G4VS85_SCHMA Loading...

Glycine cleavage system P protein

The glycine cleavage system catalyzes the degradation of glycine.

AlphaFold DB , UniProt , Accession G4VS85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,040 aa.

						>G4VS85_SCHMA|G4VS85
MLWSLLSSFHRNRFHCNFVQTLCHQHDLLGIRVMPSCSRLRMRSLSNGSNIFSIDEKPEAPEADFVHRHIGPSEKDINHMLQFCGFNKIEDFISKVIPDSILLQRDLKLENETSEAELIRRLKLLMNKNEVWRSYIGQGYYGTITPSTILRNIFENPGWYTSYTPYQPEISQGRLESLFNYQTMISDLTGLARANASLLDEGTASAEAMCLAVRYTNRKRFLLDRRCHPQTINVVTSRAKNLSIEIVVISIDNVDHAKEIISTGQFSGYLLQYPDTEGNIWDDKIRAVAEVTKSNKTLLITATDLLALTLIESPDSLGADIAVGSSQRFGIPMGFGGPHAAFISSTEALTRLLPGRIVGLSKDAMNKPAYRLALQTREQHIRRDKATSNICTAQALLANMAAFYAVYHGPEGLKRIASRIHRNTLRLVSALENAGYKIANQTAVFDTIKVLPNSKQNCLQSIQRKAFEKRVNLLYYPDGGAVGLSIDETLTSEDFNDLMYIFGATRVKPKEHSIFAINRYTNLMRKHSYLTHPVFNSFHSETELLRYMKKLENKDISLAHSMIPLGSCTMKLNGTTELLACSWDHVNKLHPFVPKKQVTGYLELIAQLENDIKEITGYDYVCLAPNSGAQGEYAGLKAIKGYLDRKGEHKRTICLIPTSAHGTNPASAQMAGMTVKHVKTTSTGSLDMNHLEEQTSLYKDHLAAIMITYPSTFGVFDSNVQKVCEIIHEAGGQVFMDGANLNAQVGLCRPADIGSDVSHINLHKTFSIPHGGGGPGCGPVCVKSHLAPFLPQHYLYGYTCVSLPDHKMNIENKSSDHYAICSAPYGSASLLPISWAYMRLLGPKGLKRASQTALLNANYMLKRLRDYYNIHYVNSAGMCAHEFIIDCSQFSKQNIDVIDIAKRLMDYGFHSPTMSWPVTSSLMIEPTESESKAECDRLCEALILIRGEIDKVTKGEWDIECNPLKMAPHTMETVMDSKWDRPYTRQVAAFPAPWQNMKDESVSKRSKLWPTVSRLDDVYGDQHLICTCSSLLENETNSKL
					

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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	35.9	Very low	36.1	Very low	241 Å²	241	159.5 Å²	159.5	100%	1.187	80%	0.804	S	S	*	*				0	107.3	0	-65.8	177	-161.7	0	0	107
2	L	34.8	Very low	36.1	Very low	169 Å²	169	157.8 Å²	157.8	89%	0.885	80%	0.799	S	S	*	*			cis	-139.6	115.9	-3.5	-85.5	106.4	0	0	0	104
3	W	28.8	Very low	36	Very low	224 Å²	224	161.7 Å²	161.7	85%	0.848	80%	0.798	S	S	*	*				55	96.1	75.1	-98.8	51.5	0	0	0	117	L5	W3-L5 HydrophobicContact CD2-CD1 4.34Å; W3-L5 HydrophobicContact CE3-CD1 3.57Å; W3-L5 HydrophobicContact CE3-CG 4.36Å; W3-L5 HydrophobicContact CH2-CD1 4.47Å; W3-L5 HydrophobicContact CZ3-CD1 3.66Å
4	S	45.3	Very low	36.1	Very low	118 Å²	118	162.8 Å²	162.8	83%	0.825	80%	0.797	S	S	*	*			trans	-166.8	96.2	136.6	57.1	0	0	0	0	109.2
5	L	38	Very low	36.1	Very low	114 Å²	114	163.3 Å²	163.3	60%	0.597	80%	0.796	S	S	*	*				69.6	100.6	77.5	-76.6	166	0	0	0	116.3	W3	W3-L5 HydrophobicContact CD2-CD1 4.34Å; W3-L5 HydrophobicContact CE3-CD1 3.57Å; W3-L5 HydrophobicContact CE3-CG 4.36Å; W3-L5 HydrophobicContact CH2-CD1 4.47Å; W3-L5 HydrophobicContact CZ3-CD1 3.66Å
6	L	34	Very low	36	Very low	152 Å²	152	160.6 Å²	160.6	80%	0.796	80%	0.797	S	S	*	*				42.5	115.4	126.8	-64.2	170.2	0	0	0	119.6
