-W346 VanDerWaalsContact CD1-NE1 3.33Å; L340-W346 HydrophobicContact CD2-CB 3.85Å; L340-W346 HydrophobicContact CD2-CG 4.18Å; S344-W346 PolarHBondContact O-N 3.32Å; S344-W346 VanDerWaalsContact O-N 3.08Å; W346-I349 HydrophobicContact CE3-CD1 3.85Å; W346-I349 HydrophobicContact CZ3-CD1 4.12Å; W346-L594 HydrophobicContact CH2-CB 4.31Å; W346-L594 HydrophobicContact CH2-CD2 3.78Å; W346-L594 HydrophobicContact CZ2-CD2 4.07Å; W346-L594 HydrophobicContact CZ3-CB 4.4Å; W346-L598 HydrophobicContact CE3-CD2 4.23Å; W346-L598 HydrophobicContact CZ3-CB 4.28Å; W346-L598 HydrophobicContact CZ3-CD1 4.42Å; W346-L598 HydrophobicContact CZ3-CD2 4.29Å; W346-F640 AromaticContact CH2-CD1 3.83Å; W346-F640 HydrophobicContact CH2-CD1 3.83Å; W346-F640 HydrophobicContact CH2-CD2 4.38Å; W346-F640 AromaticContact CH2-CE1 3.71Å; W346-F640 HydrophobicContact CH2-CE1 3.71Å; W346-F640 HydrophobicContact CH2-CE2 4.3Å; W346-F640 HydrophobicContact CH2-CG 4.16Å; W346-F640 AromaticContact CH2-CZ 3.96Å; W346-F640 HydrophobicContact CH2-CZ 3.96Å; W346-F640 WeakPolarHBondContact CZ2-O 3.44Å; W346-F640 HydrophobicContact CZ3-CD1 4.19Å; W346-F640 HydrophobicContact CZ3-CE1 4.09Å; W346-V642 HydrophobicContact CZ2-CG2 4.29Å; W346-L785 PolarHBondContact NE1-O 3.17Å
347	V	83.6	Confident	82.9	Confident	22 Å²	22	56.6 Å²	56.6	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-76.7	-38.9	174.1	177.9	0	0	0	0	110.9	Y313 M315 K341 S344 V345	Y313-V347 HydrophobicContact CD2-CG2 4.04Å; M315-V347 HydrophobicContact CG-CB 4.3Å; M315-V347 HydrophobicContact CG-CG1 3.93Å; M315-V347 HydrophobicContact CG-CG2 4.45Å; M315-V347 HydrophobicContact SD-CB 4.36Å; M315-V347 HydrophobicContact SD-CG2 4.04Å; K341-V347 WeakPolarHBondContact O-CG2 3.48Å; S344-V347 WeakPolarHBondContact O-CB 3.45Å; S344-V347 PolarHBondContact O-N 2.91Å; V345-V347 PolarHBondContact O-N 2.91Å
348	Y	81.8	Confident	83.3	Confident	144 Å²	144	58 Å²	58	57%	0.565	29%	0.294	S	S	*	.	H	α-helix	trans	-82	-17.2	-179.3	-54.4	-65.4	0	0	0	113.8	E342 S344 V345 D350	E342-Y348 PolarHBondContact O-OH 3.26Å; S344-Y348 WeakPolarHBondContact O-CD2 3.45Å; V345-Y348 PolarHBondContact O-N 2.83Å; V345-Y348 VanDerWaalsContact O-N 3.16Å; Y348-D350 PolarHBondContact O-N 3.42Å
349	I	83.8	Confident	83.8	Confident	9 Å²	9	54.1 Å²	54.1	5%	0.046	26%	0.263	C	S	.	.			trans	-72	114.6	176.3	-77.5	168.4	0	0	0	110.3	K318 V345 W346 L594 S595 L598	K318-I349 PolarHBondContact NZ-O 3.22Å; V345-I349 HydrophobicContact CG2-CD1 3.99Å; V345-I349 HydrophobicContact CG2-CG1 4.43Å; V345-I349 WeakPolarHBondContact O-CG1 3.26Å; V345-I349 PolarHBondContact O-N 3.19Å; V345-I349 VanDerWaalsContact O-N 3.1Å; W346-I349 HydrophobicContact CE3-CD1 3.85Å; W346-I349 HydrophobicContact CZ3-CD1 4.12Å; I349-L594 HydrophobicContact CD1-CB 3.75Å; I349-S595 WeakPolarHBondContact CG2-OG 3.46Å; I349-L598 HydrophobicContact CG2-CD2 4.01Å
350	D	78.7	Confident	84.1	Confident	62 Å²	62	50 Å²	50	33%	0.332	25%	0.249	S	C	.	.			trans	-98.8	132	156.2	-155.2	-24.5	0	0	0	109.3	K316 Y348 S352 S595	K316-D350 WeakPolarHBondContact CD-OD2 3.35Å; K316-D350 WeakPolarHBondContact CE-OD2 3.4Å; K316-D350 IonicContact NZ-OD2 2.81Å; K316-D350 PolarHBondContact NZ-OD2 2.99Å; Y348-D350 PolarHBondContact O-N 3.42Å; D350-S352 VanDerWaalsContact OD1-CB 3.29Å; D350-S352 WeakPolarHBondContact OD1-CB 3.5Å; D350-S352 PolarHBondContact OD1-N 2.96Å; D350-S352 PolarHBondContact OD1-OG 2.87Å; D350-S595 PolarHBondContact O-OG 3.42Å
351	D	79.4	Confident	84.4	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	27%	0.272	C	S	.	.			trans	-125	7.2	-177.4	63.7	-40.3	0	0	0	111.8	K318 D353 A599 N602	K318-D351 WeakPolarHBondContact CD-OD1 3.45Å; K318-D351 WeakPolarHBondContact CE-OD1 3.45Å; K318-D351 IonicContact NZ-OD1 2.82Å; K318-D351 PolarHBondContact NZ-OD1 3.5Å; D351-D353 PolarHBondContact O-N 3.19Å; D351-A599 HydrophobicContact CB-CB 4.19Å; D351-N602 PolarHBondContact OD2-ND2 3.38Å
352	S	71.7	Confident	84.8	Confident	23 Å²	23	56.5 Å²	56.5	16%	0.161	28%	0.275	C	S	.	.	S	Bend	trans	-58.7	-46.3	-173.8	-57.5	0	0	0	0	112.6	R319 D350	R319-S352 WeakPolarHBondContact CD-O 3.43Å; R319-S352 PolarHBondContact NH1-O 3.24Å; D350-S352 VanDerWaalsContact OD1-CB 3.29Å; D350-S352 WeakPolarHBondContact OD1-CB 3.5Å; D350-S352 PolarHBondContact OD1-N 2.96Å; D350-S352 PolarHBondContact OD1-OG 2.87Å
353	D	78.5	Confident	85.3	Confident	137 Å²	137	50.3 Å²	50.3	73%	0.733	25%	0.246	S	C	*	.	S	Bend	trans	-104.8	-11	-164.9	-54.9	-44.3	0	0	0	113.9	D351 L355	D351-D353 PolarHBondContact O-N 3.19Å; D353-L355 PolarHBondContact O-N 2.92Å
354	L	83.6	Confident	85.6	Confident	22 Å²	22	47.7 Å²	47.7	12%	0.115	23%	0.232	C	C	.	.	S	Bend	trans	-61.8	-18	-178.2	-65.1	-177.8	0	0	0	114.5	S595 L667 N671 F672	L354-S595 WeakPolarHBondContact CD1-OG 3.47Å; L354-L667 WeakPolarHBondContact O-CD1 3.34Å; L354-N671 WeakPolarHBondContact CA-OD1 3.19Å; L354-N671 HydrophobicContact CD2-CB 3.82Å; L354-N671 PolarHBondContact O-ND2 3.03Å; L354-N671 PolarHBondContact O-OD1 3.4Å; L354-F672 HydrophobicContact CD1-CE2 4.49Å; L354-F672 HydrophobicContact CD2-CE2 3.75Å; L354-F672 HydrophobicContact CD2-CZ 3.76Å
355	L	85.5	Confident	85.6	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.262	C	S	.	.	S	Bend	trans	-114.5	100.9	-176.4	-78.1	172.7	0	0	0	111.2	R319 F321 D353 F359 V360 A599 A603 L667	R319-L355 PolarHBondContact NH1-O 2.99Å; R319-L355 PolarHBondContact NH2-O 3.04Å; F321-L355 HydrophobicContact CE1-CD1 4.02Å; F321-L355 HydrophobicContact CE2-CD1 4.48Å; F321-L355 HydrophobicContact CZ-CD1 3.65Å; D353-L355 PolarHBondContact O-N 2.92Å; L355-F359 HydrophobicContact CD2-CD1 3.44Å; L355-F359 VanDerWaalsContact CD2-CD1 3.44Å; L355-F359 HydrophobicContact CD2-CE1 3.89Å; L355-F359 HydrophobicContact CD2-CG 4.24Å; L355-V360 HydrophobicContact CB-CG2 3.89Å; L355-V360 HydrophobicContact CD1-CG2 4.34Å; L355-V360 HydrophobicContact CD2-CG2 4.36Å; L355-V360 HydrophobicContact CG-CG2 4.45Å; L355-A599 HydrophobicContact CD1-CB 3.68Å; L355-A599 WeakPolarHBondContact CD1-O 3.32Å; L355-A599 HydrophobicContact CG-CB 4.03Å; L355-A603 HydrophobicContact CD1-CB 3.8Å; L355-L667 HydrophobicContact CD2-CD1 3.8Å; L355-L667 HydrophobicContact CD2-CD2 3.93Å; L355-L667 HydrophobicContact CG-CD2 4.42Å
356	S	88.5	Confident	85.7	Confident	74 Å²	74	59 Å²	59	52%	0.517	28%	0.278	S	S	.	.			trans	-60.5	148.1	165.5	73.3	0	0	0	0	110.4	E358 F359 V360	S356-E358 PolarHBondContact O-N 3.25Å; S356-F359 PolarHBondContact O-N 3.07Å; S356-F359 WeakPolarHBondContact OG-CB 3.18Å; S356-F359 PolarHBondContact OG-N 3.4Å; S356-V360 WeakPolarHBondContact O-CG2 2.76Å; S356-V360 PolarHBondContact O-N 3Å; S356-V360 VanDerWaalsContact O-N 3.12Å
357	E	86.7	Confident	85.8	Confident	115 Å²	115	59 Å²	59	54%	0.537	28%	0.278	S	S	.	.	H	α-helix	trans	-60.4	-33.3	-178.7	-61.5	-158	146.1	0	0	112.7	V360 R361	E357-V360 WeakPolarHBondContact O-CB 3.24Å; E357-V360 PolarHBondContact O-N 3.42Å; E357-R361 WeakPolarHBondContact O-CG 3.3Å; E357-R361 PolarHBondContact O-N 3.1Å; E357-R361 IonicContact OE2-CZ 2.59Å; E357-R361 IonicContact OE2-NH1 2.73Å; E357-R361 PolarHBondContact OE2-NH1 2.79Å; E357-R361 IonicContact OE2-NH2 3.82Å; E357-R361 PolarHBondContact OE2-NH2 3.1Å
358	E	88.4	Confident	86.1	Confident	98 Å²	98	62.9 Å²	62.9	46%	0.458	29%	0.291	S	S	.	.	H	α-helix	trans	-68.6	-40.3	179.2	-177.9	50.5	-151.8	0	0	111.5	S356 V360 R361 Q362	S356-E358 PolarHBondContact O-N 3.25Å; E358-V360 VanDerWaalsContact C-N 3.28Å; E358-V360 PolarHBondContact O-N 3.29Å; E358-R361 PolarHBondContact O-N 3.05Å; E358-Q362 WeakPolarHBondContact O-CG 3.38Å; E358-Q362 PolarHBondContact O-N 3.21Å; E358-Q362 VanDerWaalsContact OE1-CG 3.32Å; E358-Q362 WeakPolarHBondContact OE1-CG 3.2Å; E358-Q362 PolarHBondContact OE1-NE2 3.22Å
359	F	91.3	Very high	86.2	Confident	23 Å²	23	60.1 Å²	60.1	10%	0.101	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-41.3	171.1	-167.3	-76	0	0	0	110.8	L355 S356 Q362 L363 L600 E666 L667 L670	L355-F359 HydrophobicContact CD2-CD1 3.44Å; L355-F359 VanDerWaalsContact CD2-CD1 3.44Å; L355-F359 HydrophobicContact CD2-CE1 3.89Å; L355-F359 HydrophobicContact CD2-CG 4.24Å; S356-F359 PolarHBondContact O-N 3.07Å; S356-F359 WeakPolarHBondContact OG-CB 3.18Å; S356-F359 PolarHBondContact OG-N 3.4Å; F359-Q362 PolarHBondContact O-N 3.32Å; F359-L363 HydrophobicContact CD1-CB 4.46Å; F359-L363 HydrophobicContact CE1-CB 4.48Å; F359-L363 HydrophobicContact CE1-CD1 4.38Å; F359-L363 HydrophobicContact CE1-CD2 4.46Å; F359-L363 WeakPolarHBondContact O-CB 3.26Å; F359-L363 PolarHBondContact O-N 2.76Å; F359-L600 HydrophobicContact CE1-CD2 3.73Å; F359-L600 HydrophobicContact CZ-CD2 4.32Å; F359-E666 HydrophobicContact CE2-CB 4.44Å; F359-L667 HydrophobicContact CD1-CD1 4.25Å; F359-L667 HydrophobicContact CD2-CD1 4.25Å; F359-L667 HydrophobicContact CE1-CD1 4.08Å; F359-L667 HydrophobicContact CE2-CD1 4.07Å; F359-L667 HydrophobicContact CG-CD1 4.34Å; F359-L667 HydrophobicContact CZ-CB 4.2Å; F359-L667 HydrophobicContact CZ-CD1 3.98Å; F359-L670 HydrophobicContact CD2-CD1 3.83Å; F359-L670 HydrophobicContact CE2-CD1 3.92Å
360	V	89.9	Confident	85.6	Confident	14 Å²	14	68.3 Å²	68.3	9%	0.085	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-44.2	175.8	179.3	0	0	0	0	111.8	F321 L355 S356 E357 E358 Q362 L363 H364	F321-V360 HydrophobicContact CD1-CG1 4.15Å; F321-V360 HydrophobicContact CD1-CG2 4.26Å; F321-V360 HydrophobicContact CE1-CG2 3.91Å; L355-V360 HydrophobicContact CB-CG2 3.89Å; L355-V360 HydrophobicContact CD1-CG2 4.34Å; L355-V360 HydrophobicContact CD2-CG2 4.36Å; L355-V360 HydrophobicContact CG-CG2 4.45Å; S356-V360 WeakPolarHBondContact O-CG2 2.76Å; S356-V360 PolarHBondContact O-N 3Å; S356-V360 VanDerWaalsContact O-N 3.12Å; E357-V360 WeakPolarHBondContact O-CB 3.24Å; E357-V360 PolarHBondContact O-N 3.42Å; E358-V360 VanDerWaalsContact C-N 3.28Å; E358-V360 PolarHBondContact O-N 3.29Å; V360-Q362 PolarHBondContact O-N 3.07Å; V360-L363 PolarHBondContact O-N 2.91Å; V360-H364 WeakPolarHBondContact O-CB 3.47Å; V360-H364 PolarHBondContact O-CD2 2.67Å; V360-H364 VanDerWaalsContact O-CG 3.31Å; V360-H364 PolarHBondContact O-N 2.65Å
361	R	88.7	Confident	84.7	Confident	139 Å²	139	68.6 Å²	68.6	53%	0.525	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-45.1	176	-74.7	177.8	-179.8	99.1	12.7	111.2	E357 E358 K365	E357-R361 WeakPolarHBondContact O-CG 3.3Å; E357-R361 PolarHBondContact O-N 3.1Å; E357-R361 IonicContact OE2-CZ 2.59Å; E357-R361 IonicContact OE2-NH1 2.73Å; E357-R361 PolarHBondContact OE2-NH1 2.79Å; E357-R361 IonicContact OE2-NH2 3.82Å; E357-R361 PolarHBondContact OE2-NH2 3.1Å; E358-R361 PolarHBondContact O-N 3.05Å; R361-K365 VanDerWaalsContact O-CB 3.32Å; R361-K365 WeakPolarHBondContact O-CB 3.47Å; R361-K365 PolarHBondContact O-N 2.84Å
362	Q	89.5	Confident	82.8	Confident	105 Å²	105	76 Å²	76	49%	0.491	38%	0.377	S	S	.	.	H	α-helix	trans	-66.4	-44.2	176.9	-68	-177.2	24.8	0	0	112.2	E358 F359 V360 K365 R366	E358-Q362 WeakPolarHBondContact O-CG 3.38Å; E358-Q362 PolarHBondContact O-N 3.21Å; E358-Q362 VanDerWaalsContact OE1-CG 3.32Å; E358-Q362 WeakPolarHBondContact OE1-CG 3.2Å; E358-Q362 PolarHBondContact OE1-NE2 3.22Å; F359-Q362 PolarHBondContact O-N 3.32Å; V360-Q362 PolarHBondContact O-N 3.07Å; Q362-K365 WeakPolarHBondContact O-CB 3.48Å; Q362-K365 PolarHBondContact O-N 3Å; Q362-R366 VanDerWaalsContact O-CB 3.3Å; Q362-R366 WeakPolarHBondContact O-CB 3.34Å; Q362-R366 WeakPolarHBondContact O-CG 3.36Å; Q362-R366 PolarHBondContact O-N 3.31Å
363	L	91.3	Very high	80.9	Confident	2 Å²	2	82.8 Å²	82.8	1%	0.01	40%	0.404	C	S	.	.	H	α-helix	trans	-60	-46.4	176.5	-172.2	72.4	0	0	0	111.2	F359 V360 K365 R366 F367 L600 A603 L604 Y663	F359-L363 HydrophobicContact CD1-CB 4.46Å; F359-L363 HydrophobicContact CE1-CB 4.48Å; F359-L363 HydrophobicContact CE1-CD1 4.38Å; F359-L363 HydrophobicContact CE1-CD2 4.46Å; F359-L363 WeakPolarHBondContact O-CB 3.26Å; F359-L363 PolarHBondContact O-N 2.76Å; V360-L363 PolarHBondContact O-N 2.91Å; L363-K365 PolarHBondContact O-N 3.36Å; L363-R366 PolarHBondContact O-N 3.36Å; L363-F367 HydrophobicContact CD1-CD2 3.71Å; L363-F367 HydrophobicContact CD1-CE2 3.64Å; L363-F367 HydrophobicContact CG-CD2 4.27Å; L363-F367 WeakPolarHBondContact O-CD2 3.25Å; L363-F367 PolarHBondContact O-N 3.4Å; L363-L600 HydrophobicContact CD1-CD2 4.06Å; L363-L600 HydrophobicContact CD2-CD2 3.8Å; L363-A603 HydrophobicContact CD2-CB 3.81Å; L363-L604 HydrophobicContact CD1-CD2 4.34Å; L363-L604 HydrophobicContact CD2-CD2 4.12Å; L363-L604 HydrophobicContact CD2-CG 4.08Å; L363-L604 HydrophobicContact CG-CD2 3.81Å; L363-L604 HydrophobicContact CG-CG 4.22Å; L363-Y663 HydrophobicContact CD1-CD1 4.42Å; L363-Y663 HydrophobicContact CD1-CG 4.33Å
364	H	90.4	Very high	78.5	Confident	10 Å²	10	81.2 Å²	81.2	5%	0.046	41%	0.409	C	S	.	.	H	α-helix	trans	-63	-40.5	176.1	-74	-163.6	0	0	0	112.2	S322 L327 V360 R366 R368 A603	S322-H364 PolarHBondContact O-CE1 3.02Å; L327-H364 HydrophobicContact CD1-CB 4.49Å; L327-H364 VanDerWaalsContact CD1-CD2 3.46Å; L327-H364 WeakPolarHBondContact CD1-CD2 3.37Å; L327-H364 HydrophobicContact CD2-CB 4.1Å; L327-H364 VanDerWaalsContact CD2-O 3.31Å; L327-H364 WeakPolarHBondContact CD2-O 3.49Å; V360-H364 WeakPolarHBondContact O-CB 3.47Å; V360-H364 PolarHBondContact O-CD2 2.67Å; V360-H364 VanDerWaalsContact O-CG 3.31Å; V360-H364 PolarHBondContact O-N 2.65Å; H364-R366 VanDerWaalsContact C-N 3.35Å; H364-R368 PolarHBondContact O-N 3.01Å; H364-A603 PolarHBondContact NE2-O 3.48Å
365	K	89.4	Confident	75.9	Confident	146 Å²	146	87.2 Å²	87.2	64%	0.635	44%	0.439	S	S	*	.	H	α-helix	trans	-64.1	-38.1	174.1	-173.8	177.2	-179.8	179.3	0	111.9	R361 Q362 L363 R368 I654	R361-K365 VanDerWaalsContact O-CB 3.32Å; R361-K365 WeakPolarHBondContact O-CB 3.47Å; R361-K365 PolarHBondContact O-N 2.84Å; Q362-K365 WeakPolarHBondContact O-CB 3.48Å; Q362-K365 PolarHBondContact O-N 3Å; L363-K365 PolarHBondContact O-N 3.36Å; K365-R368 WeakPolarHBondContact O-CG 3.3Å; K365-I654 WeakPolarHBondContact O-CD1 3.43Å
366	R	90.7	Very high	73.5	Confident	91 Å²	91	92.4 Å²	92.4	34%	0.343	48%	0.475	S	S	.	.	H	α-helix	trans	-78.2	-24.7	-179.2	-79.6	-72.6	-170.2	155.7	-1.2	114.9	Q362 L363 H364 D653 I654 Y663	Q362-R366 VanDerWaalsContact O-CB 3.3Å; Q362-R366 WeakPolarHBondContact O-CB 3.34Å; Q362-R366 WeakPolarHBondContact O-CG 3.36Å; Q362-R366 PolarHBondContact O-N 3.31Å; L363-R366 PolarHBondContact O-N 3.36Å; H364-R366 VanDerWaalsContact C-N 3.35Å; R366-D653 HydrophobicContact CB-CB 4.5Å; R366-D653 WeakPolarHBondContact CD-OD2 3.46Å; R366-D653 IonicContact CZ-OD2 3.27Å; R366-D653 IonicContact NH1-OD2 3.67Å; R366-D653 PolarHBondContact NH1-OD2 2.86Å; R366-D653 CarbonylContact O-C 3.59Å; R366-D653 WeakPolarHBondContact O-CA 3.49Å; R366-D653 WeakPolarHBondContact O-CB 3.45Å; R366-I654 WeakPolarHBondContact O-CG1 3.49Å; R366-I654 WeakPolarHBondContact O-CG2 3.21Å; R366-I654 PolarHBondContact O-N 3.42Å; R366-Y663 WeakPolarHBondContact CD-OH 3.39Å
367	F	90.6	Very high	70.6	Confident	0 Å²	0	94.1 Å²	94.1	0%	0	49%	0.487	C	S	.	.	H	α-helix	trans	-112.6	9.9	-178.7	-74.8	-89.4	0	0	0	114.3	L327 K328 L363 L604 T651 D653 L660 Y663	L327-F367 CarbonylContact C-O 3.53Å; K328-F367 HydrophobicContact CB-CD1 4.38Å; K328-F367 WeakPolarHBondContact CB-O 3.34Å; K328-F367 HydrophobicContact CD-CD1 4.36Å; K328-F367 WeakPolarHBondContact CG-O 3.26Å; K328-F367 PolarHBondContact N-O 2.86Å; L363-F367 HydrophobicContact CD1-CD2 3.71Å; L363-F367 HydrophobicContact CD1-CE2 3.64Å; L363-F367 HydrophobicContact CG-CD2 4.27Å; L363-F367 WeakPolarHBondContact O-CD2 3.25Å; L363-F367 PolarHBondContact O-N 3.4Å; F367-L604 HydrophobicContact CB-CD2 3.45Å; F367-L604 VanDerWaalsContact CB-CD2 3.45Å; F367-L604 HydrophobicContact CD1-CD1 4.13Å; F367-L604 HydrophobicContact CD1-CD2 4.46Å; F367-L604 HydrophobicContact CD2-CD1 4.24Å; F367-L604 HydrophobicContact CD2-CD2 3.88Å; F367-L604 HydrophobicContact CE1-CD1 4.37Å; F367-L604 HydrophobicContact CE2-CD1 4.48Å; F367-L604 HydrophobicContact CG-CD1 4.06Å; F367-L604 HydrophobicContact CG-CD2 3.68Å; F367-T651 HydrophobicContact CD1-CG2 3.97Å; F367-T651 HydrophobicContact CE1-CG2 3.74Å; F367-T651 WeakPolarHBondContact CE1-O 3.25Å; F367-D653 HydrophobicContact CE1-CB 4.3Å; F367-D653 HydrophobicContact CE2-CB 4.31Å; F367-D653 HydrophobicContact CZ-CB 4.09Å; F367-L660 HydrophobicContact CE2-CD1 4.41Å; F367-L660 HydrophobicContact CZ-CD1 4.14Å; F367-Y663 AromaticContact CE2-CD2 3.59Å; F367-Y663 HydrophobicContact CE2-CD2 3.59Å; F367-Y663 AromaticContact CE2-CE2 3.48Å; F367-Y663 HydrophobicContact CE2-CE2 3.48Å; F367-Y663 VanDerWaalsContact CE2-CE2 3.48Å; F367-Y663 HydrophobicContact CE2-CG 4.27Å; F367-Y663 AromaticContact CZ-CD2 3.68Å; F367-Y663 HydrophobicContact CZ-CD2 3.68Å; F367-Y663 AromaticContact CZ-CE2 3.64Å; F367-Y663 HydrophobicContact CZ-CE2 3.64Å
368	R	89	Confident	68	Low	104 Å²	104	95.1 Å²	95.1	39%	0.392	50%	0.496	S	S	.	.	B	Isolated β-bridge	trans	-59.6	142.7	175.1	69.7	-175.6	-179.6	158.5	0.3	113	H364 K365 K370 I654	H364-R368 PolarHBondContact O-N 3.01Å; K365-R368 WeakPolarHBondContact O-CG 3.3Å; R368-K370 PolarHBondContact O-N 3.37Å; R368-I654 HydrophobicContact CG-CG2 4.07Å; R368-I654 WeakPolarHBondContact O-CG2 3.38Å
369	I	84.5	Confident	65.3	Low	87 Å²	87	99.3 Å²	99.3	45%	0.446	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-80.1	116.6	169.2	-59.3	174	0	0	0	107.8	R326 L327 K328 G371	R326-I369 HydrophobicContact CB-CD1 4.44Å; R326-I369 PolarHBondContact O-N 3.45Å; L327-I369 WeakPolarHBondContact O-CD1 3.39Å; K328-I369 HydrophobicContact CG-CG1 4.21Å; I369-G371 PolarHBondContact O-N 3.47Å
370	K	72.2	Confident	62.6	Low	181 Å²	181	105.4 Å²	105.4	79%	0.787	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-69.9	123.4	171.5	-165.6	175.2	-177.3	-178.3	0	108.2	R368	R368-K370 PolarHBondContact O-N 3.37Å
371	G	58.9	Low	59.8	Low	67 Å²	67	112 Å²	112	69%	0.691	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-70.4	132.2	178.3	0	0	0	0	0	111.1	I369	I369-G371 PolarHBondContact O-N 3.47Å
372	N	39	Very low	57.3	Low	158 Å²	158	112.1 Å²	112.1	85%	0.845	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-82.3	124.7	171.9	-79	-2.7	0	0	0	109.7
373	K	33.2	Very low	54.5	Low	165 Å²	165	113.7 Å²	113.7	72%	0.717	60%	0.597	S	S	*	*			trans	10.3	121.4	162.4	-64.7	179.7	171.7	-165.1	0	117.5	M375	K373-M375 HydrophobicContact CB-CG 4.23Å; K373-M375 HydrophobicContact CD-CG 3.87Å; K373-M375 HydrophobicContact CD-SD 3.65Å; K373-M375 WeakPolarHBondContact CE-SD 3.29Å; K373-M375 HydrophobicContact CG-CG 4.03Å; K373-M375 HydrophobicContact CG-SD 4.36Å; K373-M375 PolarHBondContact NZ-SD 2.93Å
374	A	28.1	Very low	51.7	Low	103 Å²	103	119.6 Å²	119.6	85%	0.851	64%	0.637	S	S	*	*				-90.5	138.9	117.4	0	0	0	0	0	107.1
375	M	27.9	Very low	49	Very low	148 Å²	148	122.8 Å²	122.8	73%	0.729	67%	0.672	S	S	*	*			trans	-122.2	134.8	165.6	-79.6	-170.1	127.2	0	0	108.1	K373	K373-M375 HydrophobicContact CB-CG 4.23Å; K373-M375 HydrophobicContact CD-CG 3.87Å; K373-M375 HydrophobicContact CD-SD 3.65Å; K373-M375 WeakPolarHBondContact CE-SD 3.29Å; K373-M375 HydrophobicContact CG-CG 4.03Å; K373-M375 HydrophobicContact CG-SD 4.36Å; K373-M375 PolarHBondContact NZ-SD 2.93Å
376	S	34.4	Very low	46.2	Very low	111 Å²	111	123.5 Å²	123.5	78%	0.776	68%	0.683	S	S	*	*			trans	-149.6	118.4	178.7	51.2	0	0	0	0	107.1
377	S	29.1	Very low	43.5	Very low	110 Å²	110	125.5 Å²	125.5	77%	0.769	71%	0.706	S	S	*	*			trans	39.5	113.5	170.1	-100.1	0	0	0	0	117.3
378	D	30.8	Very low	40.8	Very low	135 Å²	135	131.5 Å²	131.5	72%	0.722	74%	0.742	S	S	*	*				-173.9	161.6	57.5	-101.2	-9.2	0	0	0	113.2
379	K	32.8	Very low	38.1	Very low	186 Å²	186	131.6 Å²	131.6	81%	0.809	76%	0.755	S	S	*	*			trans	68.9	128.9	159.2	-73.6	176.1	-179.2	-179.7	0	119.8
380	L	34.2	Very low	35.5	Very low	152 Å²	152	133 Å²	133	80%	0.796	77%	0.772	S	S	*	*			trans	63.6	142.4	162.7	-53.6	170.4	0	0	0	116.7
381	E	31	Very low	33.5	Very low	153 Å²	153	131 Å²	131	72%	0.715	77%	0.769	S	S	*	*			cis	174.4	135.4	-36.5	-112.7	-175.6	160.5	0	0	105.1
382	I	37.3	Very low	32.1	Very low	141 Å²	141	137.9 Å²	137.9	72%	0.723	78%	0.78	S	S	*	*			trans	77.3	143.4	151.9	-61.8	167.2	0	0	0	119.4
383	D	30.8	Very low	31.7	Very low	137 Å²	137	137.8 Å²	137.8	73%	0.733	78%	0.78	S	S	*	*			trans	61.8	97.4	166	-70.3	2.2	0	0	0	124.4
384	C	32.4	Very low	31.7	Very low	127 Å²	127	136.5 Å²	136.5	86%	0.858	79%	0.786	S	S	*	*				52.5	121.4	110.6	-65.3	0	0	0	0	122.5
385	G	32.3	Very low	31.7	Very low	76 Å²	76	139.6 Å²	139.6	78%	0.784	79%	0.787	S	S	*	*			trans	162.6	94.9	155.9	0	0	0	0	0	115.3
386	N	30.3	Very low	31.8	Very low	162 Å²	162	136 Å²	136	87%	0.866	79%	0.788	S	S	*	*			trans	-110.8	125.2	-177.7	-78.8	-26.4	0	0	0	113.9
387	T	35	Very low	31.6	Very low	132 Å²	132	135.3 Å²	135.3	81%	0.81	78%	0.784	S	S	*	*			trans	-167.8	150.8	156.7	12.2	0	0	0	0	108.6
388	V	34	Very low	31.7	Very low	127 Å²	127	139.2 Å²	139.2	77%	0.77	79%	0.787	S	S	*	*			cis	-129	105.8	1.7	-176.5	0	0	0	0	106.8
389	T	32.7	Very low	31.7	Very low	106 Å²	106	138.8 Å²	138.8	65%	0.65	79%	0.789	S	S	*	*				62.4	102.1	85.6	-48.6	0	0	0	0	115.1	L391	T389-L391 HydrophobicContact CG2-CB 4.49Å
390	S	28.5	Very low	31.6	Very low	115 Å²	115	136.1 Å²	136.1	80%	0.804	78%	0.784	S	S	*	*			trans	-110.8	92.5	163.5	59.6	0	0	0	0	110.6
391	L	31.3	Very low	31.6	Very low	141 Å²	141	137 Å²	137	74%	0.738	78%	0.784	S	S	*	*			trans	-146.2	117.5	174	-76.7	-179.1	0	0	0	111.8	T389	T389-L391 HydrophobicContact CG2-CB 4.49Å
392	F	29.3	Very low	31.4	Very low	210 Å²	210	137 Å²	137	92%	0.921	79%	0.788	S	S	*	*			trans	-153.5	86.5	154.9	-92.1	-65.6	0	0	0	109.3
393	N	29.9	Very low	31.2	Very low	156 Å²	156	135.4 Å²	135.4	83%	0.834	79%	0.787	S	S	*	*			trans	168.2	110.5	155.8	-91.4	-24.4	0	0	0	108.7
394	T	33.2	Very low	31	Very low	138 Å²	138	136.7 Å²	136.7	85%	0.847	79%	0.789	S	S	*	*			trans	173	108.9	141.1	-74.5	0	0	0	0	110.9
395	L	27.6	Very low	30.7	Very low	168 Å²	168	138.6 Å²	138.6	88%	0.88	79%	0.79	S	S	*	*			trans	40.2	110.7	138.9	-159.8	69.7	0	0	0	121.8
396	G	31.2	Very low	30.3	Very low	72 Å²	72	139.4 Å²	139.4	74%	0.742	78%	0.783	S	S	*	*			trans	-151.6	130.4	143.4	0	0	0	0	0	107.8
397	S	29.6	Very low	30.3	Very low	98 Å²	98	138.5 Å²	138.5	69%	0.685	78%	0.783	S	S	*	*			cis	102.7	109.7	24	-169.9	0	0	0	0	112.3
398	K	31.5	Very low	30	Very low	192 Å²	192	140.1 Å²	140.1	84%	0.835	78%	0.782	S	S	*	*			trans	68.2	146.5	-178.8	-51.6	169.2	-177	177	0	112.9
399	T	31.4	Very low	29.5	Very low	125 Å²	125	138.9 Å²	138.9	77%	0.767	78%	0.778	S	S	*	*			cis	-166.5	166	-8	14.7	0	0	0	0	106.5
400	N	29.9	Very low	29.4	Very low	131 Å²	131	138.2 Å²	138.2	70%	0.701	78%	0.778	S	S	*	*			cis	-155.4	-176	7	-148.3	-3.5	0	0	0	111.3
401	Q	34.7	Very low	29.5	Very low	170 Å²	170	138.5 Å²	138.5	79%	0.794	78%	0.775	S	S	*	*			trans	65.3	103.9	150.1	-76.1	169	4.7	0	0	121.1
402	D	26	Very low	29.5	Very low	152 Å²	152	138.9 Å²	138.9	81%	0.813	78%	0.778	S	S	*	*			trans	-38.9	175.7	134.8	-84.4	-65.2	0	0	0	116.1
403	P	33.6	Very low	29.7	Very low	108 Å²	108	137.3 Å²	137.3	70%	0.701	78%	0.776	S	S	*	*			cis	-137.5	175.9	11.3	21.8	4.7	0	0	0	117.6
404	Q	26.7	Very low	29.8	Very low	164 Å²	164	134.9 Å²	134.9	77%	0.766	77%	0.771	S	S	*	*			trans	33.3	129	138.7	-60.7	-81.1	6	0	0	120.8
405	L	26.6	Very low	30	Very low	167 Å²	167	136.4 Å²	136.4	87%	0.874	77%	0.772	S	S	*	*				-169	139.6	114	-106.3	164.5	0	0	0	112.5
406	S	23.7	Very low	30.2	Very low	93 Å²	93	139.7 Å²	139.7	65%	0.65	77%	0.773	S	S	*	*			trans	-111.8	138.7	174.5	54.8	0	0	0	0	111
407	V	29.1	Very low	30.4	Very low	143 Å²	143	148.2 Å²	148.2	87%	0.867	78%	0.783	S	S	*	*			trans	-140.4	141.3	163.5	-175.9	0	0	0	0	109.6
408	H	28.5	Very low	30.4	Very low	167 Å²	167	148.8 Å²	148.8	77%	0.773	79%	0.787	S	S	*	*			trans	-92	145.3	-177.4	-90.4	-108.4	0	0	0	113.6
409	S	25.5	Very low	30.7	Very low	100 Å²	100	148 Å²	148	70%	0.699	79%	0.788	S	S	*	*			trans	73.4	165.4	136.6	78.8	0	0	0	0	121.6
410	S	28.9	Very low	30.9	Very low	92 Å²	92	153.5 Å²	153.5	64%	0.643	80%	0.795	S	S	*	*			trans	86.7	109	144.9	-56.5	0	0	0	0	120.5
411	T	31.9	Very low	30.9	Very low	122 Å²	122	156.8 Å²	156.8	75%	0.748	80%	0.803	S	S	*	*			trans	60.3	126.2	133.3	58.4	0	0	0	0	121.6
412	N	29.8	Very low	30.8	Very low	149 Å²	149	152 Å²	152	80%	0.797	80%	0.799	S	S	*	*			trans	29.6	116.5	135.5	-60.4	-16.3	0	0	0	119.2
413	M	34.5	Very low	31.2	Very low	177 Å²	177	150.5 Å²	150.5	87%	0.872	80%	0.8	S	S	*	*				-165.1	159	117.3	-105.2	-80.1	90.7	0	0	111.6
414	S	31.3	Very low	31.1	Very low	105 Å²	105	154.4 Å²	154.4	73%	0.734	81%	0.809	S	S	*	*			trans	-87.2	135.8	-176.1	-53.7	0	0	0	0	111.8
415	I	37.7	Very low	31.5	Very low	169 Å²	169	151.9 Å²	151.9	87%	0.867	81%	0.81	S	S	*	*			trans	-120	119.1	162.1	-62.6	-176.6	0	0	0	109.5
416	R	31.7	Very low	31.6	Very low	237 Å²	237	152.6 Å²	152.6	89%	0.894	81%	0.813	S	S	*	*			trans	-68.7	140.3	176.3	-64	172.8	172.7	176	-3.9	110.2
417	R	36.1	Very low	32.1	Very low	252 Å²	252	152.5 Å²	152.5	95%	0.951	82%	0.819	S	S	*	*			trans	-102	114.2	149.8	-79.8	-173.7	173	168.7	-0.9	108.4
418	S	30.3	Very low	32.5	Very low	110 Å²	110	150.8 Å²	150.8	77%	0.769	81%	0.813	S	S	*	*			trans	-82.2	133.1	176	-174	0	0	0	0	109.9
419	M	37.1	Very low	32.8	Very low	174 Å²	174	153.5 Å²	153.5	86%	0.857	82%	0.816	S	S	*	*			trans	-130.7	148.8	160.3	-77.8	-64.7	-82.6	0	0	108.3
420	R	35.9	Very low	34.1	Very low	242 Å²	242	152.4 Å²	152.4	91%	0.913	81%	0.806	S	S	*	*			trans	-60.6	145.1	-160.6	-75	176.3	166.3	169	-6.2	114.5
421	F	30.3	Very low	35.4	Very low	200 Å²	200	153.2 Å²	153.2	88%	0.877	80%	0.799	S	S	*	*			trans	-59.5	143.3	153.4	-85.7	-107.5	0	0	0	110.4
422	G	31.3	Very low	36.8	Very low	68 Å²	68	151 Å²	151	70%	0.701	79%	0.786	S	S	*	*			trans	-168.9	126	168.9	0	0	0	0	0	110.5
423	S	35.5	Very low	38.5	Very low	122 Å²	122	146.9 Å²	146.9	85%	0.853	76%	0.763	S	S	*	*			trans	50.8	85.4	169.6	-55.2	0	0	0	0	117	S425	S423-S425 PolarHBondContact O-N 3.49Å; S423-S425 VanDerWaalsContact O-N 3.1Å
424	Q	31.5	Very low	40.2	Very low	189 Å²	189	144.5 Å²	144.5	88%	0.883	75%	0.754	S	S	*	*			trans	-67.9	102.1	153.1	-70.5	-176	3.2	0	0	108.6
425	S	34	Very low	42.3	Very low	112 Å²	112	140.9 Å²	140.9	78%	0.783	73%	0.726	S	S	*	*			trans	-94.8	147.1	160.7	-169.5	0	0	0	0	109.1	S423 A427	S423-S425 PolarHBondContact O-N 3.49Å; S423-S425 VanDerWaalsContact O-N 3.1Å; S425-A427 PolarHBondContact O-N 3.06Å
426	L	28.2	Very low	44.4	Very low	181 Å²	181	133.4 Å²	133.4	95%	0.948	69%	0.688	S	S	*	*			trans	-72.4	86.3	-171.3	-69.7	165.1	0	0	0	111.9
427	A	34.2	Very low	47	Very low	92 Å²	92	125.5 Å²	125.5	76%	0.76	67%	0.667	S	S	*	*			trans	-88.7	125.3	161.2	0	0	0	0	0	109.3	S425 R429	S425-A427 PolarHBondContact O-N 3.06Å; A427-R429 PolarHBondContact O-N 3.36Å
428	S	39.2	Very low	49.3	Very low	107 Å²	107	118.4 Å²	118.4	75%	0.748	65%	0.652	S	S	*	*			trans	-59	132.9	172.5	35.7	0	0	0	0	110.1	T430	S428-T430 VanDerWaalsContact C-N 3.34Å; S428-T430 PolarHBondContact O-N 3.28Å
429	R	34.2	Very low	52.1	Low	224 Å²	224	121.5 Å²	121.5	85%	0.845	65%	0.651	S	S	*	*			trans	-71.4	85.8	-175.1	-177.6	-172.9	172	-166.3	-3.3	110.6	A427	A427-R429 PolarHBondContact O-N 3.36Å
430	T	51.7	Low	54.6	Low	77 Å²	77	113.3 Å²	113.3	47%	0.472	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-59.8	140.9	165.8	42.1	0	0	0	0	110.1	S428 N532	S428-T430 VanDerWaalsContact C-N 3.34Å; S428-T430 PolarHBondContact O-N 3.28Å; T430-N532 CarbonylContact C-O 3.46Å; T430-N532 WeakPolarHBondContact CA-O 3.43Å; T430-N532 WeakPolarHBondContact CB-O 3.37Å
431	Q	56.7	Low	57.1	Low	108 Å²	108	102.5 Å²	102.5	51%	0.505	57%	0.574	S	S	.	*	B	Isolated β-bridge	trans	-96.3	136.6	175.4	-58.7	-177.9	25.4	0	0	107.8	N532	Q431-N532 HydrophobicContact CG-CB 4.31Å; Q431-N532 PolarHBondContact N-O 2.87Å
432	T	61.2	Low	59.9	Low	77 Å²	77	98.2 Å²	98.2	47%	0.472	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-101.1	142.1	168.7	64.8	0	0	0	0	109.6	D434 I534 E537	T432-D434 VanDerWaalsContact CB-OD1 3.24Å; T432-D434 WeakPolarHBondContact CB-OD1 3.32Å; T432-D434 PolarHBondContact OG1-OD1 2.92Å; T432-I534 HydrophobicContact CG2-CD1 3.58Å; T432-I534 HydrophobicContact CG2-CG1 4.28Å; T432-E537 WeakPolarHBondContact CA-OE2 3.5Å
433	L	66.1	Low	62.8	Low	61 Å²	61	97.1 Å²	97.1	32%	0.319	54%	0.538	S	S	.	.			trans	-99.6	-1.8	173.2	-60.8	173.3	0	0	0	111.7	L435 L528 L533 E537	L433-L435 HydrophobicContact CB-CD1 3.74Å; L433-L435 HydrophobicContact CB-CD2 4.27Å; L433-L435 HydrophobicContact CB-CG 3.56Å; L433-L435 HydrophobicContact CD1-CD1 3.77Å; L433-L435 HydrophobicContact CG-CD1 4.44Å; L433-L435 PolarHBondContact O-N 3.44Å; L433-L435 VanDerWaalsContact O-N 3.14Å; L433-L528 HydrophobicContact CD1-CD2 3.55Å; L433-L528 HydrophobicContact CD2-CD2 3.94Å; L433-L528 HydrophobicContact CG-CD2 4.33Å; L433-L533 HydrophobicContact CD1-CD1 4.11Å; L433-L533 HydrophobicContact CD1-CD2 3.64Å; L433-L533 HydrophobicContact CD2-CD2 4.4Å; L433-L533 HydrophobicContact CG-CD2 3.75Å; L433-E537 PolarHBondContact N-OE1 3.32Å; L433-E537 PolarHBondContact N-OE2 3.37Å
434	D	70.1	Confident	65.4	Low	128 Å²	128	91.3 Å²	91.3	68%	0.684	50%	0.498	S	S	*	.			trans	50	32.5	-177.5	-67	4.5	0	0	0	113.1	T432 L436 E537	T432-D434 VanDerWaalsContact CB-OD1 3.24Å; T432-D434 WeakPolarHBondContact CB-OD1 3.32Å; T432-D434 PolarHBondContact OG1-OD1 2.92Å; D434-L436 VanDerWaalsContact C-N 3.31Å; D434-L436 PolarHBondContact O-N 2.88Å; D434-E537 PolarHBondContact N-OE1 3.07Å
435	L	76.5	Confident	68.1	Low	29 Å²	29	83.6 Å²	83.6	15%	0.152	47%	0.467	C	S	.	.			trans	-73.2	-24.6	-175.1	-63.5	171	0	0	0	113.3	L433 I519 L523 E537 L540	L433-L435 HydrophobicContact CB-CD1 3.74Å; L433-L435 HydrophobicContact CB-CD2 4.27Å; L433-L435 HydrophobicContact CB-CG 3.56Å; L433-L435 HydrophobicContact CD1-CD1 3.77Å; L433-L435 HydrophobicContact CG-CD1 4.44Å; L433-L435 PolarHBondContact O-N 3.44Å; L433-L435 VanDerWaalsContact O-N 3.14Å; L435-I519 HydrophobicContact CD2-CG2 3.69Å; L435-L523 HydrophobicContact CD1-CD1 3.69Å; L435-L523 HydrophobicContact CD1-CD2 3.88Å; L435-L523 HydrophobicContact CD1-CG 4.44Å; L435-L523 HydrophobicContact CD2-CD1 3.97Å; L435-L523 HydrophobicContact CD2-CD2 4.24Å; L435-L523 HydrophobicContact CG-CD1 4.44Å; L435-E537 PolarHBondContact N-OE1 2.88Å; L435-L540 HydrophobicContact CB-CD2 3.64Å; L435-L540 HydrophobicContact CD1-CD2 3.94Å; L435-L540 HydrophobicContact CG-CD2 4.43Å
436	L	80.3	Confident	70.7	Confident	11 Å²	11	84 Å²	84	6%	0.058	46%	0.459	C	S	.	.	S	Bend	trans	-123.7	141.1	-177.8	-73.3	164.8	0	0	0	109.1	D434 V438 A441 I444 F513 A536 L540	D434-L436 VanDerWaalsContact C-N 3.31Å; D434-L436 PolarHBondContact O-N 2.88Å; L436-V438 PolarHBondContact O-N 2.93Å; L436-A441 HydrophobicContact CB-CB 4.12Å; L436-I444 HydrophobicContact CD1-CD1 3.9Å; L436-F513 HydrophobicContact CD2-CB 4.07Å; L436-F513 WeakPolarHBondContact CD2-O 3.35Å; L436-A536 HydrophobicContact CD1-CB 4.3Å; L436-L540 HydrophobicContact CD1-CD2 3.96Å; L436-L540 HydrophobicContact CD2-CD2 4.36Å; L436-L540 HydrophobicContact CG-CD2 3.84Å
437	P	86.1	Confident	73.6	Confident	71 Å²	71	75.6 Å²	75.6	46%	0.461	42%	0.415	S	S	.	.			trans	-53.9	135.3	168.8	-24.1	34	0	0	0	110.1	K439 A440 A441 F513	P437-K439 PolarHBondContact O-N 3.5Å; P437-A440 HydrophobicContact CB-CB 4.44Å; P437-A440 WeakPolarHBondContact O-CA 3.31Å; P437-A440 WeakPolarHBondContact O-CB 3.36Å; P437-A440 PolarHBondContact O-N 2.85Å; P437-A441 PolarHBondContact O-N 3.28Å; P437-F513 HydrophobicContact CG-CD1 3.94Å; P437-F513 HydrophobicContact CG-CE1 4.32Å
438	V	86	Confident	76.1	Confident	103 Å²	103	71.5 Å²	71.5	62%	0.624	38%	0.38	S	S	*	.	H	α-helix	trans	-48.1	-39.5	-173.1	-179.9	0	0	0	0	113	L436 A441 Q442	L436-V438 PolarHBondContact O-N 2.93Å; V438-A441 PolarHBondContact O-N 2.86Å; V438-Q442 HydrophobicContact CG1-CG 4.38Å; V438-Q442 WeakPolarHBondContact O-CB 3.34Å; V438-Q442 WeakPolarHBondContact O-CG 3.47Å; V438-Q442 PolarHBondContact O-N 3.5Å
439	K	88.7	Confident	78.4	Confident	175 Å²	175	69.4 Å²	69.4	76%	0.761	37%	0.37	S	S	*	.	H	α-helix	trans	-65.6	-36.4	176.4	-66	-174	176.8	-175.4	0	114	P437 S443	P437-K439 PolarHBondContact O-N 3.5Å; K439-S443 WeakPolarHBondContact O-CB 3.44Å; K439-S443 PolarHBondContact O-N 3.29Å
440	A	89.2	Confident	81	Confident	3 Å²	3	63 Å²	63	3%	0.025	36%	0.359	C	S	.	.	H	α-helix	trans	-71.1	-46.2	176.2	0	0	0	0	0	110.5	P437 Q442 S443 I444 F513	P437-A440 HydrophobicContact CB-CB 4.44Å; P437-A440 WeakPolarHBondContact O-CA 3.31Å; P437-A440 WeakPolarHBondContact O-CB 3.36Å; P437-A440 PolarHBondContact O-N 2.85Å; A440-Q442 VanDerWaalsContact C-N 3.33Å; A440-Q442 PolarHBondContact O-N 3.15Å; A440-S443 PolarHBondContact O-N 3.28Å; A440-S443 VanDerWaalsContact O-N 3.16Å; A440-I444 WeakPolarHBondContact O-CB 3.17Å; A440-I444 WeakPolarHBondContact O-CD1 3.3Å; A440-I444 VanDerWaalsContact O-CG1 3.31Å; A440-I444 WeakPolarHBondContact O-CG1 3.16Å; A440-I444 PolarHBondContact O-N 2.97Å; A440-F513 HydrophobicContact CB-CB 4Å; A440-F513 HydrophobicContact CB-CD1 4.29Å; A440-F513 HydrophobicContact CB-CD2 3.49Å; A440-F513 VanDerWaalsContact CB-CD2 3.49Å; A440-F513 HydrophobicContact CB-CE2 4Å; A440-F513 HydrophobicContact CB-CG 3.66Å
441	A	88.2	Confident	82.5	Confident	15 Å²	15	59.7 Å²	59.7	12%	0.124	34%	0.34	C	S	.	.	H	α-helix	trans	-58.1	-44.2	174.2	0	0	0	0	0	112	L436 P437 V438 I444 A445 A536	L436-A441 HydrophobicContact CB-CB 4.12Å; P437-A441 PolarHBondContact O-N 3.28Å; V438-A441 PolarHBondContact O-N 2.86Å; A441-I444 PolarHBondContact O-N 3.35Å; A441-A445 WeakPolarHBondContact O-CB 3.14Å; A441-A445 PolarHBondContact O-N 3.33Å; A441-A536 HydrophobicContact CB-CB 4.14Å
442	Q	90.1	Very high	83.8	Confident	109 Å²	109	61.6 Å²	61.6	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-60.9	-45.5	173.1	-76.6	170.9	-17.4	0	0	112.3	V438 A440 I444 A445 I446	V438-Q442 HydrophobicContact CG1-CG 4.38Å; V438-Q442 WeakPolarHBondContact O-CB 3.34Å; V438-Q442 WeakPolarHBondContact O-CG 3.47Å; V438-Q442 PolarHBondContact O-N 3.5Å; A440-Q442 VanDerWaalsContact C-N 3.33Å; A440-Q442 PolarHBondContact O-N 3.15Å; Q442-I444 VanDerWaalsContact C-N 3.34Å; Q442-I444 PolarHBondContact O-N 3.39Å; Q442-A445 PolarHBondContact O-N 2.92Å; Q442-I446 WeakPolarHBondContact O-CB 3.29Å; Q442-I446 WeakPolarHBondContact O-CD1 3.38Å; Q442-I446 WeakPolarHBondContact O-CG1 3.42Å; Q442-I446 PolarHBondContact O-N 3.04Å
443	S	90.8	Very high	85	Confident	45 Å²	45	58.5 Å²	58.5	32%	0.315	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-39.1	178.5	-166	0	0	0	0	112.5	K439 A440 A447	K439-S443 WeakPolarHBondContact O-CB 3.44Å; K439-S443 PolarHBondContact O-N 3.29Å; A440-S443 PolarHBondContact O-N 3.28Å; A440-S443 VanDerWaalsContact O-N 3.16Å; S443-A447 VanDerWaalsContact O-CB 3.3Å; S443-A447 WeakPolarHBondContact O-CB 3.42Å; S443-A447 PolarHBondContact O-N 3.48Å
444	I	89.6	Confident	86	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-46.9	175.5	-73.2	163	0	0	0	110.4	L436 A440 A441 Q442 A447 M448 L506 L510 A536 L539	L436-I444 HydrophobicContact CD1-CD1 3.9Å; A440-I444 WeakPolarHBondContact O-CB 3.17Å; A440-I444 WeakPolarHBondContact O-CD1 3.3Å; A440-I444 VanDerWaalsContact O-CG1 3.31Å; A440-I444 WeakPolarHBondContact O-CG1 3.16Å; A440-I444 PolarHBondContact O-N 2.97Å; A441-I444 PolarHBondContact O-N 3.35Å; Q442-I444 VanDerWaalsContact C-N 3.34Å; Q442-I444 PolarHBondContact O-N 3.39Å; I444-A447 PolarHBondContact O-N 2.99Å; I444-M448 HydrophobicContact CG2-CE 3.87Å; I444-M448 WeakPolarHBondContact O-CG 3.44Å; I444-M448 PolarHBondContact O-N 2.98Å; I444-L506 HydrophobicContact CB-CD1 4.11Å; I444-L506 HydrophobicContact CG1-CD1 4.08Å; I444-L506 HydrophobicContact CG2-CD1 3.73Å; I444-L510 HydrophobicContact CD1-CD2 3.82Å; I444-L510 HydrophobicContact CD1-CG 4.24Å; I444-L510 HydrophobicContact CG1-CD2 4.48Å; I444-L510 HydrophobicContact CG1-CG 4.49Å; I444-A536 HydrophobicContact CB-CB 3.98Å; I444-A536 HydrophobicContact CG2-CB 3.51Å; I444-L539 HydrophobicContact CG2-CD2 4.28Å
445	A	88.4	Confident	86.7	Confident	28 Å²	28	54 Å²	54	23%	0.231	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-44.8	177.4	0	0	0	0	0	112.2	A441 Q442 M448 A449	A441-A445 WeakPolarHBondContact O-CB 3.14Å; A441-A445 PolarHBondContact O-N 3.33Å; Q442-A445 PolarHBondContact O-N 2.92Å; A445-M448 PolarHBondContact O-N 2.95Å; A445-A449 VanDerWaalsContact O-CB 3.22Å; A445-A449 WeakPolarHBondContact O-CB 3.46Å; A445-A449 PolarHBondContact O-N 3.46Å
446	I	89.8	Confident	87.2	Confident	120 Å²	120	56.9 Å²	56.9	62%	0.615	32%	0.319	S	S	*	.	H	α-helix	trans	-61.4	-45.2	176	-70.1	163.6	0	0	0	110.7	Q442 A449 S450	Q442-I446 WeakPolarHBondContact O-CB 3.29Å; Q442-I446 WeakPolarHBondContact O-CD1 3.38Å; Q442-I446 WeakPolarHBondContact O-CG1 3.42Å; Q442-I446 PolarHBondContact O-N 3.04Å; I446-A449 PolarHBondContact O-N 3.28Å; I446-S450 VanDerWaalsContact O-CB 3.26Å; I446-S450 WeakPolarHBondContact O-CB 3.29Å; I446-S450 PolarHBondContact O-N 2.94Å; I446-S450 PolarHBondContact O-OG 3.49Å
447	A	88.7	Confident	87.5	Confident	5 Å²	5	57 Å²	57	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-48.8	179.1	0	0	0	0	0	111.7	S443 I444 S450 A451 L506	S443-A447 VanDerWaalsContact O-CB 3.3Å; S443-A447 WeakPolarHBondContact O-CB 3.42Å; S443-A447 PolarHBondContact O-N 3.48Å; I444-A447 PolarHBondContact O-N 2.99Å; A447-S450 PolarHBondContact O-N 3.06Å; A447-S450 PolarHBondContact O-OG 3.1Å; A447-A451 PolarHBondContact O-N 2.93Å; A447-L506 HydrophobicContact CB-CB 3.92Å; A447-L506 HydrophobicContact CB-CD1 4.42Å
448	M	87	Confident	87.6	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-45.1	176.5	-70.4	-172.1	-57.6	0	0	112.4	I444 A445 A451 H452 L453 P455 L506 E535 L539	I444-M448 HydrophobicContact CG2-CE 3.87Å; I444-M448 WeakPolarHBondContact O-CG 3.44Å; I444-M448 PolarHBondContact O-N 2.98Å; A445-M448 PolarHBondContact O-N 2.95Å; M448-A451 CarbonylContact O-C 3.56Å; M448-A451 PolarHBondContact O-N 2.88Å; M448-H452 PolarHBondContact O-N 2.96Å; M448-L453 PolarHBondContact O-N 2.94Å; M448-P455 HydrophobicContact SD-CB 4.22Å; M448-L506 HydrophobicContact CG-CD1 4.07Å; M448-L506 HydrophobicContact CG-CD2 3.92Å; M448-E535 HydrophobicContact CE-CB 3.64Å; M448-L539 HydrophobicContact SD-CB 4.5Å; M448-L539 HydrophobicContact SD-CD2 3.75Å
449	A	87.8	Confident	87.7	Confident	64 Å²	64	48.9 Å²	48.9	53%	0.529	27%	0.269	S	S	.	.	H	α-helix	trans	-63	-43	178.8	0	0	0	0	0	112.2	A445 I446 A451 H452	A445-A449 VanDerWaalsContact O-CB 3.22Å; A445-A449 WeakPolarHBondContact O-CB 3.46Å; A445-A449 PolarHBondContact O-N 3.46Å; I446-A449 PolarHBondContact O-N 3.28Å; A449-A451 PolarHBondContact O-N 2.87Å; A449-H452 PolarHBondContact O-N 2.71Å; A449-H452 VanDerWaalsContact O-N 3.13Å; A449-H452 PolarHBondContact O-ND1 3.5Å
450	S	87.1	Confident	87.6	Confident	89 Å²	89	45.4 Å²	45.4	62%	0.622	25%	0.251	S	S	*	.	H	α-helix	trans	-65.2	-26.1	178.6	72.4	0	0	0	0	113.7	I446 A447	I446-S450 VanDerWaalsContact O-CB 3.26Å; I446-S450 WeakPolarHBondContact O-CB 3.29Å; I446-S450 PolarHBondContact O-N 2.94Å; I446-S450 PolarHBondContact O-OG 3.49Å; A447-S450 PolarHBondContact O-N 3.06Å; A447-S450 PolarHBondContact O-OG 3.1Å
451	A	84.7	Confident	87.5	Confident	8 Å²	8	45.7 Å²	45.7	7%	0.066	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	6.5	176.1	0	0	0	0	0	113.1	A447 M448 A449 L453 Q500 P503	A447-A451 PolarHBondContact O-N 2.93Å; M448-A451 CarbonylContact O-C 3.56Å; M448-A451 PolarHBondContact O-N 2.88Å; A449-A451 PolarHBondContact O-N 2.87Å; A451-L453 HydrophobicContact CB-CD1 3.77Å; A451-L453 HydrophobicContact CB-CD2 4.43Å; A451-L453 HydrophobicContact CB-CG 3.66Å; A451-L453 WeakPolarHBondContact O-CD2 3.38Å; A451-L453 WeakPolarHBondContact O-CG 3.45Å; A451-L453 PolarHBondContact O-N 3.34Å; A451-Q500 PolarHBondContact O-NE2 3.3Å; A451-Q500 PolarHBondContact O-OE1 3.33Å; A451-P503 HydrophobicContact CB-CG 4.02Å
452	H	83.9	Confident	87.4	Confident	148 Å²	148	45 Å²	45	69%	0.685	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	36.5	-176.4	-57.6	-52.4	0	0	0	114.6	M448 A449	M448-H452 PolarHBondContact O-N 2.96Å; A449-H452 PolarHBondContact O-N 2.71Å; A449-H452 VanDerWaalsContact O-N 3.13Å; A449-H452 PolarHBondContact O-ND1 3.5Å
453	L	86.3	Confident	87.2	Confident	11 Å²	11	40.6 Å²	40.6	6%	0.058	23%	0.227	C	C	.	.			trans	-94.2	126.5	-175.8	-56.7	178.6	0	0	0	111.7	M448 A451 V458 V469 L471 P503	M448-L453 PolarHBondContact O-N 2.94Å; A451-L453 HydrophobicContact CB-CD1 3.77Å; A451-L453 HydrophobicContact CB-CD2 4.43Å; A451-L453 HydrophobicContact CB-CG 3.66Å; A451-L453 WeakPolarHBondContact O-CD2 3.38Å; A451-L453 WeakPolarHBondContact O-CG 3.45Å; A451-L453 PolarHBondContact O-N 3.34Å; L453-V458 HydrophobicContact CB-CG2 3.62Å; L453-V458 HydrophobicContact CD1-CG2 3.97Å; L453-V458 HydrophobicContact CG-CG2 4.36Å; L453-V469 HydrophobicContact CD1-CG2 4.36Å; L453-V469 HydrophobicContact CD2-CB 3.87Å; L453-V469 HydrophobicContact CD2-CG1 4.06Å; L453-V469 HydrophobicContact CD2-CG2 4.09Å; L453-L471 HydrophobicContact CD2-CD1 4.32Å; L453-P503 HydrophobicContact CD1-CG 4.45Å
454	N	86.7	Confident	86.9	Confident	80 Å²	80	39.8 Å²	39.8	43%	0.428	22%	0.218	S	C	.	.			trans	-73.6	140.2	169.2	-54.8	-54.8	0	0	0	109.9	E456 D457 V458	N454-E456 PolarHBondContact O-N 2.86Å; N454-E456 VanDerWaalsContact O-N 3.16Å; N454-D457 HydrophobicContact CB-CB 4.42Å; N454-D457 WeakPolarHBondContact CB-OD2 3.34Å; N454-D457 PolarHBondContact ND2-OD2 3.46Å; N454-D457 PolarHBondContact O-N 2.79Å; N454-D457 VanDerWaalsContact O-N 3.08Å; N454-V458 WeakPolarHBondContact O-CG2 3.37Å; N454-V458 PolarHBondContact O-N 3.5Å; N454-V458 VanDerWaalsContact O-N 3.08Å
455	P	85.3	Confident	86.7	Confident	14 Å²	14	40.1 Å²	40.1	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-29.1	179.3	25.3	-34.8	0	0	0	112.5	M448 A459 E535 K538 L539 M542	M448-P455 HydrophobicContact SD-CB 4.22Å; P455-A459 VanDerWaalsContact O-CB 3.26Å; P455-A459 WeakPolarHBondContact O-CB 3.23Å; P455-A459 PolarHBondContact O-N 3.45Å; P455-E535 HydrophobicContact CG-CB 4.4Å; P455-K538 HydrophobicContact CG-CD 4Å; P455-K538 HydrophobicContact CG-CG 4.34Å; P455-L539 HydrophobicContact CB-CB 3.85Å; P455-L539 WeakPolarHBondContact O-CD1 3.06Å; P455-M542 HydrophobicContact CB-CE 3.85Å; P455-M542 HydrophobicContact CG-CE 4.4Å; P455-M542 VanDerWaalsContact O-CE 3.27Å; P455-M542 WeakPolarHBondContact O-CE 3.36Å
456	E	86.7	Confident	86.4	Confident	91 Å²	91	43.7 Å²	43.7	43%	0.425	23%	0.23	S	C	.	.	H	α-helix	trans	-67.7	-38.1	176.4	-73.7	166.2	-139.2	0	0	112.8	N454 R460 K538 M542	N454-E456 PolarHBondContact O-N 2.86Å; N454-E456 VanDerWaalsContact O-N 3.16Å; E456-R460 WeakPolarHBondContact O-CB 3.41Å; E456-R460 PolarHBondContact O-N 3.49Å; E456-R460 VanDerWaalsContact O-N 3.08Å; E456-K538 VanDerWaalsContact OE1-CE 3.31Å; E456-K538 WeakPolarHBondContact OE1-CE 3.24Å; E456-K538 IonicContact OE1-NZ 3.19Å; E456-K538 PolarHBondContact OE1-NZ 3.37Å; E456-M542 HydrophobicContact CB-CE 4.34Å; E456-M542 HydrophobicContact CB-SD 4.34Å; E456-M542 HydrophobicContact CG-CE 3.84Å; E456-M542 HydrophobicContact CG-SD 3.56Å; E456-M542 VanDerWaalsContact CG-SD 3.56Å
457	D	86.5	Confident	85.8	Confident	13 Å²	13	40.6 Å²	40.6	7%	0.07	22%	0.217	C	C	.	.	H	α-helix	trans	-77.7	-36.7	-179.9	-60	-40.3	0	0	0	110.7	N454 R460 S461 V469	N454-D457 HydrophobicContact CB-CB 4.42Å; N454-D457 WeakPolarHBondContact CB-OD2 3.34Å; N454-D457 PolarHBondContact ND2-OD2 3.46Å; N454-D457 PolarHBondContact O-N 2.79Å; N454-D457 VanDerWaalsContact O-N 3.08Å; D457-R460 PolarHBondContact O-N 3.35Å; D457-R460 IonicContact OD1-CZ 2.69Å; D457-R460 IonicContact OD1-NH1 2.66Å; D457-R460 PolarHBondContact OD1-NH1 3.22Å; D457-R460 IonicContact OD1-NH2 2.67Å; D457-R460 PolarHBondContact OD1-NH2 2.81Å; D457-R460 VanDerWaalsContact OD1-NH2 3.1Å; D457-S461 PolarHBondContact O-N 2.86Å; D457-V469 HydrophobicContact CB-CG1 3.48Å; D457-V469 VanDerWaalsContact CB-CG1 3.48Å
458	V	87.9	Confident	85	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-48.3	170	178.3	0	0	0	0	111.1	L453 N454 R460 S461 I462 V469 L506 L539	L453-V458 HydrophobicContact CB-CG2 3.62Å; L453-V458 HydrophobicContact CD1-CG2 3.97Å; L453-V458 HydrophobicContact CG-CG2 4.36Å; N454-V458 WeakPolarHBondContact O-CG2 3.37Å; N454-V458 PolarHBondContact O-N 3.5Å; N454-V458 VanDerWaalsContact O-N 3.08Å; V458-R460 VanDerWaalsContact C-N 3.3Å; V458-R460 PolarHBondContact O-N 2.99Å; V458-S461 PolarHBondContact O-N 2.89Å; V458-I462 HydrophobicContact CG1-CD1 3.79Å; V458-I462 HydrophobicContact CG1-CG1 4.44Å; V458-I462 WeakPolarHBondContact O-CG1 3.46Å; V458-I462 PolarHBondContact O-N 3.34Å; V458-V469 HydrophobicContact CG2-CG2 4.49Å; V458-L506 HydrophobicContact CG1-CD2 4.12Å; V458-L539 HydrophobicContact CB-CD1 4.02Å; V458-L539 HydrophobicContact CG1-CD1 3.77Å; V458-L539 HydrophobicContact CG1-CD2 4.02Å
459	A	88	Confident	83.9	Confident	3 Å²	3	42.5 Å²	42.5	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-42.9	177.9	0	0	0	0	0	111.6	P455 I462 I463 L539 M542 I543	P455-A459 VanDerWaalsContact O-CB 3.26Å; P455-A459 WeakPolarHBondContact O-CB 3.23Å; P455-A459 PolarHBondContact O-N 3.45Å; A459-I462 PolarHBondContact O-N 3.03Å; A459-I463 WeakPolarHBondContact O-CB 3.34Å; A459-I463 WeakPolarHBondContact O-CD1 3.44Å; A459-I463 VanDerWaalsContact O-CG1 3.26Å; A459-I463 WeakPolarHBondContact O-CG1 3.4Å; A459-I463 PolarHBondContact O-N 3.15Å; A459-L539 HydrophobicContact CB-CD1 3.97Å; A459-M542 HydrophobicContact CB-CB 3.7Å; A459-M542 HydrophobicContact CB-CE 4.06Å; A459-I543 HydrophobicContact CB-CG2 3.86Å
460	R	86.5	Confident	82.6	Confident	102 Å²	102	42.3 Å²	42.3	39%	0.385	22%	0.218	S	C	.	.	H	α-helix	trans	-63.8	-42.6	177.3	-159.7	-180	-46.9	101.8	6.6	112.3	E456 D457 V458 I463 E464	E456-R460 WeakPolarHBondContact O-CB 3.41Å; E456-R460 PolarHBondContact O-N 3.49Å; E456-R460 VanDerWaalsContact O-N 3.08Å; D457-R460 PolarHBondContact O-N 3.35Å; D457-R460 IonicContact OD1-CZ 2.69Å; D457-R460 IonicContact OD1-NH1 2.66Å; D457-R460 PolarHBondContact OD1-NH1 3.22Å; D457-R460 IonicContact OD1-NH2 2.67Å; D457-R460 PolarHBondContact OD1-NH2 2.81Å; D457-R460 VanDerWaalsContact OD1-NH2 3.1Å; V458-R460 VanDerWaalsContact C-N 3.3Å; V458-R460 PolarHBondContact O-N 2.99Å; R460-I463 PolarHBondContact O-N 2.84Å; R460-E464 WeakPolarHBondContact O-CB 3.33Å; R460-E464 WeakPolarHBondContact O-CG 3.37Å; R460-E464 PolarHBondContact O-N 3.41Å
461	S	86.6	Confident	81.2	Confident	9 Å²	9	40.4 Å²	40.4	6%	0.063	20%	0.201	C	C	.	.	H	α-helix	trans	-67.2	-34.1	175	-73.3	0	0	0	0	112.9	D457 V458 L465 K466 T468	D457-S461 PolarHBondContact O-N 2.86Å; V458-S461 PolarHBondContact O-N 2.89Å; S461-L465 CarbonylContact O-C 3.59Å; S461-L465 WeakPolarHBondContact O-CA 3.48Å; S461-L465 PolarHBondContact O-N 3.45Å; S461-K466 PolarHBondContact O-N 3.09Å; S461-T468 PolarHBondContact OG-O 3.23Å
462	I	87.7	Confident	79.3	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-65.8	-42.7	172.4	-69.2	166.8	0	0	0	111.4	V458 A459 L465 L510 L539 I543 L546 L554 L557	V458-I462 HydrophobicContact CG1-CD1 3.79Å; V458-I462 HydrophobicContact CG1-CG1 4.44Å; V458-I462 WeakPolarHBondContact O-CG1 3.46Å; V458-I462 PolarHBondContact O-N 3.34Å; A459-I462 PolarHBondContact O-N 3.03Å; I462-L465 PolarHBondContact O-N 2.9Å; I462-L510 HydrophobicContact CD1-CD1 4.28Å; I462-L539 HydrophobicContact CD1-CD1 4.43Å; I462-I543 HydrophobicContact CB-CG2 4.29Å; I462-I543 HydrophobicContact CD1-CG2 4.04Å; I462-I543 HydrophobicContact CG2-CG2 4.15Å; I462-L546 HydrophobicContact CG2-CD1 4.29Å; I462-L554 HydrophobicContact CD1-CD2 4.22Å; I462-L554 HydrophobicContact CG2-CD2 4.02Å; I462-L557 HydrophobicContact CG1-CD2 3.79Å
463	I	85.1	Confident	77.2	Confident	16 Å²	16	53.4 Å²	53.4	8%	0.082	24%	0.242	C	C	.	.	H	α-helix	trans	-68	-37.5	178.5	-70.1	164.5	0	0	0	111.5	A459 R460 L546 A745	A459-I463 WeakPolarHBondContact O-CB 3.34Å; A459-I463 WeakPolarHBondContact O-CD1 3.44Å; A459-I463 VanDerWaalsContact O-CG1 3.26Å; A459-I463 WeakPolarHBondContact O-CG1 3.4Å; A459-I463 PolarHBondContact O-N 3.15Å; R460-I463 PolarHBondContact O-N 2.84Å; I463-L546 HydrophobicContact CG1-CD1 4.17Å; I463-L546 HydrophobicContact CG1-CD2 4.1Å; I463-L546 HydrophobicContact CG1-CG 4.13Å; I463-A745 HydrophobicContact CG2-CB 4.14Å
464	E	84.4	Confident	74.7	Confident	28 Å²	28	58.2 Å²	58.2	13%	0.131	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3.5	-179.5	-64.6	177.2	-177.1	0	0	113.7	R460 K466 K744	R460-E464 WeakPolarHBondContact O-CB 3.33Å; R460-E464 WeakPolarHBondContact O-CG 3.37Å; R460-E464 PolarHBondContact O-N 3.41Å; E464-K466 VanDerWaalsContact C-N 3.26Å; E464-K466 HydrophobicContact CB-CD 4.11Å; E464-K466 HydrophobicContact CB-CG 4.16Å; E464-K466 PolarHBondContact O-N 3.03Å; E464-K466 VanDerWaalsContact OE2-CE 3.26Å; E464-K466 WeakPolarHBondContact OE2-CE 3.48Å; E464-K466 IonicContact OE2-NZ 2.62Å; E464-K466 PolarHBondContact OE2-NZ 2.66Å; E464-K744 VanDerWaalsContact OE1-CE 3.25Å; E464-K744 WeakPolarHBondContact OE1-CE 3.25Å; E464-K744 IonicContact OE1-NZ 3.24Å; E464-K744 PolarHBondContact OE1-NZ 3.47Å
465	L	85	Confident	72.1	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.031	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	39.2	-172.3	-65.1	-173.6	0	0	0	114.9	S461 I462 H553 A556 L557 L560 F749 V752 V753	S461-L465 CarbonylContact O-C 3.59Å; S461-L465 WeakPolarHBondContact O-CA 3.48Å; S461-L465 PolarHBondContact O-N 3.45Å; I462-L465 PolarHBondContact O-N 2.9Å; L465-H553 HydrophobicContact CD2-CB 4.16Å; L465-H553 WeakPolarHBondContact CD2-O 3.46Å; L465-A556 HydrophobicContact CD1-CB 4.09Å; L465-A556 HydrophobicContact CD2-CB 4.21Å; L465-L557 HydrophobicContact CD2-CB 4.29Å; L465-L560 HydrophobicContact CB-CD1 4.04Å; L465-L560 HydrophobicContact CD1-CD1 4.27Å; L465-F749 HydrophobicContact CD1-CB 4.29Å; L465-F749 HydrophobicContact CD1-CD2 3.77Å; L465-F749 HydrophobicContact CD1-CE2 4.38Å; L465-F749 HydrophobicContact CD1-CG 4.19Å; L465-V752 HydrophobicContact CB-CB 4.35Å; L465-V752 HydrophobicContact CB-CG1 4.17Å; L465-V752 HydrophobicContact CD1-CB 4.37Å; L465-V753 HydrophobicContact CD1-CG2 3.5Å
466	K	83.2	Confident	69.7	Low	103 Å²	103	66.3 Å²	66.3	45%	0.448	32%	0.321	S	S	.	.			trans	-87.5	123.8	175.5	-70	174	175	168.9	0	110.2	S461 E464 T468 I502	S461-K466 PolarHBondContact O-N 3.09Å; E464-K466 VanDerWaalsContact C-N 3.26Å; E464-K466 HydrophobicContact CB-CD 4.11Å; E464-K466 HydrophobicContact CB-CG 4.16Å; E464-K466 PolarHBondContact O-N 3.03Å; E464-K466 VanDerWaalsContact OE2-CE 3.26Å; E464-K466 WeakPolarHBondContact OE2-CE 3.48Å; E464-K466 IonicContact OE2-NZ 2.62Å; E464-K466 PolarHBondContact OE2-NZ 2.66Å; K466-T468 WeakPolarHBondContact CB-O 3.43Å; K466-T468 PolarHBondContact O-N 2.81Å; K466-I502 WeakPolarHBondContact O-CD1 3.36Å
467	T	77.4	Confident	67	Low	56 Å²	56	70.6 Å²	70.6	34%	0.344	34%	0.339	S	S	.	.	S	Bend	trans	-67	-18.3	173.9	54.5	0	0	0	0	113	P501 I502 L560 I561	T467-P501 WeakPolarHBondContact O-CA 3.37Å; T467-I502 PolarHBondContact O-N 3.3Å; T467-L560 HydrophobicContact CG2-CB 3.85Å; T467-I561 HydrophobicContact CG2-CG1 3.82Å
468	T	70.8	Confident	64.7	Low	48 Å²	48	75.9 Å²	75.9	29%	0.294	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	153.4	175.5	57.7	0	0	0	0	112.9	S461 K466 F499 Q500	S461-T468 PolarHBondContact OG-O 3.23Å; K466-T468 WeakPolarHBondContact CB-O 3.43Å; K466-T468 PolarHBondContact O-N 2.81Å; T468-F499 HydrophobicContact CG2-CB 4.36Å; T468-Q500 CarbonylContact C-O 3.51Å; T468-Q500 VanDerWaalsContact CA-O 3.3Å; T468-Q500 WeakPolarHBondContact CA-O 3.47Å
469	V	64.9	Low	61.9	Low	2 Å²	2	83 Å²	83	1%	0.012	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.6	172.5	-169.3	0	0	0	0	108.7	L453 D457 V458 Q500 I502	L453-V469 HydrophobicContact CD1-CG2 4.36Å; L453-V469 HydrophobicContact CD2-CB 3.87Å; L453-V469 HydrophobicContact CD2-CG1 4.06Å; L453-V469 HydrophobicContact CD2-CG2 4.09Å; D457-V469 HydrophobicContact CB-CG1 3.48Å; D457-V469 VanDerWaalsContact CB-CG1 3.48Å; V458-V469 HydrophobicContact CG2-CG2 4.49Å; V469-Q500 PolarHBondContact N-O 3.16Å; V469-Q500 PolarHBondContact O-N 3.29Å; V469-Q500 VanDerWaalsContact O-N 3.08Å; V469-I502 HydrophobicContact CG2-CD1 4.27Å; V469-I502 HydrophobicContact CG2-CG1 3.63Å
470	N	59.8	Low	59.3	Low	59 Å²	59	91.7 Å²	91.7	32%	0.316	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	114	179.4	-176.2	-54.6	0	0	0	109.5	R472 F499	N470-R472 PolarHBondContact O-N 3.17Å; N470-F499 HydrophobicContact CB-CE1 4.38Å
471	L	57.6	Low	56.6	Low	50 Å²	50	93.5 Å²	93.5	26%	0.262	47%	0.469	S	S	.	.			trans	-79.1	89.1	-175.9	-78.9	73.5	0	0	0	111.3	L453 R473 Q500	L453-L471 HydrophobicContact CD2-CD1 4.32Å; L471-R473 VanDerWaalsContact C-N 3.33Å; L471-R473 PolarHBondContact O-N 2.8Å; L471-Q500 HydrophobicContact CD1-CB 3.94Å
472	R	45.4	Very low	54.3	Low	207 Å²	207	99.6 Å²	99.6	78%	0.781	51%	0.506	S	S	*	.			trans	-70.5	85	168.5	-93.3	-169.8	169.2	-170.2	-2.2	111.2	N470 S474	N470-R472 PolarHBondContact O-N 3.17Å; R472-S474 VanDerWaalsContact C-N 3.34Å; R472-S474 PolarHBondContact O-N 3.31Å
473	R	38.7	Very low	51.7	Low	222 Å²	222	108.6 Å²	108.6	84%	0.838	55%	0.545	S	S	*	.			trans	-69.8	88.5	170.8	-169	-178.5	-64.4	-178.6	1	110.5	L471 K475	L471-R473 VanDerWaalsContact C-N 3.33Å; L471-R473 PolarHBondContact O-N 2.8Å; R473-K475 PolarHBondContact O-N 3.08Å
474	S	33.9	Very low	49.6	Very low	112 Å²	112	117 Å²	117	78%	0.783	58%	0.584	S	S	*	*			trans	-55.8	120.3	173	-176.7	0	0	0	0	110.9	R472	R472-S474 VanDerWaalsContact C-N 3.34Å; R472-S474 PolarHBondContact O-N 3.31Å
475	K	33.2	Very low	47.2	Very low	153 Å²	153	125.1 Å²	125.1	67%	0.665	62%	0.618	S	S	*	*			trans	-91	109.3	164.2	-77.1	-174.5	176.8	-179.2	0	108.2	R473 F477	R473-K475 PolarHBondContact O-N 3.08Å; K475-F477 PolarHBondContact O-N 2.76Å
476	S	33.8	Very low	45	Very low	111 Å²	111	129.4 Å²	129.4	78%	0.776	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-68.1	116.2	167	51.1	0	0	0	0	109.9
477	F	31.8	Very low	42.6	Very low	181 Å²	181	132.8 Å²	132.8	79%	0.794	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-83.9	135.4	164	-77.2	-89.2	0	0	0	109.2	K475	K475-F477 PolarHBondContact O-N 2.76Å
478	P	37.4	Very low	40.4	Very low	123 Å²	123	136.4 Å²	136.4	80%	0.799	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-68	148.8	169.5	30.6	-33.9	0	0	0	110.1
479	N	28.2	Very low	38.8	Very low	149 Å²	149	143.4 Å²	143.4	80%	0.797	71%	0.71	S	S	*	*			trans	-98.9	113.3	-174	178.7	40.5	0	0	0	110.7
480	E	33.4	Very low	37.2	Very low	187 Å²	187	149.1 Å²	149.1	87%	0.874	75%	0.75	S	S	*	*			trans	-145.1	141	166.6	-157.5	159.7	-128.4	0	0	111.7
481	N	30.6	Very low	35.8	Very low	140 Å²	140	151.1 Å²	151.1	75%	0.749	77%	0.768	S	S	*	*			trans	-92	135.3	-173.7	-60.6	-82.3	0	0	0	110.8
482	T	37.5	Very low	34.3	Very low	136 Å²	136	158 Å²	158	83%	0.834	80%	0.797	S	S	*	*			trans	-166.8	140.4	133.6	-82.5	0	0	0	0	110.1
483	K	33.5	Very low	33.7	Very low	191 Å²	191	154.7 Å²	154.7	83%	0.83	79%	0.794	S	S	*	*			trans	-74.8	138.5	173.4	-59.3	166.3	-179.8	170.8	0	109.6
484	H	41.5	Very low	33.3	Very low	194 Å²	194	150.6 Å²	150.6	90%	0.898	79%	0.794	S	S	*	*			trans	-161.9	175.8	134.7	-103.5	-69.7	0	0	0	110.4
485	K	34.4	Very low	33.1	Very low	197 Å²	197	149.7 Å²	149.7	86%	0.857	79%	0.787	S	S	*	*			trans	-97.1	178.3	-164.4	-88.5	-173.5	172.6	-173.8	0	113.9
486	S	37.5	Very low	33.3	Very low	96 Å²	96	148.4 Å²	148.4	67%	0.671	79%	0.792	S	S	*	*			trans	79.3	102.1	155.3	63.1	0	0	0	0	120
487	E	32.4	Very low	33.8	Very low	175 Å²	175	147 Å²	147	82%	0.818	78%	0.779	S	S	*	*				75	127.2	121	-69.9	158	-160.7	0	0	121.6
488	D	31.6	Very low	34.8	Very low	132 Å²	132	143.8 Å²	143.8	71%	0.706	77%	0.769	S	S	*	*			trans	45.2	106.2	144.4	-61.9	2.4	0	0	0	120.6
489	K	37.8	Very low	36	Very low	194 Å²	194	143.8 Å²	143.8	84%	0.843	76%	0.757	S	S	*	*				-164.7	154.4	98.4	-96.1	136.1	-154.4	136.3	0	114.7
490	S	30.6	Very low	38.1	Very low	123 Å²	123	139.5 Å²	139.5	86%	0.86	73%	0.732	S	S	*	*			trans	-64.5	125.7	173.8	44.1	0	0	0	0	112.1
491	S	30.3	Very low	40.2	Very low	100 Å²	100	134.9 Å²	134.9	70%	0.699	72%	0.719	S	S	*	*			trans	-152.8	123.9	166.6	52.2	0	0	0	0	112.8
492	F	27.9	Very low	42.6	Very low	196 Å²	196	128.5 Å²	128.5	86%	0.86	69%	0.685	S	S	*	*			trans	25.9	118.4	152.1	-61.1	-93.8	0	0	0	120.2
493	L	32	Very low	44.8	Very low	137 Å²	137	123.5 Å²	123.5	72%	0.717	65%	0.654	S	S	*	*			trans	-166.1	71.3	134.9	-108.4	178.7	0	0	0	112.8	S495	L493-S495 PolarHBondContact O-N 3.48Å; L493-S495 PolarHBondContact O-OG 3Å
494	T	29.1	Very low	47.3	Very low	136 Å²	136	117.6 Å²	117.6	83%	0.834	63%	0.632	S	S	*	*			trans	-63.4	101	164.9	23.7	0	0	0	0	109.6	T496	T494-T496 PolarHBondContact O-N 3.3Å
495	S	31.4	Very low	49.4	Very low	92 Å²	92	112.7 Å²	112.7	64%	0.643	62%	0.615	S	S	*	*			trans	-87	96.4	-172.8	-64.8	0	0	0	0	111.1	L493 T497	L493-S495 PolarHBondContact O-N 3.48Å; L493-S495 PolarHBondContact O-OG 3Å; S495-T497 PolarHBondContact O-N 3.25Å
496	T	36.7	Very low	51.9	Low	127 Å²	127	103.3 Å²	103.3	78%	0.779	58%	0.575	S	S	*	*			trans	-59	100.7	178.5	-51.7	0	0	0	0	111.8	T494 L498	T494-T496 PolarHBondContact O-N 3.3Å; T496-L498 PolarHBondContact O-N 2.88Å; T496-L498 VanDerWaalsContact O-N 3.15Å
497	T	44.2	Very low	54.3	Low	81 Å²	81	98.8 Å²	98.8	50%	0.497	54%	0.543	S	S	.	.			trans	-77.3	100	176.7	49.5	0	0	0	0	110.5	S495 F499	S495-T497 PolarHBondContact O-N 3.25Å; T497-F499 VanDerWaalsContact O-CD2 3.32Å; T497-F499 WeakPolarHBondContact O-CD2 3.3Å; T497-F499 PolarHBondContact O-N 3.45Å; T497-F499 WeakPolarHBondContact OG1-CE2 3.41Å
498	L	52.8	Low	57	Low	113 Å²	113	92.9 Å²	92.9	59%	0.592	52%	0.517	S	S	*	.			trans	-69.9	117.5	168.3	-72.5	166.8	0	0	0	109.6	T496	T496-L498 PolarHBondContact O-N 2.88Å; T496-L498 VanDerWaalsContact O-N 3.15Å
499	F	62.1	Low	59.8	Low	123 Å²	123	87.7 Å²	87.7	54%	0.539	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.8	169.6	-67.5	-88.4	0	0	0	109	T468 N470 T497	T468-F499 HydrophobicContact CG2-CB 4.36Å; N470-F499 HydrophobicContact CB-CE1 4.38Å; T497-F499 VanDerWaalsContact O-CD2 3.32Å; T497-F499 WeakPolarHBondContact O-CD2 3.3Å; T497-F499 PolarHBondContact O-N 3.45Å; T497-F499 WeakPolarHBondContact OG1-CE2 3.41Å
500	Q	72.2	Confident	62.2	Low	60 Å²	60	78.8 Å²	78.8	28%	0.28	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132	-177.4	-165.4	164.6	-12.7	0	0	109.9	A451 T468 V469 L471	A451-Q500 PolarHBondContact O-NE2 3.3Å; A451-Q500 PolarHBondContact O-OE1 3.33Å; T468-Q500 CarbonylContact C-O 3.51Å; T468-Q500 VanDerWaalsContact CA-O 3.3Å; T468-Q500 WeakPolarHBondContact CA-O 3.47Å; V469-Q500 PolarHBondContact N-O 3.16Å; V469-Q500 PolarHBondContact O-N 3.29Å; V469-Q500 VanDerWaalsContact O-N 3.08Å; L471-Q500 HydrophobicContact CD1-CB 3.94Å
501	P	78.4	Confident	65	Low	90 Å²	90	74.9 Å²	74.9	58%	0.584	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	150.4	-178.2	28.1	-35	0	0	0	111.7	T467 P503	T467-P501 WeakPolarHBondContact O-CA 3.37Å; P501-P503 WeakPolarHBondContact O-CD 3.48Å
502	I	81.3	Confident	67.8	Low	6 Å²	6	75.7 Å²	75.7	3%	0.031	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-70.4	125.4	171.9	-65.7	175.8	0	0	0	108.8	K466 T467 V469 D504 L557 I561	K466-I502 WeakPolarHBondContact O-CD1 3.36Å; T467-I502 PolarHBondContact O-N 3.3Å; V469-I502 HydrophobicContact CG2-CD1 4.27Å; V469-I502 HydrophobicContact CG2-CG1 3.63Å; I502-D504 PolarHBondContact O-N 3.49Å; I502-L557 HydrophobicContact CD1-CD1 4.34Å; I502-L557 HydrophobicContact CD1-CD2 3.82Å; I502-I561 HydrophobicContact CB-CD1 4.24Å
503	P	83.1	Confident	70.7	Confident	30 Å²	30	70.7 Å²	70.7	20%	0.195	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-64.7	132.8	180	-22.8	33.5	0	0	0	112.9	A451 L453 P501 T505 L506 L507	A451-P503 HydrophobicContact CB-CG 4.02Å; L453-P503 HydrophobicContact CD1-CG 4.45Å; P501-P503 WeakPolarHBondContact O-CD 3.48Å; P503-T505 PolarHBondContact O-N 2.88Å; P503-L506 HydrophobicContact CB-CB 4.23Å; P503-L506 WeakPolarHBondContact O-CB 3.25Å; P503-L506 PolarHBondContact O-N 3.27Å; P503-L506 VanDerWaalsContact O-N 3.07Å; P503-L507 PolarHBondContact O-N 2.75Å
504	D	85	Confident	73.3	Confident	68 Å²	68	66.6 Å²	66.6	36%	0.364	37%	0.373	S	S	.	.	H	α-helix	trans	-54	-40.3	175	-66.5	-72.3	0	0	0	112.2	I502 L506 L507 D508 Q562	I502-D504 PolarHBondContact O-N 3.49Å; D504-L506 VanDerWaalsContact C-N 3.29Å; D504-L506 PolarHBondContact O-N 2.96Å; D504-L507 PolarHBondContact O-N 3.27Å; D504-L507 VanDerWaalsContact O-N 3.1Å; D504-D508 WeakPolarHBondContact O-CB 3.48Å; D504-D508 PolarHBondContact O-N 3.01Å; D504-Q562 WeakPolarHBondContact OD1-CG 3.25Å; D504-Q562 PolarHBondContact OD1-NE2 2.89Å
505	T	85.7	Confident	75.9	Confident	90 Å²	90	60.5 Å²	60.5	55%	0.552	34%	0.337	S	S	*	.	H	α-helix	trans	-62.5	-33.1	179.8	54	0	0	0	0	113.4	P503 T509	P503-T505 PolarHBondContact O-N 2.88Å; T505-T509 WeakPolarHBondContact O-CB 3.22Å; T505-T509 WeakPolarHBondContact O-CG2 3.36Å; T505-T509 PolarHBondContact O-N 3.16Å; T505-T509 VanDerWaalsContact O-N 3.16Å; T505-T509 PolarHBondContact O-OG1 3Å
506	L	87.9	Confident	78.5	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-69.7	-44.6	173.4	175.6	60.8	0	0	0	110.2	I444 A447 M448 V458 P503 D504 T509 L510 L539	I444-L506 HydrophobicContact CB-CD1 4.11Å; I444-L506 HydrophobicContact CG1-CD1 4.08Å; I444-L506 HydrophobicContact CG2-CD1 3.73Å; A447-L506 HydrophobicContact CB-CB 3.92Å; A447-L506 HydrophobicContact CB-CD1 4.42Å; M448-L506 HydrophobicContact CG-CD1 4.07Å; M448-L506 HydrophobicContact CG-CD2 3.92Å; V458-L506 HydrophobicContact CG1-CD2 4.12Å; P503-L506 HydrophobicContact CB-CB 4.23Å; P503-L506 WeakPolarHBondContact O-CB 3.25Å; P503-L506 PolarHBondContact O-N 3.27Å; P503-L506 VanDerWaalsContact O-N 3.07Å; D504-L506 VanDerWaalsContact C-N 3.29Å; D504-L506 PolarHBondContact O-N 2.96Å; L506-T509 PolarHBondContact O-OG1 3.42Å; L506-L510 HydrophobicContact CD1-CD1 4.19Å; L506-L510 HydrophobicContact CG-CD1 4.22Å; L506-L510 WeakPolarHBondContact O-CB 3.42Å; L506-L510 VanDerWaalsContact O-CG 3.26Å; L506-L510 WeakPolarHBondContact O-CG 3.49Å; L506-L510 PolarHBondContact O-N 2.84Å; L506-L539 HydrophobicContact CD1-CD2 4.38Å
507	L	88.2	Confident	80.8	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-70.6	-43.6	-177.4	-174.2	51	0	0	0	112.5	P503 D504 L510 I511 L554 L557 R558 I561	P503-L507 PolarHBondContact O-N 2.75Å; D504-L507 PolarHBondContact O-N 3.27Å; D504-L507 VanDerWaalsContact O-N 3.1Å; L507-L510 PolarHBondContact O-N 3.38Å; L507-I511 HydrophobicContact CD1-CD1 3.98Å; L507-I511 HydrophobicContact CD1-CG1 4.33Å; L507-I511 HydrophobicContact CG-CD1 3.93Å; L507-I511 WeakPolarHBondContact O-CB 3.07Å; L507-I511 VanDerWaalsContact O-CG1 3.25Å; L507-I511 WeakPolarHBondContact O-CG1 3.36Å; L507-I511 PolarHBondContact O-N 3.13Å; L507-L554 HydrophobicContact CD1-CB 4.17Å; L507-L554 HydrophobicContact CD1-CD2 3.74Å; L507-L557 HydrophobicContact CD1-CD2 4.14Å; L507-L557 HydrophobicContact CD2-CB 4.23Å; L507-L557 HydrophobicContact CD2-CD2 4.11Å; L507-L557 HydrophobicContact CD2-CG 3.86Å; L507-R558 HydrophobicContact CD2-CB 3.84Å; L507-R558 HydrophobicContact CD2-CG 4.42Å; L507-R558 HydrophobicContact CG-CB 4.29Å; L507-I561 HydrophobicContact CD2-CD1 3.95Å
508	D	88.9	Confident	82.7	Confident	50 Å²	50	58.2 Å²	58.2	27%	0.267	31%	0.313	S	S	.	.	H	α-helix	trans	-68.7	-34.8	175.9	-81	-36.9	0	0	0	112.2	D504 I511 N512 R558	D504-D508 WeakPolarHBondContact O-CB 3.48Å; D504-D508 PolarHBondContact O-N 3.01Å; D508-I511 PolarHBondContact O-N 2.89Å; D508-N512 VanDerWaalsContact O-CB 3.31Å; D508-N512 WeakPolarHBondContact O-CB 3.47Å; D508-N512 PolarHBondContact O-N 3Å; D508-N512 PolarHBondContact O-ND2 3.04Å; D508-R558 IonicContact OD1-NH1 3.17Å
509	T	89.4	Confident	84.2	Confident	23 Å²	23	56 Å²	56	14%	0.141	30%	0.301	C	S	.	.	H	α-helix	trans	-69.7	-36.8	172.3	48.4	0	0	0	0	112.3	T505 L506 F513	T505-T509 WeakPolarHBondContact O-CB 3.22Å; T505-T509 WeakPolarHBondContact O-CG2 3.36Å; T505-T509 PolarHBondContact O-N 3.16Å; T505-T509 VanDerWaalsContact O-N 3.16Å; T505-T509 PolarHBondContact O-OG1 3Å; L506-T509 PolarHBondContact O-OG1 3.42Å; T509-F513 WeakPolarHBondContact O-CB 3.42Å; T509-F513 WeakPolarHBondContact O-CD2 3.36Å; T509-F513 PolarHBondContact O-N 3.47Å; T509-F513 VanDerWaalsContact O-N 3.15Å
510	L	88.8	Confident	85.2	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-46.7	170.1	-73.8	167.1	0	0	0	111.7	I444 I462 L506 L507 F513 I514 L539 I543 L554	I444-L510 HydrophobicContact CD1-CD2 3.82Å; I444-L510 HydrophobicContact CD1-CG 4.24Å; I444-L510 HydrophobicContact CG1-CD2 4.48Å; I444-L510 HydrophobicContact CG1-CG 4.49Å; I462-L510 HydrophobicContact CD1-CD1 4.28Å; L506-L510 HydrophobicContact CD1-CD1 4.19Å; L506-L510 HydrophobicContact CG-CD1 4.22Å; L506-L510 WeakPolarHBondContact O-CB 3.42Å; L506-L510 VanDerWaalsContact O-CG 3.26Å; L506-L510 WeakPolarHBondContact O-CG 3.49Å; L506-L510 PolarHBondContact O-N 2.84Å; L507-L510 PolarHBondContact O-N 3.38Å; L510-F513 PolarHBondContact O-N 3.43Å; L510-I514 WeakPolarHBondContact O-CG1 3.48Å; L510-I514 PolarHBondContact O-N 3.01Å; L510-I514 VanDerWaalsContact O-N 3.11Å; L510-L539 HydrophobicContact CD1-CD2 4.15Å; L510-L539 HydrophobicContact CD2-CD2 4.46Å; L510-I543 HydrophobicContact CD2-CD1 4.22Å; L510-L554 HydrophobicContact CB-CD1 4.36Å; L510-L554 HydrophobicContact CB-CD2 4.48Å; L510-L554 HydrophobicContact CD1-CD2 4.5Å
511	I	89.3	Confident	85.7	Confident	41 Å²	41	48.7 Å²	48.7	21%	0.21	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-40.9	-179.3	-71.6	166.1	0	0	0	112.4	L507 D508 L554 R558	L507-I511 HydrophobicContact CD1-CD1 3.98Å; L507-I511 HydrophobicContact CD1-CG1 4.33Å; L507-I511 HydrophobicContact CG-CD1 3.93Å; L507-I511 WeakPolarHBondContact O-CB 3.07Å; L507-I511 VanDerWaalsContact O-CG1 3.25Å; L507-I511 WeakPolarHBondContact O-CG1 3.36Å; L507-I511 PolarHBondContact O-N 3.13Å; D508-I511 PolarHBondContact O-N 2.89Å; I511-L554 HydrophobicContact CD1-CB 4.25Å; I511-L554 HydrophobicContact CG1-CB 3.73Å; I511-L554 HydrophobicContact CG1-CD1 4.48Å; I511-R558 HydrophobicContact CD1-CB 3.99Å; I511-R558 HydrophobicContact CD1-CG 4.41Å
512	N	89.2	Confident	85.8	Confident	117 Å²	117	51.4 Å²	51.4	63%	0.626	27%	0.272	S	S	*	.	H	α-helix	trans	-77.7	-19.4	-178.3	-75.1	-67.9	0	0	0	113.6	D508	D508-N512 VanDerWaalsContact O-CB 3.31Å; D508-N512 WeakPolarHBondContact O-CB 3.47Å; D508-N512 PolarHBondContact O-N 3Å; D508-N512 PolarHBondContact O-ND2 3.04Å