7	S	35.7	Very low	35.9	Very low	117 Å²	117	159.3 Å²	159.3	82%	0.818	79%	0.794	S	S	*	*				149.4	143.2	102.8	62.4	0	0	0	0	114.5
8	S	36.4	Very low	35.8	Very low	100 Å²	100	160.3 Å²	160.3	70%	0.699	79%	0.793	S	S	*	*			trans	83.9	102.4	140.3	179.5	0	0	0	0	122.1
9	F	34.8	Very low	35.6	Very low	181 Å²	181	157.5 Å²	157.5	79%	0.794	79%	0.785	S	S	*	*			trans	68.5	119.8	131.4	-82.5	-97.2	0	0	0	122.9
10	H	36.8	Very low	35.4	Very low	140 Å²	140	157.7 Å²	157.7	65%	0.648	78%	0.784	S	S	*	*			trans	107.6	110.9	133.4	-92.7	6.8	0	0	0	121.9
11	R	36.3	Very low	35.3	Very low	198 Å²	198	155.6 Å²	155.6	75%	0.747	78%	0.78	S	S	*	*			trans	73.7	108.1	139.4	-64.1	-178	-171.5	-151	1.9	119.3
12	N	36.6	Very low	35.2	Very low	139 Å²	139	151.2 Å²	151.2	74%	0.743	76%	0.76	S	S	*	*				177.7	126	92.4	-94.3	-34.1	0	0	0	114.2
13	R	34.7	Very low	35.1	Very low	209 Å²	209	148.1 Å²	148.1	79%	0.789	75%	0.751	S	S	*	*			trans	38	120.3	139.4	-62.7	-177.2	174.2	-166.4	-3	121.2
14	F	37.2	Very low	35.5	Very low	177 Å²	177	145.4 Å²	145.4	78%	0.776	75%	0.748	S	S	*	*				176.8	107.7	97.2	-101.3	-83.8	0	0	0	109.4
15	H	35.8	Very low	35.1	Very low	171 Å²	171	146.7 Å²	146.7	79%	0.792	74%	0.741	S	S	*	*				51.8	132.7	118	-73.3	-39	0	0	0	116.7
16	C	35.5	Very low	35.1	Very low	120 Å²	120	148 Å²	148	81%	0.811	74%	0.743	S	S	*	*			cis	-157	152.8	24.4	-147.7	0	0	0	0	113.1
17	N	34.3	Very low	35.3	Very low	138 Å²	138	146.3 Å²	146.3	74%	0.738	74%	0.736	S	S	*	*			trans	-82.1	175.2	-178	-86.5	-22.5	0	0	0	111.5
18	F	33.8	Very low	35.3	Very low	178 Å²	178	147 Å²	147	78%	0.781	73%	0.729	S	S	*	*			cis	-172.5	166	23.1	-144	-131.1	0	0	0	111.9
19	V	31.1	Very low	35.3	Very low	106 Å²	106	149.7 Å²	149.7	64%	0.642	74%	0.735	S	S	*	*			trans	-115.8	138.8	171.6	162.7	0	0	0	0	109
20	Q	31.3	Very low	35.4	Very low	162 Å²	162	144.1 Å²	144.1	76%	0.757	73%	0.729	S	S	*	*			trans	68	137.9	151.1	-78.4	172.4	-28.9	0	0	125.3
21	T	34.4	Very low	35.4	Very low	114 Å²	114	144.6 Å²	144.6	70%	0.699	73%	0.734	S	S	*	*			trans	100.9	117.6	131	26.6	0	0	0	0	124.2
22	L	34.1	Very low	35.3	Very low	148 Å²	148	146.2 Å²	146.2	78%	0.775	74%	0.74	S	S	*	*				73	115	129.1	-79.1	158.2	0	0	0	124
23	C	32.9	Very low	35.3	Very low	104 Å²	104	144.5 Å²	144.5	70%	0.703	74%	0.735	S	S	*	*				53.9	125.1	129.5	-74.4	0	0	0	0	125.3
24	H	36.5	Very low	35.3	Very low	167 Å²	167	142.5 Å²	142.5	77%	0.773	74%	0.736	S	S	*	*			trans	137.2	110.5	134.5	-85	-62.6	0	0	0	111.5
25	Q	36	Very low	35.6	Very low	145 Å²	145	139.3 Å²	139.3	68%	0.678	73%	0.733	S	S	*	*				87.1	122.5	76.2	-107.7	-167.1	-37.9	0	0	115.7