513	F	88.7	Confident	85.8	Confident	91 Å²	91	51.8 Å²	51.8	40%	0.399	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	26.5	-177.5	-61.9	-72.3	0	0	0	113.8	L436 P437 A440 T509 L510 P515	L436-F513 HydrophobicContact CD2-CB 4.07Å; L436-F513 WeakPolarHBondContact CD2-O 3.35Å; P437-F513 HydrophobicContact CG-CD1 3.94Å; P437-F513 HydrophobicContact CG-CE1 4.32Å; A440-F513 HydrophobicContact CB-CB 4Å; A440-F513 HydrophobicContact CB-CD1 4.29Å; A440-F513 HydrophobicContact CB-CD2 3.49Å; A440-F513 VanDerWaalsContact CB-CD2 3.49Å; A440-F513 HydrophobicContact CB-CE2 4Å; A440-F513 HydrophobicContact CB-CG 3.66Å; T509-F513 WeakPolarHBondContact O-CB 3.42Å; T509-F513 WeakPolarHBondContact O-CD2 3.36Å; T509-F513 PolarHBondContact O-N 3.47Å; T509-F513 VanDerWaalsContact O-N 3.15Å; L510-F513 PolarHBondContact O-N 3.43Å; F513-P515 WeakPolarHBondContact O-CD 3.24Å
514	I	86.3	Confident	85.6	Confident	51 Å²	51	51.9 Å²	51.9	26%	0.262	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-55.5	125.2	171.4	-56.2	-179.6	0	0	0	109.3	L510 I520 P551 L554	L510-I514 WeakPolarHBondContact O-CG1 3.48Å; L510-I514 PolarHBondContact O-N 3.01Å; L510-I514 VanDerWaalsContact O-N 3.11Å; I514-I520 HydrophobicContact CG2-CD1 3.66Å; I514-P551 HydrophobicContact CD1-CB 4.07Å; I514-P551 HydrophobicContact CD1-CG 4.27Å; I514-L554 HydrophobicContact CD1-CD1 3.82Å; I514-L554 HydrophobicContact CG1-CD1 4.12Å
515	P	85.2	Confident	85.1	Confident	9 Å²	9	54.6 Å²	54.6	6%	0.058	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-61.9	157	176.1	-21.1	30.8	0	0	0	112.8	F513 M517 I519 I520 L540	F513-P515 WeakPolarHBondContact O-CD 3.24Å; P515-M517 PolarHBondContact O-N 2.86Å; P515-I519 HydrophobicContact CB-CB 4.4Å; P515-I520 HydrophobicContact CB-CG1 4.34Å; P515-I520 WeakPolarHBondContact O-CD1 3.31Å; P515-L540 HydrophobicContact CG-CD1 4.07Å; P515-L540 HydrophobicContact CG-CD2 3.76Å; P515-L540 HydrophobicContact CG-CG 4.48Å
516	P	85.7	Confident	84.2	Confident	85 Å²	85	52.4 Å²	52.4	55%	0.552	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-47.4	137.7	168.6	-28.8	34.5	0	0	0	112.6	D518 I519 I520	P516-D518 PolarHBondContact O-N 3.36Å; P516-D518 VanDerWaalsContact O-N 3.09Å; P516-I519 HydrophobicContact CB-CD1 4.42Å; P516-I519 HydrophobicContact CB-CG1 4.36Å; P516-I519 HydrophobicContact CG-CD1 4.29Å; P516-I519 WeakPolarHBondContact O-CB 3.28Å; P516-I519 PolarHBondContact O-N 3.32Å; P516-I520 PolarHBondContact O-N 3.42Å
517	M	85.5	Confident	83.3	Confident	55 Å²	55	61.6 Å²	61.6	27%	0.271	32%	0.317	S	S	.	.	H	α-helix	trans	-57.5	-31.7	-171.7	-169.5	58.2	51.6	0	0	113	P515 I519 I520 L521 P551	P515-M517 PolarHBondContact O-N 2.86Å; M517-I519 PolarHBondContact O-N 3.32Å; M517-I520 HydrophobicContact CE-CD1 3.95Å; M517-I520 PolarHBondContact O-N 2.96Å; M517-I520 HydrophobicContact SD-CB 4.38Å; M517-I520 HydrophobicContact SD-CD1 4.2Å; M517-L521 HydrophobicContact CG-CD1 4.17Å; M517-L521 WeakPolarHBondContact O-CD1 3.45Å; M517-L521 VanDerWaalsContact O-CG 3.27Å; M517-L521 WeakPolarHBondContact O-CG 3.46Å; M517-L521 PolarHBondContact O-N 2.93Å; M517-P551 HydrophobicContact CE-CG 3.75Å
518	D	83.1	Confident	82.3	Confident	111 Å²	111	64.5 Å²	64.5	59%	0.594	33%	0.332	S	S	*	.	H	α-helix	trans	-67.9	-20.8	177.9	-42.7	-73.4	0	0	0	113.1	P516 K522	P516-D518 PolarHBondContact O-N 3.36Å; P516-D518 VanDerWaalsContact O-N 3.09Å; D518-K522 VanDerWaalsContact O-CD 3.31Å; D518-K522 WeakPolarHBondContact O-CD 3.42Å; D518-K522 VanDerWaalsContact O-CG 3.27Å; D518-K522 WeakPolarHBondContact O-CG 3.08Å
519	I	83.4	Confident	81.1	Confident	67 Å²	67	68.9 Å²	68.9	34%	0.344	35%	0.351	S	S	.	.	H	α-helix	trans	-83.1	-45.4	171.7	-55.6	-176.1	0	0	0	109.8	L435 P515 P516 M517 L521 K522 L523	L435-I519 HydrophobicContact CD2-CG2 3.69Å; P515-I519 HydrophobicContact CB-CB 4.4Å; P516-I519 HydrophobicContact CB-CD1 4.42Å; P516-I519 HydrophobicContact CB-CG1 4.36Å; P516-I519 HydrophobicContact CG-CD1 4.29Å; P516-I519 WeakPolarHBondContact O-CB 3.28Å; P516-I519 PolarHBondContact O-N 3.32Å; M517-I519 PolarHBondContact O-N 3.32Å; I519-L521 VanDerWaalsContact C-N 3.25Å; I519-L521 PolarHBondContact O-N 3.06Å; I519-K522 PolarHBondContact O-N 3.28Å; I519-K522 VanDerWaalsContact O-N 3.14Å; I519-L523 HydrophobicContact CG2-CD1 4.05Å; I519-L523 HydrophobicContact CG2-CG 4.32Å; I519-L523 WeakPolarHBondContact O-CG 3.32Å; I519-L523 PolarHBondContact O-N 3.3Å
520	I	84.9	Confident	80.2	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-55.8	-42.7	177.6	-59.2	172.1	0	0	0	110.9	I514 P515 P516 M517 L523 S524 L550	I514-I520 HydrophobicContact CG2-CD1 3.66Å; P515-I520 HydrophobicContact CB-CG1 4.34Å; P515-I520 WeakPolarHBondContact O-CD1 3.31Å; P516-I520 PolarHBondContact O-N 3.42Å; M517-I520 HydrophobicContact CE-CD1 3.95Å; M517-I520 PolarHBondContact O-N 2.96Å; M517-I520 HydrophobicContact SD-CB 4.38Å; M517-I520 HydrophobicContact SD-CD1 4.2Å; I520-L523 PolarHBondContact O-N 2.95Å; I520-S524 PolarHBondContact O-N 2.77Å; I520-L550 HydrophobicContact CD1-CD2 4.22Å; I520-L550 HydrophobicContact CG2-CD2 4.43Å
521	L	82.3	Confident	79.2	Confident	30 Å²	30	73.8 Å²	73.8	16%	0.157	39%	0.385	C	S	.	.	H	α-helix	trans	-64.8	-43.9	178.9	-67.3	163.3	0	0	0	112	M517 I519 S524 E525 R547	M517-L521 HydrophobicContact CG-CD1 4.17Å; M517-L521 WeakPolarHBondContact O-CD1 3.45Å; M517-L521 VanDerWaalsContact O-CG 3.27Å; M517-L521 WeakPolarHBondContact O-CG 3.46Å; M517-L521 PolarHBondContact O-N 2.93Å; I519-L521 VanDerWaalsContact C-N 3.25Å; I519-L521 PolarHBondContact O-N 3.06Å; L521-S524 PolarHBondContact O-N 3.02Å; L521-S524 PolarHBondContact O-OG 2.67Å; L521-E525 WeakPolarHBondContact O-CG 3.4Å; L521-E525 PolarHBondContact O-N 3.47Å; L521-R547 HydrophobicContact CD2-CB 3.93Å; L521-R547 HydrophobicContact CD2-CG 4.19Å
522	K	81.1	Confident	78.3	Confident	146 Å²	146	74.4 Å²	74.4	64%	0.635	39%	0.389	S	S	*	.	H	α-helix	trans	-61.8	-44.1	175.2	-70.4	170.3	-173.8	179.2	0	111.8	D518 I519 S524 E525 S526	D518-K522 VanDerWaalsContact O-CD 3.31Å; D518-K522 WeakPolarHBondContact O-CD 3.42Å; D518-K522 VanDerWaalsContact O-CG 3.27Å; D518-K522 WeakPolarHBondContact O-CG 3.08Å; I519-K522 PolarHBondContact O-N 3.28Å; I519-K522 VanDerWaalsContact O-N 3.14Å; K522-S524 VanDerWaalsContact C-N 3.27Å; K522-S524 PolarHBondContact O-N 2.92Å; K522-E525 PolarHBondContact O-N 3.45Å; K522-S526 PolarHBondContact O-N 2.89Å; K522-S526 PolarHBondContact O-OG 2.92Å
523	L	80.4	Confident	77.8	Confident	14 Å²	14	69.5 Å²	69.5	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-59.8	-38.1	175.6	-69.1	170.1	0	0	0	112.1	L435 I519 I520 E525 S526 Y541	L435-L523 HydrophobicContact CD1-CD1 3.69Å; L435-L523 HydrophobicContact CD1-CD2 3.88Å; L435-L523 HydrophobicContact CD1-CG 4.44Å; L435-L523 HydrophobicContact CD2-CD1 3.97Å; L435-L523 HydrophobicContact CD2-CD2 4.24Å; L435-L523 HydrophobicContact CG-CD1 4.44Å; I519-L523 HydrophobicContact CG2-CD1 4.05Å; I519-L523 HydrophobicContact CG2-CG 4.32Å; I519-L523 WeakPolarHBondContact O-CG 3.32Å; I519-L523 PolarHBondContact O-N 3.3Å; I520-L523 PolarHBondContact O-N 2.95Å; L523-E525 PolarHBondContact O-N 3.29Å; L523-S526 WeakPolarHBondContact CA-OG 3.33Å; L523-S526 PolarHBondContact O-OG 3.45Å; L523-Y541 WeakPolarHBondContact O-CE2 3.48Å
524	S	78.7	Confident	77.6	Confident	32 Å²	32	67.6 Å²	67.6	22%	0.224	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.2	176.9	80.4	0	0	0	0	114.7	I520 L521 K522 S544 R547	I520-S524 PolarHBondContact O-N 2.77Å; L521-S524 PolarHBondContact O-N 3.02Å; L521-S524 PolarHBondContact O-OG 2.67Å; K522-S524 VanDerWaalsContact C-N 3.27Å; K522-S524 PolarHBondContact O-N 2.92Å; S524-S544 WeakPolarHBondContact CB-O 3.47Å; S524-R547 WeakPolarHBondContact OG-CG 3.32Å; S524-R547 PolarHBondContact OG-NH1 2.95Å
525	E	74.1	Confident	77.5	Confident	125 Å²	125	70.3 Å²	70.3	58%	0.584	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-26.8	-177.8	-71.3	170.9	179.9	0	0	112.1	L521 K522 L523 Q527 R547	L521-E525 WeakPolarHBondContact O-CG 3.4Å; L521-E525 PolarHBondContact O-N 3.47Å; K522-E525 PolarHBondContact O-N 3.45Å; L523-E525 PolarHBondContact O-N 3.29Å; E525-Q527 PolarHBondContact O-N 3.38Å; E525-R547 VanDerWaalsContact CG-NH1 3.31Å; E525-R547 IonicContact OE1-CZ 3.8Å; E525-R547 IonicContact OE1-NH1 2.78Å; E525-R547 PolarHBondContact OE1-NH1 2.85Å; E525-R547 IonicContact OE1-NH2 3.4Å; E525-R547 PolarHBondContact OE1-NH2 3.31Å
526	S	68.3	Low	77.5	Confident	44 Å²	44	69.9 Å²	69.9	31%	0.308	37%	0.365	S	S	.	.	S	Bend	trans	-75.3	118.8	170.7	57.9	0	0	0	0	111.4	K522 L523 L528 Y541	K522-S526 PolarHBondContact O-N 2.89Å; K522-S526 PolarHBondContact O-OG 2.92Å; L523-S526 WeakPolarHBondContact CA-OG 3.33Å; L523-S526 PolarHBondContact O-OG 3.45Å; S526-L528 PolarHBondContact O-N 3.26Å; S526-Y541 WeakPolarHBondContact O-CE2 3.31Å; S526-Y541 PolarHBondContact O-OH 3.38Å
527	Q	67	Low	77.4	Confident	194 Å²	194	66.2 Å²	66.2	91%	0.907	34%	0.34	S	S	*	.			trans	-73.5	104.5	164.6	-65	-177.1	9.8	0	0	108.8	E525	E525-Q527 PolarHBondContact O-N 3.38Å
528	L	67.8	Low	77.5	Confident	63 Å²	63	65.4 Å²	65.4	33%	0.33	34%	0.335	S	S	.	.			trans	-110.9	143.2	-177.9	-134.6	79.6	0	0	0	112.4	L433 S526 T530 L533 Y541	L433-L528 HydrophobicContact CD1-CD2 3.55Å; L433-L528 HydrophobicContact CD2-CD2 3.94Å; L433-L528 HydrophobicContact CG-CD2 4.33Å; S526-L528 PolarHBondContact O-N 3.26Å; L528-T530 PolarHBondContact O-N 3.07Å; L528-L533 HydrophobicContact CD2-CD1 4.35Å; L528-L533 HydrophobicContact CD2-CD2 4.37Å; L528-Y541 HydrophobicContact CB-CD2 4.39Å; L528-Y541 HydrophobicContact CB-CE2 3.75Å; L528-Y541 PolarHBondContact N-OH 3.1Å
529	E	64.3	Low	77.8	Confident	142 Å²	142	60.1 Å²	60.1	66%	0.664	31%	0.307	S	S	*	.			trans	-70.8	99	173.3	-70.1	-170.2	169.7	0	0	111	S531 N532	E529-S531 PolarHBondContact O-N 3.38Å; E529-S531 VanDerWaalsContact O-N 3.15Å; E529-N532 PolarHBondContact OE2-ND2 2.84Å
530	T	69.6	Low	77.9	Confident	45 Å²	45	57.2 Å²	57.2	28%	0.276	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-5.5	-178.4	59.5	0	0	0	0	114.6	L528 Y541	L528-T530 PolarHBondContact O-N 3.07Å; T530-Y541 HydrophobicContact CG2-CD1 3.39Å; T530-Y541 HydrophobicContact CG2-CE1 3.3Å; T530-Y541 HydrophobicContact CG2-CG 4.41Å
531	S	67.6	Low	78	Confident	88 Å²	88	58.8 Å²	58.8	62%	0.615	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-30	178.4	47.1	0	0	0	0	113.6	E529	E529-S531 PolarHBondContact O-N 3.38Å; E529-S531 VanDerWaalsContact O-N 3.15Å
532	N	72	Confident	78.1	Confident	53 Å²	53	58.6 Å²	58.6	28%	0.283	30%	0.297	S	S	.	.	S	Bend	trans	-102.4	-0.2	-172	-66.6	-52.7	0	0	0	113.9	T430 Q431 E529	T430-N532 CarbonylContact C-O 3.46Å; T430-N532 WeakPolarHBondContact CA-O 3.43Å; T430-N532 WeakPolarHBondContact CB-O 3.37Å; Q431-N532 HydrophobicContact CG-CB 4.31Å; Q431-N532 PolarHBondContact N-O 2.87Å; E529-N532 PolarHBondContact OE2-ND2 2.84Å
533	L	78.3	Confident	78.4	Confident	14 Å²	14	51.7 Å²	51.7	7%	0.073	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-88.8	149.7	-175.7	-60.6	-179.8	0	0	0	112.6	L433 L528 E537 K538	L433-L533 HydrophobicContact CD1-CD1 4.11Å; L433-L533 HydrophobicContact CD1-CD2 3.64Å; L433-L533 HydrophobicContact CD2-CD2 4.4Å; L433-L533 HydrophobicContact CG-CD2 3.75Å; L528-L533 HydrophobicContact CD2-CD1 4.35Å; L528-L533 HydrophobicContact CD2-CD2 4.37Å; L533-E537 HydrophobicContact CB-CB 4.46Å; L533-K538 HydrophobicContact CB-CB 4.28Å
534	I	83.5	Confident	78.6	Confident	52 Å²	52	51.1 Å²	51.1	27%	0.267	26%	0.264	S	S	.	.			trans	-59.7	144.3	165.1	-62.6	-177.2	0	0	0	109.2	T432 A536 E537 K538	T432-I534 HydrophobicContact CG2-CD1 3.58Å; T432-I534 HydrophobicContact CG2-CG1 4.28Å; I534-A536 HydrophobicContact CG2-CB 4.42Å; I534-A536 PolarHBondContact O-N 3.41Å; I534-A536 VanDerWaalsContact O-N 3.09Å; I534-E537 CarbonylContact O-C 3.59Å; I534-E537 WeakPolarHBondContact O-CA 3.24Å; I534-E537 PolarHBondContact O-N 2.93Å; I534-K538 PolarHBondContact O-N 2.71Å
535	E	84.6	Confident	78.9	Confident	107 Å²	107	53.6 Å²	53.6	50%	0.5	27%	0.272	S	S	.	.	H	α-helix	trans	-55.8	-35	-172.9	-61.2	82.1	175.5	0	0	113	M448 P455 L539	M448-E535 HydrophobicContact CE-CB 3.64Å; P455-E535 HydrophobicContact CG-CB 4.4Å; E535-L539 WeakPolarHBondContact O-CB 3.36Å; E535-L539 PolarHBondContact O-N 3.15Å
536	A	85.2	Confident	79.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-39.4	175	0	0	0	0	0	112.8	L436 A441 I444 I534 L540	L436-A536 HydrophobicContact CD1-CB 4.3Å; A441-A536 HydrophobicContact CB-CB 4.14Å; I444-A536 HydrophobicContact CB-CB 3.98Å; I444-A536 HydrophobicContact CG2-CB 3.51Å; I534-A536 HydrophobicContact CG2-CB 4.42Å; I534-A536 PolarHBondContact O-N 3.41Å; I534-A536 VanDerWaalsContact O-N 3.09Å; A536-L540 WeakPolarHBondContact O-CB 3.44Å; A536-L540 PolarHBondContact O-N 2.87Å
537	E	84.7	Confident	80	Confident	8 Å²	8	50.1 Å²	50.1	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-78.8	-34	176.7	-63.1	-164.9	129.4	0	0	111.5	T432 L433 D434 L435 L533 I534 L540 Y541	T432-E537 WeakPolarHBondContact CA-OE2 3.5Å; L433-E537 PolarHBondContact N-OE1 3.32Å; L433-E537 PolarHBondContact N-OE2 3.37Å; D434-E537 PolarHBondContact N-OE1 3.07Å; L435-E537 PolarHBondContact N-OE1 2.88Å; L533-E537 HydrophobicContact CB-CB 4.46Å; I534-E537 CarbonylContact O-C 3.59Å; I534-E537 WeakPolarHBondContact O-CA 3.24Å; I534-E537 PolarHBondContact O-N 2.93Å; E537-L540 PolarHBondContact O-N 3.08Å; E537-Y541 WeakPolarHBondContact O-CB 3.46Å; E537-Y541 PolarHBondContact O-N 3.4Å
538	K	87.6	Confident	80.8	Confident	39 Å²	39	46.6 Å²	46.6	17%	0.17	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-48.5	169.4	-173.5	176	176.6	-177.6	0	110.9	P455 E456 L533 I534 Y541 M542	P455-K538 HydrophobicContact CG-CD 4Å; P455-K538 HydrophobicContact CG-CG 4.34Å; E456-K538 VanDerWaalsContact OE1-CE 3.31Å; E456-K538 WeakPolarHBondContact OE1-CE 3.24Å; E456-K538 IonicContact OE1-NZ 3.19Å; E456-K538 PolarHBondContact OE1-NZ 3.37Å; L533-K538 HydrophobicContact CB-CB 4.28Å; I534-K538 PolarHBondContact O-N 2.71Å; K538-Y541 PolarHBondContact O-N 3.12Å; K538-M542 HydrophobicContact CG-CE 3.95Å; K538-M542 WeakPolarHBondContact O-CE 3.42Å; K538-M542 WeakPolarHBondContact O-CG 3.45Å; K538-M542 PolarHBondContact O-N 3.48Å; K538-M542 VanDerWaalsContact O-N 3.09Å
539	L	88.7	Confident	81.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.9	-51.1	173.9	173.5	59	0	0	0	111.1	I444 M448 P455 V458 A459 I462 L506 L510 E535 Y541 M542 I543	I444-L539 HydrophobicContact CG2-CD2 4.28Å; M448-L539 HydrophobicContact SD-CB 4.5Å; M448-L539 HydrophobicContact SD-CD2 3.75Å; P455-L539 HydrophobicContact CB-CB 3.85Å; P455-L539 WeakPolarHBondContact O-CD1 3.06Å; V458-L539 HydrophobicContact CB-CD1 4.02Å; V458-L539 HydrophobicContact CG1-CD1 3.77Å; V458-L539 HydrophobicContact CG1-CD2 4.02Å; A459-L539 HydrophobicContact CB-CD1 3.97Å; I462-L539 HydrophobicContact CD1-CD1 4.43Å; L506-L539 HydrophobicContact CD1-CD2 4.38Å; L510-L539 HydrophobicContact CD1-CD2 4.15Å; L510-L539 HydrophobicContact CD2-CD2 4.46Å; E535-L539 WeakPolarHBondContact O-CB 3.36Å; E535-L539 PolarHBondContact O-N 3.15Å; L539-Y541 VanDerWaalsContact C-N 3.34Å; L539-Y541 PolarHBondContact O-N 2.97Å; L539-M542 PolarHBondContact O-N 3.28Å; L539-I543 HydrophobicContact CD1-CG2 3.99Å; L539-I543 WeakPolarHBondContact O-CG1 3.45Å; L539-I543 PolarHBondContact O-N 2.98Å
540	L	86.1	Confident	82.7	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-58.8	-42.5	-179.8	177.7	59.5	0	0	0	112.5	L435 L436 P515 A536 E537 I543 S544	L435-L540 HydrophobicContact CB-CD2 3.64Å; L435-L540 HydrophobicContact CD1-CD2 3.94Å; L435-L540 HydrophobicContact CG-CD2 4.43Å; L436-L540 HydrophobicContact CD1-CD2 3.96Å; L436-L540 HydrophobicContact CD2-CD2 4.36Å; L436-L540 HydrophobicContact CG-CD2 3.84Å; P515-L540 HydrophobicContact CG-CD1 4.07Å; P515-L540 HydrophobicContact CG-CD2 3.76Å; P515-L540 HydrophobicContact CG-CG 4.48Å; A536-L540 WeakPolarHBondContact O-CB 3.44Å; A536-L540 PolarHBondContact O-N 2.87Å; E537-L540 PolarHBondContact O-N 3.08Å; L540-I543 WeakPolarHBondContact O-CG1 3.48Å; L540-S544 WeakPolarHBondContact O-CB 3.37Å; L540-S544 PolarHBondContact O-N 3.35Å
541	Y	85.7	Confident	83.7	Confident	33 Å²	33	40.3 Å²	40.3	13%	0.129	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-45.6	175.3	173.7	-98.1	0	0	0	111.6	L523 S526 L528 T530 E537 K538 L539 S544	L523-Y541 WeakPolarHBondContact O-CE2 3.48Å; S526-Y541 WeakPolarHBondContact O-CE2 3.31Å; S526-Y541 PolarHBondContact O-OH 3.38Å; L528-Y541 HydrophobicContact CB-CD2 4.39Å; L528-Y541 HydrophobicContact CB-CE2 3.75Å; L528-Y541 PolarHBondContact N-OH 3.1Å; T530-Y541 HydrophobicContact CG2-CD1 3.39Å; T530-Y541 HydrophobicContact CG2-CE1 3.3Å; T530-Y541 HydrophobicContact CG2-CG 4.41Å; E537-Y541 WeakPolarHBondContact O-CB 3.46Å; E537-Y541 PolarHBondContact O-N 3.4Å; K538-Y541 PolarHBondContact O-N 3.12Å; L539-Y541 VanDerWaalsContact C-N 3.34Å; L539-Y541 PolarHBondContact O-N 2.97Å; Y541-S544 WeakPolarHBondContact O-CB 3.32Å; Y541-S544 PolarHBondContact O-N 3.01Å; Y541-S544 PolarHBondContact O-OG 2.76Å
542	M	85.3	Confident	84.7	Confident	27 Å²	27	36.6 Å²	36.6	13%	0.133	17%	0.171	C	C	.	.	H	α-helix	trans	-66.8	-41.5	179.8	-67.8	-178.8	-60.5	0	0	112.6	P455 E456 A459 K538 L539 S544 Q545	P455-M542 HydrophobicContact CB-CE 3.85Å; P455-M542 HydrophobicContact CG-CE 4.4Å; P455-M542 VanDerWaalsContact O-CE 3.27Å; P455-M542 WeakPolarHBondContact O-CE 3.36Å; E456-M542 HydrophobicContact CB-CE 4.34Å; E456-M542 HydrophobicContact CB-SD 4.34Å; E456-M542 HydrophobicContact CG-CE 3.84Å; E456-M542 HydrophobicContact CG-SD 3.56Å; E456-M542 VanDerWaalsContact CG-SD 3.56Å; A459-M542 HydrophobicContact CB-CB 3.7Å; A459-M542 HydrophobicContact CB-CE 4.06Å; K538-M542 HydrophobicContact CG-CE 3.95Å; K538-M542 WeakPolarHBondContact O-CE 3.42Å; K538-M542 WeakPolarHBondContact O-CG 3.45Å; K538-M542 PolarHBondContact O-N 3.48Å; K538-M542 VanDerWaalsContact O-N 3.09Å; L539-M542 PolarHBondContact O-N 3.28Å; M542-S544 VanDerWaalsContact C-N 3.26Å; M542-S544 PolarHBondContact O-N 3.46Å; M542-Q545 WeakPolarHBondContact O-CB 3.45Å; M542-Q545 WeakPolarHBondContact O-CG 3.02Å; M542-Q545 PolarHBondContact O-N 3.23Å
543	I	87.2	Confident	85.6	Confident	1 Å²	1	34 Å²	34	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-74.5	-15.4	175.7	69.9	-172.1	0	0	0	113	A459 I462 L510 L539 L540 Q545 L546 L550	A459-I543 HydrophobicContact CB-CG2 3.86Å; I462-I543 HydrophobicContact CB-CG2 4.29Å; I462-I543 HydrophobicContact CD1-CG2 4.04Å; I462-I543 HydrophobicContact CG2-CG2 4.15Å; L510-I543 HydrophobicContact CD2-CD1 4.22Å; L539-I543 HydrophobicContact CD1-CG2 3.99Å; L539-I543 WeakPolarHBondContact O-CG1 3.45Å; L539-I543 PolarHBondContact O-N 2.98Å; L540-I543 WeakPolarHBondContact O-CG1 3.48Å; I543-Q545 PolarHBondContact O-N 3.46Å; I543-L546 WeakPolarHBondContact O-CB 3.39Å; I543-L546 PolarHBondContact O-N 2.95Å; I543-L550 HydrophobicContact CB-CD1 3.8Å; I543-L550 HydrophobicContact CD1-CD1 3.96Å; I543-L550 HydrophobicContact CD1-CD2 4.4Å; I543-L550 HydrophobicContact CG1-CD1 3.8Å; I543-L550 HydrophobicContact CG1-CD2 4.01Å
544	S	85	Confident	86.3	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-63	-21.7	174.7	82.3	0	0	0	0	113.4	S524 L540 Y541 M542 L546 R547	S524-S544 WeakPolarHBondContact CB-O 3.47Å; L540-S544 WeakPolarHBondContact O-CB 3.37Å; L540-S544 PolarHBondContact O-N 3.35Å; Y541-S544 WeakPolarHBondContact O-CB 3.32Å; Y541-S544 PolarHBondContact O-N 3.01Å; Y541-S544 PolarHBondContact O-OG 2.76Å; M542-S544 VanDerWaalsContact C-N 3.26Å; M542-S544 PolarHBondContact O-N 3.46Å; S544-L546 PolarHBondContact O-N 3Å; S544-L546 VanDerWaalsContact O-N 3.15Å; S544-R547 WeakPolarHBondContact O-CA 3.37Å; S544-R547 PolarHBondContact O-N 2.69Å
545	Q	84.3	Confident	86.7	Confident	84 Å²	84	31.3 Å²	31.3	39%	0.393	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.6	175	-62.7	178.2	3.5	0	0	113	M542 I543 R547	M542-Q545 WeakPolarHBondContact O-CB 3.45Å; M542-Q545 WeakPolarHBondContact O-CG 3.02Å; M542-Q545 PolarHBondContact O-N 3.23Å; I543-Q545 PolarHBondContact O-N 3.46Å; Q545-R547 PolarHBondContact O-N 3.01Å
546	L	81.4	Confident	87	Confident	10 Å²	10	26.2 Å²	26.2	5%	0.052	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.4	171.8	-64.8	174.7	0	0	0	113	I462 I463 I543 S544 H548 R549 L550 H553 A745	I462-L546 HydrophobicContact CG2-CD1 4.29Å; I463-L546 HydrophobicContact CG1-CD1 4.17Å; I463-L546 HydrophobicContact CG1-CD2 4.1Å; I463-L546 HydrophobicContact CG1-CG 4.13Å; I543-L546 WeakPolarHBondContact O-CB 3.39Å; I543-L546 PolarHBondContact O-N 2.95Å; S544-L546 PolarHBondContact O-N 3Å; S544-L546 VanDerWaalsContact O-N 3.15Å; L546-H548 PolarHBondContact O-N 2.89Å; L546-R549 HydrophobicContact CB-CB 4.36Å; L546-R549 WeakPolarHBondContact O-CA 3.34Å; L546-R549 VanDerWaalsContact O-CB 3.27Å; L546-R549 WeakPolarHBondContact O-CB 3.48Å; L546-R549 PolarHBondContact O-N 3.35Å; L546-L550 HydrophobicContact CB-CB 4.08Å; L546-L550 HydrophobicContact CD1-CD1 4Å; L546-H553 HydrophobicContact CD1-CB 3.87Å; L546-A745 HydrophobicContact CD2-CB 3.38Å
547	R	84.8	Confident	87.4	Confident	86 Å²	86	26.2 Å²	26.2	33%	0.325	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	48.6	-123.2	179	-64.4	174.4	70.1	111.4	-3	110.4	L521 S524 E525 S544 Q545 R549 L550	L521-R547 HydrophobicContact CD2-CB 3.93Å; L521-R547 HydrophobicContact CD2-CG 4.19Å; S524-R547 WeakPolarHBondContact OG-CG 3.32Å; S524-R547 PolarHBondContact OG-NH1 2.95Å; E525-R547 VanDerWaalsContact CG-NH1 3.31Å; E525-R547 IonicContact OE1-CZ 3.8Å; E525-R547 IonicContact OE1-NH1 2.78Å; E525-R547 PolarHBondContact OE1-NH1 2.85Å; E525-R547 IonicContact OE1-NH2 3.4Å; E525-R547 PolarHBondContact OE1-NH2 3.31Å; S544-R547 WeakPolarHBondContact O-CA 3.37Å; S544-R547 PolarHBondContact O-N 2.69Å; Q545-R547 PolarHBondContact O-N 3.01Å; R547-R549 PolarHBondContact O-N 3.49Å; R547-L550 PolarHBondContact O-N 3.3Å
548	H	83.2	Confident	87.7	Confident	120 Å²	120	28 Å²	28	56%	0.556	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-61.3	-14.2	178.7	-50.6	-61.5	0	0	0	114.8	L546	L546-H548 PolarHBondContact O-N 2.89Å
549	R	83.7	Confident	87.9	Confident	82 Å²	82	26.8 Å²	26.8	31%	0.309	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-88.8	-11.5	-179.5	-54.2	-59.3	-173.7	-174.4	-0.1	114.1	L546 R547 A552 H553 G718	L546-R549 HydrophobicContact CB-CB 4.36Å; L546-R549 WeakPolarHBondContact O-CA 3.34Å; L546-R549 VanDerWaalsContact O-CB 3.27Å; L546-R549 WeakPolarHBondContact O-CB 3.48Å; L546-R549 PolarHBondContact O-N 3.35Å; R547-R549 PolarHBondContact O-N 3.49Å; R549-A552 WeakPolarHBondContact O-CB 3.42Å; R549-A552 PolarHBondContact O-N 3.4Å; R549-A552 VanDerWaalsContact O-N 3.08Å; R549-H553 PolarHBondContact O-N 3.4Å; R549-H553 PolarHBondContact O-ND1 3.43Å; R549-G718 VanDerWaalsContact CZ-O 3.23Å; R549-G718 PolarHBondContact NH1-O 3.29Å; R549-G718 PolarHBondContact NH2-O 2.87Å
550	L	88.6	Confident	88.1	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-55.6	-47.9	-176.5	178.1	59.8	0	0	0	113.1	I520 I543 L546 R547 A552 H553 L554	I520-L550 HydrophobicContact CD1-CD2 4.22Å; I520-L550 HydrophobicContact CG2-CD2 4.43Å; I543-L550 HydrophobicContact CB-CD1 3.8Å; I543-L550 HydrophobicContact CD1-CD1 3.96Å; I543-L550 HydrophobicContact CD1-CD2 4.4Å; I543-L550 HydrophobicContact CG1-CD1 3.8Å; I543-L550 HydrophobicContact CG1-CD2 4.01Å; L546-L550 HydrophobicContact CB-CB 4.08Å; L546-L550 HydrophobicContact CD1-CD1 4Å; R547-L550 PolarHBondContact O-N 3.3Å; L550-A552 PolarHBondContact O-N 3.26Å; L550-H553 PolarHBondContact O-N 2.82Å; L550-L554 HydrophobicContact CD1-CD1 3.86Å; L550-L554 HydrophobicContact CD1-CD2 4.42Å; L550-L554 HydrophobicContact CD1-CG 3.92Å; L550-L554 HydrophobicContact CG-CD1 4.06Å; L550-L554 WeakPolarHBondContact O-CG 3.33Å; L550-L554 PolarHBondContact O-N 3.3Å
551	P	89.6	Confident	88.3	Confident	35 Å²	35	30.2 Å²	30.2	23%	0.227	14%	0.138	C	C	.	.	H	α-helix	trans	-67.7	-21.2	179.4	-19.6	33.7	0	0	0	114	I514 M517 H555 R711	I514-P551 HydrophobicContact CD1-CB 4.07Å; I514-P551 HydrophobicContact CD1-CG 4.27Å; M517-P551 HydrophobicContact CE-CG 3.75Å; P551-H555 VanDerWaalsContact O-CB 3.31Å; P551-H555 WeakPolarHBondContact O-CB 3.18Å; P551-H555 PolarHBondContact O-N 3.46Å; P551-R711 PolarHBondContact O-NH2 3.5Å
552	A	90.2	Very high	88.6	Confident	10 Å²	10	31.1 Å²	31.1	8%	0.083	14%	0.143	C	C	.	.	H	α-helix	trans	-80.6	-41.4	174.3	0	0	0	0	0	111.3	R549 L550 H555 A556 D715 F749	R549-A552 WeakPolarHBondContact O-CB 3.42Å; R549-A552 PolarHBondContact O-N 3.4Å; R549-A552 VanDerWaalsContact O-N 3.08Å; L550-A552 PolarHBondContact O-N 3.26Å; A552-H555 PolarHBondContact O-N 3.41Å; A552-A556 VanDerWaalsContact O-CB 3.29Å; A552-A556 WeakPolarHBondContact O-CB 3.5Å; A552-A556 PolarHBondContact O-N 3.48Å; A552-D715 HydrophobicContact CB-CB 3.99Å; A552-F749 HydrophobicContact CB-CE2 4.16Å; A552-F749 HydrophobicContact CB-CZ 4.29Å
553	H	90.3	Very high	89	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-44.3	176.8	-76.9	62.9	0	0	0	111.9	L465 L546 R549 L550 H555 A556 L557 F749	L465-H553 HydrophobicContact CD2-CB 4.16Å; L465-H553 WeakPolarHBondContact CD2-O 3.46Å; L546-H553 HydrophobicContact CD1-CB 3.87Å; R549-H553 PolarHBondContact O-N 3.4Å; R549-H553 PolarHBondContact O-ND1 3.43Å; L550-H553 PolarHBondContact O-N 2.82Å; H553-H555 VanDerWaalsContact C-N 3.32Å; H553-H555 PolarHBondContact O-N 2.98Å; H553-A556 PolarHBondContact O-N 3.11Å; H553-L557 VanDerWaalsContact O-CB 3.3Å; H553-L557 WeakPolarHBondContact O-CB 3.43Å; H553-L557 PolarHBondContact O-N 3.07Å; H553-F749 AromaticContact CE1-CD2 3.48Å; H553-F749 VanDerWaalsContact CE1-CD2 3.48Å; H553-F749 WeakPolarHBondContact CE1-CD2 3.24Å; H553-F749 AromaticContact CG-CD2 3.97Å; H553-F749 AromaticContact ND1-CD2 3.64Å; H553-F749 AromaticContact NE2-CD2 3.73Å
554	L	91.8	Very high	89.3	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-64.1	-38.3	177	-63.9	172.7	0	0	0	111.8	I462 L507 L510 I511 I514 L550 R558	I462-L554 HydrophobicContact CD1-CD2 4.22Å; I462-L554 HydrophobicContact CG2-CD2 4.02Å; L507-L554 HydrophobicContact CD1-CB 4.17Å; L507-L554 HydrophobicContact CD1-CD2 3.74Å; L510-L554 HydrophobicContact CB-CD1 4.36Å; L510-L554 HydrophobicContact CB-CD2 4.48Å; L510-L554 HydrophobicContact CD1-CD2 4.5Å; I511-L554 HydrophobicContact CD1-CB 4.25Å; I511-L554 HydrophobicContact CG1-CB 3.73Å; I511-L554 HydrophobicContact CG1-CD1 4.48Å; I514-L554 HydrophobicContact CD1-CD1 3.82Å; I514-L554 HydrophobicContact CG1-CD1 4.12Å; L550-L554 HydrophobicContact CD1-CD1 3.86Å; L550-L554 HydrophobicContact CD1-CD2 4.42Å; L550-L554 HydrophobicContact CD1-CG 3.92Å; L550-L554 HydrophobicContact CG-CD1 4.06Å; L550-L554 WeakPolarHBondContact O-CG 3.33Å; L550-L554 PolarHBondContact O-N 3.3Å; L554-R558 PolarHBondContact O-N 3.41Å
555	H	92.2	Very high	89.7	Confident	5 Å²	5	37.5 Å²	37.5	2%	0.023	18%	0.181	C	C	.	.	H	α-helix	trans	-68.2	-44.5	175.7	-178.7	-107.9	0	0	0	112.7	P551 A552 H553 R558 M559 D708 R711	P551-H555 VanDerWaalsContact O-CB 3.31Å; P551-H555 WeakPolarHBondContact O-CB 3.18Å; P551-H555 PolarHBondContact O-N 3.46Å; A552-H555 PolarHBondContact O-N 3.41Å; H553-H555 VanDerWaalsContact C-N 3.32Å; H553-H555 PolarHBondContact O-N 2.98Å; H555-R558 PolarHBondContact O-N 2.82Å; H555-M559 WeakPolarHBondContact O-CG 3.18Å; H555-M559 PolarHBondContact O-N 3.16Å; H555-D708 IonicContact CD2-OD1 3.1Å; H555-D708 IonicContact CD2-OD2 3.36Å; H555-D708 IonicContact CE1-OD1 2.65Å; H555-D708 IonicContact NE2-OD1 3.1Å; H555-D708 PolarHBondContact NE2-OD1 3.01Å; H555-D708 IonicContact NE2-OD2 3.75Å; H555-D708 PolarHBondContact NE2-OD2 3.13Å; H555-R711 PolarHBondContact CD2-NH1 2.9Å; H555-R711 VanDerWaalsContact CG-CZ 3.42Å
556	A	92.4	Very high	90.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-45	174	0	0	0	0	0	112	L465 A552 H553 R558 M559 L560 L712 F749 V753	L465-A556 HydrophobicContact CD1-CB 4.09Å; L465-A556 HydrophobicContact CD2-CB 4.21Å; A552-A556 VanDerWaalsContact O-CB 3.29Å; A552-A556 WeakPolarHBondContact O-CB 3.5Å; A552-A556 PolarHBondContact O-N 3.48Å; H553-A556 PolarHBondContact O-N 3.11Å; A556-R558 VanDerWaalsContact C-N 3.34Å; A556-R558 PolarHBondContact O-N 2.79Å; A556-M559 PolarHBondContact O-N 3.35Å; A556-L560 WeakPolarHBondContact O-CB 3.4Å; A556-L560 WeakPolarHBondContact O-CD1 3.43Å; A556-L560 VanDerWaalsContact O-CG 3.25Å; A556-L560 WeakPolarHBondContact O-CG 3.49Å; A556-L560 PolarHBondContact O-N 3.31Å; A556-L712 HydrophobicContact CB-CD2 3.87Å; A556-F749 HydrophobicContact CB-CD2 4.48Å; A556-F749 HydrophobicContact CB-CE2 3.69Å; A556-F749 HydrophobicContact CB-CZ 4.14Å; A556-V753 HydrophobicContact CB-CG2 3.81Å
557	L	91.7	Very high	90.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-40.2	176.4	-175.9	62.9	0	0	0	112	I462 L465 I502 L507 H553 M559 L560 I561	I462-L557 HydrophobicContact CG1-CD2 3.79Å; L465-L557 HydrophobicContact CD2-CB 4.29Å; I502-L557 HydrophobicContact CD1-CD1 4.34Å; I502-L557 HydrophobicContact CD1-CD2 3.82Å; L507-L557 HydrophobicContact CD1-CD2 4.14Å; L507-L557 HydrophobicContact CD2-CB 4.23Å; L507-L557 HydrophobicContact CD2-CD2 4.11Å; L507-L557 HydrophobicContact CD2-CG 3.86Å; H553-L557 VanDerWaalsContact O-CB 3.3Å; H553-L557 WeakPolarHBondContact O-CB 3.43Å; H553-L557 PolarHBondContact O-N 3.07Å; L557-M559 VanDerWaalsContact C-N 3.34Å; L557-M559 PolarHBondContact O-N 2.88Å; L557-L560 PolarHBondContact O-N 3.12Å; L557-I561 HydrophobicContact CD1-CD1 4.23Å; L557-I561 HydrophobicContact CG-CD1 4.15Å; L557-I561 WeakPolarHBondContact O-CG1 3.07Å; L557-I561 PolarHBondContact O-N 2.94Å; L557-I561 VanDerWaalsContact O-N 3.16Å
558	R	91.9	Very high	91.3	Very high	47 Å²	47	34.5 Å²	34.5	18%	0.177	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-43	176.6	-171	-174.7	70	176.1	7.7	111	L507 D508 I511 L554 H555 A556 I561 Q562 D708	L507-R558 HydrophobicContact CD2-CB 3.84Å; L507-R558 HydrophobicContact CD2-CG 4.42Å; L507-R558 HydrophobicContact CG-CB 4.29Å; D508-R558 IonicContact OD1-NH1 3.17Å; I511-R558 HydrophobicContact CD1-CB 3.99Å; I511-R558 HydrophobicContact CD1-CG 4.41Å; L554-R558 PolarHBondContact O-N 3.41Å; H555-R558 PolarHBondContact O-N 2.82Å; A556-R558 VanDerWaalsContact C-N 3.34Å; A556-R558 PolarHBondContact O-N 2.79Å; R558-I561 PolarHBondContact O-N 3.28Å; R558-Q562 HydrophobicContact CG-CG 4.25Å; R558-Q562 VanDerWaalsContact CG-OE1 3.29Å; R558-Q562 WeakPolarHBondContact O-CB 3.23Å; R558-Q562 PolarHBondContact O-N 2.84Å; R558-D708 IonicContact NH2-OD2 3.94Å; R558-D708 PolarHBondContact NH2-OD2 3.35Å
559	M	92.9	Very high	91.9	Very high	13 Å²	13	33 Å²	33	6%	0.064	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-42.8	175.2	-73.6	-68.2	-70.3	0	0	112.2	H555 A556 L557 I561 Q562 F563 D708 V709 L712 F756	H555-M559 WeakPolarHBondContact O-CG 3.18Å; H555-M559 PolarHBondContact O-N 3.16Å; A556-M559 PolarHBondContact O-N 3.35Å; L557-M559 VanDerWaalsContact C-N 3.34Å; L557-M559 PolarHBondContact O-N 2.88Å; M559-I561 PolarHBondContact O-N 2.74Å; M559-Q562 PolarHBondContact O-N 3.44Å; M559-F563 HydrophobicContact CE-CB 4.37Å; M559-F563 HydrophobicContact CE-CD2 3.6Å; M559-F563 HydrophobicContact CE-CE2 4.31Å; M559-F563 HydrophobicContact CE-CG 4.33Å; M559-F563 WeakPolarHBondContact O-CB 3Å; M559-F563 PolarHBondContact O-N 2.93Å; M559-D708 HydrophobicContact CE-CB 3.95Å; M559-D708 HydrophobicContact CG-CB 4.5Å; M559-D708 HydrophobicContact SD-CB 3.66Å; M559-V709 HydrophobicContact CE-CG2 3.87Å; M559-L712 HydrophobicContact CB-CD1 3.86Å; M559-L712 HydrophobicContact CE-CD1 4.14Å; M559-L712 HydrophobicContact CG-CD1 3.93Å; M559-L712 HydrophobicContact CG-CG 4.43Å; M559-F756 HydrophobicContact CB-CE1 4.04Å; M559-F756 HydrophobicContact CB-CZ 4.19Å; M559-F756 HydrophobicContact CE-CE1 4.41Å
560	L	92	Very high	92.5	Very high	32 Å²	32	29.1 Å²	29.1	17%	0.168	15%	0.154	C	C	.	.	H	α-helix	trans	-63.5	-20.6	176.5	-72	162.4	0	0	0	113.9	L465 T467 A556 L557 V752 F756	L465-L560 HydrophobicContact CB-CD1 4.04Å; L465-L560 HydrophobicContact CD1-CD1 4.27Å; T467-L560 HydrophobicContact CG2-CB 3.85Å; A556-L560 WeakPolarHBondContact O-CB 3.4Å; A556-L560 WeakPolarHBondContact O-CD1 3.43Å; A556-L560 VanDerWaalsContact O-CG 3.25Å; A556-L560 WeakPolarHBondContact O-CG 3.49Å; A556-L560 PolarHBondContact O-N 3.31Å; L557-L560 PolarHBondContact O-N 3.12Å; L560-V752 HydrophobicContact CD1-CG1 3.7Å; L560-V752 HydrophobicContact CD2-CG1 3.92Å; L560-V752 HydrophobicContact CG-CG1 4.5Å; L560-F756 HydrophobicContact CD2-CB 3.76Å; L560-F756 HydrophobicContact CD2-CD1 4.3Å; L560-F756 HydrophobicContact CD2-CD2 3.65Å; L560-F756 HydrophobicContact CD2-CE2 4.33Å; L560-F756 HydrophobicContact CD2-CG 3.63Å
561	I	90.2	Very high	92.9	Very high	44 Å²	44	31.2 Å²	31.2	23%	0.226	16%	0.163	C	C	.	.	H	α-helix	trans	-95.3	-44.1	176.8	-65	169.2	0	0	0	111.3	T467 I502 L507 L557 R558 M559	T467-I561 HydrophobicContact CG2-CG1 3.82Å; I502-I561 HydrophobicContact CB-CD1 4.24Å; L507-I561 HydrophobicContact CD2-CD1 3.95Å; L557-I561 HydrophobicContact CD1-CD1 4.23Å; L557-I561 HydrophobicContact CG-CD1 4.15Å; L557-I561 WeakPolarHBondContact O-CG1 3.07Å; L557-I561 PolarHBondContact O-N 2.94Å; L557-I561 VanDerWaalsContact O-N 3.16Å; R558-I561 PolarHBondContact O-N 3.28Å; M559-I561 PolarHBondContact O-N 2.74Å