26	H	38	Very low	35.8	Very low	141 Å²	141	136.4 Å²	136.4	65%	0.653	73%	0.733	S	S	*	*			trans	62.6	146.8	157.1	-68.7	-83.9	0	0	0	118.3
27	D	38.6	Very low	35.8	Very low	118 Å²	118	136.8 Å²	136.8	63%	0.631	74%	0.735	S	S	*	*			cis	-168.7	151.9	-2.2	-116.2	-13.7	0	0	0	109.7
28	L	35.7	Very low	35.9	Very low	130 Å²	130	135 Å²	135	68%	0.681	73%	0.734	S	S	*	*			trans	71.2	124	133.2	-66.6	164.9	0	0	0	125.2
29	L	37.9	Very low	36	Very low	158 Å²	158	138.1 Å²	138.1	83%	0.827	74%	0.74	S	S	*	*			trans	83.3	126.8	131	-67.3	163.1	0	0	0	121.7
30	G	35.7	Very low	36.2	Very low	64 Å²	64	141.1 Å²	141.1	66%	0.66	75%	0.752	S	S	*	*			trans	146.5	70.8	140.1	0	0	0	0	0	120.9
31	I	36.3	Very low	36.2	Very low	149 Å²	149	145.2 Å²	145.2	76%	0.764	76%	0.76	S	S	*	*				61.3	109.2	123.1	-62.8	174.5	0	0	0	119.8
32	R	35	Very low	36.4	Very low	232 Å²	232	148.6 Å²	148.6	88%	0.875	77%	0.77	S	S	*	*				66.7	146.6	111.7	-73.9	-169.5	164.1	178.5	-1.1	117.4
33	V	36	Very low	36.5	Very low	103 Å²	103	153 Å²	153	62%	0.624	78%	0.777	S	S	*	*			cis	-178.5	141.6	15.8	121.9	0	0	0	0	111.6
34	M	36	Very low	36.4	Very low	167 Å²	167	153.5 Å²	153.5	82%	0.823	78%	0.781	S	S	*	*			trans	74.5	168	136.9	-75.9	-168.8	-179.6	0	0	123.3
35	P	43.4	Very low	36.3	Very low	110 Å²	110	153.6 Å²	153.6	71%	0.714	79%	0.787	S	S	*	*				-143.9	-176.2	-73.7	40.3	-17.6	0	0	0	114.1
36	S	39.6	Very low	36.2	Very low	111 Å²	111	151.7 Å²	151.7	78%	0.776	79%	0.789	S	S	*	*			trans	142.6	136.8	133.3	67.9	0	0	0	0	117.3
37	C	34.8	Very low	36.3	Very low	127 Å²	127	153.1 Å²	153.1	86%	0.858	80%	0.802	S	S	*	*			trans	61.3	138.1	156.2	-84	0	0	0	0	120.2
38	S	37.7	Very low	36.2	Very low	102 Å²	102	150.7 Å²	150.7	71%	0.713	80%	0.804	S	S	*	*			cis	-170.9	143.3	13.1	44.1	0	0	0	0	112.5
39	R	34.3	Very low	36.9	Very low	243 Å²	243	149 Å²	149	92%	0.917	80%	0.804	S	S	*	*			trans	52.3	111.6	147	-65.9	-178.9	-178.1	-178.1	1.7	121.1
40	L	35.2	Very low	37.3	Very low	169 Å²	169	147.4 Å²	147.4	89%	0.885	80%	0.796	S	S	*	*			trans	-152.8	126	136	-113.7	133.6	0	0	0	111
41	R	31.8	Very low	38.6	Very low	247 Å²	247	150.6 Å²	150.6	93%	0.932	80%	0.796	S	S	*	*			trans	-73.5	124.8	173.6	-82.7	178.4	170.8	-179.3	-3.3	109.1
42	M	38.8	Very low	39.6	Very low	185 Å²	185	152.9 Å²	152.9	91%	0.911	80%	0.801	S	S	*	*			trans	-138.7	147.6	156.1	-104.4	-162.8	-81	0	0	111.1
43	R	35.3	Very low	40.8	Very low	241 Å²	241	145.2 Å²	145.2	91%	0.909	78%	0.783	S	S	*	*			trans	-64	153	-164.5	-70.3	170.9	168.6	176.6	-5.2	113.5	L45	R43-L45 PolarHBondContact O-N 3.41Å
44	S	31.6	Very low	42.2	Very low	114 Å²	114	148.2 Å²	148.2	80%	0.797	79%	0.794	S	S	*	*			trans	-53.4	115.9	-178.2	55.4	0	0	0	0	114.3
45	L	34.5	Very low	43.6	Very low	170 Å²	170	145.8 Å²	145.8	89%	0.89	78%	0.784	S	S	*	*			trans	-110.1	87.9	154.1	-79.4	161.2	0	0	0	106.6	R43 N47	R43-L45 PolarHBondContact O-N 3.41Å; L45-N47 PolarHBondContact O-N 2.77Å
46	S	34.2	Very low	44.9	Very low	105 Å²	105	149.9 Å²	149.9	73%	0.734	79%	0.794	S	S	*	*			trans	-86.1	85.4	172.7	55.9	0	0	0	0	109
47	N	39.4	Very low	46.5	Very low	171 Å²	171	152.2 Å²	152.2	91%	0.914	79%	0.79	S	S	*	*			trans	-174.4	60.9	148.4	-92.1	-5.6	0	0	0	106.6	L45	L45-N47 PolarHBondContact O-N 2.77Å
48	G	37.6	Very low	48.5	Very low	66 Å²	66	152.2 Å²	152.2	68%	0.68	79%	0.788	S	S	*	*			trans	-99.2	119.7	168.7	0	0	0	0	0	108
49	S	48.7	Very low	50.2	Low	96 Å²	96	156.1 Å²	156.1	67%	0.671	80%	0.795	S	S	*	*			trans	-33	135.4	167.2	47.8	0	0	0	0	113	I51	S49-I51 PolarHBondContact O-N 2.88Å
50	N	46.8	Very low	52.3	Low	123 Å²	123	148.6 Å²	148.6	66%	0.658	79%	0.786	S	S	*	*			trans	-69.8	70.4	-179.2	-152.8	12.3	0	0	0	111.1	F52 S53	N50-F52 PolarHBondContact O-N 3.35Å; N50-S53 PolarHBondContact ND2-OG 2.9Å; N50-S53 PolarHBondContact O-N 3Å
51	I	62.7	Low	54.6	Low	131 Å²	131	145 Å²	145	67%	0.672	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-10.9	178.5	-72	168.9	0	0	0	112.1	S49	S49-I51 PolarHBondContact O-N 2.88Å
52	F	58.3	Low	57.2	Low	197 Å²	197	140.6 Å²	140.6	86%	0.864	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-2.6	-173.9	-64.1	-73.9	0	0	0	115.3	N50	N50-F52 PolarHBondContact O-N 3.35Å
53	S	60.6	Low	59.6	Low	72 Å²	72	133.4 Å²	133.4	50%	0.503	73%	0.732	S	S	.	*			trans	-115.2	98.4	171.4	66.9	0	0	0	0	110.4	N50 D55	N50-S53 PolarHBondContact ND2-OG 2.9Å; N50-S53 PolarHBondContact O-N 3Å; S53-D55 PolarHBondContact O-N 3.43Å
54	I	65.1	Low	62.3	Low	165 Å²	165	123.7 Å²	123.7	85%	0.846	70%	0.698	S	S	*	*			trans	-82.6	103.9	168.8	-62.1	169.9	0	0	0	106.2
55	D	65.3	Low	65.4	Low	116 Å²	116	118.5 Å²	118.5	62%	0.62	66%	0.661	S	S	*	*			trans	-68.2	143.1	165.2	-162	-20.4	0	0	0	108.3	S53 K57	S53-D55 PolarHBondContact O-N 3.43Å; D55-K57 PolarHBondContact O-N 3.47Å
56	E	71.5	Confident	68.4	Low	197 Å²	197	111.6 Å²	111.6	92%	0.921	63%	0.626	S	S	*	*	S	Bend	trans	-67.6	-20.1	-179.7	-73	-174.3	167.5	0	0	111.9
57	K	71.7	Confident	71.3	Confident	159 Å²	159	112.7 Å²	112.7	69%	0.691	62%	0.619	S	S	*	*	S	Bend	trans	-83.7	133.1	178.6	-70.6	-178.5	-179	174.7	0	111.2	D55 E59	D55-K57 PolarHBondContact O-N 3.47Å; K57-E59 PolarHBondContact O-N 2.92Å
58	P	76.8	Confident	74.1	Confident	127 Å²	127	112.1 Å²	112.1	83%	0.825	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-62.6	137.1	171.7	26.7	-32.9	0	0	0	110.5