562	Q	91.5	Very high	93.2	Very high	52 Å²	52	34.9 Å²	34.9	24%	0.243	18%	0.177	C	C	.	.	H	α-helix	trans	-101.8	-15.6	-165.1	-61.6	179.5	-6.2	0	0	114.8	D504 R558 M559 T566	D504-Q562 WeakPolarHBondContact OD1-CG 3.25Å; D504-Q562 PolarHBondContact OD1-NE2 2.89Å; R558-Q562 HydrophobicContact CG-CG 4.25Å; R558-Q562 VanDerWaalsContact CG-OE1 3.29Å; R558-Q562 WeakPolarHBondContact O-CB 3.23Å; R558-Q562 PolarHBondContact O-N 2.84Å; M559-Q562 PolarHBondContact O-N 3.44Å; Q562-T566 VanDerWaalsContact O-CB 3.31Å; Q562-T566 WeakPolarHBondContact O-CB 3.42Å; Q562-T566 PolarHBondContact O-N 3.16Å; Q562-T566 PolarHBondContact O-OG1 3.17Å
563	F	94	Very high	93.4	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.018	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-54.6	-170.8	176.5	-99.5	0	0	0	113	M559 T565 T566 V567 T705 V709 F756 A760 E763	M559-F563 HydrophobicContact CE-CB 4.37Å; M559-F563 HydrophobicContact CE-CD2 3.6Å; M559-F563 HydrophobicContact CE-CE2 4.31Å; M559-F563 HydrophobicContact CE-CG 4.33Å; M559-F563 WeakPolarHBondContact O-CB 3Å; M559-F563 PolarHBondContact O-N 2.93Å; F563-T565 VanDerWaalsContact C-N 3.34Å; F563-T565 PolarHBondContact O-N 3.03Å; F563-T566 CarbonylContact O-C 3.57Å; F563-T566 WeakPolarHBondContact O-CA 3.47Å; F563-T566 WeakPolarHBondContact O-CB 3.48Å; F563-T566 PolarHBondContact O-N 3.33Å; F563-V567 HydrophobicContact CD1-CG2 4.17Å; F563-V567 HydrophobicContact CD2-CG2 4.04Å; F563-V567 HydrophobicContact CE1-CG2 3.8Å; F563-V567 HydrophobicContact CE2-CG2 3.67Å; F563-V567 HydrophobicContact CG-CG2 4.28Å; F563-V567 HydrophobicContact CZ-CG2 3.53Å; F563-V567 WeakPolarHBondContact O-CG2 3.22Å; F563-V567 PolarHBondContact O-N 2.88Å; F563-T705 HydrophobicContact CD2-CG2 4.02Å; F563-T705 HydrophobicContact CE2-CG2 3.61Å; F563-V709 HydrophobicContact CD2-CG2 4.43Å; F563-V709 HydrophobicContact CE2-CG2 3.8Å; F563-F756 HydrophobicContact CB-CE2 4.04Å; F563-F756 HydrophobicContact CB-CZ 3.6Å; F563-F756 AromaticContact CD1-CE2 3.87Å; F563-F756 HydrophobicContact CD1-CE2 3.87Å; F563-F756 AromaticContact CD1-CZ 3.78Å; F563-F756 HydrophobicContact CD1-CZ 3.78Å; F563-F756 HydrophobicContact CD2-CZ 4.3Å; F563-F756 HydrophobicContact CG-CE2 4.13Å; F563-F756 AromaticContact CG-CZ 3.64Å; F563-F756 HydrophobicContact CG-CZ 3.64Å; F563-A760 HydrophobicContact CD1-CB 4.42Å; F563-A760 HydrophobicContact CE1-CB 3.76Å; F563-A760 HydrophobicContact CE2-CB 4.01Å; F563-A760 VanDerWaalsContact CZ-CA 3.47Å; F563-A760 HydrophobicContact CZ-CB 3.51Å; F563-E763 HydrophobicContact CE1-CB 4.06Å; F563-E763 HydrophobicContact CZ-CB 4.08Å
564	D	93.7	Very high	93.7	Very high	73 Å²	73	34.5 Å²	34.5	39%	0.39	17%	0.174	S	C	.	.	H	α-helix	trans	-61.2	-44.8	-175.4	-58.7	-33.3	0	0	0	111	T566 V567 D568 H759	D564-T566 VanDerWaalsContact C-N 3.29Å; D564-T566 PolarHBondContact O-N 3.28Å; D564-V567 PolarHBondContact O-N 2.88Å; D564-D568 WeakPolarHBondContact O-CB 3.26Å; D564-D568 PolarHBondContact O-N 3.24Å; D564-H759 IonicContact OD1-CE1 3.07Å; D564-H759 PolarHBondContact OD1-CE1 3.2Å; D564-H759 VanDerWaalsContact OD1-CE1 3.27Å; D564-H759 IonicContact OD1-ND1 2.99Å
565	T	93.9	Very high	93.9	Very high	86 Å²	86	36.4 Å²	36.4	53%	0.528	19%	0.188	S	C	.	.	H	α-helix	trans	-59	-38.1	173.8	-67	0	0	0	0	112.3	F563 Q569	F563-T565 VanDerWaalsContact C-N 3.34Å; F563-T565 PolarHBondContact O-N 3.03Å; T565-Q569 WeakPolarHBondContact O-CB 3.45Å; T565-Q569 WeakPolarHBondContact O-CG 3.33Å; T565-Q569 PolarHBondContact O-N 2.9Å; T565-Q569 VanDerWaalsContact O-N 3.16Å
566	T	94.1	Very high	94.1	Very high	33 Å²	33	37 Å²	37	20%	0.202	19%	0.193	C	C	.	.	H	α-helix	trans	-72.5	-41.7	178	-60.9	0	0	0	0	111.8	Q562 F563 D564 L570	Q562-T566 VanDerWaalsContact O-CB 3.31Å; Q562-T566 WeakPolarHBondContact O-CB 3.42Å; Q562-T566 PolarHBondContact O-N 3.16Å; Q562-T566 PolarHBondContact O-OG1 3.17Å; F563-T566 CarbonylContact O-C 3.57Å; F563-T566 WeakPolarHBondContact O-CA 3.47Å; F563-T566 WeakPolarHBondContact O-CB 3.48Å; F563-T566 PolarHBondContact O-N 3.33Å; D564-T566 VanDerWaalsContact C-N 3.29Å; D564-T566 PolarHBondContact O-N 3.28Å; T566-L570 HydrophobicContact CG2-CD1 4.24Å; T566-L570 VanDerWaalsContact O-CG 3.26Å; T566-L570 WeakPolarHBondContact O-CG 3.26Å; T566-L570 PolarHBondContact O-N 3.4Å; T566-L570 VanDerWaalsContact O-N 3.12Å
567	V	95.4	Very high	94.3	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-44.4	177.4	167.1	0	0	0	0	110.8	F563 D564 L570 K571 E763	F563-V567 HydrophobicContact CD1-CG2 4.17Å; F563-V567 HydrophobicContact CD2-CG2 4.04Å; F563-V567 HydrophobicContact CE1-CG2 3.8Å; F563-V567 HydrophobicContact CE2-CG2 3.67Å; F563-V567 HydrophobicContact CG-CG2 4.28Å; F563-V567 HydrophobicContact CZ-CG2 3.53Å; F563-V567 WeakPolarHBondContact O-CG2 3.22Å; F563-V567 PolarHBondContact O-N 2.88Å; D564-V567 PolarHBondContact O-N 2.88Å; V567-L570 CarbonylContact O-C 3.47Å; V567-L570 PolarHBondContact O-N 3.17Å; V567-L570 VanDerWaalsContact O-N 3.14Å; V567-K571 HydrophobicContact CG1-CD 4.15Å; V567-K571 HydrophobicContact CG1-CG 4.27Å; V567-K571 WeakPolarHBondContact O-CG 3.21Å; V567-K571 PolarHBondContact O-N 3.46Å; V567-E763 HydrophobicContact CG1-CB 4.36Å; V567-E763 WeakPolarHBondContact CG1-OE2 3.48Å
568	D	95.1	Very high	94.5	Very high	83 Å²	83	38 Å²	38	44%	0.444	20%	0.199	S	C	.	.	H	α-helix	trans	-69.1	-36	-179.9	-74.3	-11.7	0	0	0	112.5	D564 L570 K571 Q572	D564-D568 WeakPolarHBondContact O-CB 3.26Å; D564-D568 PolarHBondContact O-N 3.24Å; D568-L570 VanDerWaalsContact C-N 3.32Å; D568-L570 PolarHBondContact O-N 3.19Å; D568-K571 PolarHBondContact O-N 3.28Å; D568-K571 WeakPolarHBondContact OD1-CD 3.48Å; D568-K571 IonicContact OD1-NZ 3.57Å; D568-K571 PolarHBondContact OD1-NZ 3.16Å; D568-Q572 VanDerWaalsContact O-CB 3.25Å; D568-Q572 WeakPolarHBondContact O-CB 3.44Å; D568-Q572 PolarHBondContact O-N 3.12Å
569	Q	95.3	Very high	94.7	Very high	88 Å²	88	41.2 Å²	41.2	41%	0.411	21%	0.214	S	C	.	.	H	α-helix	trans	-57.5	-44	167.7	-76.5	172.1	21.2	0	0	112	T565 A573	T565-Q569 WeakPolarHBondContact O-CB 3.45Å; T565-Q569 WeakPolarHBondContact O-CG 3.33Å; T565-Q569 PolarHBondContact O-N 2.9Å; T565-Q569 VanDerWaalsContact O-N 3.16Å; Q569-A573 WeakPolarHBondContact O-CB 3.33Å; Q569-A573 PolarHBondContact O-N 3.32Å
570	L	96	Very high	94.9	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-69.5	-42.6	179.2	-67.8	169.7	0	0	0	112	T566 V567 D568 L574 I698 K701 L767	T566-L570 HydrophobicContact CG2-CD1 4.24Å; T566-L570 VanDerWaalsContact O-CG 3.26Å; T566-L570 WeakPolarHBondContact O-CG 3.26Å; T566-L570 PolarHBondContact O-N 3.4Å; T566-L570 VanDerWaalsContact O-N 3.12Å; V567-L570 CarbonylContact O-C 3.47Å; V567-L570 PolarHBondContact O-N 3.17Å; V567-L570 VanDerWaalsContact O-N 3.14Å; D568-L570 VanDerWaalsContact C-N 3.32Å; D568-L570 PolarHBondContact O-N 3.19Å; L570-L574 WeakPolarHBondContact O-CB 3.13Å; L570-L574 WeakPolarHBondContact O-CG 3.1Å; L570-L574 PolarHBondContact O-N 2.84Å; L570-I698 HydrophobicContact CD2-CD1 3.69Å; L570-I698 HydrophobicContact CD2-CG2 4.24Å; L570-K701 HydrophobicContact CD1-CB 4.21Å; L570-K701 HydrophobicContact CD2-CB 3.85Å; L570-K701 HydrophobicContact CD2-CD 4.15Å; L570-L767 HydrophobicContact CB-CD1 3.78Å; L570-L767 HydrophobicContact CB-CD2 4.24Å; L570-L767 HydrophobicContact CD1-CD2 3.92Å
571	K	96	Very high	95.1	Very high	45 Å²	45	39.1 Å²	39.1	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-57.6	-48.1	172.3	-73.9	173.7	-174.6	157.5	0	111	V567 D568 S575 E763 L770	V567-K571 HydrophobicContact CG1-CD 4.15Å; V567-K571 HydrophobicContact CG1-CG 4.27Å; V567-K571 WeakPolarHBondContact O-CG 3.21Å; V567-K571 PolarHBondContact O-N 3.46Å; D568-K571 PolarHBondContact O-N 3.28Å; D568-K571 WeakPolarHBondContact OD1-CD 3.48Å; D568-K571 IonicContact OD1-NZ 3.57Å; D568-K571 PolarHBondContact OD1-NZ 3.16Å; K571-S575 WeakPolarHBondContact O-CB 3.49Å; K571-S575 PolarHBondContact O-N 2.94Å; K571-E763 WeakPolarHBondContact CE-OE2 3.43Å; K571-E763 IonicContact NZ-OE1 3.16Å; K571-E763 PolarHBondContact NZ-OE1 3.38Å; K571-E763 IonicContact NZ-OE2 2.71Å; K571-E763 PolarHBondContact NZ-OE2 3.27Å; K571-L770 HydrophobicContact CB-CD2 4.32Å; K571-L770 HydrophobicContact CG-CD2 4.46Å
572	Q	95.9	Very high	95.3	Very high	111 Å²	111	38.8 Å²	38.8	52%	0.519	21%	0.205	S	C	.	.	H	α-helix	trans	-64.4	-47.8	-177.5	-167.2	-173	19.1	0	0	111.1	D568 L574 S575 S576 L692	D568-Q572 VanDerWaalsContact O-CB 3.25Å; D568-Q572 WeakPolarHBondContact O-CB 3.44Å; D568-Q572 PolarHBondContact O-N 3.12Å; Q572-L574 PolarHBondContact O-N 3.25Å; Q572-S575 PolarHBondContact O-N 2.81Å; Q572-S576 WeakPolarHBondContact O-CB 3.31Å; Q572-S576 PolarHBondContact O-N 2.98Å; Q572-S576 PolarHBondContact O-OG 3.17Å; Q572-L692 HydrophobicContact CG-CD1 3.86Å
573	A	96.2	Very high	95.5	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.017	20%	0.202	C	C	.	.	H	α-helix	trans	-59.6	-47.2	177.4	0	0	0	0	0	112.3	Q569 A577 L692 I698	Q569-A573 WeakPolarHBondContact O-CB 3.33Å; Q569-A573 PolarHBondContact O-N 3.32Å; A573-A577 VanDerWaalsContact O-CB 3.27Å; A573-A577 WeakPolarHBondContact O-CB 3.29Å; A573-A577 PolarHBondContact O-N 3.01Å; A573-L692 HydrophobicContact CB-CB 4Å; A573-L692 WeakPolarHBondContact CB-O 3.2Å; A573-I698 HydrophobicContact CB-CD1 3.61Å
574	L	96.5	Very high	95.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-67.1	-40.5	177.4	-71.5	168.3	0	0	0	112.3	L570 Q572 A577 C578 Y693 I698 L767 L770 H771 F774	L570-L574 WeakPolarHBondContact O-CB 3.13Å; L570-L574 WeakPolarHBondContact O-CG 3.1Å; L570-L574 PolarHBondContact O-N 2.84Å; Q572-L574 PolarHBondContact O-N 3.25Å; L574-A577 PolarHBondContact O-N 2.82Å; L574-C578 WeakPolarHBondContact O-CB 3.4Å; L574-C578 PolarHBondContact O-N 2.94Å; L574-C578 PolarHBondContact O-SG 3.27Å; L574-Y693 HydrophobicContact CD2-CD2 4.46Å; L574-Y693 HydrophobicContact CD2-CE2 4.02Å; L574-I698 HydrophobicContact CD2-CG2 4.15Å; L574-I698 HydrophobicContact CG-CG2 4.38Å; L574-L767 HydrophobicContact CD1-CD1 3.77Å; L574-L770 HydrophobicContact CB-CD2 3.84Å; L574-L770 HydrophobicContact CB-CG 3.85Å; L574-L770 HydrophobicContact CD1-CD2 4.38Å; L574-L770 HydrophobicContact CD1-CG 4.29Å; L574-H771 HydrophobicContact CD1-CB 4.08Å; L574-F774 HydrophobicContact CD2-CB 3.93Å; L574-F774 HydrophobicContact CD2-CD1 3.99Å; L574-F774 HydrophobicContact CD2-CD2 4.42Å; L574-F774 HydrophobicContact CD2-CG 3.82Å
575	S	96	Very high	95.5	Very high	43 Å²	43	37.9 Å²	37.9	30%	0.301	20%	0.196	S	C	.	.	H	α-helix	trans	-66.3	-45.3	179.4	-173.9	0	0	0	0	111.9	K571 Q572 C578 K579	K571-S575 WeakPolarHBondContact O-CB 3.49Å; K571-S575 PolarHBondContact O-N 2.94Å; Q572-S575 PolarHBondContact O-N 2.81Å; S575-C578 PolarHBondContact O-N 3.46Å; S575-K579 WeakPolarHBondContact O-CG 3.41Å; S575-K579 PolarHBondContact O-N 3.12Å
576	S	95.9	Very high	95.4	Very high	18 Å²	18	39.6 Å²	39.6	13%	0.126	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-38.9	173.8	-74	0	0	0	0	112.3	Q572 K579 C580	Q572-S576 WeakPolarHBondContact O-CB 3.31Å; Q572-S576 PolarHBondContact O-N 2.98Å; Q572-S576 PolarHBondContact O-OG 3.17Å; S576-K579 PolarHBondContact O-N 3.15Å; S576-C580 WeakPolarHBondContact O-CB 3.33Å; S576-C580 PolarHBondContact O-N 3.24Å
577	A	96.6	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-41.9	174.6	0	0	0	0	0	112.3	A573 L574 K579 C580 L581 Y693 F774 F798	A573-A577 VanDerWaalsContact O-CB 3.27Å; A573-A577 WeakPolarHBondContact O-CB 3.29Å; A573-A577 PolarHBondContact O-N 3.01Å; L574-A577 PolarHBondContact O-N 2.82Å; A577-K579 PolarHBondContact O-N 2.91Å; A577-C580 PolarHBondContact O-N 3.4Å; A577-L581 WeakPolarHBondContact O-CB 3.33Å; A577-L581 VanDerWaalsContact O-CG 3.23Å; A577-L581 WeakPolarHBondContact O-CG 3.46Å; A577-L581 PolarHBondContact O-N 2.76Å; A577-Y693 HydrophobicContact CB-CD2 3.87Å; A577-Y693 HydrophobicContact CB-CG 3.93Å; A577-F774 HydrophobicContact CB-CD2 3.9Å; A577-F774 HydrophobicContact CB-CE2 3.66Å; A577-F798 HydrophobicContact CB-CE2 3.9Å; A577-F798 HydrophobicContact CB-CZ 3.98Å
578	C	96.2	Very high	94.9	Very high	19 Å²	19	43.5 Å²	43.5	13%	0.128	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-44.9	172.7	-79.7	0	0	0	0	112.6	L574 S575 L581 S582 F774	L574-C578 WeakPolarHBondContact O-CB 3.4Å; L574-C578 PolarHBondContact O-N 2.94Å; L574-C578 PolarHBondContact O-SG 3.27Å; S575-C578 PolarHBondContact O-N 3.46Å; C578-L581 PolarHBondContact O-N 3.24Å; C578-S582 PolarHBondContact O-N 3.14Å; C578-F774 WeakPolarHBondContact SG-CA 3.49Å; C578-F774 VanDerWaalsContact SG-CB 3.6Å
579	K	96	Very high	94.7	Very high	115 Å²	115	39.9 Å²	39.9	50%	0.5	20%	0.198	S	C	.	.	H	α-helix	trans	-62.8	-50	176.9	-71.8	172.9	-177	-175.9	0	111	S575 S576 A577 L581 S582 E583 T685	S575-K579 WeakPolarHBondContact O-CG 3.41Å; S575-K579 PolarHBondContact O-N 3.12Å; S576-K579 PolarHBondContact O-N 3.15Å; A577-K579 PolarHBondContact O-N 2.91Å; K579-L581 VanDerWaalsContact C-N 3.31Å; K579-L581 PolarHBondContact O-N 3.14Å; K579-S582 CarbonylContact O-C 3.55Å; K579-S582 WeakPolarHBondContact O-CA 3.48Å; K579-S582 WeakPolarHBondContact O-CB 3.31Å; K579-S582 PolarHBondContact O-N 3.13Å; K579-E583 WeakPolarHBondContact O-CG 3.26Å; K579-E583 PolarHBondContact O-N 3.29Å; K579-T685 HydrophobicContact CB-CG2 4.04Å; K579-T685 HydrophobicContact CD-CG2 4.43Å
580	C	96.4	Very high	94.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.2	-37.7	178.4	-172.4	0	0	0	0	112.5	S576 A577 E583 I584 T685 A689 F798	S576-C580 WeakPolarHBondContact O-CB 3.33Å; S576-C580 PolarHBondContact O-N 3.24Å; A577-C580 PolarHBondContact O-N 3.4Å; C580-E583 PolarHBondContact O-N 2.71Å; C580-I584 WeakPolarHBondContact O-CB 3.4Å; C580-I584 WeakPolarHBondContact O-CD1 3.32Å; C580-I584 WeakPolarHBondContact O-CG1 3.24Å; C580-I584 PolarHBondContact O-N 3.04Å; C580-T685 WeakPolarHBondContact CA-OG1 3.35Å; C580-T685 WeakPolarHBondContact CB-OG1 3.28Å; C580-T685 PolarHBondContact N-OG1 3.42Å; C580-A689 HydrophobicContact CB-CB 3.65Å; C580-F798 HydrophobicContact CB-CD1 4.45Å; C580-F798 HydrophobicContact CB-CE1 3.94Å; C580-F798 HydrophobicContact CB-CZ 4.42Å
581	L	96.3	Very high	94.3	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-66.5	-37	173.7	-72	169.7	0	0	0	112	A577 C578 K579 R585 F774 Y778 V781 L797 F798	A577-L581 WeakPolarHBondContact O-CB 3.33Å; A577-L581 VanDerWaalsContact O-CG 3.23Å; A577-L581 WeakPolarHBondContact O-CG 3.46Å; A577-L581 PolarHBondContact O-N 2.76Å; C578-L581 PolarHBondContact O-N 3.24Å; K579-L581 VanDerWaalsContact C-N 3.31Å; K579-L581 PolarHBondContact O-N 3.14Å; L581-R585 WeakPolarHBondContact O-CB 3.43Å; L581-R585 PolarHBondContact O-N 3.12Å; L581-F774 HydrophobicContact CD1-CD2 3.91Å; L581-F774 HydrophobicContact CD1-CE2 3.55Å; L581-F774 HydrophobicContact CD1-CZ 4.43Å; L581-Y778 HydrophobicContact CD1-CD2 4.2Å; L581-Y778 HydrophobicContact CD2-CD2 3.89Å; L581-V781 HydrophobicContact CB-CG2 3.93Å; L581-V781 HydrophobicContact CD2-CB 3.94Å; L581-V781 HydrophobicContact CD2-CG1 3.93Å; L581-V781 HydrophobicContact CD2-CG2 3.87Å; L581-V781 HydrophobicContact CG-CG2 4.49Å; L581-V781 WeakPolarHBondContact O-CG2 3.36Å; L581-L797 HydrophobicContact CD2-CD2 4.49Å; L581-F798 HydrophobicContact CD1-CZ 4.45Å; L581-F798 HydrophobicContact CD2-CE1 4Å; L581-F798 HydrophobicContact CD2-CZ 4.15Å; L581-F798 HydrophobicContact CG-CE1 4.08Å; L581-F798 HydrophobicContact CG-CZ 3.94Å
582	S	94.7	Very high	94	Very high	37 Å²	37	37.6 Å²	37.6	26%	0.259	19%	0.191	S	C	.	.	H	α-helix	trans	-67.5	-40.8	173.5	-154.7	0	0	0	0	111.7	C578 K579 R585 H586 R777	C578-S582 PolarHBondContact O-N 3.14Å; K579-S582 CarbonylContact O-C 3.55Å; K579-S582 WeakPolarHBondContact O-CA 3.48Å; K579-S582 WeakPolarHBondContact O-CB 3.31Å; K579-S582 PolarHBondContact O-N 3.13Å; S582-R585 PolarHBondContact O-N 3.45Å; S582-H586 PolarHBondContact O-N 3.12Å; S582-H586 VanDerWaalsContact O-N 3.16Å; S582-H586 PolarHBondContact O-ND1 3.48Å; S582-R777 PolarHBondContact OG-NH1 3.36Å
583	E	95.3	Very high	93.9	Very high	38 Å²	38	32.3 Å²	32.3	18%	0.178	17%	0.166	C	C	.	.	H	α-helix	trans	-59.2	-50.9	172.9	-72.4	159.4	-148.3	0	0	110.8	K579 C580 R585 H586 S587 M683 P684 T685	K579-E583 WeakPolarHBondContact O-CG 3.26Å; K579-E583 PolarHBondContact O-N 3.29Å; C580-E583 PolarHBondContact O-N 2.71Å; E583-R585 VanDerWaalsContact C-N 3.26Å; E583-R585 PolarHBondContact O-N 3.43Å; E583-H586 PolarHBondContact O-N 2.97Å; E583-H586 VanDerWaalsContact O-N 3.16Å; E583-S587 WeakPolarHBondContact O-CB 3.16Å; E583-S587 PolarHBondContact O-N 3.11Å; E583-M683 HydrophobicContact CB-CG 4.24Å; E583-M683 VanDerWaalsContact OE2-C 3.29Å; E583-M683 VanDerWaalsContact OE2-CA 3.32Å; E583-M683 WeakPolarHBondContact OE2-CA 3.33Å; E583-P684 WeakPolarHBondContact OE2-CD 3.44Å; E583-T685 WeakPolarHBondContact OE1-CG2 3.47Å; E583-T685 PolarHBondContact OE1-OG1 2.95Å; E583-T685 PolarHBondContact OE2-N 3.06Å; E583-T685 PolarHBondContact OE2-OG1 3.14Å
584	I	94.7	Very high	93.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-56.3	-38	175.7	-70.5	163.5	0	0	0	112.2	C580 L590 M683 V781 L785 L797 F798 L801	C580-I584 WeakPolarHBondContact O-CB 3.4Å; C580-I584 WeakPolarHBondContact O-CD1 3.32Å; C580-I584 WeakPolarHBondContact O-CG1 3.24Å; C580-I584 PolarHBondContact O-N 3.04Å; I584-L590 HydrophobicContact CG2-CD2 4.22Å; I584-M683 HydrophobicContact CD1-CE 3.91Å; I584-M683 HydrophobicContact CG1-CE 3.33Å; I584-M683 HydrophobicContact CG1-SD 3.98Å; I584-V781 HydrophobicContact CG2-CG1 3.78Å; I584-L785 HydrophobicContact CG2-CD1 3.87Å; I584-L797 HydrophobicContact CD1-CD2 4.43Å; I584-F798 HydrophobicContact CD1-CD1 4.2Å; I584-F798 HydrophobicContact CD1-CE1 4.08Å; I584-L801 HydrophobicContact CD1-CD1 3.67Å; I584-L801 HydrophobicContact CG1-CD1 4.04Å
585	R	93.4	Very high	93.6	Very high	73 Å²	73	32.5 Å²	32.5	28%	0.275	17%	0.167	S	C	.	.	H	α-helix	trans	-73.8	-28.4	-178.9	178.6	56	-171.6	87.4	-0.8	113.4	L581 S582 E583 V781	L581-R585 WeakPolarHBondContact O-CB 3.43Å; L581-R585 PolarHBondContact O-N 3.12Å; S582-R585 PolarHBondContact O-N 3.45Å; E583-R585 VanDerWaalsContact C-N 3.26Å; E583-R585 PolarHBondContact O-N 3.43Å; R585-V781 HydrophobicContact CB-CG2 4.12Å
586	H	91.9	Very high	93.4	Very high	121 Å²	121	30.5 Å²	30.5	56%	0.56	15%	0.153	S	C	*	.	H	α-helix	trans	-110.6	-3.9	-173.8	-59.5	87.5	0	0	0	113.6	S582 E583 N588	S582-H586 PolarHBondContact O-N 3.12Å; S582-H586 VanDerWaalsContact O-N 3.16Å; S582-H586 PolarHBondContact O-ND1 3.48Å; E583-H586 PolarHBondContact O-N 2.97Å; E583-H586 VanDerWaalsContact O-N 3.16Å; H586-N588 PolarHBondContact O-N 3.15Å; H586-N588 VanDerWaalsContact O-N 3.09Å
587	S	91.6	Very high	93.3	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	15%	0.147	C	C	.	.			trans	-66.3	104.6	174.8	176.5	0	0	0	0	111.5	E583 S589 L590 E682	E583-S587 WeakPolarHBondContact O-CB 3.16Å; E583-S587 PolarHBondContact O-N 3.11Å; S587-S589 VanDerWaalsContact C-N 3.3Å; S587-L590 WeakPolarHBondContact OG-CB 3.36Å; S587-L590 PolarHBondContact OG-N 2.95Å; S587-E682 WeakPolarHBondContact CA-OE2 3.23Å; S587-E682 WeakPolarHBondContact CB-OE2 3.46Å; S587-E682 PolarHBondContact OG-OE2 3.09Å
588	N	87.9	Confident	93.1	Very high	115 Å²	115	29.7 Å²	29.7	62%	0.615	15%	0.147	S	C	*	.	H	α-helix	trans	-67.5	-35.7	172.3	-68.1	-41.4	0	0	0	110.6	H586 L590 C591 H592 E682	H586-N588 PolarHBondContact O-N 3.15Å; H586-N588 VanDerWaalsContact O-N 3.09Å; N588-L590 PolarHBondContact O-N 3.34Å; N588-C591 VanDerWaalsContact O-CB 3.22Å; N588-C591 WeakPolarHBondContact O-CB 3.28Å; N588-C591 PolarHBondContact O-N 3.29Å; N588-C591 VanDerWaalsContact O-N 3.11Å; N588-H592 PolarHBondContact O-N 2.97Å; N588-H592 VanDerWaalsContact O-N 3.12Å; N588-H592 PolarHBondContact O-ND1 3.41Å; N588-E682 PolarHBondContact N-OE2 3.44Å
589	S	89.6	Confident	92.9	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-71.5	-32.5	-177.5	-59.2	0	0	0	0	112.6	S587 C591 H592 V593 A676 W679 E682	S587-S589 VanDerWaalsContact C-N 3.3Å; S589-C591 VanDerWaalsContact C-N 3.29Å; S589-C591 PolarHBondContact O-N 2.94Å; S589-H592 PolarHBondContact O-N 3.01Å; S589-V593 WeakPolarHBondContact O-CG2 3.4Å; S589-V593 PolarHBondContact O-N 2.79Å; S589-A676 WeakPolarHBondContact OG-CA 3.25Å; S589-W679 VanDerWaalsContact CB-CB 3.48Å; S589-E682 VanDerWaalsContact CB-OE1 3.23Å; S589-E682 WeakPolarHBondContact CB-OE1 3.37Å; S589-E682 WeakPolarHBondContact CB-OE2 3.41Å; S589-E682 PolarHBondContact N-OE2 3.03Å; S589-E682 VanDerWaalsContact N-OE2 3.14Å; S589-E682 PolarHBondContact OG-OE1 3.32Å
590	L	91.6	Very high	92.8	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-35	169.1	-177.7	61.2	0	0	0	112	I584 S587 N588 V593 L594 M683 L801	I584-L590 HydrophobicContact CG2-CD2 4.22Å; S587-L590 WeakPolarHBondContact OG-CB 3.36Å; S587-L590 PolarHBondContact OG-N 2.95Å; N588-L590 PolarHBondContact O-N 3.34Å; L590-V593 PolarHBondContact O-N 3.43Å; L590-L594 HydrophobicContact CG-CD1 4.34Å; L590-L594 WeakPolarHBondContact O-CB 3.25Å; L590-L594 VanDerWaalsContact O-CG 3.29Å; L590-L594 WeakPolarHBondContact O-CG 3.35Å; L590-L594 PolarHBondContact O-N 2.83Å; L590-M683 HydrophobicContact CD2-SD 4.31Å; L590-L801 HydrophobicContact CD1-CD2 4.48Å
591	C	91	Very high	92.6	Very high	24 Å²	24	23.4 Å²	23.4	16%	0.162	12%	0.118	C	C	.	.	H	α-helix	trans	-63	-42.9	173	-168.7	0	0	0	0	111.5	V345 N588 S589 L594 S595	V345-C591 HydrophobicContact CG2-CB 4.22Å; N588-C591 VanDerWaalsContact O-CB 3.22Å; N588-C591 WeakPolarHBondContact O-CB 3.28Å; N588-C591 PolarHBondContact O-N 3.29Å; N588-C591 VanDerWaalsContact O-N 3.11Å; S589-C591 VanDerWaalsContact C-N 3.29Å; S589-C591 PolarHBondContact O-N 2.94Å; C591-L594 PolarHBondContact O-N 2.96Å; C591-S595 PolarHBondContact O-N 3.01Å
592	H	91.2	Very high	92.4	Very high	60 Å²	60	23.7 Å²	23.7	28%	0.278	12%	0.12	S	C	.	.	H	α-helix	trans	-62.8	-43	174.9	-56	150	0	0	0	112.4	N588 S589 L594 S595 C596 M668 F672	N588-H592 PolarHBondContact O-N 2.97Å; N588-H592 VanDerWaalsContact O-N 3.12Å; N588-H592 PolarHBondContact O-ND1 3.41Å; S589-H592 PolarHBondContact O-N 3.01Å; H592-L594 PolarHBondContact O-N 2.82Å; H592-S595 PolarHBondContact O-N 2.84Å; H592-C596 PolarHBondContact O-N 2.73Å; H592-M668 HydrophobicContact CB-CE 3.66Å; H592-F672 HydrophobicContact CB-CD1 4.03Å; H592-F672 HydrophobicContact CB-CD2 4.26Å; H592-F672 HydrophobicContact CB-CE1 3.82Å; H592-F672 HydrophobicContact CB-CE2 4.05Å; H592-F672 HydrophobicContact CB-CG 4.25Å; H592-F672 HydrophobicContact CB-CZ 3.82Å; H592-F672 AromaticContact CD2-CD1 3.89Å; H592-F672 AromaticContact CD2-CE1 3.25Å; H592-F672 WeakPolarHBondContact CD2-CE1 3.46Å; H592-F672 AromaticContact CD2-CZ 3.8Å; H592-F672 AromaticContact CE1-CD1 3.92Å; H592-F672 AromaticContact CE1-CE1 3.98Å; H592-F672 AromaticContact CG-CD1 3.61Å; H592-F672 AromaticContact CG-CE1 3.38Å; H592-F672 AromaticContact CG-CZ 3.87Å; H592-F672 AromaticContact ND1-CD1 3.63Å; H592-F672 AromaticContact ND1-CE1 3.84Å; H592-F672 AromaticContact NE2-CE1 3.67Å
593	V	93.4	Very high	92.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.6	-46.3	173.1	172.3	0	0	0	0	111.3	S589 L590 S595 A597 L664 M668 W679 F804	S589-V593 WeakPolarHBondContact O-CG2 3.4Å; S589-V593 PolarHBondContact O-N 2.79Å; L590-V593 PolarHBondContact O-N 3.43Å; V593-S595 VanDerWaalsContact C-N 3.35Å; V593-S595 PolarHBondContact O-N 3.14Å; V593-A597 VanDerWaalsContact O-CB 3.26Å; V593-A597 WeakPolarHBondContact O-CB 3.49Å; V593-A597 PolarHBondContact O-N 2.71Å; V593-L664 HydrophobicContact CG1-CD2 4.37Å; V593-M668 HydrophobicContact CB-SD 4.12Å; V593-M668 HydrophobicContact CG2-SD 3.43Å; V593-M668 WeakPolarHBondContact CG2-SD 3.42Å; V593-W679 HydrophobicContact CG2-CB 4.28Å; V593-W679 HydrophobicContact CG2-CD2 4.32Å; V593-W679 HydrophobicContact CG2-CG 3.84Å; V593-F804 HydrophobicContact CG1-CE1 3.76Å; V593-F804 HydrophobicContact CG1-CZ 3.79Å
594	L	93.6	Very high	91.8	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-64.2	-37.5	177.8	-71.8	168	0	0	0	112.1	V345 W346 I349 L590 C591 H592 L598 V642 L645 L785	V345-L594 HydrophobicContact CG1-CD1 4.08Å; V345-L594 HydrophobicContact CG2-CD1 4.07Å; W346-L594 HydrophobicContact CH2-CB 4.31Å; W346-L594 HydrophobicContact CH2-CD2 3.78Å; W346-L594 HydrophobicContact CZ2-CD2 4.07Å; W346-L594 HydrophobicContact CZ3-CB 4.4Å; I349-L594 HydrophobicContact CD1-CB 3.75Å; L590-L594 HydrophobicContact CG-CD1 4.34Å; L590-L594 WeakPolarHBondContact O-CB 3.25Å; L590-L594 VanDerWaalsContact O-CG 3.29Å; L590-L594 WeakPolarHBondContact O-CG 3.35Å; L590-L594 PolarHBondContact O-N 2.83Å; C591-L594 PolarHBondContact O-N 2.96Å; H592-L594 PolarHBondContact O-N 2.82Å; L594-L598 WeakPolarHBondContact O-CB 3.31Å; L594-L598 PolarHBondContact O-N 3.33Å; L594-V642 HydrophobicContact CD2-CG2 4.47Å; L594-L645 HydrophobicContact CD2-CD1 4.06Å; L594-L645 HydrophobicContact CD2-CD2 4.28Å; L594-L645 HydrophobicContact CD2-CG 4.43Å; L594-L785 HydrophobicContact CD1-CD2 4.26Å
595	S	91.7	Very high	91.5	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.042	11%	0.105	C	C	.	.	H	α-helix	trans	-66.3	-51.1	175.9	-169	0	0	0	0	112.3	I349 D350 L354 C591 H592 V593 A597 L598 A599	I349-S595 WeakPolarHBondContact CG2-OG 3.46Å; D350-S595 PolarHBondContact O-OG 3.42Å; L354-S595 WeakPolarHBondContact CD1-OG 3.47Å; C591-S595 PolarHBondContact O-N 3.01Å; H592-S595 PolarHBondContact O-N 2.84Å; V593-S595 VanDerWaalsContact C-N 3.35Å; V593-S595 PolarHBondContact O-N 3.14Å; S595-A597 VanDerWaalsContact C-N 3.28Å; S595-A597 PolarHBondContact O-N 3.07Å; S595-L598 WeakPolarHBondContact O-CB 3.18Å; S595-L598 PolarHBondContact O-N 2.57Å; S595-L598 VanDerWaalsContact O-N 3.12Å; S595-A599 WeakPolarHBondContact O-CB 3.36Å; S595-A599 PolarHBondContact O-N 3.43Å
596	C	92.9	Very high	90.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.6	-39.9	175	-75.9	0	0	0	0	112.1	H592 A599 L600 L664 L667 M668	H592-C596 PolarHBondContact O-N 2.73Å; C596-A599 PolarHBondContact O-N 3.07Å; C596-L600 WeakPolarHBondContact O-CG 3.39Å; C596-L600 PolarHBondContact O-N 3.03Å; C596-L600 VanDerWaalsContact O-N 3.07Å; C596-L664 HydrophobicContact CB-CD1 3.35Å; C596-L667 HydrophobicContact CB-CD2 3.97Å; C596-L667 HydrophobicContact CB-CG 4.31Å; C596-M668 HydrophobicContact CB-CG 4.4Å
597	A	94	Very high	89.7	Confident	1 Å²	1	13.7 Å²	13.7	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-65.5	-40.4	176.1	0	0	0	0	0	112.2	V593 S595 V601 F640 L645 L648 L664	V593-A597 VanDerWaalsContact O-CB 3.26Å; V593-A597 WeakPolarHBondContact O-CB 3.49Å; V593-A597 PolarHBondContact O-N 2.71Å; S595-A597 VanDerWaalsContact C-N 3.28Å; S595-A597 PolarHBondContact O-N 3.07Å; A597-V601 WeakPolarHBondContact O-CB 3.12Å; A597-V601 WeakPolarHBondContact O-CG2 3.31Å; A597-V601 PolarHBondContact O-N 3.25Å; A597-F640 HydrophobicContact CB-CE1 4.18Å; A597-F640 HydrophobicContact CB-CZ 3.81Å; A597-L645 HydrophobicContact CB-CD2 4.13Å; A597-L648 HydrophobicContact CB-CD1 4.07Å; A597-L664 HydrophobicContact CB-CD1 4.22Å; A597-L664 HydrophobicContact CB-CD2 4.24Å
598	L	92.9	Very high	88.3	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.4	-45.5	175.5	-175.3	62.4	0	0	0	111.6	K318 W346 I349 L594 S595 L600 V601 N602 F637 L638 F640	K318-L598 HydrophobicContact CD-CD2 4.44Å; W346-L598 HydrophobicContact CE3-CD2 4.23Å; W346-L598 HydrophobicContact CZ3-CB 4.28Å; W346-L598 HydrophobicContact CZ3-CD1 4.42Å; W346-L598 HydrophobicContact CZ3-CD2 4.29Å; I349-L598 HydrophobicContact CG2-CD2 4.01Å; L594-L598 WeakPolarHBondContact O-CB 3.31Å; L594-L598 PolarHBondContact O-N 3.33Å; S595-L598 WeakPolarHBondContact O-CB 3.18Å; S595-L598 PolarHBondContact O-N 2.57Å; S595-L598 VanDerWaalsContact O-N 3.12Å; L598-L600 PolarHBondContact O-N 3.02Å; L598-V601 PolarHBondContact O-N 3.3Å; L598-N602 WeakPolarHBondContact O-CB 2.81Å; L598-N602 PolarHBondContact O-N 2.9Å; L598-F637 HydrophobicContact CD1-CB 4.3Å; L598-L638 WeakPolarHBondContact CD2-O 3.34Å; L598-F640 HydrophobicContact CB-CE1 4.35Å; L598-F640 HydrophobicContact CD1-CD1 4.07Å; L598-F640 HydrophobicContact CD1-CE1 4.44Å
599	A	91.7	Very high	86.7	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.6	-50.4	177.4	0	0	0	0	0	111.1	D351 L355 S595 C596 V601 N602 A603 L667	D351-A599 HydrophobicContact CB-CB 4.19Å; L355-A599 HydrophobicContact CD1-CB 3.68Å; L355-A599 WeakPolarHBondContact CD1-O 3.32Å; L355-A599 HydrophobicContact CG-CB 4.03Å; S595-A599 WeakPolarHBondContact O-CB 3.36Å; S595-A599 PolarHBondContact O-N 3.43Å; C596-A599 PolarHBondContact O-N 3.07Å; A599-V601 PolarHBondContact O-N 2.72Å; A599-N602 PolarHBondContact O-N 2.98Å; A599-A603 WeakPolarHBondContact O-CB 3.5Å; A599-A603 PolarHBondContact O-N 2.85Å; A599-L667 HydrophobicContact CB-CD2 4.44Å
600	L	92.9	Very high	84.2	Confident	2 Å²	2	22 Å²	22	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-43.1	176.7	-72.8	172.8	0	0	0	113	F359 L363 C596 L598 A603 L604 L660 L664 L667	F359-L600 HydrophobicContact CE1-CD2 3.73Å; F359-L600 HydrophobicContact CZ-CD2 4.32Å; L363-L600 HydrophobicContact CD1-CD2 4.06Å; L363-L600 HydrophobicContact CD2-CD2 3.8Å; C596-L600 WeakPolarHBondContact O-CG 3.39Å; C596-L600 PolarHBondContact O-N 3.03Å; C596-L600 VanDerWaalsContact O-N 3.07Å; L598-L600 PolarHBondContact O-N 3.02Å; L600-A603 PolarHBondContact O-N 2.87Å; L600-L604 WeakPolarHBondContact O-CB 3.3Å; L600-L604 PolarHBondContact O-N 2.98Å; L600-L660 HydrophobicContact CB-CD1 4.18Å; L600-L660 HydrophobicContact CD1-CD1 4.17Å; L600-L660 HydrophobicContact CD2-CD1 4.37Å; L600-L660 HydrophobicContact CG-CD1 4.49Å; L600-L664 HydrophobicContact CD1-CB 3.82Å; L600-L664 HydrophobicContact CD1-CD1 4.22Å; L600-L667 HydrophobicContact CD1-CD2 4.22Å; L600-L667 HydrophobicContact CD2-CD2 4.02Å; L600-L667 HydrophobicContact CG-CD2 3.75Å
601	V	92.3	Very high	81.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-44.2	177.4	164.8	0	0	0	0	111.1	V330 V332 A597 L598 A599 N605 F637 L648	V330-V601 HydrophobicContact CB-CG2 4.21Å; V330-V601 HydrophobicContact CG1-CG2 4.07Å; V330-V601 HydrophobicContact CG2-CG2 4.4Å; V332-V601 HydrophobicContact CG1-CG1 4.44Å; V332-V601 HydrophobicContact CG1-CG2 4.01Å; V332-V601 HydrophobicContact CG2-CG1 3.75Å; A597-V601 WeakPolarHBondContact O-CB 3.12Å; A597-V601 WeakPolarHBondContact O-CG2 3.31Å; A597-V601 PolarHBondContact O-N 3.25Å; L598-V601 PolarHBondContact O-N 3.3Å; A599-V601 PolarHBondContact O-N 2.72Å; V601-N605 VanDerWaalsContact O-CB 3.28Å; V601-N605 WeakPolarHBondContact O-CB 3.45Å; V601-N605 PolarHBondContact O-N 2.93Å; V601-N605 PolarHBondContact O-ND2 3.38Å; V601-F637 HydrophobicContact CG1-CD2 3.72Å; V601-F637 HydrophobicContact CG1-CE2 4.11Å; V601-L648 HydrophobicContact CG2-CD2 4.1Å
602	N	91.4	Very high	79	Confident	8 Å²	8	31.8 Å²	31.8	4%	0.043	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-40.5	176.6	-80.5	-27.8	0	0	0	111.6	F321 D351 L598 A599 A606 F637	F321-N602 HydrophobicContact CD2-CB 4.12Å; F321-N602 HydrophobicContact CE2-CB 3.93Å; D351-N602 PolarHBondContact OD2-ND2 3.38Å; L598-N602 WeakPolarHBondContact O-CB 2.81Å; L598-N602 PolarHBondContact O-N 2.9Å; A599-N602 PolarHBondContact O-N 2.98Å; N602-A606 PolarHBondContact O-N 3.03Å; N602-F637 PolarHBondContact ND2-O 3.49Å; N602-F637 VanDerWaalsContact ND2-O 3.1Å; N602-F637 PolarHBondContact OD1-N 3.47Å
603	A	89.2	Confident	76.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68	-35.3	178.2	0	0	0	0	0	113.7	F321 L355 L363 H364 A599 L600 A606	F321-A603 HydrophobicContact CD1-CB 4.23Å; F321-A603 HydrophobicContact CD2-CB 4.26Å; F321-A603 HydrophobicContact CE1-CB 4.29Å; F321-A603 HydrophobicContact CE2-CB 4.32Å; F321-A603 HydrophobicContact CG-CB 4.21Å; F321-A603 HydrophobicContact CZ-CB 4.34Å; L355-A603 HydrophobicContact CD1-CB 3.8Å; L363-A603 HydrophobicContact CD2-CB 3.81Å; H364-A603 PolarHBondContact NE2-O 3.48Å; A599-A603 WeakPolarHBondContact O-CB 3.5Å; A599-A603 PolarHBondContact O-N 2.85Å; L600-A603 PolarHBondContact O-N 2.87Å; A603-A606 WeakPolarHBondContact O-CB 3.41Å
604	L	89.5	Confident	73.4	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-84	-30	177.6	-74.4	-177	0	0	0	114.1	L327 V330 L363 F367 L600 A606 T651 L660	L327-L604 HydrophobicContact CD1-CD2 4.2Å; V330-L604 HydrophobicContact CG2-CB 3.74Å; V330-L604 HydrophobicContact CG2-CD1 3.65Å; V330-L604 HydrophobicContact CG2-CG 4.33Å; L363-L604 HydrophobicContact CD1-CD2 4.34Å; L363-L604 HydrophobicContact CD2-CD2 4.12Å; L363-L604 HydrophobicContact CD2-CG 4.08Å; L363-L604 HydrophobicContact CG-CD2 3.81Å; L363-L604 HydrophobicContact CG-CG 4.22Å; F367-L604 HydrophobicContact CB-CD2 3.45Å; F367-L604 VanDerWaalsContact CB-CD2 3.45Å; F367-L604 HydrophobicContact CD1-CD1 4.13Å; F367-L604 HydrophobicContact CD1-CD2 4.46Å; F367-L604 HydrophobicContact CD2-CD1 4.24Å; F367-L604 HydrophobicContact CD2-CD2 3.88Å; F367-L604 HydrophobicContact CE1-CD1 4.37Å; F367-L604 HydrophobicContact CE2-CD1 4.48Å; F367-L604 HydrophobicContact CG-CD1 4.06Å; F367-L604 HydrophobicContact CG-CD2 3.68Å; L600-L604 WeakPolarHBondContact O-CB 3.3Å; L600-L604 PolarHBondContact O-N 2.98Å; L604-A606 PolarHBondContact O-N 3.23Å; L604-T651 HydrophobicContact CD1-CG2 4.45Å; L604-L660 HydrophobicContact CD1-CD1 3.57Å; L604-L660 HydrophobicContact CD1-CD2 3.93Å; L604-L660 HydrophobicContact CD1-CG 4.39Å
605	N	88.4	Confident	70.7	Confident	22 Å²	22	54.6 Å²	54.6	12%	0.118	29%	0.29	C	S	.	.	S	Bend	trans	-83.5	7.4	175.2	-72.8	-36.2	0	0	0	113.7	K329 V330 V601	K329-N605 WeakPolarHBondContact CA-OD1 3.48Å; K329-N605 VanDerWaalsContact CB-OD1 3.25Å; K329-N605 WeakPolarHBondContact CB-OD1 3.46Å; K329-N605 WeakPolarHBondContact CG-OD1 3.23Å; V330-N605 PolarHBondContact N-OD1 2.89Å; V330-N605 VanDerWaalsContact N-OD1 3.14Å; V330-N605 PolarHBondContact O-ND2 2.82Å; V601-N605 VanDerWaalsContact O-CB 3.28Å; V601-N605 WeakPolarHBondContact O-CB 3.45Å; V601-N605 PolarHBondContact O-N 2.93Å; V601-N605 PolarHBondContact O-ND2 3.38Å
606	A	80.7	Confident	68.1	Low	17 Å²	17	59.7 Å²	59.7	14%	0.14	33%	0.325	C	S	.	.			trans	-42.5	143.2	170.2	0	0	0	0	0	113.5	F321 A323 N602 A603 L604	F321-A606 HydrophobicContact CB-CB 3.8Å; F321-A606 WeakPolarHBondContact O-CB 3.39Å; A323-A606 HydrophobicContact CB-CB 4.15Å; N602-A606 PolarHBondContact O-N 3.03Å; A603-A606 WeakPolarHBondContact O-CB 3.41Å; L604-A606 PolarHBondContact O-N 3.23Å
607	T	66.4	Low	65.5	Low	18 Å²	18	68.9 Å²	68.9	11%	0.11	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	142	170	48.9	0	0	0	0	110.6	A323 Q609 R634	A323-T607 PolarHBondContact N-O 3.35Å; T607-Q609 PolarHBondContact O-N 2.9Å; T607-R634 HydrophobicContact CG2-CB 4.14Å; T607-R634 HydrophobicContact CG2-CG 4.21Å
608	R	61.7	Low	62.8	Low	114 Å²	114	76.8 Å²	76.8	43%	0.43	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	124.9	164.5	-169.6	-174.1	-170.5	-145.2	-0.8	109	A323 P324 C610 F631	A323-R608 VanDerWaalsContact O-CA 3.26Å; A323-R608 WeakPolarHBondContact O-CA 3.4Å; A323-R608 WeakPolarHBondContact O-CG 2.84Å; P324-R608 PolarHBondContact O-NE 3.12Å; R608-C610 VanDerWaalsContact CZ-SG 3.54Å; R608-F631 WeakPolarHBondContact O-CD1 3.12Å; R608-F631 WeakPolarHBondContact O-CE1 3.47Å
609	Q	55.7	Low	60.2	Low	104 Å²	104	82.1 Å²	82.1	49%	0.486	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-102.3	122.8	158.9	-59.6	179.2	18.1	0	0	106.4	S322 T607	S322-Q609 VanDerWaalsContact OG-CB 3.31Å; S322-Q609 WeakPolarHBondContact OG-CB 3.36Å; S322-Q609 VanDerWaalsContact OG-CD 3.23Å; S322-Q609 WeakPolarHBondContact OG-CG 3.24Å; T607-Q609 PolarHBondContact O-N 2.9Å
610	C	37.1	Very low	57.7	Low	79 Å²	79	87.8 Å²	87.8	53%	0.534	48%	0.484	S	S	.	.			trans	-94.8	97.3	174.1	-146.3	0	0	0	0	106.9	R608 V612	R608-C610 VanDerWaalsContact CZ-SG 3.54Å; C610-V612 PolarHBondContact O-N 2.59Å
611	S	38.7	Very low	55	Low	108 Å²	108	94 Å²	94	76%	0.755	52%	0.517	S	S	*	.			trans	-69	115.2	171.8	44.8	0	0	0	0	109.3	Y613	S611-Y613 VanDerWaalsContact C-N 3.29Å; S611-Y613 PolarHBondContact O-N 2.94Å
612	V	33	Very low	52.5	Low	126 Å²	126	102.9 Å²	102.9	76%	0.764	56%	0.558	S	S	*	*	S	Bend	trans	-85.7	69.3	-176.5	-172.6	0	0	0	0	110	C610	C610-V612 PolarHBondContact O-N 2.59Å
613	Y	35.6	Very low	49.9	Very low	229 Å²	229	107.9 Å²	107.9	90%	0.898	59%	0.594	S	S	*	*			trans	-149.3	45.5	174	-74.7	-62.1	0	0	0	112.8	S611	S611-Y613 VanDerWaalsContact C-N 3.29Å; S611-Y613 PolarHBondContact O-N 2.94Å
614	E	32.3	Very low	47.1	Very low	188 Å²	188	111.9 Å²	111.9	88%	0.879	64%	0.635	S	S	*	*			trans	-147.7	65.4	166.3	-158.5	166.9	-149.1	0	0	111.3
615	S	37.8	Very low	44.7	Very low	123 Å²	123	118.9 Å²	118.9	86%	0.86	67%	0.672	S	S	*	*			trans	-147.1	111.7	162.2	-69.3	0	0	0	0	107
616	S	36.7	Very low	42.1	Very low	113 Å²	113	123.5 Å²	123.5	79%	0.79	70%	0.701	S	S	*	*			trans	-72.3	157.1	-174	-53.2	0	0	0	0	112.2
617	Q	37.7	Very low	39.9	Very low	194 Å²	194	128.3 Å²	128.3	91%	0.907	74%	0.74	S	S	*	*			trans	79.5	122	165.6	-59.2	169.9	-4.2	0	0	117
618	L	36.8	Very low	38.4	Very low	167 Å²	167	132 Å²	132	87%	0.874	77%	0.767	S	S	*	*			trans	-80	173.3	168.9	-68.4	155.3	0	0	0	110.2
619	P	39.3	Very low	37.1	Very low	112 Å²	112	134.8 Å²	134.8	73%	0.727	79%	0.785	S	S	*	*			cis	-136.1	170.1	-47.4	38.4	-24.1	0	0	0	111.9
620	S	38.1	Very low	35.9	Very low	118 Å²	118	133.2 Å²	133.2	83%	0.825	80%	0.797	S	S	*	*			trans	-154.8	143.6	152	53.3	0	0	0	0	111.6
621	D	37	Very low	36.1	Very low	133 Å²	133	135.7 Å²	135.7	71%	0.711	80%	0.799	S	S	*	*			trans	-80	172.1	-176.5	-65.6	-77.8	0	0	0	113.3
622	H	39.5	Very low	36.4	Very low	187 Å²	187	136.1 Å²	136.1	87%	0.866	80%	0.797	S	S	*	*			trans	73.5	66.5	166.2	-40.6	-62.4	0	0	0	118.4
623	S	36.5	Very low	37.4	Very low	113 Å²	113	137.9 Å²	137.9	79%	0.79	79%	0.794	S	S	*	*			trans	-147.4	74	150.6	56.5	0	0	0	0	113.6	L625	S623-L625 PolarHBondContact O-N 3.14Å
624	G	30.4	Very low	38.6	Very low	84 Å²	84	134.3 Å²	134.3	87%	0.866	78%	0.779	S	S	*	*			trans	-74.2	75.9	179.8	0	0	0	0	0	114.3
625	L	40.2	Very low	40.6	Very low	148 Å²	148	132.1 Å²	132.1	78%	0.775	77%	0.766	S	S	*	*			trans	-131.9	117	177.3	-75.8	173.6	0	0	0	114.5	S623	S623-L625 PolarHBondContact O-N 3.14Å
626	T	33.6	Very low	42.8	Very low	119 Å²	119	128 Å²	128	73%	0.73	74%	0.737	S	S	*	*			trans	66.5	53.4	151	62.3	0	0	0	0	119.4	S628	T626-S628 PolarHBondContact O-N 3.05Å
627	A	34.3	Very low	45.1	Very low	117 Å²	117	125 Å²	125	97%	0.967	71%	0.709	S	S	*	*			trans	-73	59.7	162.1	0	0	0	0	0	112.8
628	S	33.6	Very low	47.4	Very low	97 Å²	97	116.6 Å²	116.6	68%	0.678	67%	0.671	S	S	*	*			trans	-129.5	32.5	-168.4	58.7	0	0	0	0	116.1	T626	T626-S628 PolarHBondContact O-N 3.05Å
629	Q	34.6	Very low	49.9	Very low	171 Å²	171	108.7 Å²	108.7	80%	0.799	63%	0.629	S	S	*	*			trans	-102.4	83.3	159.8	-76.4	-161.1	-0	0	0	111.8	F631	Q629-F631 PolarHBondContact O-N 3.01Å
630	G	32.1	Very low	52.4	Low	72 Å²	72	103.3 Å²	103.3	74%	0.742	60%	0.595	S	S	*	*			trans	-61.4	99.4	168.8	0	0	0	0	0	110.9	V632	G630-V632 PolarHBondContact O-N 3.26Å
631	F	40.8	Very low	55	Low	130 Å²	130	100.7 Å²	100.7	57%	0.57	57%	0.569	S	S	*	*			trans	-68.1	98.1	-176.6	-124.2	-97	0	0	0	110.3	R608 Q629 K633	R608-F631 WeakPolarHBondContact O-CD1 3.12Å; R608-F631 WeakPolarHBondContact O-CE1 3.47Å; Q629-F631 PolarHBondContact O-N 3.01Å; F631-K633 PolarHBondContact O-N 3.38Å
632	V	44.3	Very low	57.7	Low	117 Å²	117	94.6 Å²	94.6	71%	0.709	54%	0.537	S	S	*	.			trans	-62.6	98.8	178.7	-177.8	0	0	0	0	109.4	G630 R634	G630-V632 PolarHBondContact O-N 3.26Å; V632-R634 PolarHBondContact O-N 3.48Å
633	K	53.9	Low	60.2	Low	164 Å²	164	89.6 Å²	89.6	71%	0.713	51%	0.51	S	S	*	.			trans	-54.9	106.7	168.5	-70.2	-176	178.9	-179.6	0	107.5	F631 K635	F631-K633 PolarHBondContact O-N 3.38Å; K633-K635 PolarHBondContact O-N 2.76Å
634	R	62.1	Low	62.9	Low	154 Å²	154	84.4 Å²	84.4	58%	0.581	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-67.8	127.6	175.8	-72.5	-171.5	176.5	77.2	8.8	107.8	T607 V632	T607-R634 HydrophobicContact CG2-CB 4.14Å; T607-R634 HydrophobicContact CG2-CG 4.21Å; V632-R634 PolarHBondContact O-N 3.48Å
635	K	73.9	Confident	65.9	Low	141 Å²	141	80.5 Å²	80.5	61%	0.613	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-63.8	139.3	173.7	-61.9	-161.1	176.9	-163.7	0	109	E308 K633	E308-K635 IonicContact OE1-NZ 3.69Å; E308-K635 PolarHBondContact OE1-NZ 2.73Å; K633-K635 PolarHBondContact O-N 2.76Å
636	P	82.5	Confident	68.5	Low	36 Å²	36	75 Å²	75	23%	0.234	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-62.4	153.6	176.5	27.5	-33.8	0	0	0	109.9	K318 T320	K318-P636 HydrophobicContact CB-CB 3.86Å; K318-P636 HydrophobicContact CB-CG 3.7Å; K318-P636 WeakPolarHBondContact O-CG 3.26Å; T320-P636 HydrophobicContact CG2-CG 3.98Å
637	F	86.4	Confident	71.4	Confident	50 Å²	50	74 Å²	74	22%	0.219	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-78	134.2	178.7	-59.2	-17.2	0	0	0	109.4	V332 P334 L598 V601 N602 G639	V332-F637 HydrophobicContact CG2-CD2 3.89Å; V332-F637 HydrophobicContact CG2-CE2 3.68Å; P334-F637 HydrophobicContact CB-CD1 3.74Å; P334-F637 HydrophobicContact CB-CD2 4.03Å; P334-F637 HydrophobicContact CB-CE1 3.85Å; P334-F637 HydrophobicContact CB-CE2 4.14Å; P334-F637 HydrophobicContact CB-CG 3.84Å; P334-F637 HydrophobicContact CB-CZ 4.05Å; P334-F637 HydrophobicContact CG-CE1 4.19Å; P334-F637 HydrophobicContact CG-CZ 4.21Å; L598-F637 HydrophobicContact CD1-CB 4.3Å; V601-F637 HydrophobicContact CG1-CD2 3.72Å; V601-F637 HydrophobicContact CG1-CE2 4.11Å; N602-F637 PolarHBondContact ND2-O 3.49Å; N602-F637 VanDerWaalsContact ND2-O 3.1Å; N602-F637 PolarHBondContact OD1-N 3.47Å; F637-G639 VanDerWaalsContact C-N 3.32Å
638	L	86.5	Confident	74.2	Confident	19 Å²	19	68.6 Å²	68.6	10%	0.099	34%	0.343	C	S	.	.	S	Bend	trans	-76	-25.9	173	-60.6	174.2	0	0	0	111.7	M311 M315 K318 K337 L340 L598	M311-L638 HydrophobicContact SD-CD2 3.95Å; M315-L638 HydrophobicContact CE-CB 4.43Å; M315-L638 HydrophobicContact CE-CD2 4.13Å; K318-L638 HydrophobicContact CG-CD2 3.83Å; K337-L638 HydrophobicContact CG-CD1 3.66Å; L340-L638 HydrophobicContact CD1-CB 4.03Å; L340-L638 HydrophobicContact CD1-CD1 3.96Å; L598-L638 WeakPolarHBondContact CD2-O 3.34Å
639	G	88.9	Confident	77	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.318	C	S	.	.			trans	178.7	174.1	-179	0	0	0	0	0	110.5	L335 F637	L335-G639 PolarHBondContact N-O 3.14Å; F637-G639 VanDerWaalsContact C-N 3.32Å
640	F	91.9	Very high	79.8	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-140.1	158.9	178.8	59.9	-93.8	0	0	0	111.8	V332 S333 W346 A597 L598 V642 N644 L645	V332-F640 HydrophobicContact CB-CB 4.02Å; V332-F640 HydrophobicContact CB-CG 4.33Å; V332-F640 HydrophobicContact CG1-CG 4.48Å; V332-F640 HydrophobicContact CG2-CB 3.93Å; V332-F640 HydrophobicContact CG2-CG 4.45Å; S333-F640 CarbonylContact O-C 3.59Å; S333-F640 WeakPolarHBondContact O-CA 3.33Å; S333-F640 VanDerWaalsContact O-CB 3.28Å; S333-F640 WeakPolarHBondContact O-CB 3.26Å; W346-F640 AromaticContact CH2-CD1 3.83Å; W346-F640 HydrophobicContact CH2-CD1 3.83Å; W346-F640 HydrophobicContact CH2-CD2 4.38Å; W346-F640 AromaticContact CH2-CE1 3.71Å; W346-F640 HydrophobicContact CH2-CE1 3.71Å; W346-F640 HydrophobicContact CH2-CE2 4.3Å; W346-F640 HydrophobicContact CH2-CG 4.16Å; W346-F640 AromaticContact CH2-CZ 3.96Å; W346-F640 HydrophobicContact CH2-CZ 3.96Å; W346-F640 WeakPolarHBondContact CZ2-O 3.44Å; W346-F640 HydrophobicContact CZ3-CD1 4.19Å; W346-F640 HydrophobicContact CZ3-CE1 4.09Å; A597-F640 HydrophobicContact CB-CE1 4.18Å; A597-F640 HydrophobicContact CB-CZ 3.81Å; L598-F640 HydrophobicContact CB-CE1 4.35Å; L598-F640 HydrophobicContact CD1-CD1 4.07Å; L598-F640 HydrophobicContact CD1-CE1 4.44Å; F640-V642 PolarHBondContact O-N 3.09Å; F640-N644 HydrophobicContact CD2-CB 4.15Å; F640-L645 HydrophobicContact CE2-CD2 3.94Å; F640-L645 HydrophobicContact CE2-CG 4.21Å; F640-L645 HydrophobicContact CZ-CD2 3.9Å
641	E	92.2	Very high	82.7	Confident	63 Å²	63	59 Å²	59	29%	0.294	28%	0.276	S	S	.	.			trans	-65.5	122.7	178.6	-67.3	162.3	-170.5	0	0	110.5	S333 L335 R339 R643 N644	S333-E641 WeakPolarHBondContact CB-OE2 3.18Å; S333-E641 PolarHBondContact O-N 3.43Å; S333-E641 PolarHBondContact OG-OE2 3.38Å; L335-E641 HydrophobicContact CD2-CG 3.96Å; R339-E641 IonicContact CZ-OE1 3.22Å; R339-E641 IonicContact NH2-OE1 3.73Å; R339-E641 PolarHBondContact NH2-OE1 2.99Å; E641-R643 PolarHBondContact O-N 2.84Å; E641-N644 WeakPolarHBondContact O-CB 3.44Å; E641-N644 PolarHBondContact O-N 3.47Å; E641-N644 PolarHBondContact O-ND2 3.49Å
642	V	92.6	Very high	85.1	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.03	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-54.5	-30.8	-168.8	178.5	0	0	0	0	114.1	W346 L594 F640 N644 L645 L785 L787 L797 L801	W346-V642 HydrophobicContact CZ2-CG2 4.29Å; L594-V642 HydrophobicContact CD2-CG2 4.47Å; F640-V642 PolarHBondContact O-N 3.09Å; V642-N644 PolarHBondContact O-N 2.9Å; V642-L645 HydrophobicContact CG1-CD1 3.88Å; V642-L645 HydrophobicContact CG1-CG 4.44Å; V642-L645 WeakPolarHBondContact O-CB 3.27Å; V642-L645 WeakPolarHBondContact O-CG 3.48Å; V642-L645 PolarHBondContact O-N 2.82Å; V642-L785 HydrophobicContact CG2-CB 4.06Å; V642-L785 HydrophobicContact CG2-CD1 4.4Å; V642-L785 HydrophobicContact CG2-CD2 4.38Å; V642-L787 HydrophobicContact CB-CD2 4.25Å; V642-L787 HydrophobicContact CG2-CD2 4.1Å; V642-L797 HydrophobicContact CG1-CD1 4.49Å; V642-L801 HydrophobicContact CG1-CD2 4.33Å
643	R	92.8	Very high	87.4	Confident	81 Å²	81	52.8 Å²	52.8	31%	0.306	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-50.7	-27.1	171.7	178.6	169.9	-50.5	-157.4	22.7	113.5	E641 L645 K791 Y792 E796 D800	E641-R643 PolarHBondContact O-N 2.84Å; R643-L645 VanDerWaalsContact C-N 3.25Å; R643-L645 PolarHBondContact O-N 3.39Å; R643-K791 PolarHBondContact NH2-O 2.94Å; R643-Y792 HydrophobicContact CB-CE1 4.3Å; R643-E796 IonicContact CZ-OE1 2.89Å; R643-E796 VanDerWaalsContact CZ-OE1 3.29Å; R643-E796 IonicContact CZ-OE2 2.66Å; R643-E796 IonicContact NH1-OE1 3.3Å; R643-E796 PolarHBondContact NH1-OE1 3.26Å; R643-E796 IonicContact NH1-OE2 2.67Å; R643-E796 IonicContact NH2-OE1 3.38Å; R643-E796 PolarHBondContact NH2-OE1 2.93Å; R643-E796 IonicContact NH2-OE2 2.75Å; R643-E796 PolarHBondContact NH2-OE2 2.85Å; R643-D800 VanDerWaalsContact CG-OD2 3.24Å; R643-D800 WeakPolarHBondContact CG-OD2 3.46Å; R643-D800 IonicContact NE-OD2 3.04Å; R643-D800 PolarHBondContact NE-OD2 3.47Å
644	N	93.8	Very high	89.1	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.027	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-74	-6.9	177.7	-63.8	-76.2	0	0	0	114.5	V332 S333 F640 E641 V642 V646 R647 L648	V332-N644 HydrophobicContact CB-CB 4.04Å; V332-N644 HydrophobicContact CG1-CB 3.98Å; S333-N644 PolarHBondContact N-ND2 3.02Å; S333-N644 VanDerWaalsContact N-ND2 3.2Å; S333-N644 PolarHBondContact OG-ND2 3.35Å; F640-N644 HydrophobicContact CD2-CB 4.15Å; E641-N644 WeakPolarHBondContact O-CB 3.44Å; E641-N644 PolarHBondContact O-N 3.47Å; E641-N644 PolarHBondContact O-ND2 3.49Å; V642-N644 PolarHBondContact O-N 2.9Å; N644-V646 VanDerWaalsContact C-N 3.33Å; N644-V646 PolarHBondContact O-N 3.3Å; N644-R647 WeakPolarHBondContact O-CB 3.35Å; N644-R647 PolarHBondContact O-N 2.76Å; N644-R647 VanDerWaalsContact O-N 3.09Å; N644-R647 PolarHBondContact OD1-NH1 3.33Å; N644-L648 PolarHBondContact O-N 2.94Å
645	L	93.7	Very high	90.4	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-57.5	-43.9	173.3	-77.9	179.9	0	0	0	112.1	L594 A597 F640 V642 R643 R647 L648 L801 F804	L594-L645 HydrophobicContact CD2-CD1 4.06Å; L594-L645 HydrophobicContact CD2-CD2 4.28Å; L594-L645 HydrophobicContact CD2-CG 4.43Å; A597-L645 HydrophobicContact CB-CD2 4.13Å; F640-L645 HydrophobicContact CE2-CD2 3.94Å; F640-L645 HydrophobicContact CE2-CG 4.21Å; F640-L645 HydrophobicContact CZ-CD2 3.9Å; V642-L645 HydrophobicContact CG1-CD1 3.88Å; V642-L645 HydrophobicContact CG1-CG 4.44Å; V642-L645 WeakPolarHBondContact O-CB 3.27Å; V642-L645 WeakPolarHBondContact O-CG 3.48Å; V642-L645 PolarHBondContact O-N 2.82Å; R643-L645 VanDerWaalsContact C-N 3.25Å; R643-L645 PolarHBondContact O-N 3.39Å; L645-R647 PolarHBondContact O-N 2.81Å; L645-L648 HydrophobicContact CD2-CD1 3.99Å; L645-L648 WeakPolarHBondContact O-CB 3.1Å; L645-L648 VanDerWaalsContact O-CG 3.3Å; L645-L648 WeakPolarHBondContact O-CG 3.45Å; L645-L648 PolarHBondContact O-N 2.84Å; L645-L801 HydrophobicContact CD1-CD2 4.37Å; L645-F804 HydrophobicContact CB-CB 4.41Å; L645-F804 HydrophobicContact CB-CD2 3.78Å; L645-F804 HydrophobicContact CB-CE2 4.18Å; L645-F804 HydrophobicContact CB-CG 3.96Å; L645-F804 HydrophobicContact CD1-CD1 4.25Å; L645-F804 HydrophobicContact CD1-CE1 4.4Å; L645-F804 HydrophobicContact CD1-CG 4.47Å; L645-F804 HydrophobicContact CD2-CE2 4.37Å; L645-F804 HydrophobicContact CD2-CZ 4.4Å; L645-F804 WeakPolarHBondContact O-CD2 3.24Å
646	V	94.4	Very high	91.1	Very high	32 Å²	32	42 Å²	42	19%	0.194	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-58.6	-39.3	175.3	-178.8	0	0	0	0	110.8	N644 L648 A649 D800 T803 F804 L807	N644-V646 VanDerWaalsContact C-N 3.33Å; N644-V646 PolarHBondContact O-N 3.3Å; V646-L648 PolarHBondContact O-N 3.36Å; V646-A649 VanDerWaalsContact O-CB 3.31Å; V646-A649 WeakPolarHBondContact O-CB 3.44Å; V646-A649 PolarHBondContact O-N 3.39Å; V646-A649 VanDerWaalsContact O-N 3.16Å; V646-D800 HydrophobicContact CG2-CB 4.17Å; V646-D800 VanDerWaalsContact CG2-O 3.26Å; V646-D800 WeakPolarHBondContact CG2-O 3.31Å; V646-T803 HydrophobicContact CG1-CG2 3.81Å; V646-T803 HydrophobicContact CG2-CG2 4.27Å; V646-F804 HydrophobicContact CG2-CB 4.19Å; V646-L807 HydrophobicContact CG1-CD1 3.93Å
647	R	93.5	Very high	91.3	Very high	98 Å²	98	47.3 Å²	47.3	37%	0.37	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-74.9	-5.4	-176.6	-57.6	-178.6	62.7	-143.4	-2.7	114.3	C331 N644 L645 A649 D650	C331-R647 VanDerWaalsContact O-CZ 3.27Å; C331-R647 PolarHBondContact O-NH1 3.3Å; C331-R647 PolarHBondContact O-NH2 3.24Å; N644-R647 WeakPolarHBondContact O-CB 3.35Å; N644-R647 PolarHBondContact O-N 2.76Å; N644-R647 VanDerWaalsContact O-N 3.09Å; N644-R647 PolarHBondContact OD1-NH1 3.33Å; L645-R647 PolarHBondContact O-N 2.81Å; R647-A649 PolarHBondContact O-N 3.4Å; R647-D650 IonicContact NE-OD2 3.76Å; R647-D650 WeakPolarHBondContact O-CB 2.94Å; R647-D650 PolarHBondContact O-N 3.26Å
648	L	93.4	Very high	91.6	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.016	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-62.3	-26.5	166.3	-57	178.4	0	0	0	110.8	V330 V332 A597 V601 N644 L645 V646 D650 T651 L660 I661 L664	V330-L648 HydrophobicContact CG1-CD2 3.76Å; V332-L648 HydrophobicContact CG1-CD2 4.47Å; A597-L648 HydrophobicContact CB-CD1 4.07Å; V601-L648 HydrophobicContact CG2-CD2 4.1Å; N644-L648 PolarHBondContact O-N 2.94Å; L645-L648 HydrophobicContact CD2-CD1 3.99Å; L645-L648 WeakPolarHBondContact O-CB 3.1Å; L645-L648 VanDerWaalsContact O-CG 3.3Å; L645-L648 WeakPolarHBondContact O-CG 3.45Å; L645-L648 PolarHBondContact O-N 2.84Å; V646-L648 PolarHBondContact O-N 3.36Å; L648-D650 VanDerWaalsContact C-N 3.26Å; L648-D650 PolarHBondContact O-N 3.2Å; L648-T651 PolarHBondContact O-N 2.93Å; L648-L660 HydrophobicContact CB-CB 4.45Å; L648-L660 HydrophobicContact CD2-CD2 3.99Å; L648-L660 WeakPolarHBondContact O-CB 3.1Å; L648-I661 HydrophobicContact CB-CD1 4.32Å; L648-I661 HydrophobicContact CB-CG1 3.71Å; L648-L664 HydrophobicContact CD1-CD2 4.05Å
649	A	93.5	Very high	92	Very high	19 Å²	19	47.7 Å²	47.7	16%	0.157	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-63.1	-28.6	174.5	0	0	0	0	0	113.9	V646 R647 T651 N659 I661 L807	V646-A649 VanDerWaalsContact O-CB 3.31Å; V646-A649 WeakPolarHBondContact O-CB 3.44Å; V646-A649 PolarHBondContact O-N 3.39Å; V646-A649 VanDerWaalsContact O-N 3.16Å; R647-A649 PolarHBondContact O-N 3.4Å; A649-T651 VanDerWaalsContact C-N 3.25Å; A649-T651 PolarHBondContact O-N 3.29Å; A649-N659 WeakPolarHBondContact CA-ND2 3.48Å; A649-N659 WeakPolarHBondContact O-CB 3.36Å; A649-N659 PolarHBondContact O-ND2 3.33Å; A649-I661 HydrophobicContact CB-CD1 3.84Å; A649-L807 HydrophobicContact CB-CD1 4.17Å; A649-L807 HydrophobicContact CB-CD2 4.46Å
650	D	93.3	Very high	92.2	Very high	107 Å²	107	47.7 Å²	47.7	57%	0.572	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-65.2	-30.7	-179.9	-56.4	-15.5	0	0	0	111.6	R647 L648 R652	R647-D650 IonicContact NE-OD2 3.76Å; R647-D650 WeakPolarHBondContact O-CB 2.94Å; R647-D650 PolarHBondContact O-N 3.26Å; L648-D650 VanDerWaalsContact C-N 3.26Å; L648-D650 PolarHBondContact O-N 3.2Å; D650-R652 PolarHBondContact O-N 2.75Å
651	T	92.2	Very high	92.4	Very high	13 Å²	13	47.8 Å²	47.8	8%	0.08	23%	0.228	C	C	.	.			trans	-88	91.4	-172.7	-52.4	0	0	0	0	110.2	V330 F367 L604 L648 A649 N659 L660	V330-T651 HydrophobicContact CG2-CG2 4.35Å; F367-T651 HydrophobicContact CD1-CG2 3.97Å; F367-T651 HydrophobicContact CE1-CG2 3.74Å; F367-T651 WeakPolarHBondContact CE1-O 3.25Å; L604-T651 HydrophobicContact CD1-CG2 4.45Å; L648-T651 PolarHBondContact O-N 2.93Å; A649-T651 VanDerWaalsContact C-N 3.25Å; A649-T651 PolarHBondContact O-N 3.29Å; T651-N659 CarbonylContact O-C 3.46Å; T651-N659 WeakPolarHBondContact O-CA 3.19Å; T651-L660 PolarHBondContact O-N 3.41Å
652	R	92.4	Very high	92.5	Very high	117 Å²	117	45.7 Å²	45.7	44%	0.442	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-87.3	150.6	176.2	-64.8	-177.2	178.2	-127.6	5.5	113.4	K328 D650 N656 R658 N659	K328-R652 WeakPolarHBondContact CD-O 3.42Å; K328-R652 PolarHBondContact NZ-O 3.48Å; D650-R652 PolarHBondContact O-N 2.75Å; R652-N656 WeakPolarHBondContact CD-OD1 3.29Å; R652-N656 PolarHBondContact NH1-O 2.93Å; R652-R658 WeakPolarHBondContact CA-O 3.36Å; R652-N659 HydrophobicContact CG-CB 4.1Å
653	D	91.3	Very high	92.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.			trans	-71.6	-170.9	178.3	92.8	-44	0	0	0	112.9	K328 R366 F367 T655 N656 R658 Y663	K328-D653 PolarHBondContact NZ-O 3.25Å; R366-D653 HydrophobicContact CB-CB 4.5Å; R366-D653 WeakPolarHBondContact CD-OD2 3.46Å; R366-D653 IonicContact CZ-OD2 3.27Å; R366-D653 IonicContact NH1-OD2 3.67Å; R366-D653 PolarHBondContact NH1-OD2 2.86Å; R366-D653 CarbonylContact O-C 3.59Å; R366-D653 WeakPolarHBondContact O-CA 3.49Å; R366-D653 WeakPolarHBondContact O-CB 3.45Å; F367-D653 HydrophobicContact CE1-CB 4.3Å; F367-D653 HydrophobicContact CE2-CB 4.31Å; F367-D653 HydrophobicContact CZ-CB 4.09Å; D653-T655 VanDerWaalsContact CG-N 3.34Å; D653-T655 PolarHBondContact OD1-N 2.83Å; D653-T655 PolarHBondContact OD1-OG1 3.36Å; D653-T655 PolarHBondContact OD2-N 3.5Å; D653-T655 PolarHBondContact OD2-OG1 3.4Å; D653-N656 PolarHBondContact OD1-N 2.86Å; D653-R658 PolarHBondContact N-O 3.3Å; D653-Y663 HydrophobicContact CB-CE2 4.16Å
654	I	90.2	Very high	92.6	Very high	75 Å²	75	42.2 Å²	42.2	39%	0.385	21%	0.205	S	C	.	.	S	Bend	trans	-74.9	-22.2	176.7	57	172.3	0	0	0	114.7	K365 R366 R368 N656	K365-I654 WeakPolarHBondContact O-CD1 3.43Å; R366-I654 WeakPolarHBondContact O-CG1 3.49Å; R366-I654 WeakPolarHBondContact O-CG2 3.21Å; R366-I654 PolarHBondContact O-N 3.42Å; R368-I654 HydrophobicContact CG-CG2 4.07Å; R368-I654 WeakPolarHBondContact O-CG2 3.38Å; I654-N656 VanDerWaalsContact C-N 3.33Å
655	T	88.8	Confident	92.5	Very high	63 Å²	63	42 Å²	42	39%	0.387	20%	0.204	S	C	.	.	S	Bend	trans	-86	-10.7	173.9	75.4	0	0	0	0	112.3	D653 Q657	D653-T655 VanDerWaalsContact CG-N 3.34Å; D653-T655 PolarHBondContact OD1-N 2.83Å; D653-T655 PolarHBondContact OD1-OG1 3.36Å; D653-T655 PolarHBondContact OD2-N 3.5Å; D653-T655 PolarHBondContact OD2-OG1 3.4Å; T655-Q657 VanDerWaalsContact CB-OE1 3.28Å; T655-Q657 PolarHBondContact O-N 3.11Å; T655-Q657 VanDerWaalsContact O-N 3.13Å; T655-Q657 WeakPolarHBondContact OG1-CB 3.03Å; T655-Q657 PolarHBondContact OG1-OE1 3.42Å
656	N	88.1	Confident	92.4	Very high	94 Å²	94	44.2 Å²	44.2	50%	0.503	21%	0.214	S	C	.	.	S	Bend	trans	67.1	0.4	-178.3	-158.8	47.7	0	0	0	114.4	R652 D653 I654	R652-N656 WeakPolarHBondContact CD-OD1 3.29Å; R652-N656 PolarHBondContact NH1-O 2.93Å; D653-N656 PolarHBondContact OD1-N 2.86Å; I654-N656 VanDerWaalsContact C-N 3.33Å
657	Q	88.4	Confident	92.3	Very high	148 Å²	148	42.7 Å²	42.7	69%	0.692	21%	0.205	S	C	*	.	S	Bend	trans	-78.4	-42.2	179.6	-65.2	162.6	-38.3	0	0	111.1	T655	T655-Q657 VanDerWaalsContact CB-OE1 3.28Å; T655-Q657 PolarHBondContact O-N 3.11Å; T655-Q657 VanDerWaalsContact O-N 3.13Å; T655-Q657 WeakPolarHBondContact OG1-CB 3.03Å; T655-Q657 PolarHBondContact OG1-OE1 3.42Å
658	R	92.3	Very high	92.2	Very high	54 Å²	54	38 Å²	38	20%	0.204	19%	0.187	C	C	.	.			trans	-112.2	142.1	-175	-70	-176	54.3	-169.8	-16.8	111.5	R652 D653 H662 Y663 E666	R652-R658 WeakPolarHBondContact CA-O 3.36Å; D653-R658 PolarHBondContact N-O 3.3Å; R658-H662 HydrophobicContact CB-CB 4.29Å; R658-H662 HydrophobicContact CG-CB 4.44Å; R658-H662 PolarHBondContact NH2-O 3.26Å; R658-Y663 HydrophobicContact CB-CE2 4.13Å; R658-E666 IonicContact CZ-OE1 3.82Å; R658-E666 VanDerWaalsContact CZ-OE1 3.26Å; R658-E666 IonicContact CZ-OE2 3.4Å; R658-E666 IonicContact NH1-OE1 3.87Å; R658-E666 PolarHBondContact NH1-OE1 2.82Å; R658-E666 IonicContact NH1-OE2 2.71Å; R658-E666 IonicContact NH2-OE1 2.96Å; R658-E666 PolarHBondContact NH2-OE1 2.95Å; R658-E666 IonicContact NH2-OE2 2.83Å; R658-E666 PolarHBondContact NH2-OE2 3.46Å
659	N	93.8	Very high	92	Very high	22 Å²	22	42.6 Å²	42.6	12%	0.118	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-107	171.5	173.2	71.8	21.5	0	0	0	111.6	A649 T651 R652 I661 H662 Y663	A649-N659 WeakPolarHBondContact CA-ND2 3.48Å; A649-N659 WeakPolarHBondContact O-CB 3.36Å; A649-N659 PolarHBondContact O-ND2 3.33Å; T651-N659 CarbonylContact O-C 3.46Å; T651-N659 WeakPolarHBondContact O-CA 3.19Å; R652-N659 HydrophobicContact CG-CB 4.1Å; N659-I661 PolarHBondContact O-N 2.93Å; N659-I661 VanDerWaalsContact O-N 3.14Å; N659-I661 WeakPolarHBondContact OD1-CB 3.34Å; N659-I661 PolarHBondContact OD1-N 2.78Å; N659-I661 VanDerWaalsContact OD1-N 3.09Å; N659-H662 PolarHBondContact N-ND1 2.79Å; N659-H662 WeakPolarHBondContact O-CB 3.34Å; N659-H662 PolarHBondContact O-N 3.4Å; N659-H662 PolarHBondContact OD1-CE1 2.62Å; N659-H662 PolarHBondContact OD1-N 2.85Å; N659-H662 PolarHBondContact OD1-ND1 3.37Å; N659-Y663 WeakPolarHBondContact O-CD2 3.45Å
660	L	94.3	Very high	91.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-25.5	-176.5	-167.7	56.7	0	0	0	113.6	V330 F367 L600 L604 L648 T651 H662 Y663 L664	V330-L660 HydrophobicContact CB-CD2 4.33Å; V330-L660 HydrophobicContact CG1-CD2 3.75Å; V330-L660 HydrophobicContact CG2-CD2 3.54Å; F367-L660 HydrophobicContact CE2-CD1 4.41Å; F367-L660 HydrophobicContact CZ-CD1 4.14Å; L600-L660 HydrophobicContact CB-CD1 4.18Å; L600-L660 HydrophobicContact CD1-CD1 4.17Å; L600-L660 HydrophobicContact CD2-CD1 4.37Å; L600-L660 HydrophobicContact CG-CD1 4.49Å; L604-L660 HydrophobicContact CD1-CD1 3.57Å; L604-L660 HydrophobicContact CD1-CD2 3.93Å; L604-L660 HydrophobicContact CD1-CG 4.39Å; L648-L660 HydrophobicContact CB-CB 4.45Å; L648-L660 HydrophobicContact CD2-CD2 3.99Å; L648-L660 WeakPolarHBondContact O-CB 3.1Å; T651-L660 PolarHBondContact O-N 3.41Å; L660-H662 VanDerWaalsContact C-N 3.32Å; L660-H662 PolarHBondContact O-N 3.17Å; L660-Y663 PolarHBondContact O-N 3.2Å; L660-L664 PolarHBondContact O-N 2.76Å
661	I	94.7	Very high	91.5	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-34.7	173.9	-57.3	-179.9	0	0	0	111	L648 A649 N659 Y663 L664 V665 F804 L807 Y808 A811	L648-I661 HydrophobicContact CB-CD1 4.32Å; L648-I661 HydrophobicContact CB-CG1 3.71Å; A649-I661 HydrophobicContact CB-CD1 3.84Å; N659-I661 PolarHBondContact O-N 2.93Å; N659-I661 VanDerWaalsContact O-N 3.14Å; N659-I661 WeakPolarHBondContact OD1-CB 3.34Å; N659-I661 PolarHBondContact OD1-N 2.78Å; N659-I661 VanDerWaalsContact OD1-N 3.09Å; I661-Y663 VanDerWaalsContact C-N 3.27Å; I661-Y663 PolarHBondContact O-N 2.94Å; I661-L664 WeakPolarHBondContact O-CB 3.31Å; I661-L664 PolarHBondContact O-N 3.02Å; I661-L664 VanDerWaalsContact O-N 3.17Å; I661-V665 HydrophobicContact CG2-CG2 4.37Å; I661-V665 VanDerWaalsContact O-CG2 3.24Å; I661-V665 WeakPolarHBondContact O-CG2 3.32Å; I661-V665 PolarHBondContact O-N 2.74Å; I661-F804 HydrophobicContact CD1-CD2 4.29Å; I661-F804 HydrophobicContact CD1-CE2 4.26Å; I661-F804 HydrophobicContact CG1-CE2 4.49Å; I661-L807 HydrophobicContact CD1-CB 3.79Å; I661-L807 HydrophobicContact CD1-CD1 4.24Å; I661-Y808 HydrophobicContact CG2-CD2 4.41Å; I661-A811 HydrophobicContact CG2-CB 4Å
662	H	94.4	Very high	91.2	Very high	19 Å²	19	47.3 Å²	47.3	9%	0.088	23%	0.227	C	C	.	.	H	α-helix	trans	-65.9	-32.5	175.3	-60.9	67.4	0	0	0	112	R658 N659 L660 E666	R658-H662 HydrophobicContact CB-CB 4.29Å; R658-H662 HydrophobicContact CG-CB 4.44Å; R658-H662 PolarHBondContact NH2-O 3.26Å; N659-H662 PolarHBondContact N-ND1 2.79Å; N659-H662 WeakPolarHBondContact O-CB 3.34Å; N659-H662 PolarHBondContact O-N 3.4Å; N659-H662 PolarHBondContact OD1-CE1 2.62Å; N659-H662 PolarHBondContact OD1-N 2.85Å; N659-H662 PolarHBondContact OD1-ND1 3.37Å; L660-H662 VanDerWaalsContact C-N 3.32Å; L660-H662 PolarHBondContact O-N 3.17Å; H662-E666 PolarHBondContact O-N 2.91Å
663	Y	93.5	Very high	90.7	Very high	13 Å²	13	46 Å²	46	5%	0.051	23%	0.232	C	C	.	.	H	α-helix	trans	-77.5	-28.4	174.4	-66.2	-79.3	0	0	0	112.2	L363 R366 F367 D653 R658 N659 L660 I661 E666 L667	L363-Y663 HydrophobicContact CD1-CD1 4.42Å; L363-Y663 HydrophobicContact CD1-CG 4.33Å; R366-Y663 WeakPolarHBondContact CD-OH 3.39Å; F367-Y663 AromaticContact CE2-CD2 3.59Å; F367-Y663 HydrophobicContact CE2-CD2 3.59Å; F367-Y663 AromaticContact CE2-CE2 3.48Å; F367-Y663 HydrophobicContact CE2-CE2 3.48Å; F367-Y663 VanDerWaalsContact CE2-CE2 3.48Å; F367-Y663 HydrophobicContact CE2-CG 4.27Å; F367-Y663 AromaticContact CZ-CD2 3.68Å; F367-Y663 HydrophobicContact CZ-CD2 3.68Å; F367-Y663 AromaticContact CZ-CE2 3.64Å; F367-Y663 HydrophobicContact CZ-CE2 3.64Å; D653-Y663 HydrophobicContact CB-CE2 4.16Å; R658-Y663 HydrophobicContact CB-CE2 4.13Å; N659-Y663 WeakPolarHBondContact O-CD2 3.45Å; L660-Y663 PolarHBondContact O-N 3.2Å; I661-Y663 VanDerWaalsContact C-N 3.27Å; I661-Y663 PolarHBondContact O-N 2.94Å; Y663-E666 WeakPolarHBondContact CD1-OE2 3.43Å; Y663-L667 VanDerWaalsContact O-CB 3.3Å; Y663-L667 WeakPolarHBondContact O-CB 3.33Å; Y663-L667 PolarHBondContact O-N 3.24Å
664	L	93.7	Very high	90	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-43.7	169.4	178.2	56.9	0	0	0	111.4	V593 C596 A597 L600 L648 L660 I661 L667 M668 F804 Y808	V593-L664 HydrophobicContact CG1-CD2 4.37Å; C596-L664 HydrophobicContact CB-CD1 3.35Å; A597-L664 HydrophobicContact CB-CD1 4.22Å; A597-L664 HydrophobicContact CB-CD2 4.24Å; L600-L664 HydrophobicContact CD1-CB 3.82Å; L600-L664 HydrophobicContact CD1-CD1 4.22Å; L648-L664 HydrophobicContact CD1-CD2 4.05Å; L660-L664 PolarHBondContact O-N 2.76Å; I661-L664 WeakPolarHBondContact O-CB 3.31Å; I661-L664 PolarHBondContact O-N 3.02Å; I661-L664 VanDerWaalsContact O-N 3.17Å; L664-L667 PolarHBondContact O-N 2.95Å; L664-M668 HydrophobicContact CD1-CG 4.25Å; L664-M668 WeakPolarHBondContact O-CB 3.3Å; L664-M668 WeakPolarHBondContact O-CG 3.36Å; L664-M668 PolarHBondContact O-N 2.72Å; L664-F804 HydrophobicContact CD2-CE2 4.12Å; L664-F804 HydrophobicContact CD2-CZ 3.83Å; L664-Y808 HydrophobicContact CG-CE2 4.49Å
665	V	93	Very high	89.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-41.3	175.3	170.9	0	0	0	0	111.2	I661 E669 Y808 A811 C812 K815	I661-V665 HydrophobicContact CG2-CG2 4.37Å; I661-V665 VanDerWaalsContact O-CG2 3.24Å; I661-V665 WeakPolarHBondContact O-CG2 3.32Å; I661-V665 PolarHBondContact O-N 2.74Å; V665-E669 WeakPolarHBondContact O-CG 3.46Å; V665-E669 PolarHBondContact O-N 3.18Å; V665-Y808 HydrophobicContact CG2-CD1 4.34Å; V665-Y808 HydrophobicContact CG2-CD2 3.77Å; V665-Y808 HydrophobicContact CG2-CE1 4.18Å; V665-Y808 HydrophobicContact CG2-CE2 3.59Å; V665-Y808 HydrophobicContact CG2-CG 4.14Å; V665-A811 HydrophobicContact CG2-CB 4.01Å; V665-C812 HydrophobicContact CG1-CB 4.43Å; V665-K815 HydrophobicContact CG1-CD 4.36Å
666	E	91.4	Very high	88.7	Confident	49 Å²	49	56 Å²	56	23%	0.229	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-47.8	169.4	-74.7	171.5	165.1	0	0	113.3	F359 R658 H662 Y663 M668 E669 L670	F359-E666 HydrophobicContact CE2-CB 4.44Å; R658-E666 IonicContact CZ-OE1 3.82Å; R658-E666 VanDerWaalsContact CZ-OE1 3.26Å; R658-E666 IonicContact CZ-OE2 3.4Å; R658-E666 IonicContact NH1-OE1 3.87Å; R658-E666 PolarHBondContact NH1-OE1 2.82Å; R658-E666 IonicContact NH1-OE2 2.71Å; R658-E666 IonicContact NH2-OE1 2.96Å; R658-E666 PolarHBondContact NH2-OE1 2.95Å; R658-E666 IonicContact NH2-OE2 2.83Å; R658-E666 PolarHBondContact NH2-OE2 3.46Å; H662-E666 PolarHBondContact O-N 2.91Å; Y663-E666 WeakPolarHBondContact CD1-OE2 3.43Å; E666-M668 PolarHBondContact O-N 3.46Å; E666-E669 PolarHBondContact O-N 3.38Å; E666-E669 VanDerWaalsContact O-N 3.14Å; E666-L670 WeakPolarHBondContact O-CG 3.39Å; E666-L670 PolarHBondContact O-N 3.03Å
667	L	91.4	Very high	88.3	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-29.3	-177.6	-164.3	65.7	0	0	0	112.3	L354 L355 F359 C596 A599 L600 Y663 L664 N671	L354-L667 WeakPolarHBondContact O-CD1 3.34Å; L355-L667 HydrophobicContact CD2-CD1 3.8Å; L355-L667 HydrophobicContact CD2-CD2 3.93Å; L355-L667 HydrophobicContact CG-CD2 4.42Å; F359-L667 HydrophobicContact CD1-CD1 4.25Å; F359-L667 HydrophobicContact CD2-CD1 4.25Å; F359-L667 HydrophobicContact CE1-CD1 4.08Å; F359-L667 HydrophobicContact CE2-CD1 4.07Å; F359-L667 HydrophobicContact CG-CD1 4.34Å; F359-L667 HydrophobicContact CZ-CB 4.2Å; F359-L667 HydrophobicContact CZ-CD1 3.98Å; C596-L667 HydrophobicContact CB-CD2 3.97Å; C596-L667 HydrophobicContact CB-CG 4.31Å; A599-L667 HydrophobicContact CB-CD2 4.44Å; L600-L667 HydrophobicContact CD1-CD2 4.22Å; L600-L667 HydrophobicContact CD2-CD2 4.02Å; L600-L667 HydrophobicContact CG-CD2 3.75Å; Y663-L667 VanDerWaalsContact O-CB 3.3Å; Y663-L667 WeakPolarHBondContact O-CB 3.33Å; Y663-L667 PolarHBondContact O-N 3.24Å; L664-L667 PolarHBondContact O-N 2.95Å; L667-N671 WeakPolarHBondContact CD1-ND2 3.2Å; L667-N671 PolarHBondContact O-N 3.21Å; L667-N671 PolarHBondContact O-ND2 3.42Å
668	M	91.6	Very high	88.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.6	-46	172	-73.3	-102.4	54.4	0	0	112.5	H592 V593 C596 L664 E666 L670 F672 Y808	H592-M668 HydrophobicContact CB-CE 3.66Å; V593-M668 HydrophobicContact CB-SD 4.12Å; V593-M668 HydrophobicContact CG2-SD 3.43Å; V593-M668 WeakPolarHBondContact CG2-SD 3.42Å; C596-M668 HydrophobicContact CB-CG 4.4Å; L664-M668 HydrophobicContact CD1-CG 4.25Å; L664-M668 WeakPolarHBondContact O-CB 3.3Å; L664-M668 WeakPolarHBondContact O-CG 3.36Å; L664-M668 PolarHBondContact O-N 2.72Å; E666-M668 PolarHBondContact O-N 3.46Å; M668-L670 VanDerWaalsContact C-N 3.32Å; M668-L670 PolarHBondContact O-N 2.88Å; M668-F672 HydrophobicContact CE-CB 4.1Å; M668-F672 HydrophobicContact CE-CD2 3.29Å; M668-F672 HydrophobicContact CE-CE2 3.88Å; M668-F672 HydrophobicContact CE-CG 3.84Å; M668-F672 PolarHBondContact O-N 3.33Å; M668-Y808 HydrophobicContact CG-CE2 4.46Å
669	E	89.4	Confident	87.8	Confident	99 Å²	99	45 Å²	45	46%	0.463	22%	0.223	S	C	.	.	H	α-helix	trans	-67.1	-30.6	177.3	-72.5	162.6	-148.9	0	0	113.5	V665 E666 H677 K815	V665-E669 WeakPolarHBondContact O-CG 3.46Å; V665-E669 PolarHBondContact O-N 3.18Å; E666-E669 PolarHBondContact O-N 3.38Å; E666-E669 VanDerWaalsContact O-N 3.14Å; E669-H677 WeakPolarHBondContact CG-ND1 3.36Å; E669-H677 IonicContact OE1-CE1 3.87Å; E669-H677 PolarHBondContact OE1-CE1 2.74Å; E669-H677 IonicContact OE1-ND1 2.71Å; E669-H677 IonicContact OE1-NE2 3.07Å; E669-K815 IonicContact OE1-NZ 2.73Å; E669-K815 PolarHBondContact OE1-NZ 2.68Å; E669-K815 IonicContact OE2-NZ 3.29Å; E669-K815 PolarHBondContact OE2-NZ 2.81Å
670	L	88.7	Confident	87.5	Confident	122 Å²	122	46.5 Å²	46.5	64%	0.639	23%	0.229	S	C	*	.	H	α-helix	trans	-77.3	-28.1	-179.1	-71.7	170.3	0	0	0	113.5	F359 E666 M668	F359-L670 HydrophobicContact CD2-CD1 3.83Å; F359-L670 HydrophobicContact CE2-CD1 3.92Å; E666-L670 WeakPolarHBondContact O-CG 3.39Å; E666-L670 PolarHBondContact O-N 3.03Å; M668-L670 VanDerWaalsContact C-N 3.32Å; M668-L670 PolarHBondContact O-N 2.88Å
671	N	87.3	Confident	87.1	Confident	62 Å²	62	51.9 Å²	51.9	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-111	-19.4	-172.6	-71.1	-76.1	0	0	0	114.5	L354 L667	L354-N671 WeakPolarHBondContact CA-OD1 3.19Å; L354-N671 HydrophobicContact CD2-CB 3.82Å; L354-N671 PolarHBondContact O-ND2 3.03Å; L354-N671 PolarHBondContact O-OD1 3.4Å; L667-N671 WeakPolarHBondContact CD1-ND2 3.2Å; L667-N671 PolarHBondContact O-N 3.21Å; L667-N671 PolarHBondContact O-ND2 3.42Å
672	F	87.2	Confident	86.9	Confident	53 Å²	53	55.1 Å²	55.1	23%	0.232	27%	0.273	C	S	.	.	S	Bend	trans	-135.4	163.8	-170.8	-60.1	-86.3	0	0	0	112.7	L354 H592 M668 A676	L354-F672 HydrophobicContact CD1-CE2 4.49Å; L354-F672 HydrophobicContact CD2-CE2 3.75Å; L354-F672 HydrophobicContact CD2-CZ 3.76Å; H592-F672 HydrophobicContact CB-CD1 4.03Å; H592-F672 HydrophobicContact CB-CD2 4.26Å; H592-F672 HydrophobicContact CB-CE1 3.82Å; H592-F672 HydrophobicContact CB-CE2 4.05Å; H592-F672 HydrophobicContact CB-CG 4.25Å; H592-F672 HydrophobicContact CB-CZ 3.82Å; H592-F672 AromaticContact CD2-CD1 3.89Å; H592-F672 AromaticContact CD2-CE1 3.25Å; H592-F672 WeakPolarHBondContact CD2-CE1 3.46Å; H592-F672 AromaticContact CD2-CZ 3.8Å; H592-F672 AromaticContact CE1-CD1 3.92Å; H592-F672 AromaticContact CE1-CE1 3.98Å; H592-F672 AromaticContact CG-CD1 3.61Å; H592-F672 AromaticContact CG-CE1 3.38Å; H592-F672 AromaticContact CG-CZ 3.87Å; H592-F672 AromaticContact ND1-CD1 3.63Å; H592-F672 AromaticContact ND1-CE1 3.84Å; H592-F672 AromaticContact NE2-CE1 3.67Å; M668-F672 HydrophobicContact CE-CB 4.1Å; M668-F672 HydrophobicContact CE-CD2 3.29Å; M668-F672 HydrophobicContact CE-CE2 3.88Å; M668-F672 HydrophobicContact CE-CG 3.84Å; M668-F672 PolarHBondContact O-N 3.33Å; F672-A676 HydrophobicContact CB-CB 3.82Å
673	T	81	Confident	86.7	Confident	89 Å²	89	54.2 Å²	54.2	55%	0.546	27%	0.269	S	S	.	.			trans	-68.4	161.8	-178.5	62.2	0	0	0	0	112.6	E675 A676 H677	T673-E675 PolarHBondContact O-N 3.29Å; T673-E675 VanDerWaalsContact O-N 3.15Å; T673-A676 PolarHBondContact O-N 2.86Å; T673-H677 PolarHBondContact O-N 3.46Å
674	K	76.7	Confident	86.7	Confident	189 Å²	189	58 Å²	58	82%	0.822	30%	0.295	S	S	*	.	H	α-helix	trans	-57.1	-28.1	176.1	-65.7	-177	178.5	180	0	113.3	H677 S678	K674-H677 WeakPolarHBondContact O-CB 3.41Å; K674-S678 PolarHBondContact O-N 2.92Å; K674-S678 PolarHBondContact O-OG 3.42Å
675	E	74.6	Confident	86.7	Confident	157 Å²	157	59.2 Å²	59.2	73%	0.734	30%	0.302	S	S	*	.	H	α-helix	trans	-66.3	-49.3	174.7	-65.5	166.5	174.8	0	0	110.7	T673 H677 S678	T673-E675 PolarHBondContact O-N 3.29Å; T673-E675 VanDerWaalsContact O-N 3.15Å; E675-H677 PolarHBondContact O-N 2.89Å; E675-S678 CarbonylContact O-C 3.49Å; E675-S678 WeakPolarHBondContact O-CA 3.36Å; E675-S678 WeakPolarHBondContact O-CB 3.39Å; E675-S678 PolarHBondContact O-N 2.71Å
676	A	77.9	Confident	86.7	Confident	4 Å²	4	59.3 Å²	59.3	3%	0.033	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-28.8	177.8	0	0	0	0	0	113.4	S589 F672 T673 S678 W679	S589-A676 WeakPolarHBondContact OG-CA 3.25Å; F672-A676 HydrophobicContact CB-CB 3.82Å; T673-A676 PolarHBondContact O-N 2.86Å; A676-S678 PolarHBondContact O-N 3.25Å; A676-W679 PolarHBondContact O-N 3.32Å
677	H	79.1	Confident	86.9	Confident	26 Å²	26	59.8 Å²	59.8	12%	0.12	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-29.1	170.4	-165.2	93.7	0	0	0	112.8	E669 T673 K674 E675 W679 Y808 C812	E669-H677 WeakPolarHBondContact CG-ND1 3.36Å; E669-H677 IonicContact OE1-CE1 3.87Å; E669-H677 PolarHBondContact OE1-CE1 2.74Å; E669-H677 IonicContact OE1-ND1 2.71Å; E669-H677 IonicContact OE1-NE2 3.07Å; T673-H677 PolarHBondContact O-N 3.46Å; K674-H677 WeakPolarHBondContact O-CB 3.41Å; E675-H677 PolarHBondContact O-N 2.89Å; H677-W679 VanDerWaalsContact C-N 3.26Å; H677-W679 PolarHBondContact O-N 3.35Å; H677-Y808 PolarHBondContact CE1-OH 3.23Å; H677-Y808 VanDerWaalsContact CE1-OH 3.22Å; H677-Y808 PolarHBondContact ND1-OH 3.33Å; H677-Y808 AromaticContact NE2-CE1 3.75Å; H677-C812 PolarHBondContact NE2-SG 3.22Å
678	S	83.8	Confident	87	Confident	38 Å²	38	61.5 Å²	61.5	27%	0.266	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	31.8	-179.6	-51.1	0	0	0	0	112.1	K674 E675 A676 F680 N681	K674-S678 PolarHBondContact O-N 2.92Å; K674-S678 PolarHBondContact O-OG 3.42Å; E675-S678 CarbonylContact O-C 3.49Å; E675-S678 WeakPolarHBondContact O-CA 3.36Å; E675-S678 WeakPolarHBondContact O-CB 3.39Å; E675-S678 PolarHBondContact O-N 2.71Å; A676-S678 PolarHBondContact O-N 3.25Å; S678-F680 PolarHBondContact O-N 3.19Å; S678-N681 WeakPolarHBondContact O-CB 3.43Å; S678-N681 PolarHBondContact O-N 3.16Å
679	W	87.1	Confident	87.2	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-46	-30.1	-176.1	65.1	-92.4	0	0	0	115.1	S589 V593 A676 H677 N681 E682 M683 F804 R805 Y808	S589-W679 VanDerWaalsContact CB-CB 3.48Å; V593-W679 HydrophobicContact CG2-CB 4.28Å; V593-W679 HydrophobicContact CG2-CD2 4.32Å; V593-W679 HydrophobicContact CG2-CG 3.84Å; A676-W679 PolarHBondContact O-N 3.32Å; H677-W679 VanDerWaalsContact C-N 3.26Å; H677-W679 PolarHBondContact O-N 3.35Å; W679-N681 PolarHBondContact O-N 3.25Å; W679-E682 WeakPolarHBondContact O-CB 3.2Å; W679-E682 PolarHBondContact O-N 3.32Å; W679-E682 VanDerWaalsContact O-N 3.1Å; W679-M683 HydrophobicContact CZ3-SD 4.33Å; W679-F804 AromaticContact CH2-CD1 3.69Å; W679-F804 HydrophobicContact CH2-CD1 3.69Å; W679-F804 AromaticContact CH2-CE1 3.97Å; W679-F804 HydrophobicContact CH2-CE1 3.97Å; W679-F804 AromaticContact CZ2-CD1 3.6Å; W679-F804 HydrophobicContact CZ2-CD1 3.6Å; W679-F804 AromaticContact CZ2-CE1 3.49Å; W679-F804 HydrophobicContact CZ2-CE1 3.49Å; W679-F804 VanDerWaalsContact CZ2-CE1 3.49Å; W679-R805 HydrophobicContact CH2-CB 3.66Å; W679-R805 HydrophobicContact CH2-CG 4.24Å; W679-R805 HydrophobicContact CZ2-CB 4.05Å; W679-R805 HydrophobicContact CZ2-CG 4.44Å; W679-Y808 AromaticContact CD1-CE1 3.91Å; W679-Y808 HydrophobicContact CZ2-CG 4.38Å; W679-Y808 AromaticContact NE1-CD1 3.43Å; W679-Y808 AromaticContact NE1-CD2 3.79Å; W679-Y808 AromaticContact NE1-CE1 3.5Å; W679-Y808 AromaticContact NE1-CE2 3.85Å; W679-Y808 AromaticContact NE1-CG 3.6Å; W679-Y808 AromaticContact NE1-CZ 3.73Å
680	F	86.2	Confident	87.5	Confident	53 Å²	53	59.5 Å²	59.5	23%	0.232	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-67.7	-17.2	178.1	50.3	-97.3	0	0	0	114.2	S678 E682 M683 R805	S678-F680 PolarHBondContact O-N 3.19Å; F680-E682 VanDerWaalsContact C-N 3.29Å; F680-M683 PolarHBondContact O-N 3.32Å; F680-R805 HydrophobicContact CB-CG 3.68Å; F680-R805 HydrophobicContact CG-CG 4.23Å
681	N	87.6	Confident	87.7	Confident	114 Å²	114	58.1 Å²	58.1	61%	0.61	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-73.2	-21.6	171.5	-66.3	-10.1	0	0	0	112.3	S678 W679 M683	S678-N681 WeakPolarHBondContact O-CB 3.43Å; S678-N681 PolarHBondContact O-N 3.16Å; W679-N681 PolarHBondContact O-N 3.25Å; N681-M683 PolarHBondContact O-N 3.22Å
682	E	89.3	Confident	88	Confident	69 Å²	69	58.4 Å²	58.4	32%	0.322	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-76.1	-7.7	172	-59.3	179.6	-179	0	0	112.3	S587 N588 S589 W679 F680 P684	S587-E682 WeakPolarHBondContact CA-OE2 3.23Å; S587-E682 WeakPolarHBondContact CB-OE2 3.46Å; S587-E682 PolarHBondContact OG-OE2 3.09Å; N588-E682 PolarHBondContact N-OE2 3.44Å; S589-E682 VanDerWaalsContact CB-OE1 3.23Å; S589-E682 WeakPolarHBondContact CB-OE1 3.37Å; S589-E682 WeakPolarHBondContact CB-OE2 3.41Å; S589-E682 PolarHBondContact N-OE2 3.03Å; S589-E682 VanDerWaalsContact N-OE2 3.14Å; S589-E682 PolarHBondContact OG-OE1 3.32Å; W679-E682 WeakPolarHBondContact O-CB 3.2Å; W679-E682 PolarHBondContact O-N 3.32Å; W679-E682 VanDerWaalsContact O-N 3.1Å; F680-E682 VanDerWaalsContact C-N 3.29Å; E682-P684 VanDerWaalsContact C-CD 3.41Å
683	M	90.8	Very high	88.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.305	C	S	.	.			trans	-127.1	54.6	-176.8	-65.6	-174.1	52.8	0	0	113.4	E583 I584 L590 W679 F680 N681 T685 L686 L801	E583-M683 HydrophobicContact CB-CG 4.24Å; E583-M683 VanDerWaalsContact OE2-C 3.29Å; E583-M683 VanDerWaalsContact OE2-CA 3.32Å; E583-M683 WeakPolarHBondContact OE2-CA 3.33Å; I584-M683 HydrophobicContact CD1-CE 3.91Å; I584-M683 HydrophobicContact CG1-CE 3.33Å; I584-M683 HydrophobicContact CG1-SD 3.98Å; L590-M683 HydrophobicContact CD2-SD 4.31Å; W679-M683 HydrophobicContact CZ3-SD 4.33Å; F680-M683 PolarHBondContact O-N 3.32Å; N681-M683 PolarHBondContact O-N 3.22Å; M683-T685 VanDerWaalsContact C-N 3.27Å; M683-T685 PolarHBondContact O-N 2.8Å; M683-L686 HydrophobicContact CB-CB 4.47Å; M683-L686 HydrophobicContact CE-CB 4.31Å; M683-L686 HydrophobicContact CE-CD1 3.9Å; M683-L686 HydrophobicContact CE-CD2 4.11Å; M683-L686 HydrophobicContact CE-CG 4.33Å; M683-L686 WeakPolarHBondContact O-CB 3.39Å; M683-L686 PolarHBondContact O-N 3.07Å; M683-L801 HydrophobicContact CE-CD1 4.16Å
684	P	92.2	Very high	88.9	Confident	93 Å²	93	54.6 Å²	54.6	60%	0.604	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.1	-176.5	28.5	-36.6	0	0	0	113.5	E583 E682 L686	E583-P684 WeakPolarHBondContact OE2-CD 3.44Å; E682-P684 VanDerWaalsContact C-CD 3.41Å; P684-L686 VanDerWaalsContact C-N 3.3Å; P684-L686 PolarHBondContact O-N 2.83Å
685	T	94	Very high	89.7	Confident	25 Å²	25	46.6 Å²	46.6	15%	0.153	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.5	-177.3	63.9	0	0	0	0	114.1	K579 C580 E583 M683 D687 A688 A689	K579-T685 HydrophobicContact CB-CG2 4.04Å; K579-T685 HydrophobicContact CD-CG2 4.43Å; C580-T685 WeakPolarHBondContact CA-OG1 3.35Å; C580-T685 WeakPolarHBondContact CB-OG1 3.28Å; C580-T685 PolarHBondContact N-OG1 3.42Å; E583-T685 WeakPolarHBondContact OE1-CG2 3.47Å; E583-T685 PolarHBondContact OE1-OG1 2.95Å; E583-T685 PolarHBondContact OE2-N 3.06Å; E583-T685 PolarHBondContact OE2-OG1 3.14Å; M683-T685 VanDerWaalsContact C-N 3.27Å; M683-T685 PolarHBondContact O-N 2.8Å; T685-D687 VanDerWaalsContact C-N 3.33Å; T685-D687 PolarHBondContact O-N 3.46Å; T685-A688 PolarHBondContact O-N 2.92Å; T685-A688 VanDerWaalsContact O-N 3.09Å; T685-A689 WeakPolarHBondContact O-CB 3.18Å; T685-A689 PolarHBondContact O-N 3Å
686	L	94.3	Very high	90.5	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-55	-41.2	-177.1	-178.7	63	0	0	0	113.7	M683 P684 Q690 F798 L801 K802	M683-L686 HydrophobicContact CB-CB 4.47Å; M683-L686 HydrophobicContact CE-CB 4.31Å; M683-L686 HydrophobicContact CE-CD1 3.9Å; M683-L686 HydrophobicContact CE-CD2 4.11Å; M683-L686 HydrophobicContact CE-CG 4.33Å; M683-L686 WeakPolarHBondContact O-CB 3.39Å; M683-L686 PolarHBondContact O-N 3.07Å; P684-L686 VanDerWaalsContact C-N 3.3Å; P684-L686 PolarHBondContact O-N 2.83Å; L686-Q690 VanDerWaalsContact O-CB 3.26Å; L686-Q690 WeakPolarHBondContact O-CB 3.03Å; L686-Q690 PolarHBondContact O-N 2.89Å; L686-F798 HydrophobicContact CD1-CB 4.13Å; L686-F798 HydrophobicContact CD1-CD1 4.38Å; L686-L801 HydrophobicContact CD1-CB 4.22Å; L686-L801 HydrophobicContact CD2-CB 4.41Å; L686-K802 HydrophobicContact CD2-CB 4.21Å; L686-K802 HydrophobicContact CG-CB 4.34Å
687	D	94.5	Very high	91.3	Very high	60 Å²	60	48.3 Å²	48.3	32%	0.321	27%	0.274	S	S	.	.	H	α-helix	trans	-70.7	-38.2	177.9	-75.6	-67	0	0	0	112.8	T685 S691 K802 R805	T685-D687 VanDerWaalsContact C-N 3.33Å; T685-D687 PolarHBondContact O-N 3.46Å; D687-S691 WeakPolarHBondContact O-CB 3.49Å; D687-S691 PolarHBondContact O-N 3.05Å; D687-K802 WeakPolarHBondContact OD1-CD 3.5Å; D687-K802 WeakPolarHBondContact OD1-CE 3.49Å; D687-K802 IonicContact OD1-NZ 2.95Å; D687-K802 PolarHBondContact OD1-NZ 3.34Å; D687-R805 IonicContact OD1-CZ 2.71Å; D687-R805 IonicContact OD1-NH2 3.87Å; D687-R805 PolarHBondContact OD1-NH2 3.12Å; D687-R805 IonicContact OD2-CZ 3.38Å; D687-R805 IonicContact OD2-NH1 2.69Å; D687-R805 PolarHBondContact OD2-NH1 3.24Å; D687-R805 IonicContact OD2-NH2 3.71Å; D687-R805 PolarHBondContact OD2-NH2 3.46Å
688	A	94.4	Very high	92	Very high	37 Å²	37	47.5 Å²	47.5	31%	0.306	27%	0.27	S	S	.	.	H	α-helix	trans	-67.7	-42.7	175.8	0	0	0	0	0	111	T685 S691 L692	T685-A688 PolarHBondContact O-N 2.92Å; T685-A688 VanDerWaalsContact O-N 3.09Å; A688-S691 PolarHBondContact O-N 3Å; A688-L692 VanDerWaalsContact O-CB 3.24Å; A688-L692 WeakPolarHBondContact O-CB 3.5Å; A688-L692 VanDerWaalsContact O-CG 3.26Å; A688-L692 WeakPolarHBondContact O-CG 3.08Å; A688-L692 PolarHBondContact O-N 2.92Å
689	A	95.2	Very high	92.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-48.8	175.4	0	0	0	0	0	111.6	C580 T685 S691 Y693 F798	C580-A689 HydrophobicContact CB-CB 3.65Å; T685-A689 WeakPolarHBondContact O-CB 3.18Å; T685-A689 PolarHBondContact O-N 3Å; A689-S691 VanDerWaalsContact C-N 3.32Å; A689-S691 PolarHBondContact O-N 3Å; A689-Y693 VanDerWaalsContact O-CB 3.28Å; A689-Y693 WeakPolarHBondContact O-CB 3.37Å; A689-Y693 PolarHBondContact O-N 3.32Å; A689-F798 HydrophobicContact CB-CD1 4.31Å; A689-F798 HydrophobicContact CB-CD2 3.88Å; A689-F798 HydrophobicContact CB-CE1 4.37Å; A689-F798 HydrophobicContact CB-CE2 3.96Å; A689-F798 HydrophobicContact CB-CG 4.09Å; A689-F798 HydrophobicContact CB-CZ 4.2Å
690	Q	94.9	Very high	92.7	Very high	57 Å²	57	54 Å²	54	27%	0.266	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-30.1	179.6	-173.7	-86	-43.5	0	0	113.5	L686 F798 N799 K802	L686-Q690 VanDerWaalsContact O-CB 3.26Å; L686-Q690 WeakPolarHBondContact O-CB 3.03Å; L686-Q690 PolarHBondContact O-N 2.89Å; Q690-F798 HydrophobicContact CB-CB 3.98Å; Q690-F798 HydrophobicContact CG-CB 4.48Å; Q690-N799 HydrophobicContact CG-CB 4.38Å; Q690-K802 HydrophobicContact CB-CD 4.17Å; Q690-K802 HydrophobicContact CG-CD 3.88Å; Q690-K802 VanDerWaalsContact OE1-CD 3.24Å
691	S	94.3	Very high	93.1	Very high	93 Å²	93	54.5 Å²	54.5	65%	0.65	30%	0.298	S	S	*	.	H	α-helix	trans	-83.8	-39	179.9	-169.5	0	0	0	0	113.3	D687 A688 A689	D687-S691 WeakPolarHBondContact O-CB 3.49Å; D687-S691 PolarHBondContact O-N 3.05Å; A688-S691 PolarHBondContact O-N 3Å; A689-S691 VanDerWaalsContact C-N 3.32Å; A689-S691 PolarHBondContact O-N 3Å
692	L	93.5	Very high	93.4	Very high	68 Å²	68	49.2 Å²	49.2	36%	0.356	27%	0.27	S	S	.	.	H	α-helix	trans	-95.4	-30.8	-172.7	-59.1	175.8	0	0	0	113.8	Q572 A573 A688	Q572-L692 HydrophobicContact CG-CD1 3.86Å; A573-L692 HydrophobicContact CB-CB 4Å; A573-L692 WeakPolarHBondContact CB-O 3.2Å; A688-L692 VanDerWaalsContact O-CB 3.24Å; A688-L692 WeakPolarHBondContact O-CB 3.5Å; A688-L692 VanDerWaalsContact O-CG 3.26Å; A688-L692 WeakPolarHBondContact O-CG 3.08Å; A688-L692 PolarHBondContact O-N 2.92Å
693	Y	94.2	Very high	93.6	Very high	12 Å²	12	48.6 Å²	48.6	5%	0.047	27%	0.271	C	S	.	.			trans	-99.1	116.1	-176	-174.9	-85.7	0	0	0	111.5	L574 A577 A689 A695 I698 F774 A794 D795 F798	L574-Y693 HydrophobicContact CD2-CD2 4.46Å; L574-Y693 HydrophobicContact CD2-CE2 4.02Å; A577-Y693 HydrophobicContact CB-CD2 3.87Å; A577-Y693 HydrophobicContact CB-CG 3.93Å; A689-Y693 VanDerWaalsContact O-CB 3.28Å; A689-Y693 WeakPolarHBondContact O-CB 3.37Å; A689-Y693 PolarHBondContact O-N 3.32Å; Y693-A695 HydrophobicContact CE1-CB 4Å; Y693-I698 HydrophobicContact CD2-CG1 3.94Å; Y693-I698 HydrophobicContact CE2-CB 4.29Å; Y693-I698 HydrophobicContact CE2-CG1 4.03Å; Y693-I698 HydrophobicContact CE2-CG2 4.25Å; Y693-F774 AromaticContact CE1-CZ 3.96Å; Y693-F774 HydrophobicContact CE1-CZ 3.96Å; Y693-F774 HydrophobicContact CE2-CD1 4.48Å; Y693-F774 AromaticContact CE2-CE1 3.91Å; Y693-F774 HydrophobicContact CE2-CE1 3.91Å; Y693-F774 HydrophobicContact CE2-CE2 4.06Å; Y693-F774 AromaticContact CE2-CZ 3.68Å; Y693-F774 HydrophobicContact CE2-CZ 3.68Å; Y693-F774 AromaticContact CZ-CE1 3.68Å; Y693-F774 AromaticContact CZ-CZ 3.37Å; Y693-F774 WeakPolarHBondContact OH-CE1 3.42Å; Y693-F774 VanDerWaalsContact OH-CZ 3.31Å; Y693-F774 WeakPolarHBondContact OH-CZ 3.48Å; Y693-A794 HydrophobicContact CE1-CB 3.98Å; Y693-D795 HydrophobicContact CD1-CB 4.04Å; Y693-D795 HydrophobicContact CE1-CB 4.33Å; Y693-D795 WeakPolarHBondContact O-CB 3.39Å; Y693-F798 HydrophobicContact CD1-CD2 4.47Å; Y693-F798 HydrophobicContact CD1-CE2 4.04Å; Y693-F798 HydrophobicContact CG-CE2 4.39Å
694	C	93.7	Very high	93.7	Very high	50 Å²	50	53.5 Å²	53.5	34%	0.338	29%	0.294	S	S	.	.			trans	-127.7	123.4	162.8	175.3	0	0	0	0	109	K696 T697 I698 D795	C694-K696 VanDerWaalsContact C-N 3.3Å; C694-K696 PolarHBondContact O-N 3.42Å; C694-T697 PolarHBondContact O-N 2.95Å; C694-T697 VanDerWaalsContact O-N 3.15Å; C694-I698 VanDerWaalsContact O-CG1 3.29Å; C694-I698 WeakPolarHBondContact O-CG1 3.43Å; C694-I698 PolarHBondContact O-N 3.21Å; C694-D795 WeakPolarHBondContact CA-OD2 3.31Å; C694-D795 PolarHBondContact SG-OD2 3.47Å
695	A	92.1	Very high	93.7	Very high	20 Å²	20	49.6 Å²	49.6	17%	0.165	27%	0.268	C	S	.	.	H	α-helix	trans	-57.9	-43.2	-168.8	0	0	0	0	0	111.9	Y693 E699 D795	Y693-A695 HydrophobicContact CE1-CB 4Å; A695-E699 WeakPolarHBondContact O-CG 3.47Å; A695-E699 PolarHBondContact O-N 3.4Å; A695-D795 PolarHBondContact N-OD2 2.9Å
696	K	92	Very high	93.7	Very high	132 Å²	132	51.6 Å²	51.6	57%	0.574	28%	0.275	S	S	*	.	H	α-helix	trans	-61.4	-51.4	177.6	-175.9	-178.2	-178.8	-79.3	0	112	C694 E699 E700	C694-K696 VanDerWaalsContact C-N 3.3Å; C694-K696 PolarHBondContact O-N 3.42Å; K696-E699 PolarHBondContact O-N 3.49Å; K696-E700 WeakPolarHBondContact CE-OE1 3.41Å; K696-E700 HydrophobicContact CG-CG 4.49Å; K696-E700 IonicContact NZ-OE1 2.74Å; K696-E700 PolarHBondContact NZ-OE1 3.36Å; K696-E700 IonicContact NZ-OE2 3.98Å; K696-E700 PolarHBondContact NZ-OE2 2.96Å; K696-E700 WeakPolarHBondContact O-CB 3.44Å; K696-E700 WeakPolarHBondContact O-CG 3.45Å; K696-E700 PolarHBondContact O-N 2.83Å
697	T	93.7	Very high	93.7	Very high	66 Å²	66	55.1 Å²	55.1	41%	0.405	29%	0.288	S	S	.	.	H	α-helix	trans	-67.5	-37.6	-174.4	-50.6	0	0	0	0	112.2	C694 K701	C694-T697 PolarHBondContact O-N 2.95Å; C694-T697 VanDerWaalsContact O-N 3.15Å; T697-K701 WeakPolarHBondContact O-CB 3.44Å; T697-K701 PolarHBondContact O-N 2.93Å
698	I	93.6	Very high	93.7	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.046	28%	0.279	C	S	.	.	H	α-helix	trans	-67.5	-45.2	177.9	-63.1	-63	0	0	0	110.7	L570 A573 L574 Y693 C694 L702	L570-I698 HydrophobicContact CD2-CD1 3.69Å; L570-I698 HydrophobicContact CD2-CG2 4.24Å; A573-I698 HydrophobicContact CB-CD1 3.61Å; L574-I698 HydrophobicContact CD2-CG2 4.15Å; L574-I698 HydrophobicContact CG-CG2 4.38Å; Y693-I698 HydrophobicContact CD2-CG1 3.94Å; Y693-I698 HydrophobicContact CE2-CB 4.29Å; Y693-I698 HydrophobicContact CE2-CG1 4.03Å; Y693-I698 HydrophobicContact CE2-CG2 4.25Å; C694-I698 VanDerWaalsContact O-CG1 3.29Å; C694-I698 WeakPolarHBondContact O-CG1 3.43Å; C694-I698 PolarHBondContact O-N 3.21Å; I698-L702 WeakPolarHBondContact O-CB 3.44Å; I698-L702 PolarHBondContact O-N 3.29Å
699	E	92.3	Very high	93.7	Very high	76 Å²	76	51.9 Å²	51.9	36%	0.355	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-44.6	174.8	-68.4	-62.7	158	0	0	112.3	A695 K696 L702 V703 H771	A695-E699 WeakPolarHBondContact O-CG 3.47Å; A695-E699 PolarHBondContact O-N 3.4Å; K696-E699 PolarHBondContact O-N 3.49Å; E699-L702 PolarHBondContact O-N 3.06Å; E699-V703 VanDerWaalsContact O-CG2 3.32Å; E699-V703 WeakPolarHBondContact O-CG2 3.4Å; E699-V703 PolarHBondContact O-N 3.44Å; E699-H771 IonicContact OE1-CD2 2.65Å; E699-H771 IonicContact OE1-CE1 2.88Å; E699-H771 PolarHBondContact OE1-CE1 2.96Å; E699-H771 IonicContact OE1-NE2 2.61Å; E699-H771 PolarHBondContact OE1-NE2 2.99Å; E699-H771 IonicContact OE2-NE2 2.71Å
700	E	94.5	Very high	93.6	Very high	98 Å²	98	53.1 Å²	53.1	46%	0.458	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-49.3	178.9	-76.2	175.7	156.7	0	0	111.4	K696 V703 E704	K696-E700 WeakPolarHBondContact CE-OE1 3.41Å; K696-E700 HydrophobicContact CG-CG 4.49Å; K696-E700 IonicContact NZ-OE1 2.74Å; K696-E700 PolarHBondContact NZ-OE1 3.36Å; K696-E700 IonicContact NZ-OE2 3.98Å; K696-E700 PolarHBondContact NZ-OE2 2.96Å; K696-E700 WeakPolarHBondContact O-CB 3.44Å; K696-E700 WeakPolarHBondContact O-CG 3.45Å; K696-E700 PolarHBondContact O-N 2.83Å; E700-V703 PolarHBondContact O-N 3.28Å; E700-E704 WeakPolarHBondContact O-CB 3.13Å; E700-E704 PolarHBondContact O-N 3.02Å
701	K	93.8	Very high	93.5	Very high	63 Å²	63	54.8 Å²	54.8	27%	0.274	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-42.2	175	-81.5	-169.5	170.1	-168.6	0	113.2	L570 T697 V703 E704 T705	L570-K701 HydrophobicContact CD1-CB 4.21Å; L570-K701 HydrophobicContact CD2-CB 3.85Å; L570-K701 HydrophobicContact CD2-CD 4.15Å; T697-K701 WeakPolarHBondContact O-CB 3.44Å; T697-K701 PolarHBondContact O-N 2.93Å; K701-V703 VanDerWaalsContact C-N 3.33Å; K701-V703 PolarHBondContact O-N 2.85Å; K701-E704 PolarHBondContact O-N 2.87Å; K701-T705 WeakPolarHBondContact O-CB 3.48Å; K701-T705 PolarHBondContact O-N 3.29Å; K701-T705 PolarHBondContact O-OG1 3.49Å
702	L	93.5	Very high	93.4	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-40.2	-179.1	179.5	61.9	0	0	0	111.3	I698 E699 K706 L767 H771	I698-L702 WeakPolarHBondContact O-CB 3.44Å; I698-L702 PolarHBondContact O-N 3.29Å; E699-L702 PolarHBondContact O-N 3.06Å; L702-K706 HydrophobicContact CD1-CD 4.39Å; L702-K706 HydrophobicContact CG-CD 4.29Å; L702-K706 WeakPolarHBondContact O-CB 3.43Å; L702-K706 WeakPolarHBondContact O-CD 3.39Å; L702-K706 WeakPolarHBondContact O-CG 3.12Å; L702-K706 PolarHBondContact O-N 2.91Å; L702-K706 VanDerWaalsContact O-N 3.16Å; L702-L767 HydrophobicContact CD1-CD2 3.67Å; L702-L767 HydrophobicContact CD1-CG 3.82Å; L702-H771 HydrophobicContact CD2-CB 4.19Å
703	V	94.1	Very high	93.3	Very high	56 Å²	56	48.2 Å²	48.2	34%	0.339	24%	0.237	S	C	.	.	H	α-helix	trans	-75.3	-34	176.5	-177.7	0	0	0	0	111.3	E699 E700 K701 K706 R707	E699-V703 VanDerWaalsContact O-CG2 3.32Å; E699-V703 WeakPolarHBondContact O-CG2 3.4Å; E699-V703 PolarHBondContact O-N 3.44Å; E700-V703 PolarHBondContact O-N 3.28Å; K701-V703 VanDerWaalsContact C-N 3.33Å; K701-V703 PolarHBondContact O-N 2.85Å; V703-K706 PolarHBondContact O-N 3.25Å; V703-R707 VanDerWaalsContact CG1-CZ 3.48Å; V703-R707 WeakPolarHBondContact O-CD 3.38Å; V703-R707 VanDerWaalsContact O-CG 3.24Å; V703-R707 WeakPolarHBondContact O-CG 3.42Å; V703-R707 PolarHBondContact O-N 2.91Å
704	E	93	Very high	93.1	Very high	105 Å²	105	51.6 Å²	51.6	49%	0.491	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-50.9	172	-174.2	159.4	-139.9	0	0	112.2	E700 K701 K706 R707 D708	E700-E704 WeakPolarHBondContact O-CB 3.13Å; E700-E704 PolarHBondContact O-N 3.02Å; K701-E704 PolarHBondContact O-N 2.87Å; E704-K706 VanDerWaalsContact C-N 3.27Å; E704-K706 PolarHBondContact O-N 3.27Å; E704-R707 WeakPolarHBondContact O-CB 3.45Å; E704-R707 PolarHBondContact O-N 2.89Å; E704-D708 PolarHBondContact O-N 3.43Å
705	T	93.2	Very high	92.9	Very high	11 Å²	11	51 Å²	51	7%	0.067	25%	0.249	C	C	.	.	H	α-helix	trans	-56.1	-41.2	175.2	-51.4	0	0	0	0	111.5	F563 K701 R707 D708 V709	F563-T705 HydrophobicContact CD2-CG2 4.02Å; F563-T705 HydrophobicContact CE2-CG2 3.61Å; K701-T705 WeakPolarHBondContact O-CB 3.48Å; K701-T705 PolarHBondContact O-N 3.29Å; K701-T705 PolarHBondContact O-OG1 3.49Å; T705-R707 PolarHBondContact O-N 2.98Å; T705-D708 PolarHBondContact O-N 3.45Å; T705-V709 WeakPolarHBondContact O-CG2 3.38Å; T705-V709 PolarHBondContact O-N 2.72Å
706	K	94.1	Very high	92.6	Very high	67 Å²	67	50 Å²	50	29%	0.291	24%	0.241	S	C	.	.	H	α-helix	trans	-63.1	-38.6	175.4	-75.7	170.3	178.8	174.6	0	112.9	L702 V703 E704 A710 L764 S768	L702-K706 HydrophobicContact CD1-CD 4.39Å; L702-K706 HydrophobicContact CG-CD 4.29Å; L702-K706 WeakPolarHBondContact O-CB 3.43Å; L702-K706 WeakPolarHBondContact O-CD 3.39Å; L702-K706 WeakPolarHBondContact O-CG 3.12Å; L702-K706 PolarHBondContact O-N 2.91Å; L702-K706 VanDerWaalsContact O-N 3.16Å; V703-K706 PolarHBondContact O-N 3.25Å; E704-K706 VanDerWaalsContact C-N 3.27Å; E704-K706 PolarHBondContact O-N 3.27Å; K706-A710 WeakPolarHBondContact O-CB 3.49Å; K706-A710 PolarHBondContact O-N 3.16Å; K706-L764 HydrophobicContact CD-CD1 4.4Å; K706-L764 HydrophobicContact CG-CD1 3.62Å; K706-L764 HydrophobicContact CG-CD2 4.09Å; K706-L764 HydrophobicContact CG-CG 4.28Å; K706-S768 VanDerWaalsContact CE-OG 3.31Å; K706-S768 WeakPolarHBondContact CE-OG 3.39Å; K706-S768 PolarHBondContact NZ-OG 3Å
707	R	94.1	Very high	92.2	Very high	75 Å²	75	48.6 Å²	48.6	28%	0.283	23%	0.232	S	C	.	.	H	α-helix	trans	-69.9	-44.3	175.8	-68.5	160.3	177	144.3	-0.5	111.4	Y150 V703 E704 T705 A710 R711	Y150-R707 HydrophobicContact CE1-CG 4.07Å; Y150-R707 VanDerWaalsContact CE1-NE 3.34Å; Y150-R707 VanDerWaalsContact OH-CD 3.3Å; Y150-R707 WeakPolarHBondContact OH-CD 3.41Å; Y150-R707 WeakPolarHBondContact OH-CG 3.04Å; V703-R707 VanDerWaalsContact CG1-CZ 3.48Å; V703-R707 WeakPolarHBondContact O-CD 3.38Å; V703-R707 VanDerWaalsContact O-CG 3.24Å; V703-R707 WeakPolarHBondContact O-CG 3.42Å; V703-R707 PolarHBondContact O-N 2.91Å; E704-R707 WeakPolarHBondContact O-CB 3.45Å; E704-R707 PolarHBondContact O-N 2.89Å; T705-R707 PolarHBondContact O-N 2.98Å; R707-A710 PolarHBondContact O-N 2.96Å; R707-R711 WeakPolarHBondContact O-CB 3.37Å; R707-R711 PolarHBondContact O-N 2.89Å
708	D	94.6	Very high	91.6	Very high	24 Å²	24	47.3 Å²	47.3	13%	0.128	23%	0.231	C	C	.	.	H	α-helix	trans	-69.3	-41.5	-175.6	-90.7	0.3	0	0	0	112.1	H555 R558 M559 E704 T705 A710 R711 L712	H555-D708 IonicContact CD2-OD1 3.1Å; H555-D708 IonicContact CD2-OD2 3.36Å; H555-D708 IonicContact CE1-OD1 2.65Å; H555-D708 IonicContact NE2-OD1 3.1Å; H555-D708 PolarHBondContact NE2-OD1 3.01Å; H555-D708 IonicContact NE2-OD2 3.75Å; H555-D708 PolarHBondContact NE2-OD2 3.13Å; R558-D708 IonicContact NH2-OD2 3.94Å; R558-D708 PolarHBondContact NH2-OD2 3.35Å; M559-D708 HydrophobicContact CE-CB 3.95Å; M559-D708 HydrophobicContact CG-CB 4.5Å; M559-D708 HydrophobicContact SD-CB 3.66Å; E704-D708 PolarHBondContact O-N 3.43Å; T705-D708 PolarHBondContact O-N 3.45Å; D708-A710 PolarHBondContact O-N 2.91Å; D708-R711 WeakPolarHBondContact O-CB 3.33Å; D708-R711 PolarHBondContact O-N 3.45Å; D708-R711 VanDerWaalsContact O-N 3.16Å; D708-L712 WeakPolarHBondContact O-CG 3.37Å; D708-L712 PolarHBondContact O-N 3Å
709	V	93.9	Very high	90.8	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.024	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-43.5	171.5	173.9	0	0	0	0	111.3	M559 F563 T705 R711 L712 E713 L757 A760 M761 L764	M559-V709 HydrophobicContact CE-CG2 3.87Å; F563-V709 HydrophobicContact CD2-CG2 4.43Å; F563-V709 HydrophobicContact CE2-CG2 3.8Å; T705-V709 WeakPolarHBondContact O-CG2 3.38Å; T705-V709 PolarHBondContact O-N 2.72Å; V709-R711 VanDerWaalsContact C-N 3.27Å; V709-R711 PolarHBondContact O-N 3.13Å; V709-L712 PolarHBondContact O-N 2.7Å; V709-E713 PolarHBondContact O-N 3.16Å; V709-L757 HydrophobicContact CG1-CD1 3.79Å; V709-A760 HydrophobicContact CG1-CB 4.44Å; V709-A760 HydrophobicContact CG2-CB 4.09Å; V709-M761 HydrophobicContact CG1-CG 4.31Å; V709-L764 HydrophobicContact CB-CD2 4.33Å; V709-L764 HydrophobicContact CG1-CD2 4.28Å
710	A	93.1	Very high	89.5	Confident	27 Å²	27	44.8 Å²	44.8	22%	0.223	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-27.4	176.1	0	0	0	0	0	113.1	K706 R707 D708 E713 I714	K706-A710 WeakPolarHBondContact O-CB 3.49Å; K706-A710 PolarHBondContact O-N 3.16Å; R707-A710 PolarHBondContact O-N 2.96Å; D708-A710 PolarHBondContact O-N 2.91Å; A710-E713 WeakPolarHBondContact O-CB 3.46Å; A710-I714 WeakPolarHBondContact O-CD1 3.49Å; A710-I714 VanDerWaalsContact O-CG1 3.31Å; A710-I714 WeakPolarHBondContact O-CG1 3.48Å; A710-I714 PolarHBondContact O-N 3.24Å
711	R	93.1	Very high	87.9	Confident	92 Å²	92	40.2 Å²	40.2	35%	0.347	21%	0.206	S	C	.	.	H	α-helix	trans	-70.7	-46	172.1	174	175.4	169.1	-166.5	-3.2	111.5	P551 H555 R707 D708 V709 E713 I714 D715	P551-R711 PolarHBondContact O-NH2 3.5Å; H555-R711 PolarHBondContact CD2-NH1 2.9Å; H555-R711 VanDerWaalsContact CG-CZ 3.42Å; R707-R711 WeakPolarHBondContact O-CB 3.37Å; R707-R711 PolarHBondContact O-N 2.89Å; D708-R711 WeakPolarHBondContact O-CB 3.33Å; D708-R711 PolarHBondContact O-N 3.45Å; D708-R711 VanDerWaalsContact O-N 3.16Å; V709-R711 VanDerWaalsContact C-N 3.27Å; V709-R711 PolarHBondContact O-N 3.13Å; R711-E713 VanDerWaalsContact C-N 3.27Å; R711-E713 PolarHBondContact O-N 3.26Å; R711-I714 CarbonylContact O-C 3.56Å; R711-I714 WeakPolarHBondContact O-CA 3.47Å; R711-I714 WeakPolarHBondContact O-CB 3.2Å; R711-I714 PolarHBondContact O-N 2.93Å; R711-D715 IonicContact NE-OD2 2.68Å; R711-D715 PolarHBondContact NE-OD2 3.07Å; R711-D715 PolarHBondContact O-N 2.9Å
712	L	92.1	Very high	86	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-57.9	-41.5	174.6	-64.3	179.5	0	0	0	111.6	A556 M559 D708 V709 I714 D715 L716 V753 F756	A556-L712 HydrophobicContact CB-CD2 3.87Å; M559-L712 HydrophobicContact CB-CD1 3.86Å; M559-L712 HydrophobicContact CE-CD1 4.14Å; M559-L712 HydrophobicContact CG-CD1 3.93Å; M559-L712 HydrophobicContact CG-CG 4.43Å; D708-L712 WeakPolarHBondContact O-CG 3.37Å; D708-L712 PolarHBondContact O-N 3Å; V709-L712 PolarHBondContact O-N 2.7Å; L712-I714 PolarHBondContact O-N 2.81Å; L712-D715 PolarHBondContact O-N 2.77Å; L712-L716 WeakPolarHBondContact O-CB 3.32Å; L712-L716 PolarHBondContact O-N 3.32Å; L712-V753 HydrophobicContact CB-CG1 4.05Å; L712-V753 HydrophobicContact CD2-CG1 4.41Å; L712-F756 HydrophobicContact CD1-CD1 3.95Å; L712-F756 HydrophobicContact CD1-CE1 3.58Å
713	E	90.2	Very high	84.2	Confident	22 Å²	22	41.9 Å²	41.9	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-34.1	173.6	-160.6	-156.6	114.8	0	0	112.2	R161 V709 A710 R711 R717 L757	R161-E713 IonicContact CZ-OE1 3.82Å; R161-E713 IonicContact CZ-OE2 2.92Å; R161-E713 IonicContact NH1-OE2 3.75Å; R161-E713 PolarHBondContact NH1-OE2 3.32Å; R161-E713 IonicContact NH2-OE1 2.83Å; R161-E713 PolarHBondContact NH2-OE1 3.02Å; R161-E713 IonicContact NH2-OE2 2.71Å; R161-E713 PolarHBondContact NH2-OE2 3.06Å; V709-E713 PolarHBondContact O-N 3.16Å; A710-E713 WeakPolarHBondContact O-CB 3.46Å; R711-E713 VanDerWaalsContact C-N 3.27Å; R711-E713 PolarHBondContact O-N 3.26Å; E713-R717 VanDerWaalsContact CD-NH2 3.32Å; E713-R717 VanDerWaalsContact CG-NH2 3.31Å; E713-R717 PolarHBondContact O-N 3.09Å; E713-R717 PolarHBondContact O-NE 3.48Å; E713-R717 PolarHBondContact O-NH2 2.99Å; E713-R717 IonicContact OE1-CZ 3.93Å; E713-R717 IonicContact OE1-NH1 3.67Å; E713-R717 PolarHBondContact OE1-NH1 3.43Å; E713-R717 IonicContact OE1-NH2 2.67Å; E713-R717 PolarHBondContact OE1-NH2 2.95Å; E713-L757 HydrophobicContact CB-CD1 4.33Å; E713-L757 HydrophobicContact CB-CD2 4.15Å; E713-L757 HydrophobicContact CG-CD2 4.11Å
714	I	90	Very high	82.2	Confident	83 Å²	83	41.1 Å²	41.1	43%	0.426	22%	0.218	S	C	.	.	H	α-helix	trans	-78	-47.9	175.4	-67.5	163.8	0	0	0	111.2	M157 A710 R711 L712 L716 R717 G718	M157-I714 HydrophobicContact CE-CD1 3.98Å; A710-I714 WeakPolarHBondContact O-CD1 3.49Å; A710-I714 VanDerWaalsContact O-CG1 3.31Å; A710-I714 WeakPolarHBondContact O-CG1 3.48Å; A710-I714 PolarHBondContact O-N 3.24Å; R711-I714 CarbonylContact O-C 3.56Å; R711-I714 WeakPolarHBondContact O-CA 3.47Å; R711-I714 WeakPolarHBondContact O-CB 3.2Å; R711-I714 PolarHBondContact O-N 2.93Å; L712-I714 PolarHBondContact O-N 2.81Å; I714-L716 VanDerWaalsContact C-N 3.29Å; I714-L716 PolarHBondContact O-N 3.43Å; I714-R717 PolarHBondContact O-N 3.37Å; I714-G718 PolarHBondContact O-N 3.47Å
715	D	89.2	Confident	80.2	Confident	37 Å²	37	41.8 Å²	41.8	20%	0.198	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-34.7	-178.3	-75.3	-30	0	0	0	111.5	A552 R711 L712 G718 V719 F749	A552-D715 HydrophobicContact CB-CB 3.99Å; R711-D715 IonicContact NE-OD2 2.68Å; R711-D715 PolarHBondContact NE-OD2 3.07Å; R711-D715 PolarHBondContact O-N 2.9Å; L712-D715 PolarHBondContact O-N 2.77Å; D715-G718 CarbonylContact O-C 3.6Å; D715-G718 VanDerWaalsContact O-CA 3.26Å; D715-G718 WeakPolarHBondContact O-CA 3.26Å; D715-G718 PolarHBondContact O-N 2.8Å; D715-G718 VanDerWaalsContact O-N 3.09Å; D715-V719 PolarHBondContact O-N 3.34Å; D715-V719 VanDerWaalsContact O-N 3.08Å; D715-F749 HydrophobicContact CB-CE1 4.39Å; D715-F749 HydrophobicContact CB-CZ 3.99Å
716	L	87.1	Confident	78.3	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.8	-45.4	174.5	-179.8	57.1	0	0	0	113.3	L712 I714 G718 V719 G721 W730 F749 V753 L757	L712-L716 WeakPolarHBondContact O-CB 3.32Å; L712-L716 PolarHBondContact O-N 3.32Å; I714-L716 VanDerWaalsContact C-N 3.29Å; I714-L716 PolarHBondContact O-N 3.43Å; L716-G718 PolarHBondContact O-N 3.46Å; L716-V719 HydrophobicContact CD1-CG2 4.25Å; L716-V719 WeakPolarHBondContact O-CG2 3.33Å; L716-V719 PolarHBondContact O-N 3.29Å; L716-G721 PolarHBondContact O-N 2.9Å; L716-G721 VanDerWaalsContact O-N 3.15Å; L716-W730 HydrophobicContact CD1-CE3 4.3Å; L716-W730 HydrophobicContact CD2-CD2 3.59Å; L716-W730 HydrophobicContact CD2-CE3 3.67Å; L716-W730 HydrophobicContact CD2-CG 4.27Å; L716-W730 HydrophobicContact CD2-CH2 3.75Å; L716-W730 HydrophobicContact CD2-CZ2 3.66Å; L716-W730 HydrophobicContact CD2-CZ3 3.75Å; L716-W730 HydrophobicContact CG-CD2 4.13Å; L716-W730 HydrophobicContact CG-CE3 3.72Å; L716-W730 HydrophobicContact CG-CH2 4.17Å; L716-W730 HydrophobicContact CG-CZ3 3.74Å; L716-F749 HydrophobicContact CB-CE1 4.3Å; L716-F749 HydrophobicContact CD1-CD1 4.35Å; L716-V753 HydrophobicContact CB-CG1 4.47Å; L716-V753 HydrophobicContact CD2-CG1 4.42Å; L716-L757 HydrophobicContact CD2-CD2 3.76Å
717	R	83.7	Confident	76.3	Confident	102 Å²	102	49.1 Å²	49.1	39%	0.385	28%	0.276	S	S	.	.	H	α-helix	trans	-60.4	-34.9	166.9	-76.9	176.7	-68.8	-132.2	-7	111	E713 I714 V719 G720 W730	E713-R717 VanDerWaalsContact CD-NH2 3.32Å; E713-R717 VanDerWaalsContact CG-NH2 3.31Å; E713-R717 PolarHBondContact O-N 3.09Å; E713-R717 PolarHBondContact O-NE 3.48Å; E713-R717 PolarHBondContact O-NH2 2.99Å; E713-R717 IonicContact OE1-CZ 3.93Å; E713-R717 IonicContact OE1-NH1 3.67Å; E713-R717 PolarHBondContact OE1-NH1 3.43Å; E713-R717 IonicContact OE1-NH2 2.67Å; E713-R717 PolarHBondContact OE1-NH2 2.95Å; I714-R717 PolarHBondContact O-N 3.37Å; R717-V719 VanDerWaalsContact C-N 3.32Å; R717-V719 PolarHBondContact O-N 3.42Å; R717-G720 PolarHBondContact O-N 3.14Å; R717-W730 HydrophobicContact CG-CZ3 4.44Å
718	G	81.3	Confident	73.8	Confident	38 Å²	38	49.6 Å²	49.6	39%	0.392	30%	0.296	S	S	.	.	H	α-helix	trans	-59	-34.5	176.9	0	0	0	0	0	114.2	R549 I714 D715 L716 G720	R549-G718 VanDerWaalsContact CZ-O 3.23Å; R549-G718 PolarHBondContact NH1-O 3.29Å; R549-G718 PolarHBondContact NH2-O 2.87Å; I714-G718 PolarHBondContact O-N 3.47Å; D715-G718 CarbonylContact O-C 3.6Å; D715-G718 VanDerWaalsContact O-CA 3.26Å; D715-G718 WeakPolarHBondContact O-CA 3.26Å; D715-G718 PolarHBondContact O-N 2.8Å; D715-G718 VanDerWaalsContact O-N 3.09Å; L716-G718 PolarHBondContact O-N 3.46Å; G718-G720 VanDerWaalsContact C-N 3.28Å
719	V	75	Confident	71.5	Confident	8 Å²	8	54.3 Å²	54.3	5%	0.048	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	4.1	175.5	-60.8	0	0	0	0	113.9	D715 L716 R717 N746 F749	D715-V719 PolarHBondContact O-N 3.34Å; D715-V719 VanDerWaalsContact O-N 3.08Å; L716-V719 HydrophobicContact CD1-CG2 4.25Å; L716-V719 WeakPolarHBondContact O-CG2 3.33Å; L716-V719 PolarHBondContact O-N 3.29Å; R717-V719 VanDerWaalsContact C-N 3.32Å; R717-V719 PolarHBondContact O-N 3.42Å; V719-N746 HydrophobicContact CB-CB 4.44Å; V719-N746 WeakPolarHBondContact CG1-OD1 3.29Å; V719-F749 HydrophobicContact CG1-CD1 4.07Å; V719-F749 HydrophobicContact CG1-CG 4.41Å; V719-F749 HydrophobicContact CG2-CD1 3.82Å; V719-F749 HydrophobicContact CG2-CE1 4.44Å
720	G	65.5	Low	69.5	Low	24 Å²	24	56.1 Å²	56.1	25%	0.247	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	85	14.7	-176.7	0	0	0	0	0	113.9	R717 G718 K733	R717-G720 PolarHBondContact O-N 3.14Å; G718-G720 VanDerWaalsContact C-N 3.28Å; G720-K733 PolarHBondContact O-N 3.49Å
721	G	60.5	Low	67.6	Low	3 Å²	3	58.3 Å²	58.3	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	127.2	167.9	0	0	0	0	0	110.6	L716	L716-G721 PolarHBondContact O-N 2.9Å; L716-G721 VanDerWaalsContact O-N 3.15Å
722	V	55.6	Low	65.9	Low	68 Å²	68	55.7 Å²	55.7	41%	0.412	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.9	173.2	-173.5	0	0	0	0	108.3	V731 K733	V722-V731 PolarHBondContact N-O 3.29Å; V722-V731 PolarHBondContact O-N 2.76Å; V722-K733 HydrophobicContact CG2-CD 4.33Å
723	A	54	Low	64	Low	32 Å²	32	62.2 Å²	62.2	26%	0.264	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	135.9	171.2	0	0	0	0	0	110.2	W730	A723-W730 HydrophobicContact CB-CD2 4.28Å; A723-W730 HydrophobicContact CB-CE3 4.33Å; A723-W730 HydrophobicContact CB-CH2 3.98Å; A723-W730 HydrophobicContact CB-CZ2 3.9Å; A723-W730 HydrophobicContact CB-CZ3 4.2Å
724	N	53.3	Low	62.2	Low	40 Å²	40	62.8 Å²	62.8	21%	0.214	36%	0.362	C	S	.	.			trans	-65.1	169.7	166.3	72.9	6.1	0	0	0	110.6	N726 N727 A728 E729	N724-N726 PolarHBondContact O-N 2.83Å; N724-N726 WeakPolarHBondContact OD1-CA 3.28Å; N724-N726 WeakPolarHBondContact OD1-CB 3.43Å; N724-N726 PolarHBondContact OD1-N 2.78Å; N724-N726 VanDerWaalsContact OD1-N 3.12Å; N724-N727 PolarHBondContact O-N 3.49Å; N724-N727 VanDerWaalsContact O-N 3.11Å; N724-N727 PolarHBondContact OD1-N 3.38Å; N724-A728 PolarHBondContact OD1-N 3.16Å; N724-A728 VanDerWaalsContact OD1-N 3.13Å; N724-E729 PolarHBondContact N-O 3.16Å; N724-E729 WeakPolarHBondContact ND2-CB 3.05Å; N724-E729 PolarHBondContact OD1-N 2.88Å
725	S	51.5	Low	60.2	Low	120 Å²	120	67 Å²	67	84%	0.839	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-7.4	179.9	49.9	0	0	0	0	114.8
726	N	51.7	Low	58.5	Low	119 Å²	119	67.3 Å²	67.3	64%	0.636	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-0.6	-172.3	-50.8	5	0	0	0	111.1	N724 A728	N724-N726 PolarHBondContact O-N 2.83Å; N724-N726 WeakPolarHBondContact OD1-CA 3.28Å; N724-N726 WeakPolarHBondContact OD1-CB 3.43Å; N724-N726 PolarHBondContact OD1-N 2.78Å; N724-N726 VanDerWaalsContact OD1-N 3.12Å; N726-A728 HydrophobicContact CB-CB 4.45Å; N726-A728 PolarHBondContact O-N 3.24Å
727	N	52.4	Low	56.9	Low	112 Å²	112	72.2 Å²	72.2	60%	0.599	42%	0.416	S	S	*	.	S	Bend	trans	54.7	9.8	-172.3	-65.3	-32.3	0	0	0	115.9	N724	N724-N727 PolarHBondContact O-N 3.49Å; N724-N727 VanDerWaalsContact O-N 3.11Å; N724-N727 PolarHBondContact OD1-N 3.38Å
728	A	43.1	Very low	55.6	Low	85 Å²	85	72 Å²	72	70%	0.702	43%	0.429	S	S	*	.	S	Bend	trans	-95.8	-15.5	-171.1	0	0	0	0	0	113.8	N724 N726	N724-A728 PolarHBondContact OD1-N 3.16Å; N724-A728 VanDerWaalsContact OD1-N 3.13Å; N726-A728 HydrophobicContact CB-CB 4.45Å; N726-A728 PolarHBondContact O-N 3.24Å
729	E	45.4	Very low	54.3	Low	124 Å²	124	79.4 Å²	79.4	58%	0.579	45%	0.45	S	S	*	.			trans	-143.7	138	-174.5	-156.8	-174.5	179.2	0	0	110.1	N724	N724-E729 PolarHBondContact N-O 3.16Å; N724-E729 WeakPolarHBondContact ND2-CB 3.05Å; N724-E729 PolarHBondContact OD1-N 2.88Å
730	W	52.9	Low	53.9	Low	42 Å²	42	81.3 Å²	81.3	16%	0.159	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	104.8	-177	-76.5	85.6	0	0	0	110.7	L716 R717 A723 I732 L757	L716-W730 HydrophobicContact CD1-CE3 4.3Å; L716-W730 HydrophobicContact CD2-CD2 3.59Å; L716-W730 HydrophobicContact CD2-CE3 3.67Å; L716-W730 HydrophobicContact CD2-CG 4.27Å; L716-W730 HydrophobicContact CD2-CH2 3.75Å; L716-W730 HydrophobicContact CD2-CZ2 3.66Å; L716-W730 HydrophobicContact CD2-CZ3 3.75Å; L716-W730 HydrophobicContact CG-CD2 4.13Å; L716-W730 HydrophobicContact CG-CE3 3.72Å; L716-W730 HydrophobicContact CG-CH2 4.17Å; L716-W730 HydrophobicContact CG-CZ3 3.74Å; R717-W730 HydrophobicContact CG-CZ3 4.44Å; A723-W730 HydrophobicContact CB-CD2 4.28Å; A723-W730 HydrophobicContact CB-CE3 4.33Å; A723-W730 HydrophobicContact CB-CH2 3.98Å; A723-W730 HydrophobicContact CB-CZ2 3.9Å; A723-W730 HydrophobicContact CB-CZ3 4.2Å; W730-I732 PolarHBondContact O-N 2.97Å; W730-L757 HydrophobicContact CH2-CD2 4.36Å; W730-L757 HydrophobicContact CZ2-CD2 3.77Å
731	V	52.4	Low	53.9	Low	73 Å²	73	84 Å²	84	44%	0.442	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	117.8	178.6	-178.1	0	0	0	0	109.2	V722	V722-V731 PolarHBondContact N-O 3.29Å; V722-V731 PolarHBondContact O-N 2.76Å
732	I	58.1	Low	54.3	Low	36 Å²	36	85.7 Å²	85.7	19%	0.185	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	110.3	-175.8	-55.2	169.3	0	0	0	109.7	W730 S734 L747 L751	W730-I732 PolarHBondContact O-N 2.97Å; I732-S734 PolarHBondContact O-N 3.38Å; I732-L747 HydrophobicContact CD1-CD1 3.89Å; I732-L747 WeakPolarHBondContact CD1-O 3.39Å; I732-L751 HydrophobicContact CD1-CG 4.36Å
733	K	51.5	Low	55.1	Low	139 Å²	139	84.8 Å²	84.8	60%	0.604	48%	0.477	S	S	*	.			trans	-95.9	81.2	178.2	-65.3	179.6	-176.8	175.6	0	110.3	G720 V722	G720-K733 PolarHBondContact O-N 3.49Å; V722-K733 HydrophobicContact CG2-CD 4.33Å
734	S	51.7	Low	56.2	Low	33 Å²	33	87.2 Å²	87.2	23%	0.231	48%	0.481	C	S	.	.			trans	-110.8	131	174.7	77.3	0	0	0	0	111.5	I732 F743	I732-S734 PolarHBondContact O-N 3.38Å; S734-F743 VanDerWaalsContact OG-CD2 3.29Å; S734-F743 WeakPolarHBondContact OG-CD2 3.47Å; S734-F743 WeakPolarHBondContact OG-CE2 3.46Å
735	N	48.3	Very low	57.4	Low	171 Å²	171	85.4 Å²	85.4	91%	0.914	47%	0.472	S	S	*	.			trans	-102.1	24.6	179	-66.3	14.8	0	0	0	111.7
736	S	53.2	Low	58.8	Low	44 Å²	44	80.6 Å²	80.6	31%	0.308	44%	0.436	S	S	.	.	S	Bend	trans	-89.9	149.9	178.4	40.8	0	0	0	0	111.2	F743	S736-F743 WeakPolarHBondContact O-CD2 3.19Å
737	D	53.5	Low	60.2	Low	103 Å²	103	78.3 Å²	78.3	55%	0.551	42%	0.424	S	S	*	.			trans	-51.7	127.6	176.5	-173.4	-40.4	0	0	0	110.8	K739 S740 F743	D737-K739 PolarHBondContact O-N 3.04Å; D737-K739 WeakPolarHBondContact OD1-CB 3.12Å; D737-K739 PolarHBondContact OD1-N 3.21Å; D737-S740 WeakPolarHBondContact O-CB 3.46Å; D737-S740 PolarHBondContact O-N 2.83Å; D737-F743 WeakPolarHBondContact O-CB 3.48Å
738	P	57.4	Low	61.6	Low	99 Å²	99	74.2 Å²	74.2	64%	0.643	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.2	-177.7	25.9	-35.8	0	0	0	114.5	F743	P738-F743 HydrophobicContact CB-CD1 4.44Å; P738-F743 HydrophobicContact CB-CE1 4.25Å; P738-F743 HydrophobicContact CB-CZ 4.42Å
739	K	54.5	Low	63.7	Low	192 Å²	192	70.2 Å²	70.2	84%	0.835	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-5.2	174.2	-65.8	-178.6	177.8	177.2	0	114.3	D737	D737-K739 PolarHBondContact O-N 3.04Å; D737-K739 WeakPolarHBondContact OD1-CB 3.12Å; D737-K739 PolarHBondContact OD1-N 3.21Å
740	S	64.6	Low	65.6	Low	49 Å²	49	64.3 Å²	64.3	34%	0.343	34%	0.343	S	S	.	.			trans	-77.8	132.5	178.8	-175.3	0	0	0	0	111.6	D737 A742 F743 K744	D737-S740 WeakPolarHBondContact O-CB 3.46Å; D737-S740 PolarHBondContact O-N 2.83Å; S740-A742 PolarHBondContact O-N 2.88Å; S740-A742 VanDerWaalsContact O-N 3.12Å; S740-A742 PolarHBondContact OG-N 2.95Å; S740-F743 WeakPolarHBondContact O-CA 3.41Å; S740-F743 WeakPolarHBondContact O-CB 3.47Å; S740-F743 PolarHBondContact O-N 2.85Å; S740-K744 PolarHBondContact O-N 2.82Å; S740-K744 VanDerWaalsContact O-N 3.09Å
741	D	66.3	Low	67.1	Low	81 Å²	81	67.2 Å²	67.2	43%	0.433	36%	0.361	S	S	.	.	H	α-helix	trans	-57.4	-25.9	169.8	-71.7	-68.7	0	0	0	112.4	K744 A745	D741-K744 PolarHBondContact O-N 2.78Å; D741-A745 VanDerWaalsContact O-CB 3.23Å; D741-A745 WeakPolarHBondContact O-CB 3.32Å; D741-A745 PolarHBondContact O-N 3.22Å
742	A	69.8	Low	68.8	Low	37 Å²	37	65.9 Å²	65.9	31%	0.306	35%	0.353	S	S	.	.	H	α-helix	trans	-70.5	-33	171.6	0	0	0	0	0	113.1	S740 N746	S740-A742 PolarHBondContact O-N 2.88Å; S740-A742 VanDerWaalsContact O-N 3.12Å; S740-A742 PolarHBondContact OG-N 2.95Å; A742-N746 WeakPolarHBondContact O-CB 3.47Å; A742-N746 PolarHBondContact O-N 2.83Å; A742-N746 PolarHBondContact O-ND2 2.93Å
743	F	71.5	Confident	70.3	Confident	50 Å²	50	64.2 Å²	64.2	22%	0.219	35%	0.345	C	S	.	.	H	α-helix	trans	-65.8	-48.2	170.6	173	-87.1	0	0	0	109.8	S734 S736 D737 P738 S740 A745 N746 L747	S734-F743 VanDerWaalsContact OG-CD2 3.29Å; S734-F743 WeakPolarHBondContact OG-CD2 3.47Å; S734-F743 WeakPolarHBondContact OG-CE2 3.46Å; S736-F743 WeakPolarHBondContact O-CD2 3.19Å; D737-F743 WeakPolarHBondContact O-CB 3.48Å; P738-F743 HydrophobicContact CB-CD1 4.44Å; P738-F743 HydrophobicContact CB-CE1 4.25Å; P738-F743 HydrophobicContact CB-CZ 4.42Å; S740-F743 WeakPolarHBondContact O-CA 3.41Å; S740-F743 WeakPolarHBondContact O-CB 3.47Å; S740-F743 PolarHBondContact O-N 2.85Å; F743-A745 PolarHBondContact O-N 2.92Å; F743-N746 PolarHBondContact O-N 2.7Å; F743-L747 HydrophobicContact CE1-CD2 4.13Å; F743-L747 WeakPolarHBondContact O-CB 3.36Å; F743-L747 PolarHBondContact O-N 2.98Å
744	K	77.3	Confident	72	Confident	82 Å²	82	57.8 Å²	57.8	36%	0.357	32%	0.318	S	S	.	.	H	α-helix	trans	-58.9	-44.9	177.1	-176	-176.9	170.3	-167.1	0	112.1	E464 S740 D741 L747 S748	E464-K744 VanDerWaalsContact OE1-CE 3.25Å; E464-K744 WeakPolarHBondContact OE1-CE 3.25Å; E464-K744 IonicContact OE1-NZ 3.24Å; E464-K744 PolarHBondContact OE1-NZ 3.47Å; S740-K744 PolarHBondContact O-N 2.82Å; S740-K744 VanDerWaalsContact O-N 3.09Å; D741-K744 PolarHBondContact O-N 2.78Å; K744-L747 WeakPolarHBondContact O-CB 3.37Å; K744-L747 PolarHBondContact O-N 3.36Å; K744-S748 PolarHBondContact O-N 2.96Å; K744-S748 PolarHBondContact O-OG 3.34Å
745	A	79.4	Confident	73.7	Confident	2 Å²	2	63.8 Å²	63.8	2%	0.017	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-48.3	175.3	0	0	0	0	0	112.1	I463 L546 D741 F743 L747 S748 F749	I463-A745 HydrophobicContact CG2-CB 4.14Å; L546-A745 HydrophobicContact CD2-CB 3.38Å; D741-A745 VanDerWaalsContact O-CB 3.23Å; D741-A745 WeakPolarHBondContact O-CB 3.32Å; D741-A745 PolarHBondContact O-N 3.22Å; F743-A745 PolarHBondContact O-N 2.92Å; A745-L747 VanDerWaalsContact C-N 3.27Å; A745-L747 PolarHBondContact O-N 3.41Å; A745-S748 PolarHBondContact O-N 3.26Å; A745-F749 VanDerWaalsContact O-CB 3.23Å; A745-F749 WeakPolarHBondContact O-CB 3.3Å; A745-F749 PolarHBondContact O-N 3.33Å
746	N	80.5	Confident	75.8	Confident	19 Å²	19	56.6 Å²	56.6	10%	0.102	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-36.1	176.5	-69.2	-40.3	0	0	0	111.9	V719 A742 F743 G750	V719-N746 HydrophobicContact CB-CB 4.44Å; V719-N746 WeakPolarHBondContact CG1-OD1 3.29Å; A742-N746 WeakPolarHBondContact O-CB 3.47Å; A742-N746 PolarHBondContact O-N 2.83Å; A742-N746 PolarHBondContact O-ND2 2.93Å; F743-N746 PolarHBondContact O-N 2.7Å; N746-G750 PolarHBondContact O-N 3.33Å
747	L	80.6	Confident	77.6	Confident	71 Å²	71	54.6 Å²	54.6	37%	0.372	29%	0.289	S	S	.	.	H	α-helix	trans	-65.9	-52.1	175.9	178.3	58.2	0	0	0	111.6	I732 F743 K744 A745 F749 G750 L751	I732-L747 HydrophobicContact CD1-CD1 3.89Å; I732-L747 WeakPolarHBondContact CD1-O 3.39Å; F743-L747 HydrophobicContact CE1-CD2 4.13Å; F743-L747 WeakPolarHBondContact O-CB 3.36Å; F743-L747 PolarHBondContact O-N 2.98Å; K744-L747 WeakPolarHBondContact O-CB 3.37Å; K744-L747 PolarHBondContact O-N 3.36Å; A745-L747 VanDerWaalsContact C-N 3.27Å; A745-L747 PolarHBondContact O-N 3.41Å; L747-F749 PolarHBondContact O-N 3.36Å; L747-G750 PolarHBondContact O-N 3.27Å; L747-L751 HydrophobicContact CD1-CD1 3.8Å; L747-L751 HydrophobicContact CD1-CG 4.22Å; L747-L751 HydrophobicContact CG-CD1 4.17Å; L747-L751 WeakPolarHBondContact O-CG 3.24Å; L747-L751 PolarHBondContact O-N 3.18Å
748	S	82.5	Confident	79.3	Confident	26 Å²	26	52 Å²	52	18%	0.182	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-44.8	174.6	-74.5	0	0	0	0	111.9	K744 A745 L751 V752	K744-S748 PolarHBondContact O-N 2.96Å; K744-S748 PolarHBondContact O-OG 3.34Å; A745-S748 PolarHBondContact O-N 3.26Å; S748-L751 PolarHBondContact O-N 2.91Å; S748-V752 WeakPolarHBondContact O-CB 3.39Å; S748-V752 WeakPolarHBondContact O-CG2 3.36Å; S748-V752 PolarHBondContact O-N 3.21Å
749	F	87.5	Confident	81	Confident	1 Å²	1	51 Å²	51	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-59.8	-49.5	176.9	-166.7	-77.5	0	0	0	111.4	L465 A552 H553 A556 D715 L716 V719 A745 L747 L751 V753	L465-F749 HydrophobicContact CD1-CB 4.29Å; L465-F749 HydrophobicContact CD1-CD2 3.77Å; L465-F749 HydrophobicContact CD1-CE2 4.38Å; L465-F749 HydrophobicContact CD1-CG 4.19Å; A552-F749 HydrophobicContact CB-CE2 4.16Å; A552-F749 HydrophobicContact CB-CZ 4.29Å; H553-F749 AromaticContact CE1-CD2 3.48Å; H553-F749 VanDerWaalsContact CE1-CD2 3.48Å; H553-F749 WeakPolarHBondContact CE1-CD2 3.24Å; H553-F749 AromaticContact CG-CD2 3.97Å; H553-F749 AromaticContact ND1-CD2 3.64Å; H553-F749 AromaticContact NE2-CD2 3.73Å; A556-F749 HydrophobicContact CB-CD2 4.48Å; A556-F749 HydrophobicContact CB-CE2 3.69Å; A556-F749 HydrophobicContact CB-CZ 4.14Å; D715-F749 HydrophobicContact CB-CE1 4.39Å; D715-F749 HydrophobicContact CB-CZ 3.99Å; L716-F749 HydrophobicContact CB-CE1 4.3Å; L716-F749 HydrophobicContact CD1-CD1 4.35Å; V719-F749 HydrophobicContact CG1-CD1 4.07Å; V719-F749 HydrophobicContact CG1-CG 4.41Å; V719-F749 HydrophobicContact CG2-CD1 3.82Å; V719-F749 HydrophobicContact CG2-CE1 4.44Å; A745-F749 VanDerWaalsContact O-CB 3.23Å; A745-F749 WeakPolarHBondContact O-CB 3.3Å; A745-F749 PolarHBondContact O-N 3.33Å; L747-F749 PolarHBondContact O-N 3.36Å; F749-L751 PolarHBondContact O-N 2.72Å; F749-V753 HydrophobicContact CD1-CB 4.19Å; F749-V753 HydrophobicContact CD1-CG2 3.91Å; F749-V753 HydrophobicContact CD2-CG2 4.14Å; F749-V753 HydrophobicContact CE1-CB 4.05Å; F749-V753 HydrophobicContact CE1-CG1 4.19Å; F749-V753 HydrophobicContact CE1-CG2 3.82Å; F749-V753 HydrophobicContact CE2-CG2 4.06Å; F749-V753 HydrophobicContact CG-CG2 4.07Å; F749-V753 HydrophobicContact CZ-CG1 4.49Å; F749-V753 HydrophobicContact CZ-CG2 3.89Å; F749-V753 WeakPolarHBondContact O-CB 3.32Å; F749-V753 VanDerWaalsContact O-CG2 3.31Å; F749-V753 WeakPolarHBondContact O-CG2 3.49Å; F749-V753 PolarHBondContact O-N 2.99Å
750	G	83.8	Confident	82.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.9	-35.7	-177.1	0	0	0	0	0	113.9	N746 L747 G754	N746-G750 PolarHBondContact O-N 3.33Å; L747-G750 PolarHBondContact O-N 3.27Å; G750-G754 WeakPolarHBondContact O-CA 3.1Å; G750-G754 PolarHBondContact O-N 3.22Å; G750-G754 VanDerWaalsContact O-N 3.13Å
751	L	85.3	Confident	84.2	Confident	104 Å²	104	43.8 Å²	43.8	55%	0.545	23%	0.233	S	C	.	.	H	α-helix	trans	-73	-56.5	176	-68.1	171.5	0	0	0	111.7	I732 L747 S748 F749 G754 Q755	I732-L751 HydrophobicContact CD1-CG 4.36Å; L747-L751 HydrophobicContact CD1-CD1 3.8Å; L747-L751 HydrophobicContact CD1-CG 4.22Å; L747-L751 HydrophobicContact CG-CD1 4.17Å; L747-L751 WeakPolarHBondContact O-CG 3.24Å; L747-L751 PolarHBondContact O-N 3.18Å; S748-L751 PolarHBondContact O-N 2.91Å; F749-L751 PolarHBondContact O-N 2.72Å; L751-G754 PolarHBondContact O-N 3.24Å; L751-Q755 PolarHBondContact O-N 2.9Å
752	V	88.6	Confident	85.5	Confident	45 Å²	45	46.7 Å²	46.7	27%	0.273	24%	0.244	S	C	.	.	H	α-helix	trans	-67.9	-47.5	-173.6	178.5	0	0	0	0	111.1	L465 L560 S748 G754 F756	L465-V752 HydrophobicContact CB-CB 4.35Å; L465-V752 HydrophobicContact CB-CG1 4.17Å; L465-V752 HydrophobicContact CD1-CB 4.37Å; L560-V752 HydrophobicContact CD1-CG1 3.7Å; L560-V752 HydrophobicContact CD2-CG1 3.92Å; L560-V752 HydrophobicContact CG-CG1 4.5Å; S748-V752 WeakPolarHBondContact O-CB 3.39Å; S748-V752 WeakPolarHBondContact O-CG2 3.36Å; S748-V752 PolarHBondContact O-N 3.21Å; V752-G754 VanDerWaalsContact C-N 3.33Å; V752-F756 VanDerWaalsContact O-CB 3.25Å; V752-F756 WeakPolarHBondContact O-CB 3.31Å; V752-F756 PolarHBondContact O-N 3.19Å
753	V	89.3	Confident	86.7	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-71.6	-31.1	177.9	-172.7	0	0	0	0	110.9	L465 A556 L712 L716 F749 L757	L465-V753 HydrophobicContact CD1-CG2 3.5Å; A556-V753 HydrophobicContact CB-CG2 3.81Å; L712-V753 HydrophobicContact CB-CG1 4.05Å; L712-V753 HydrophobicContact CD2-CG1 4.41Å; L716-V753 HydrophobicContact CB-CG1 4.47Å; L716-V753 HydrophobicContact CD2-CG1 4.42Å; F749-V753 HydrophobicContact CD1-CB 4.19Å; F749-V753 HydrophobicContact CD1-CG2 3.91Å; F749-V753 HydrophobicContact CD2-CG2 4.14Å; F749-V753 HydrophobicContact CE1-CB 4.05Å; F749-V753 HydrophobicContact CE1-CG1 4.19Å; F749-V753 HydrophobicContact CE1-CG2 3.82Å; F749-V753 HydrophobicContact CE2-CG2 4.06Å; F749-V753 HydrophobicContact CG-CG2 4.07Å; F749-V753 HydrophobicContact CZ-CG1 4.49Å; F749-V753 HydrophobicContact CZ-CG2 3.89Å; F749-V753 WeakPolarHBondContact O-CB 3.32Å; F749-V753 VanDerWaalsContact O-CG2 3.31Å; F749-V753 WeakPolarHBondContact O-CG2 3.49Å; F749-V753 PolarHBondContact O-N 2.99Å; V753-L757 WeakPolarHBondContact O-CB 3.42Å; V753-L757 PolarHBondContact O-N 3.17Å
754	G	86.1	Confident	87.7	Confident	3 Å²	3	45.3 Å²	45.3	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-46.9	174.2	0	0	0	0	0	113.1	G750 L751 V752	G750-G754 WeakPolarHBondContact O-CA 3.1Å; G750-G754 PolarHBondContact O-N 3.22Å; G750-G754 VanDerWaalsContact O-N 3.13Å; L751-G754 PolarHBondContact O-N 3.24Å; V752-G754 VanDerWaalsContact C-N 3.33Å
755	Q	87.9	Confident	88.6	Confident	159 Å²	159	47.7 Å²	47.7	74%	0.743	24%	0.243	S	C	*	.	H	α-helix	trans	-68	-47	175.8	-173	178.1	10.9	0	0	111.8	L751 L757 A758 H759	L751-Q755 PolarHBondContact O-N 2.9Å; Q755-L757 VanDerWaalsContact C-N 3.33Å; Q755-L757 PolarHBondContact O-N 3.42Å; Q755-A758 PolarHBondContact O-N 3.37Å; Q755-H759 PolarHBondContact O-N 3.38Å
756	F	92.8	Very high	89.3	Confident	21 Å²	21	51.6 Å²	51.6	9%	0.092	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-37.8	178.8	173.3	-99.7	0	0	0	112.7	M559 L560 F563 L712 V752 A758 H759 A760	M559-F756 HydrophobicContact CB-CE1 4.04Å; M559-F756 HydrophobicContact CB-CZ 4.19Å; M559-F756 HydrophobicContact CE-CE1 4.41Å; L560-F756 HydrophobicContact CD2-CB 3.76Å; L560-F756 HydrophobicContact CD2-CD1 4.3Å; L560-F756 HydrophobicContact CD2-CD2 3.65Å; L560-F756 HydrophobicContact CD2-CE2 4.33Å; L560-F756 HydrophobicContact CD2-CG 3.63Å; F563-F756 HydrophobicContact CB-CE2 4.04Å; F563-F756 HydrophobicContact CB-CZ 3.6Å; F563-F756 AromaticContact CD1-CE2 3.87Å; F563-F756 HydrophobicContact CD1-CE2 3.87Å; F563-F756 AromaticContact CD1-CZ 3.78Å; F563-F756 HydrophobicContact CD1-CZ 3.78Å; F563-F756 HydrophobicContact CD2-CZ 4.3Å; F563-F756 HydrophobicContact CG-CE2 4.13Å; F563-F756 AromaticContact CG-CZ 3.64Å; F563-F756 HydrophobicContact CG-CZ 3.64Å; L712-F756 HydrophobicContact CD1-CD1 3.95Å; L712-F756 HydrophobicContact CD1-CE1 3.58Å; V752-F756 VanDerWaalsContact O-CB 3.25Å; V752-F756 WeakPolarHBondContact O-CB 3.31Å; V752-F756 PolarHBondContact O-N 3.19Å; F756-A758 VanDerWaalsContact C-N 3.31Å; F756-A758 PolarHBondContact O-N 2.85Å; F756-H759 WeakPolarHBondContact O-CB 3.37Å; F756-H759 PolarHBondContact O-N 3.29Å; F756-A760 HydrophobicContact CD1-CB 4.48Å; F756-A760 HydrophobicContact CE1-CB 4.09Å; F756-A760 HydrophobicContact CZ-CB 4.23Å; F756-A760 WeakPolarHBondContact O-CB 3.36Å; F756-A760 PolarHBondContact O-N 2.91Å
757	L	91.4	Very high	90	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-35	179.8	-177.3	64.6	0	0	0	112.2	V709 E713 L716 W730 V753 Q755 A760 M761	V709-L757 HydrophobicContact CG1-CD1 3.79Å; E713-L757 HydrophobicContact CB-CD1 4.33Å; E713-L757 HydrophobicContact CB-CD2 4.15Å; E713-L757 HydrophobicContact CG-CD2 4.11Å; L716-L757 HydrophobicContact CD2-CD2 3.76Å; W730-L757 HydrophobicContact CH2-CD2 4.36Å; W730-L757 HydrophobicContact CZ2-CD2 3.77Å; V753-L757 WeakPolarHBondContact O-CB 3.42Å; V753-L757 PolarHBondContact O-N 3.17Å; Q755-L757 VanDerWaalsContact C-N 3.33Å; Q755-L757 PolarHBondContact O-N 3.42Å; L757-A760 PolarHBondContact O-N 2.86Å; L757-M761 HydrophobicContact CD1-CG 4.18Å; L757-M761 HydrophobicContact CD1-SD 4.25Å; L757-M761 HydrophobicContact CG-CG 4.41Å; L757-M761 HydrophobicContact CG-SD 4.05Å; L757-M761 WeakPolarHBondContact O-CB 3.3Å; L757-M761 VanDerWaalsContact O-CG 3.24Å; L757-M761 WeakPolarHBondContact O-CG 3.22Å; L757-M761 PolarHBondContact O-N 3.21Å
758	A	88.7	Confident	90.6	Very high	48 Å²	48	49.1 Å²	49.1	40%	0.397	25%	0.253	S	S	.	.	H	α-helix	trans	-63.3	-46.9	174.4	0	0	0	0	0	111.4	Q755 F756 M761 Q762	Q755-A758 PolarHBondContact O-N 3.37Å; F756-A758 VanDerWaalsContact C-N 3.31Å; F756-A758 PolarHBondContact O-N 2.85Å; A758-M761 PolarHBondContact O-N 2.93Å; A758-Q762 PolarHBondContact O-N 2.9Å; A758-Q762 VanDerWaalsContact O-N 3.13Å
759	H	92.1	Very high	91.2	Very high	79 Å²	79	52.5 Å²	52.5	37%	0.366	27%	0.266	S	S	.	.	H	α-helix	trans	-58.8	-51.5	173.1	-179.3	-116.2	0	0	0	111.5	D564 Q755 F756 M761 Q762 E763	D564-H759 IonicContact OD1-CE1 3.07Å; D564-H759 PolarHBondContact OD1-CE1 3.2Å; D564-H759 VanDerWaalsContact OD1-CE1 3.27Å; D564-H759 IonicContact OD1-ND1 2.99Å; Q755-H759 PolarHBondContact O-N 3.38Å; F756-H759 WeakPolarHBondContact O-CB 3.37Å; F756-H759 PolarHBondContact O-N 3.29Å; H759-M761 VanDerWaalsContact C-N 3.29Å; H759-M761 PolarHBondContact O-N 2.93Å; H759-Q762 WeakPolarHBondContact O-CB 3.43Å; H759-Q762 PolarHBondContact O-N 2.83Å; H759-Q762 VanDerWaalsContact O-N 3.12Å; H759-E763 PolarHBondContact O-N 3.25Å
760	A	93.7	Very high	91.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-33.1	-177.6	0	0	0	0	0	113.1	F563 V709 F756 L757 L764	F563-A760 HydrophobicContact CD1-CB 4.42Å; F563-A760 HydrophobicContact CE1-CB 3.76Å; F563-A760 HydrophobicContact CE2-CB 4.01Å; F563-A760 VanDerWaalsContact CZ-CA 3.47Å; F563-A760 HydrophobicContact CZ-CB 3.51Å; V709-A760 HydrophobicContact CG1-CB 4.44Å; V709-A760 HydrophobicContact CG2-CB 4.09Å; F756-A760 HydrophobicContact CD1-CB 4.48Å; F756-A760 HydrophobicContact CE1-CB 4.09Å; F756-A760 HydrophobicContact CZ-CB 4.23Å; F756-A760 WeakPolarHBondContact O-CB 3.36Å; F756-A760 PolarHBondContact O-N 2.91Å; L757-A760 PolarHBondContact O-N 2.86Å; A760-L764 WeakPolarHBondContact O-CB 3.47Å; A760-L764 PolarHBondContact O-N 3.46Å
761	M	93	Very high	92.1	Very high	89 Å²	89	55.7 Å²	55.7	44%	0.438	28%	0.282	S	S	.	.	H	α-helix	trans	-72.4	-36.9	174.2	-75.6	179.2	61.6	0	0	112.9	V709 L757 A758 H759 K765	V709-M761 HydrophobicContact CG1-CG 4.31Å; L757-M761 HydrophobicContact CD1-CG 4.18Å; L757-M761 HydrophobicContact CD1-SD 4.25Å; L757-M761 HydrophobicContact CG-CG 4.41Å; L757-M761 HydrophobicContact CG-SD 4.05Å; L757-M761 WeakPolarHBondContact O-CB 3.3Å; L757-M761 VanDerWaalsContact O-CG 3.24Å; L757-M761 WeakPolarHBondContact O-CG 3.22Å; L757-M761 PolarHBondContact O-N 3.21Å; A758-M761 PolarHBondContact O-N 2.93Å; H759-M761 VanDerWaalsContact C-N 3.29Å; H759-M761 PolarHBondContact O-N 2.93Å; M761-K765 PolarHBondContact O-N 3.1Å; M761-K765 VanDerWaalsContact O-N 3.14Å
762	Q	93.9	Very high	92.5	Very high	142 Å²	142	56.2 Å²	56.2	66%	0.664	28%	0.28	S	S	*	.	H	α-helix	trans	-65	-47.2	173.2	174.1	174.3	-24.3	0	0	111.1	A758 H759 K765 L766	A758-Q762 PolarHBondContact O-N 2.9Å; A758-Q762 VanDerWaalsContact O-N 3.13Å; H759-Q762 WeakPolarHBondContact O-CB 3.43Å; H759-Q762 PolarHBondContact O-N 2.83Å; H759-Q762 VanDerWaalsContact O-N 3.12Å; Q762-K765 WeakPolarHBondContact O-CB 3.39Å; Q762-K765 PolarHBondContact O-N 3.4Å; Q762-L766 PolarHBondContact O-N 3.37Å; Q762-L766 VanDerWaalsContact O-N 3.12Å
763	E	94.2	Very high	92.9	Very high	29 Å²	29	57 Å²	57	14%	0.136	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-42	177.4	-85.5	-63.8	169.3	0	0	112.5	F563 V567 K571 H759 K765 L766 L767	F563-E763 HydrophobicContact CE1-CB 4.06Å; F563-E763 HydrophobicContact CZ-CB 4.08Å; V567-E763 HydrophobicContact CG1-CB 4.36Å; V567-E763 WeakPolarHBondContact CG1-OE2 3.48Å; K571-E763 WeakPolarHBondContact CE-OE2 3.43Å; K571-E763 IonicContact NZ-OE1 3.16Å; K571-E763 PolarHBondContact NZ-OE1 3.38Å; K571-E763 IonicContact NZ-OE2 2.71Å; K571-E763 PolarHBondContact NZ-OE2 3.27Å; H759-E763 PolarHBondContact O-N 3.25Å; E763-K765 VanDerWaalsContact C-N 3.26Å; E763-K765 PolarHBondContact O-N 2.91Å; E763-L766 PolarHBondContact O-N 3.14Å; E763-L767 VanDerWaalsContact O-CB 3.31Å; E763-L767 WeakPolarHBondContact O-CB 3.49Å; E763-L767 PolarHBondContact O-N 3.32Å
764	L	94.1	Very high	93.2	Very high	28 Å²	28	57.3 Å²	57.3	15%	0.147	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-29.8	176.2	-171.9	57.9	0	0	0	113.5	K706 V709 A760 S768	K706-L764 HydrophobicContact CD-CD1 4.4Å; K706-L764 HydrophobicContact CG-CD1 3.62Å; K706-L764 HydrophobicContact CG-CD2 4.09Å; K706-L764 HydrophobicContact CG-CG 4.28Å; V709-L764 HydrophobicContact CB-CD2 4.33Å; V709-L764 HydrophobicContact CG1-CD2 4.28Å; A760-L764 WeakPolarHBondContact O-CB 3.47Å; A760-L764 PolarHBondContact O-N 3.46Å; L764-S768 WeakPolarHBondContact O-CB 3.13Å; L764-S768 PolarHBondContact O-N 2.53Å; L764-S768 VanDerWaalsContact O-N 3.14Å; L764-S768 PolarHBondContact O-OG 3Å
765	K	94.4	Very high	93.6	Very high	132 Å²	132	59.9 Å²	59.9	57%	0.574	30%	0.301	S	S	*	.	H	α-helix	trans	-67.1	-55.2	171.6	179.5	-170.2	165	-170.6	0	110.2	M761 Q762 E763 L767 S768 E769	M761-K765 PolarHBondContact O-N 3.1Å; M761-K765 VanDerWaalsContact O-N 3.14Å; Q762-K765 WeakPolarHBondContact O-CB 3.39Å; Q762-K765 PolarHBondContact O-N 3.4Å; E763-K765 VanDerWaalsContact C-N 3.26Å; E763-K765 PolarHBondContact O-N 2.91Å; K765-L767 VanDerWaalsContact C-N 3.31Å; K765-L767 PolarHBondContact O-N 2.87Å; K765-S768 PolarHBondContact O-N 3.47Å; K765-E769 WeakPolarHBondContact CE-OE1 3.46Å; K765-E769 IonicContact NZ-OE1 2.67Å; K765-E769 PolarHBondContact O-N 3.39Å
766	L	95	Very high	93.9	Very high	85 Å²	85	56.2 Å²	56.2	45%	0.445	28%	0.284	S	S	.	.	H	α-helix	trans	-55.5	-45.8	178.7	175.6	60.6	0	0	0	111.8	Q762 E763 S768 E769 L770	Q762-L766 PolarHBondContact O-N 3.37Å; Q762-L766 VanDerWaalsContact O-N 3.12Å; E763-L766 PolarHBondContact O-N 3.14Å; L766-S768 VanDerWaalsContact C-N 3.3Å; L766-S768 PolarHBondContact O-N 3.26Å; L766-E769 PolarHBondContact O-N 3.47Å; L766-L770 WeakPolarHBondContact O-CB 3.23Å; L766-L770 PolarHBondContact O-N 2.98Å
767	L	94.4	Very high	94	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-35.2	177.2	-179.6	60	0	0	0	112.5	L570 L574 L702 E763 K765 H771	L570-L767 HydrophobicContact CB-CD1 3.78Å; L570-L767 HydrophobicContact CB-CD2 4.24Å; L570-L767 HydrophobicContact CD1-CD2 3.92Å; L574-L767 HydrophobicContact CD1-CD1 3.77Å; L702-L767 HydrophobicContact CD1-CD2 3.67Å; L702-L767 HydrophobicContact CD1-CG 3.82Å; E763-L767 VanDerWaalsContact O-CB 3.31Å; E763-L767 WeakPolarHBondContact O-CB 3.49Å; E763-L767 PolarHBondContact O-N 3.32Å; K765-L767 VanDerWaalsContact C-N 3.31Å; K765-L767 PolarHBondContact O-N 2.87Å; L767-H771 VanDerWaalsContact O-CB 3.3Å; L767-H771 WeakPolarHBondContact O-CB 3.34Å; L767-H771 PolarHBondContact O-N 3.47Å
768	S	93.6	Very high	94.1	Very high	38 Å²	38	60.6 Å²	60.6	27%	0.266	30%	0.3	S	S	.	.	H	α-helix	trans	-75.3	-31.8	176.3	-60.2	0	0	0	0	112.8	K706 L764 K765 L766 K772	K706-S768 VanDerWaalsContact CE-OG 3.31Å; K706-S768 WeakPolarHBondContact CE-OG 3.39Å; K706-S768 PolarHBondContact NZ-OG 3Å; L764-S768 WeakPolarHBondContact O-CB 3.13Å; L764-S768 PolarHBondContact O-N 2.53Å; L764-S768 VanDerWaalsContact O-N 3.14Å; L764-S768 PolarHBondContact O-OG 3Å; K765-S768 PolarHBondContact O-N 3.47Å; L766-S768 VanDerWaalsContact C-N 3.3Å; L766-S768 PolarHBondContact O-N 3.26Å; S768-K772 WeakPolarHBondContact O-CB 3.38Å; S768-K772 PolarHBondContact O-N 3.5Å
769	E	95.3	Very high	94.4	Very high	96 Å²	96	61 Å²	61	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-69.9	-39.6	172.4	-71.7	171.4	174.3	0	0	111.5	K765 L766 K772 T773	K765-E769 WeakPolarHBondContact CE-OE1 3.46Å; K765-E769 IonicContact NZ-OE1 2.67Å; K765-E769 PolarHBondContact O-N 3.39Å; L766-E769 PolarHBondContact O-N 3.47Å; E769-K772 PolarHBondContact O-N 3.07Å; E769-T773 WeakPolarHBondContact O-CB 3.5Å; E769-T773 PolarHBondContact O-N 3.32Å; E769-T773 PolarHBondContact O-OG1 3.23Å
770	L	94.8	Very high	94.4	Very high	39 Å²	39	61.3 Å²	61.3	20%	0.204	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-42.7	173	179.6	60.5	0	0	0	112.2	K571 L574 L766 T773 F774	K571-L770 HydrophobicContact CB-CD2 4.32Å; K571-L770 HydrophobicContact CG-CD2 4.46Å; L574-L770 HydrophobicContact CB-CD2 3.84Å; L574-L770 HydrophobicContact CB-CG 3.85Å; L574-L770 HydrophobicContact CD1-CD2 4.38Å; L574-L770 HydrophobicContact CD1-CG 4.29Å; L766-L770 WeakPolarHBondContact O-CB 3.23Å; L766-L770 PolarHBondContact O-N 2.98Å; L770-T773 PolarHBondContact O-N 2.95Å; L770-F774 WeakPolarHBondContact O-CB 3.26Å; L770-F774 PolarHBondContact O-N 3.22Å
771	H	95.1	Very high	94.4	Very high	30 Å²	30	61.4 Å²	61.4	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-38.3	175.5	177.4	-105.7	0	0	0	112.7	L574 E699 L702 L767 F774 T775	L574-H771 HydrophobicContact CD1-CB 4.08Å; E699-H771 IonicContact OE1-CD2 2.65Å; E699-H771 IonicContact OE1-CE1 2.88Å; E699-H771 PolarHBondContact OE1-CE1 2.96Å; E699-H771 IonicContact OE1-NE2 2.61Å; E699-H771 PolarHBondContact OE1-NE2 2.99Å; E699-H771 IonicContact OE2-NE2 2.71Å; L702-H771 HydrophobicContact CD2-CB 4.19Å; L767-H771 VanDerWaalsContact O-CB 3.3Å; L767-H771 WeakPolarHBondContact O-CB 3.34Å; L767-H771 PolarHBondContact O-N 3.47Å; H771-F774 PolarHBondContact O-N 2.95Å; H771-T775 WeakPolarHBondContact O-CB 3.34Å; H771-T775 PolarHBondContact O-N 3.46Å; H771-T775 PolarHBondContact O-OG1 3.28Å
772	K	95	Very high	94.4	Very high	114 Å²	114	57.3 Å²	57.3	50%	0.496	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-48.2	170.4	178.8	-177.8	172.4	-69.3	0	111.3	S768 E769 F774 T775 E776	S768-K772 WeakPolarHBondContact O-CB 3.38Å; S768-K772 PolarHBondContact O-N 3.5Å; E769-K772 PolarHBondContact O-N 3.07Å; K772-F774 VanDerWaalsContact C-N 3.34Å; K772-F774 PolarHBondContact O-N 3.12Å; K772-T775 WeakPolarHBondContact O-CB 3.41Å; K772-T775 PolarHBondContact O-N 3.11Å; K772-T775 VanDerWaalsContact O-N 3.11Å; K772-E776 VanDerWaalsContact CE-OE1 3.29Å; K772-E776 WeakPolarHBondContact CE-OE1 3.41Å; K772-E776 IonicContact NZ-OE1 2.68Å; K772-E776 PolarHBondContact NZ-OE1 3.09Å; K772-E776 IonicContact NZ-OE2 2.73Å; K772-E776 PolarHBondContact NZ-OE2 3Å; K772-E776 WeakPolarHBondContact O-CG 3.32Å; K772-E776 PolarHBondContact O-N 3.03Å
773	T	95.5	Very high	94.4	Very high	62 Å²	62	52.5 Å²	52.5	38%	0.38	26%	0.257	S	S	.	.	H	α-helix	trans	-59.9	-42.8	178	-56	0	0	0	0	111.7	E769 L770 T775 E776 R777	E769-T773 WeakPolarHBondContact O-CB 3.5Å; E769-T773 PolarHBondContact O-N 3.32Å; E769-T773 PolarHBondContact O-OG1 3.23Å; L770-T773 PolarHBondContact O-N 2.95Å; T773-T775 PolarHBondContact O-N 3.49Å; T773-E776 PolarHBondContact O-N 3.4Å; T773-R777 WeakPolarHBondContact O-CG 3.2Å; T773-R777 PolarHBondContact O-N 2.97Å
774	F	96.2	Very high	94.3	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-57.9	-47.4	172.6	166.8	-97.7	0	0	0	111.7	L574 A577 C578 L581 Y693 L770 H771 K772 E776 R777 Y778 A794	L574-F774 HydrophobicContact CD2-CB 3.93Å; L574-F774 HydrophobicContact CD2-CD1 3.99Å; L574-F774 HydrophobicContact CD2-CD2 4.42Å; L574-F774 HydrophobicContact CD2-CG 3.82Å; A577-F774 HydrophobicContact CB-CD2 3.9Å; A577-F774 HydrophobicContact CB-CE2 3.66Å; C578-F774 WeakPolarHBondContact SG-CA 3.49Å; C578-F774 VanDerWaalsContact SG-CB 3.6Å; L581-F774 HydrophobicContact CD1-CD2 3.91Å; L581-F774 HydrophobicContact CD1-CE2 3.55Å; L581-F774 HydrophobicContact CD1-CZ 4.43Å; Y693-F774 AromaticContact CE1-CZ 3.96Å; Y693-F774 HydrophobicContact CE1-CZ 3.96Å; Y693-F774 HydrophobicContact CE2-CD1 4.48Å; Y693-F774 AromaticContact CE2-CE1 3.91Å; Y693-F774 HydrophobicContact CE2-CE1 3.91Å; Y693-F774 HydrophobicContact CE2-CE2 4.06Å; Y693-F774 AromaticContact CE2-CZ 3.68Å; Y693-F774 HydrophobicContact CE2-CZ 3.68Å; Y693-F774 AromaticContact CZ-CE1 3.68Å; Y693-F774 AromaticContact CZ-CZ 3.37Å; Y693-F774 WeakPolarHBondContact OH-CE1 3.42Å; Y693-F774 VanDerWaalsContact OH-CZ 3.31Å; Y693-F774 WeakPolarHBondContact OH-CZ 3.48Å; L770-F774 WeakPolarHBondContact O-CB 3.26Å; L770-F774 PolarHBondContact O-N 3.22Å; H771-F774 PolarHBondContact O-N 2.95Å; K772-F774 VanDerWaalsContact C-N 3.34Å; K772-F774 PolarHBondContact O-N 3.12Å; F774-E776 VanDerWaalsContact C-N 3.3Å; F774-E776 PolarHBondContact O-N 2.92Å; F774-R777 PolarHBondContact O-N 3.44Å; F774-Y778 WeakPolarHBondContact O-CB 3.48Å; F774-Y778 PolarHBondContact O-N 2.89Å; F774-A794 HydrophobicContact CE2-CB 4.41Å; F774-A794 HydrophobicContact CZ-CB 3.88Å
775	T	94.3	Very high	94.2	Very high	56 Å²	56	50.6 Å²	50.6	34%	0.344	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-40.3	178.7	-57.4	0	0	0	0	111.2	H771 K772 T773 N779	H771-T775 WeakPolarHBondContact O-CB 3.34Å; H771-T775 PolarHBondContact O-N 3.46Å; H771-T775 PolarHBondContact O-OG1 3.28Å; K772-T775 WeakPolarHBondContact O-CB 3.41Å; K772-T775 PolarHBondContact O-N 3.11Å; K772-T775 VanDerWaalsContact O-N 3.11Å; T773-T775 PolarHBondContact O-N 3.49Å; T775-N779 PolarHBondContact O-N 3.12Å; T775-N779 PolarHBondContact O-ND2 3.1Å
776	E	94.8	Very high	94	Very high	83 Å²	83	44.7 Å²	44.7	39%	0.388	22%	0.223	S	C	.	.	H	α-helix	trans	-66.7	-47.7	177.4	-71.9	169.2	152.8	0	0	111.6	K772 T773 F774 Y778 N779 E780	K772-E776 VanDerWaalsContact CE-OE1 3.29Å; K772-E776 WeakPolarHBondContact CE-OE1 3.41Å; K772-E776 IonicContact NZ-OE1 2.68Å; K772-E776 PolarHBondContact NZ-OE1 3.09Å; K772-E776 IonicContact NZ-OE2 2.73Å; K772-E776 PolarHBondContact NZ-OE2 3Å; K772-E776 WeakPolarHBondContact O-CG 3.32Å; K772-E776 PolarHBondContact O-N 3.03Å; T773-E776 PolarHBondContact O-N 3.4Å; F774-E776 VanDerWaalsContact C-N 3.3Å; F774-E776 PolarHBondContact O-N 2.92Å; E776-Y778 PolarHBondContact O-N 3.34Å; E776-N779 WeakPolarHBondContact O-CB 3.38Å; E776-N779 PolarHBondContact O-N 2.93Å; E776-N779 VanDerWaalsContact O-N 3.17Å; E776-E780 PolarHBondContact O-N 2.71Å
777	R	93.7	Very high	93.9	Very high	87 Å²	87	41.5 Å²	41.5	33%	0.328	21%	0.206	S	C	.	.	H	α-helix	trans	-64.8	-34.3	175	-65.9	-52.4	-169	95.3	-1.8	113.4	S582 T773 F774 E780 V781	S582-R777 PolarHBondContact OG-NH1 3.36Å; T773-R777 WeakPolarHBondContact O-CG 3.2Å; T773-R777 PolarHBondContact O-N 2.97Å; F774-R777 PolarHBondContact O-N 3.44Å; R777-E780 WeakPolarHBondContact CD-OE2 3.49Å; R777-E780 IonicContact NE-OE2 2.74Å; R777-E780 PolarHBondContact O-N 3.26Å; R777-V781 WeakPolarHBondContact O-CG2 3.47Å; R777-V781 PolarHBondContact O-N 3.31Å
778	Y	95.3	Very high	93.5	Very high	27 Å²	27	44.5 Å²	44.5	11%	0.106	22%	0.222	C	C	.	.	H	α-helix	trans	-66.9	-39.1	173.4	-175.2	-115.5	0	0	0	111.6	L581 F774 E776 V781 A782 Y792 A794 L797	L581-Y778 HydrophobicContact CD1-CD2 4.2Å; L581-Y778 HydrophobicContact CD2-CD2 3.89Å; F774-Y778 WeakPolarHBondContact O-CB 3.48Å; F774-Y778 PolarHBondContact O-N 2.89Å; E776-Y778 PolarHBondContact O-N 3.34Å; Y778-V781 PolarHBondContact O-N 2.87Å; Y778-A782 WeakPolarHBondContact O-CB 3.42Å; Y778-A782 PolarHBondContact O-N 2.92Å; Y778-Y792 PolarHBondContact OH-O 3.26Å; Y778-A794 HydrophobicContact CD2-CB 3.69Å; Y778-A794 HydrophobicContact CE2-CB 3.63Å; Y778-A794 HydrophobicContact CG-CB 4.34Å; Y778-L797 HydrophobicContact CE2-CD2 4.42Å
779	N	93.4	Very high	93.1	Very high	57 Å²	57	46.8 Å²	46.8	31%	0.305	23%	0.228	S	C	.	.	H	α-helix	trans	-61	-43.1	172.8	-84.1	-70	0	0	0	111.9	T775 E776 A782 N783 Q789	T775-N779 PolarHBondContact O-N 3.12Å; T775-N779 PolarHBondContact O-ND2 3.1Å; E776-N779 WeakPolarHBondContact O-CB 3.38Å; E776-N779 PolarHBondContact O-N 2.93Å; E776-N779 VanDerWaalsContact O-N 3.17Å; N779-A782 PolarHBondContact O-N 2.68Å; N779-N783 WeakPolarHBondContact O-CB 3.5Å; N779-N783 PolarHBondContact O-N 3.1Å; N779-N783 PolarHBondContact O-ND2 3.39Å; N779-Q789 PolarHBondContact OD1-NE2 3.4Å; N779-Q789 PolarHBondContact OD1-OE1 3.32Å
780	E	92.9	Very high	92.7	Very high	86 Å²	86	46.7 Å²	46.7	40%	0.402	24%	0.244	S	C	.	.	H	α-helix	trans	-58.9	-50.4	174.5	-70.5	167.7	-161.5	0	0	112.4	E776 R777 N783 Y784	E776-E780 PolarHBondContact O-N 2.71Å; R777-E780 WeakPolarHBondContact CD-OE2 3.49Å; R777-E780 IonicContact NE-OE2 2.74Å; R777-E780 PolarHBondContact O-N 3.26Å; E780-N783 PolarHBondContact O-N 3.16Å; E780-Y784 WeakPolarHBondContact O-CB 3.41Å; E780-Y784 PolarHBondContact O-N 3.08Å
781	V	94.1	Very high	92.3	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-41.1	178.7	171.3	0	0	0	0	111.9	L581 I584 R585 R777 Y778 N783 Y784 L785 L797	L581-V781 HydrophobicContact CB-CG2 3.93Å; L581-V781 HydrophobicContact CD2-CB 3.94Å; L581-V781 HydrophobicContact CD2-CG1 3.93Å; L581-V781 HydrophobicContact CD2-CG2 3.87Å; L581-V781 HydrophobicContact CG-CG2 4.49Å; L581-V781 WeakPolarHBondContact O-CG2 3.36Å; I584-V781 HydrophobicContact CG2-CG1 3.78Å; R585-V781 HydrophobicContact CB-CG2 4.12Å; R777-V781 WeakPolarHBondContact O-CG2 3.47Å; R777-V781 PolarHBondContact O-N 3.31Å; Y778-V781 PolarHBondContact O-N 2.87Å; V781-N783 VanDerWaalsContact C-N 3.3Å; V781-N783 PolarHBondContact O-N 3.25Å; V781-Y784 PolarHBondContact O-N 3.49Å; V781-L785 HydrophobicContact CG1-CD1 3.89Å; V781-L785 HydrophobicContact CG1-CG 4.3Å; V781-L785 WeakPolarHBondContact O-CB 3.36Å; V781-L785 PolarHBondContact O-N 2.73Å; V781-L797 HydrophobicContact CG1-CD2 4.07Å
782	A	93.3	Very high	92.1	Very high	2 Å²	2	51.3 Å²	51.3	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-36	176.6	0	0	0	0	0	112.2	Y778 N779 A786 L787 Q789	Y778-A782 WeakPolarHBondContact O-CB 3.42Å; Y778-A782 PolarHBondContact O-N 2.92Å; N779-A782 PolarHBondContact O-N 2.68Å; A782-A786 CarbonylContact O-C 3.55Å; A782-A786 WeakPolarHBondContact O-CA 3.33Å; A782-A786 PolarHBondContact O-N 3.45Å; A782-L787 HydrophobicContact CB-CB 4.18Å; A782-L787 PolarHBondContact O-N 3.25Å; A782-Q789 HydrophobicContact CB-CG 3.71Å
783	N	92.1	Very high	92	Very high	42 Å²	42	48.5 Å²	48.5	23%	0.225	25%	0.254	C	S	.	.	H	α-helix	trans	-68.7	-45.8	172.3	-70.3	-40.2	0	0	0	111.7	K341 N779 E780 V781 A786	K341-N783 HydrophobicContact CD-CB 4.14Å; K341-N783 WeakPolarHBondContact CE-OD1 3.37Å; K341-N783 PolarHBondContact NZ-OD1 2.92Å; N779-N783 WeakPolarHBondContact O-CB 3.5Å; N779-N783 PolarHBondContact O-N 3.1Å; N779-N783 PolarHBondContact O-ND2 3.39Å; E780-N783 PolarHBondContact O-N 3.16Å; V781-N783 VanDerWaalsContact C-N 3.3Å; V781-N783 PolarHBondContact O-N 3.25Å; N783-A786 PolarHBondContact O-N 3.32Å
784	Y	92.6	Very high	92	Very high	16 Å²	16	45.7 Å²	45.7	6%	0.063	24%	0.237	C	C	.	.	H	α-helix	trans	-58.5	-50.7	178.5	175.4	-115	0	0	0	111.7	N343 S344 V345 E780 V781 A786	N343-Y784 WeakPolarHBondContact O-CD2 3.34Å; S344-Y784 CarbonylContact C-O 3.4Å; S344-Y784 WeakPolarHBondContact CA-O 2.88Å; S344-Y784 WeakPolarHBondContact CB-O 3.05Å; S344-Y784 PolarHBondContact OG-O 2.61Å; V345-Y784 HydrophobicContact CB-CD1 4.49Å; V345-Y784 HydrophobicContact CB-CD2 4.13Å; V345-Y784 HydrophobicContact CB-CE1 4.09Å; V345-Y784 HydrophobicContact CB-CE2 3.7Å; V345-Y784 HydrophobicContact CG2-CE1 4.28Å; V345-Y784 HydrophobicContact CG2-CE2 4.11Å; V345-Y784 WeakPolarHBondContact CG2-OH 3.35Å; V345-Y784 PolarHBondContact N-O 2.95Å; E780-Y784 WeakPolarHBondContact O-CB 3.41Å; E780-Y784 PolarHBondContact O-N 3.08Å; V781-Y784 PolarHBondContact O-N 3.49Å; Y784-A786 VanDerWaalsContact C-N 3.32Å; Y784-A786 PolarHBondContact O-N 3.25Å
785	L	92.7	Very high	91.9	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-82.9	-3.3	-179.7	-61.6	-178.1	0	0	0	114.3	V345 W346 I584 L594 V642 V781 L787 L797	V345-L785 HydrophobicContact CG1-CD2 4.03Å; W346-L785 PolarHBondContact NE1-O 3.17Å; I584-L785 HydrophobicContact CG2-CD1 3.87Å; L594-L785 HydrophobicContact CD1-CD2 4.26Å; V642-L785 HydrophobicContact CG2-CB 4.06Å; V642-L785 HydrophobicContact CG2-CD1 4.4Å; V642-L785 HydrophobicContact CG2-CD2 4.38Å; V781-L785 HydrophobicContact CG1-CD1 3.89Å; V781-L785 HydrophobicContact CG1-CG 4.3Å; V781-L785 WeakPolarHBondContact O-CB 3.36Å; V781-L785 PolarHBondContact O-N 2.73Å; L785-L787 HydrophobicContact CB-CD1 4.26Å; L785-L787 HydrophobicContact CB-CD2 3.63Å; L785-L787 HydrophobicContact CB-CG 3.77Å; L785-L787 HydrophobicContact CD1-CD1 4.38Å; L785-L797 HydrophobicContact CD1-CD1 4.26Å; L785-L797 HydrophobicContact CD1-CD2 4.41Å
786	A	90.8	Very high	91.9	Very high	8 Å²	8	47.1 Å²	47.1	7%	0.066	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	48.1	-175.6	0	0	0	0	0	114.5	L335 L340 A782 N783 Y784	L335-A786 HydrophobicContact CD1-CB 3.88Å; L335-A786 HydrophobicContact CD2-CB 4.45Å; L340-A786 HydrophobicContact CD2-CB 4.25Å; A782-A786 CarbonylContact O-C 3.55Å; A782-A786 WeakPolarHBondContact O-CA 3.33Å; A782-A786 PolarHBondContact O-N 3.45Å; N783-A786 PolarHBondContact O-N 3.32Å; Y784-A786 VanDerWaalsContact C-N 3.32Å; Y784-A786 PolarHBondContact O-N 3.25Å
787	L	91	Very high	91.9	Very high	18 Å²	18	43.1 Å²	43.1	9%	0.094	22%	0.223	C	C	.	.			trans	-85.2	148.6	-177.3	-49.2	-174.3	0	0	0	112.9	V642 A782 L785 Q789 Y792 L797	V642-L787 HydrophobicContact CB-CD2 4.25Å; V642-L787 HydrophobicContact CG2-CD2 4.1Å; A782-L787 HydrophobicContact CB-CB 4.18Å; A782-L787 PolarHBondContact O-N 3.25Å; L785-L787 HydrophobicContact CB-CD1 4.26Å; L785-L787 HydrophobicContact CB-CD2 3.63Å; L785-L787 HydrophobicContact CB-CG 3.77Å; L785-L787 HydrophobicContact CD1-CD1 4.38Å; L787-Q789 PolarHBondContact O-N 3.19Å; L787-Y792 HydrophobicContact CB-CD1 4.12Å; L787-Y792 HydrophobicContact CD1-CD1 3.83Å; L787-Y792 HydrophobicContact CD1-CE1 3.98Å; L787-Y792 HydrophobicContact CD2-CD1 3.82Å; L787-Y792 HydrophobicContact CD2-CE1 3.77Å; L787-Y792 HydrophobicContact CG-CD1 4.12Å; L787-Y792 HydrophobicContact CG-CE1 4.39Å; L787-L797 HydrophobicContact CD1-CD1 4.35Å; L787-L797 HydrophobicContact CD1-CD2 4.01Å
788	D	86.9	Confident	92	Very high	62 Å²	62	39 Å²	39	33%	0.332	21%	0.207	S	C	.	.			trans	-86.1	94	168.8	-173.1	-15.1	0	0	0	110.3	A790 K791 Y792	D788-A790 PolarHBondContact O-N 3.04Å; D788-A790 PolarHBondContact OD1-N 3.46Å; D788-A790 VanDerWaalsContact OD1-N 3.14Å; D788-K791 HydrophobicContact CB-CB 4.49Å; D788-K791 PolarHBondContact O-N 2.65Å; D788-K791 IonicContact OD2-NZ 3.79Å; D788-K791 PolarHBondContact OD2-NZ 2.67Å; D788-Y792 PolarHBondContact O-N 3.02Å
789	Q	86.1	Confident	92	Very high	86 Å²	86	41 Å²	41	40%	0.402	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-21.8	-178.8	-62.2	177.4	-9.9	0	0	114.4	N779 A782 L787 K791	N779-Q789 PolarHBondContact OD1-NE2 3.4Å; N779-Q789 PolarHBondContact OD1-OE1 3.32Å; A782-Q789 HydrophobicContact CB-CG 3.71Å; L787-Q789 PolarHBondContact O-N 3.19Å; Q789-K791 VanDerWaalsContact C-N 3.32Å
790	A	85.1	Confident	92.1	Very high	94 Å²	94	39.4 Å²	39.4	78%	0.777	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-6.4	178.5	0	0	0	0	0	113.2	D788	D788-A790 PolarHBondContact O-N 3.04Å; D788-A790 PolarHBondContact OD1-N 3.46Å; D788-A790 VanDerWaalsContact OD1-N 3.14Å
791	K	87.9	Confident	92.2	Very high	153 Å²	153	35.4 Å²	35.4	67%	0.665	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132	-14.1	-178.9	-56.9	-164	-168.8	85.5	0	114.9	R643 D788 Q789	R643-K791 PolarHBondContact NH2-O 2.94Å; D788-K791 HydrophobicContact CB-CB 4.49Å; D788-K791 PolarHBondContact O-N 2.65Å; D788-K791 IonicContact OD2-NZ 3.79Å; D788-K791 PolarHBondContact OD2-NZ 2.67Å; Q789-K791 VanDerWaalsContact C-N 3.32Å
792	Y	90.9	Very high	92.2	Very high	13 Å²	13	37.2 Å²	37.2	5%	0.051	20%	0.2	C	C	.	.			trans	-126.5	118	-178.5	-162.1	-175.2	0	0	0	108.4	R643 Y778 L787 D788 E796 L797 D800	R643-Y792 HydrophobicContact CB-CE1 4.3Å; Y778-Y792 PolarHBondContact OH-O 3.26Å; L787-Y792 HydrophobicContact CB-CD1 4.12Å; L787-Y792 HydrophobicContact CD1-CD1 3.83Å; L787-Y792 HydrophobicContact CD1-CE1 3.98Å; L787-Y792 HydrophobicContact CD2-CD1 3.82Å; L787-Y792 HydrophobicContact CD2-CE1 3.77Å; L787-Y792 HydrophobicContact CG-CD1 4.12Å; L787-Y792 HydrophobicContact CG-CE1 4.39Å; D788-Y792 PolarHBondContact O-N 3.02Å; Y792-E796 WeakPolarHBondContact CA-OE2 3.35Å; Y792-E796 HydrophobicContact CD2-CB 3.69Å; Y792-E796 HydrophobicContact CE2-CB 3.73Å; Y792-L797 HydrophobicContact CE1-CD1 4.04Å; Y792-L797 HydrophobicContact CE2-CB 3.95Å; Y792-L797 WeakPolarHBondContact OH-CD1 3.3Å; Y792-D800 PolarHBondContact OH-OD2 3.41Å
793	T	93.1	Very high	92.3	Very high	55 Å²	55	39.3 Å²	39.3	34%	0.337	21%	0.213	S	C	.	.			trans	-98.7	164.4	177.2	59.2	0	0	0	0	111.7	D795 E796 L797	T793-D795 VanDerWaalsContact C-N 3.34Å; T793-D795 WeakPolarHBondContact CB-OD1 3.34Å; T793-D795 PolarHBondContact O-N 3.29Å; T793-D795 PolarHBondContact OG1-OD1 3.17Å; T793-E796 PolarHBondContact N-OE2 3.36Å; T793-E796 PolarHBondContact O-N 3.48Å; T793-E796 WeakPolarHBondContact OG1-CG 3.47Å; T793-L797 PolarHBondContact O-N 3.14Å
794	A	93.8	Very high	92.5	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-36.6	-177.1	0	0	0	0	0	113	Y693 F774 Y778 L797 F798	Y693-A794 HydrophobicContact CE1-CB 3.98Å; F774-A794 HydrophobicContact CE2-CB 4.41Å; F774-A794 HydrophobicContact CZ-CB 3.88Å; Y778-A794 HydrophobicContact CD2-CB 3.69Å; Y778-A794 HydrophobicContact CE2-CB 3.63Å; Y778-A794 HydrophobicContact CG-CB 4.34Å; A794-L797 WeakPolarHBondContact O-CB 3.48Å; A794-L797 PolarHBondContact O-N 2.86Å; A794-F798 HydrophobicContact CB-CE2 4.11Å; A794-F798 HydrophobicContact CB-CZ 4.26Å; A794-F798 WeakPolarHBondContact O-CD2 3.32Å; A794-F798 WeakPolarHBondContact O-CG 3.49Å; A794-F798 PolarHBondContact O-N 3.18Å
795	D	94.2	Very high	92.6	Very high	30 Å²	30	38.4 Å²	38.4	16%	0.16	21%	0.206	C	C	.	.	H	α-helix	trans	-67.9	-38.3	175.9	47	-17.1	0	0	0	112.8	Y693 C694 A695 T793 L797 N799	Y693-D795 HydrophobicContact CD1-CB 4.04Å; Y693-D795 HydrophobicContact CE1-CB 4.33Å; Y693-D795 WeakPolarHBondContact O-CB 3.39Å; C694-D795 WeakPolarHBondContact CA-OD2 3.31Å; C694-D795 PolarHBondContact SG-OD2 3.47Å; A695-D795 PolarHBondContact N-OD2 2.9Å; T793-D795 VanDerWaalsContact C-N 3.34Å; T793-D795 WeakPolarHBondContact CB-OD1 3.34Å; T793-D795 PolarHBondContact O-N 3.29Å; T793-D795 PolarHBondContact OG1-OD1 3.17Å; D795-L797 VanDerWaalsContact C-N 3.35Å; D795-N799 VanDerWaalsContact O-CB 3.32Å; D795-N799 WeakPolarHBondContact O-CB 3.1Å; D795-N799 PolarHBondContact O-N 3.04Å
796	E	94.8	Very high	92.6	Very high	63 Å²	63	41.6 Å²	41.6	29%	0.294	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-42.9	168	-71.8	-176.7	117.7	0	0	111.4	R643 Y792 T793 N799 D800	R643-E796 IonicContact CZ-OE1 2.89Å; R643-E796 VanDerWaalsContact CZ-OE1 3.29Å; R643-E796 IonicContact CZ-OE2 2.66Å; R643-E796 IonicContact NH1-OE1 3.3Å; R643-E796 PolarHBondContact NH1-OE1 3.26Å; R643-E796 IonicContact NH1-OE2 2.67Å; R643-E796 IonicContact NH2-OE1 3.38Å; R643-E796 PolarHBondContact NH2-OE1 2.93Å; R643-E796 IonicContact NH2-OE2 2.75Å; R643-E796 PolarHBondContact NH2-OE2 2.85Å; Y792-E796 WeakPolarHBondContact CA-OE2 3.35Å; Y792-E796 HydrophobicContact CD2-CB 3.69Å; Y792-E796 HydrophobicContact CE2-CB 3.73Å; T793-E796 PolarHBondContact N-OE2 3.36Å; T793-E796 PolarHBondContact O-N 3.48Å; T793-E796 WeakPolarHBondContact OG1-CG 3.47Å; E796-N799 PolarHBondContact O-N 3.25Å; E796-D800 WeakPolarHBondContact O-CB 3.19Å; E796-D800 PolarHBondContact O-N 2.91Å
797	L	95.1	Very high	92.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-44.8	179	175.9	65.5	0	0	0	112	L581 I584 V642 Y778 V781 L785 L787 Y792 T793 A794 D795 N799 L801	L581-L797 HydrophobicContact CD2-CD2 4.49Å; I584-L797 HydrophobicContact CD1-CD2 4.43Å; V642-L797 HydrophobicContact CG1-CD1 4.49Å; Y778-L797 HydrophobicContact CE2-CD2 4.42Å; V781-L797 HydrophobicContact CG1-CD2 4.07Å; L785-L797 HydrophobicContact CD1-CD1 4.26Å; L785-L797 HydrophobicContact CD1-CD2 4.41Å; L787-L797 HydrophobicContact CD1-CD1 4.35Å; L787-L797 HydrophobicContact CD1-CD2 4.01Å; Y792-L797 HydrophobicContact CE1-CD1 4.04Å; Y792-L797 HydrophobicContact CE2-CB 3.95Å; Y792-L797 WeakPolarHBondContact OH-CD1 3.3Å; T793-L797 PolarHBondContact O-N 3.14Å; A794-L797 WeakPolarHBondContact O-CB 3.48Å; A794-L797 PolarHBondContact O-N 2.86Å; D795-L797 VanDerWaalsContact C-N 3.35Å; L797-N799 VanDerWaalsContact C-N 3.34Å; L797-L801 HydrophobicContact CD1-CD1 3.84Å; L797-L801 HydrophobicContact CD1-CG 4.16Å; L797-L801 HydrophobicContact CG-CD1 4.04Å; L797-L801 WeakPolarHBondContact O-CB 3.32Å; L797-L801 VanDerWaalsContact O-CG 3.31Å; L797-L801 WeakPolarHBondContact O-CG 3.4Å; L797-L801 PolarHBondContact O-N 2.84Å
798	F	95.7	Very high	92.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-40	175.5	-54.9	-40.3	0	0	0	111.5	A577 C580 L581 I584 L686 A689 Q690 Y693 A794 K802	A577-F798 HydrophobicContact CB-CE2 3.9Å; A577-F798 HydrophobicContact CB-CZ 3.98Å; C580-F798 HydrophobicContact CB-CD1 4.45Å; C580-F798 HydrophobicContact CB-CE1 3.94Å; C580-F798 HydrophobicContact CB-CZ 4.42Å; L581-F798 HydrophobicContact CD1-CZ 4.45Å; L581-F798 HydrophobicContact CD2-CE1 4Å; L581-F798 HydrophobicContact CD2-CZ 4.15Å; L581-F798 HydrophobicContact CG-CE1 4.08Å; L581-F798 HydrophobicContact CG-CZ 3.94Å; I584-F798 HydrophobicContact CD1-CD1 4.2Å; I584-F798 HydrophobicContact CD1-CE1 4.08Å; L686-F798 HydrophobicContact CD1-CB 4.13Å; L686-F798 HydrophobicContact CD1-CD1 4.38Å; A689-F798 HydrophobicContact CB-CD1 4.31Å; A689-F798 HydrophobicContact CB-CD2 3.88Å; A689-F798 HydrophobicContact CB-CE1 4.37Å; A689-F798 HydrophobicContact CB-CE2 3.96Å; A689-F798 HydrophobicContact CB-CG 4.09Å; A689-F798 HydrophobicContact CB-CZ 4.2Å; Q690-F798 HydrophobicContact CB-CB 3.98Å; Q690-F798 HydrophobicContact CG-CB 4.48Å; Y693-F798 HydrophobicContact CD1-CD2 4.47Å; Y693-F798 HydrophobicContact CD1-CE2 4.04Å; Y693-F798 HydrophobicContact CG-CE2 4.39Å; A794-F798 HydrophobicContact CB-CE2 4.11Å; A794-F798 HydrophobicContact CB-CZ 4.26Å; A794-F798 WeakPolarHBondContact O-CD2 3.32Å; A794-F798 WeakPolarHBondContact O-CG 3.49Å; A794-F798 PolarHBondContact O-N 3.18Å; F798-K802 VanDerWaalsContact O-CB 3.24Å; F798-K802 WeakPolarHBondContact O-CB 3.37Å; F798-K802 PolarHBondContact O-N 3.27Å
799	N	95.3	Very high	93.2	Very high	68 Å²	68	46.9 Å²	46.9	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-64.7	-46.1	176.8	-178.7	85.5	0	0	0	112.8	Q690 D795 E796 L797 K802 T803	Q690-N799 HydrophobicContact CG-CB 4.38Å; D795-N799 VanDerWaalsContact O-CB 3.32Å; D795-N799 WeakPolarHBondContact O-CB 3.1Å; D795-N799 PolarHBondContact O-N 3.04Å; E796-N799 PolarHBondContact O-N 3.25Å; L797-N799 VanDerWaalsContact C-N 3.34Å; N799-K802 PolarHBondContact O-N 2.99Å; N799-T803 WeakPolarHBondContact O-CB 3.42Å; N799-T803 PolarHBondContact O-N 2.89Å; N799-T803 PolarHBondContact O-OG1 3.47Å
800	D	95.5	Very high	93.5	Very high	25 Å²	25	48.2 Å²	48.2	13%	0.134	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-41.2	-179.7	-73.4	-20.5	0	0	0	111.2	R643 V646 Y792 E796 T803 F804	R643-D800 VanDerWaalsContact CG-OD2 3.24Å; R643-D800 WeakPolarHBondContact CG-OD2 3.46Å; R643-D800 IonicContact NE-OD2 3.04Å; R643-D800 PolarHBondContact NE-OD2 3.47Å; V646-D800 HydrophobicContact CG2-CB 4.17Å; V646-D800 VanDerWaalsContact CG2-O 3.26Å; V646-D800 WeakPolarHBondContact CG2-O 3.31Å; Y792-D800 PolarHBondContact OH-OD2 3.41Å; E796-D800 WeakPolarHBondContact O-CB 3.19Å; E796-D800 PolarHBondContact O-N 2.91Å; D800-T803 PolarHBondContact O-N 3.38Å; D800-F804 VanDerWaalsContact O-CB 3.32Å; D800-F804 WeakPolarHBondContact O-CB 3.15Å; D800-F804 PolarHBondContact O-N 3.06Å
801	L	94.9	Very high	93.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-39.9	174.8	-70.9	173.6	0	0	0	112.3	I584 L590 V642 L645 M683 L686 L797 F804 R805	I584-L801 HydrophobicContact CD1-CD1 3.67Å; I584-L801 HydrophobicContact CG1-CD1 4.04Å; L590-L801 HydrophobicContact CD1-CD2 4.48Å; V642-L801 HydrophobicContact CG1-CD2 4.33Å; L645-L801 HydrophobicContact CD1-CD2 4.37Å; M683-L801 HydrophobicContact CE-CD1 4.16Å; L686-L801 HydrophobicContact CD1-CB 4.22Å; L686-L801 HydrophobicContact CD2-CB 4.41Å; L797-L801 HydrophobicContact CD1-CD1 3.84Å; L797-L801 HydrophobicContact CD1-CG 4.16Å; L797-L801 HydrophobicContact CG-CD1 4.04Å; L797-L801 WeakPolarHBondContact O-CB 3.32Å; L797-L801 VanDerWaalsContact O-CG 3.31Å; L797-L801 WeakPolarHBondContact O-CG 3.4Å; L797-L801 PolarHBondContact O-N 2.84Å; L801-F804 PolarHBondContact O-N 2.56Å; L801-R805 WeakPolarHBondContact O-CB 3.25Å; L801-R805 PolarHBondContact O-N 3.33Å
802	K	94.9	Very high	93.9	Very high	39 Å²	39	38.2 Å²	38.2	17%	0.17	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-45.2	174.1	174.2	168.8	174.3	160.8	0	111.9	L686 D687 Q690 F798 N799 R805 E806	L686-K802 HydrophobicContact CD2-CB 4.21Å; L686-K802 HydrophobicContact CG-CB 4.34Å; D687-K802 WeakPolarHBondContact OD1-CD 3.5Å; D687-K802 WeakPolarHBondContact OD1-CE 3.49Å; D687-K802 IonicContact OD1-NZ 2.95Å; D687-K802 PolarHBondContact OD1-NZ 3.34Å; Q690-K802 HydrophobicContact CB-CD 4.17Å; Q690-K802 HydrophobicContact CG-CD 3.88Å; Q690-K802 VanDerWaalsContact OE1-CD 3.24Å; F798-K802 VanDerWaalsContact O-CB 3.24Å; F798-K802 WeakPolarHBondContact O-CB 3.37Å; F798-K802 PolarHBondContact O-N 3.27Å; N799-K802 PolarHBondContact O-N 2.99Å; K802-R805 WeakPolarHBondContact O-CB 3.38Å; K802-R805 PolarHBondContact O-N 2.84Å; K802-E806 PolarHBondContact O-N 3.06Å
803	T	95.6	Very high	93.8	Very high	47 Å²	47	42.9 Å²	42.9	29%	0.288	22%	0.215	S	C	.	.	H	α-helix	trans	-61.6	-44.8	176.6	-56.3	0	0	0	0	110.7	V646 N799 D800 E806 L807	V646-T803 HydrophobicContact CG1-CG2 3.81Å; V646-T803 HydrophobicContact CG2-CG2 4.27Å; N799-T803 WeakPolarHBondContact O-CB 3.42Å; N799-T803 PolarHBondContact O-N 2.89Å; N799-T803 PolarHBondContact O-OG1 3.47Å; D800-T803 PolarHBondContact O-N 3.38Å; T803-E806 PolarHBondContact O-N 3.06Å; T803-L807 HydrophobicContact CG2-CD1 4.16Å; T803-L807 WeakPolarHBondContact O-CG 3.2Å; T803-L807 PolarHBondContact O-N 3.05Å
804	F	95.5	Very high	93.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-42.3	175.6	175.1	-103.2	0	0	0	112.4	V593 L645 V646 I661 L664 W679 D800 L801 E806 L807 Y808	V593-F804 HydrophobicContact CG1-CE1 3.76Å; V593-F804 HydrophobicContact CG1-CZ 3.79Å; L645-F804 HydrophobicContact CB-CB 4.41Å; L645-F804 HydrophobicContact CB-CD2 3.78Å; L645-F804 HydrophobicContact CB-CE2 4.18Å; L645-F804 HydrophobicContact CB-CG 3.96Å; L645-F804 HydrophobicContact CD1-CD1 4.25Å; L645-F804 HydrophobicContact CD1-CE1 4.4Å; L645-F804 HydrophobicContact CD1-CG 4.47Å; L645-F804 HydrophobicContact CD2-CE2 4.37Å; L645-F804 HydrophobicContact CD2-CZ 4.4Å; L645-F804 WeakPolarHBondContact O-CD2 3.24Å; V646-F804 HydrophobicContact CG2-CB 4.19Å; I661-F804 HydrophobicContact CD1-CD2 4.29Å; I661-F804 HydrophobicContact CD1-CE2 4.26Å; I661-F804 HydrophobicContact CG1-CE2 4.49Å; L664-F804 HydrophobicContact CD2-CE2 4.12Å; L664-F804 HydrophobicContact CD2-CZ 3.83Å; W679-F804 AromaticContact CH2-CD1 3.69Å; W679-F804 HydrophobicContact CH2-CD1 3.69Å; W679-F804 AromaticContact CH2-CE1 3.97Å; W679-F804 HydrophobicContact CH2-CE1 3.97Å; W679-F804 AromaticContact CZ2-CD1 3.6Å; W679-F804 HydrophobicContact CZ2-CD1 3.6Å; W679-F804 AromaticContact CZ2-CE1 3.49Å; W679-F804 HydrophobicContact CZ2-CE1 3.49Å; W679-F804 VanDerWaalsContact CZ2-CE1 3.49Å; D800-F804 VanDerWaalsContact O-CB 3.32Å; D800-F804 WeakPolarHBondContact O-CB 3.15Å; D800-F804 PolarHBondContact O-N 3.06Å; L801-F804 PolarHBondContact O-N 2.56Å; F804-E806 VanDerWaalsContact C-N 3.32Å; F804-E806 PolarHBondContact O-N 3.41Å; F804-L807 PolarHBondContact O-N 3.34Å; F804-Y808 HydrophobicContact CE1-CD2 4.4Å; F804-Y808 HydrophobicContact CZ-CD2 4.03Å; F804-Y808 WeakPolarHBondContact O-CB 3.31Å; F804-Y808 PolarHBondContact O-N 3.42Å
805	R	94.3	Very high	92	Very high	39 Å²	39	50 Å²	50	15%	0.147	25%	0.249	C	C	.	.	H	α-helix	trans	-56.1	-44.4	173.6	179.3	-175.2	64.8	166.1	6.1	112.2	W679 F680 D687 L801 K802 Y808 R809	W679-R805 HydrophobicContact CH2-CB 3.66Å; W679-R805 HydrophobicContact CH2-CG 4.24Å; W679-R805 HydrophobicContact CZ2-CB 4.05Å; W679-R805 HydrophobicContact CZ2-CG 4.44Å; F680-R805 HydrophobicContact CB-CG 3.68Å; F680-R805 HydrophobicContact CG-CG 4.23Å; D687-R805 IonicContact OD1-CZ 2.71Å; D687-R805 IonicContact OD1-NH2 3.87Å; D687-R805 PolarHBondContact OD1-NH2 3.12Å; D687-R805 IonicContact OD2-CZ 3.38Å; D687-R805 IonicContact OD2-NH1 2.69Å; D687-R805 PolarHBondContact OD2-NH1 3.24Å; D687-R805 IonicContact OD2-NH2 3.71Å; D687-R805 PolarHBondContact OD2-NH2 3.46Å; L801-R805 WeakPolarHBondContact O-CB 3.25Å; L801-R805 PolarHBondContact O-N 3.33Å; K802-R805 WeakPolarHBondContact O-CB 3.38Å; K802-R805 PolarHBondContact O-N 2.84Å; R805-Y808 PolarHBondContact O-N 2.63Å; R805-R809 WeakPolarHBondContact O-CB 3.29Å; R805-R809 PolarHBondContact O-N 3.48Å
806	E	93.6	Very high	91.9	Very high	68 Å²	68	51 Å²	51	32%	0.318	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-41.1	176.9	-75.7	-174	-145.8	0	0	112.9	K802 T803 F804 K810	K802-E806 PolarHBondContact O-N 3.06Å; T803-E806 PolarHBondContact O-N 3.06Å; F804-E806 VanDerWaalsContact C-N 3.32Å; F804-E806 PolarHBondContact O-N 3.41Å; E806-K810 WeakPolarHBondContact O-CB 3.22Å; E806-K810 WeakPolarHBondContact O-CD 3.47Å; E806-K810 WeakPolarHBondContact O-CG 3.35Å; E806-K810 PolarHBondContact O-N 2.98Å; E806-K810 IonicContact OE2-NZ 2.77Å; E806-K810 PolarHBondContact OE2-NZ 3.19Å
807	L	94.3	Very high	91.8	Very high	48 Å²	48	50.3 Å²	50.3	25%	0.251	25%	0.251	S	S	.	.	H	α-helix	trans	-65.8	-39.9	175.9	-70.1	166.9	0	0	0	111.8	V646 A649 I661 T803 F804 A811	V646-L807 HydrophobicContact CG1-CD1 3.93Å; A649-L807 HydrophobicContact CB-CD1 4.17Å; A649-L807 HydrophobicContact CB-CD2 4.46Å; I661-L807 HydrophobicContact CD1-CB 3.79Å; I661-L807 HydrophobicContact CD1-CD1 4.24Å; T803-L807 HydrophobicContact CG2-CD1 4.16Å; T803-L807 WeakPolarHBondContact O-CG 3.2Å; T803-L807 PolarHBondContact O-N 3.05Å; F804-L807 PolarHBondContact O-N 3.34Å; L807-A811 WeakPolarHBondContact O-CB 3.47Å; L807-A811 PolarHBondContact O-N 3.32Å
808	Y	94	Very high	91.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-54.2	174.1	-170.4	-84.7	0	0	0	110.2	I661 L664 V665 M668 H677 W679 F804 R805 K810 A811 C812	I661-Y808 HydrophobicContact CG2-CD2 4.41Å; L664-Y808 HydrophobicContact CG-CE2 4.49Å; V665-Y808 HydrophobicContact CG2-CD1 4.34Å; V665-Y808 HydrophobicContact CG2-CD2 3.77Å; V665-Y808 HydrophobicContact CG2-CE1 4.18Å; V665-Y808 HydrophobicContact CG2-CE2 3.59Å; V665-Y808 HydrophobicContact CG2-CG 4.14Å; M668-Y808 HydrophobicContact CG-CE2 4.46Å; H677-Y808 PolarHBondContact CE1-OH 3.23Å; H677-Y808 VanDerWaalsContact CE1-OH 3.22Å; H677-Y808 PolarHBondContact ND1-OH 3.33Å; H677-Y808 AromaticContact NE2-CE1 3.75Å; W679-Y808 AromaticContact CD1-CE1 3.91Å; W679-Y808 HydrophobicContact CZ2-CG 4.38Å; W679-Y808 AromaticContact NE1-CD1 3.43Å; W679-Y808 AromaticContact NE1-CD2 3.79Å; W679-Y808 AromaticContact NE1-CE1 3.5Å; W679-Y808 AromaticContact NE1-CE2 3.85Å; W679-Y808 AromaticContact NE1-CG 3.6Å; W679-Y808 AromaticContact NE1-CZ 3.73Å; F804-Y808 HydrophobicContact CE1-CD2 4.4Å; F804-Y808 HydrophobicContact CZ-CD2 4.03Å; F804-Y808 WeakPolarHBondContact O-CB 3.31Å; F804-Y808 PolarHBondContact O-N 3.42Å; R805-Y808 PolarHBondContact O-N 2.63Å; Y808-K810 VanDerWaalsContact C-N 3.33Å; Y808-K810 PolarHBondContact O-N 3.15Å; Y808-A811 CarbonylContact O-C 3.57Å; Y808-A811 WeakPolarHBondContact O-CA 3.38Å; Y808-A811 WeakPolarHBondContact O-CB 3.21Å; Y808-A811 PolarHBondContact O-N 3.23Å; Y808-C812 VanDerWaalsContact CE1-SG 3.52Å; Y808-C812 PolarHBondContact O-N 2.73Å; Y808-C812 PolarHBondContact O-SG 2.77Å
809	R	92.4	Very high	91.3	Very high	151 Å²	151	56.2 Å²	56.2	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-57.5	-42.3	177.6	-171.8	177.5	68.8	159.4	-0.4	112.6	R805 A811 C812 T813	R805-R809 WeakPolarHBondContact O-CB 3.29Å; R805-R809 PolarHBondContact O-N 3.48Å; R809-A811 VanDerWaalsContact C-N 3.3Å; R809-A811 PolarHBondContact O-N 3.37Å; R809-C812 WeakPolarHBondContact O-CB 3.32Å; R809-C812 PolarHBondContact O-N 3.06Å; R809-T813 PolarHBondContact O-N 2.79Å; R809-T813 PolarHBondContact O-OG1 3.42Å
810	K	92.5	Very high	91.1	Very high	113 Å²	113	55.5 Å²	55.5	49%	0.491	28%	0.276	S	S	.	.	H	α-helix	trans	-61.4	-36.8	175.4	-75.4	163	-175.7	158.9	0	111.9	E806 Y808 T813 S814	E806-K810 WeakPolarHBondContact O-CB 3.22Å; E806-K810 WeakPolarHBondContact O-CD 3.47Å; E806-K810 WeakPolarHBondContact O-CG 3.35Å; E806-K810 PolarHBondContact O-N 2.98Å; E806-K810 IonicContact OE2-NZ 2.77Å; E806-K810 PolarHBondContact OE2-NZ 3.19Å; Y808-K810 VanDerWaalsContact C-N 3.33Å; Y808-K810 PolarHBondContact O-N 3.15Å; K810-T813 WeakPolarHBondContact CA-OG1 3.37Å; K810-T813 PolarHBondContact O-OG1 3.04Å; K810-S814 VanDerWaalsContact O-CB 3.31Å; K810-S814 WeakPolarHBondContact O-CB 3.4Å; K810-S814 PolarHBondContact O-N 3.37Å
811	A	92	Very high	90.8	Very high	2 Å²	2	57.5 Å²	57.5	2%	0.017	29%	0.285	C	S	.	.	H	α-helix	trans	-74.3	-31.4	175.5	0	0	0	0	0	113.3	I661 V665 L807 Y808 R809 S814	I661-A811 HydrophobicContact CG2-CB 4Å; V665-A811 HydrophobicContact CG2-CB 4.01Å; L807-A811 WeakPolarHBondContact O-CB 3.47Å; L807-A811 PolarHBondContact O-N 3.32Å; Y808-A811 CarbonylContact O-C 3.57Å; Y808-A811 WeakPolarHBondContact O-CA 3.38Å; Y808-A811 WeakPolarHBondContact O-CB 3.21Å; Y808-A811 PolarHBondContact O-N 3.23Å; R809-A811 VanDerWaalsContact C-N 3.3Å; R809-A811 PolarHBondContact O-N 3.37Å; A811-S814 PolarHBondContact O-N 2.96Å
812	C	89.3	Confident	90.5	Very high	35 Å²	35	61.5 Å²	61.5	24%	0.236	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-44.8	168.9	-55.3	0	0	0	0	111.4	V665 H677 Y808 R809 S814	V665-C812 HydrophobicContact CG1-CB 4.43Å; H677-C812 PolarHBondContact NE2-SG 3.22Å; Y808-C812 VanDerWaalsContact CE1-SG 3.52Å; Y808-C812 PolarHBondContact O-N 2.73Å; Y808-C812 PolarHBondContact O-SG 2.77Å; R809-C812 WeakPolarHBondContact O-CB 3.32Å; R809-C812 PolarHBondContact O-N 3.06Å; C812-S814 PolarHBondContact O-N 2.85Å
813	T	88.5	Confident	90.2	Very high	112 Å²	112	63.2 Å²	63.2	69%	0.687	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.2	179.6	54	0	0	0	0	114.6	R809 K810	R809-T813 PolarHBondContact O-N 2.79Å; R809-T813 PolarHBondContact O-OG1 3.42Å; K810-T813 WeakPolarHBondContact CA-OG1 3.37Å; K810-T813 PolarHBondContact O-OG1 3.04Å
814	S	82.7	Confident	89.7	Confident	72 Å²	72	64.6 Å²	64.6	50%	0.503	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	22.6	-178.8	-172.8	0	0	0	0	112.4	K810 A811 C812	K810-S814 VanDerWaalsContact O-CB 3.31Å; K810-S814 WeakPolarHBondContact O-CB 3.4Å; K810-S814 PolarHBondContact O-N 3.37Å; A811-S814 PolarHBondContact O-N 2.96Å; C812-S814 PolarHBondContact O-N 2.85Å
815	K	67.2	Low	89.2	Confident	135 Å²	135	70.5 Å²	70.5	59%	0.587	35%	0.346	S	S	*	.			trans	-91	0	168.8	-75.7	-175.4	163.7	-178.6	0	110.6	V665 E669	V665-K815 HydrophobicContact CG1-CD 4.36Å; E669-K815 IonicContact OE1-NZ 2.73Å; E669-K815 PolarHBondContact OE1-NZ 2.68Å; E669-K815 IonicContact OE2-NZ 3.29Å; E669-K815 PolarHBondContact OE2-NZ 2.81Å

Retrieved 815 of 815 residues in 190.4 ms (Link to these results)

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