59	E	74.5	Confident	77	Confident	184 Å²	184	109 Å²	109	86%	0.86	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-76.4	126.7	175.2	-66.2	178.9	174.8	0	0	110	K57	K57-E59 PolarHBondContact O-N 2.92Å
60	A	77	Confident	79.3	Confident	86 Å²	86	105 Å²	105	71%	0.711	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-77.7	155	170.8	0	0	0	0	0	110.2	E62	A60-E62 PolarHBondContact O-N 3.38Å
61	P	83.4	Confident	81.8	Confident	92 Å²	92	100.5 Å²	100.5	60%	0.597	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-54.9	133.9	170.3	-22.7	32.8	0	0	0	111	S114	P61-S114 WeakPolarHBondContact O-CB 3.48Å
62	E	86.7	Confident	83.5	Confident	155 Å²	155	94.5 Å²	94.5	72%	0.724	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-62.9	143.5	-178.9	-169.6	174.2	-172.2	0	0	111.7	A60 D64 S114	A60-E62 PolarHBondContact O-N 3.38Å; E62-D64 VanDerWaalsContact C-N 3.34Å; E62-D64 PolarHBondContact O-N 3.47Å; E62-D64 VanDerWaalsContact O-N 3.15Å; E62-S114 WeakPolarHBondContact O-CB 3.25Å
63	A	90.5	Very high	85.3	Confident	34 Å²	34	87.8 Å²	87.8	28%	0.281	47%	0.472	S	S	.	.			trans	-83.6	78	172.7	0	0	0	0	0	109.9	E112	A63-E112 HydrophobicContact CB-CB 4.27Å; A63-E112 HydrophobicContact CB-CG 3.74Å
64	D	91.5	Very high	87.1	Confident	38 Å²	38	88.6 Å²	88.6	20%	0.203	47%	0.469	C	S	.	.			trans	-97.8	2.3	-172.7	75.1	-29	0	0	0	114.3	E62 V66 H67 R68	E62-D64 VanDerWaalsContact C-N 3.34Å; E62-D64 PolarHBondContact O-N 3.47Å; E62-D64 VanDerWaalsContact O-N 3.15Å; D64-V66 PolarHBondContact O-N 2.94Å; D64-V66 VanDerWaalsContact O-N 3.13Å; D64-H67 WeakPolarHBondContact O-CB 3.48Å; D64-H67 PolarHBondContact O-N 3.37Å; D64-R68 IonicContact OD2-CZ 3.54Å; D64-R68 IonicContact OD2-NE 3.77Å; D64-R68 PolarHBondContact OD2-NE 3.44Å; D64-R68 VanDerWaalsContact OD2-NE 3.08Å; D64-R68 IonicContact OD2-NH2 2.78Å; D64-R68 PolarHBondContact OD2-NH2 3.14Å
65	F	97.3	Very high	88.6	Confident	5 Å²	5	89 Å²	89	2%	0.022	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-29.9	-173.8	-172	-103	0	0	0	113.5	H67 R68 H69 E115 L572 E577 L840 L841	F65-H67 PolarHBondContact O-N 2.98Å; F65-R68 HydrophobicContact CD2-CB 4.25Å; F65-R68 WeakPolarHBondContact O-CA 3.4Å; F65-R68 WeakPolarHBondContact O-CB 3.31Å; F65-R68 PolarHBondContact O-N 3.49Å; F65-H69 HydrophobicContact CD1-CB 4.16Å; F65-H69 HydrophobicContact CE1-CB 3.83Å; F65-H69 HydrophobicContact CZ-CB 4.31Å; F65-H69 PolarHBondContact O-N 3.37Å; F65-E115 HydrophobicContact CB-CG 4.38Å; F65-E115 HydrophobicContact CD2-CG 3.91Å; F65-L572 HydrophobicContact CZ-CD2 4.49Å; F65-E577 WeakPolarHBondContact CE1-OE1 3.2Å; F65-E577 HydrophobicContact CZ-CG 4.32Å; F65-E577 WeakPolarHBondContact CZ-OE1 3.42Å; F65-L840 HydrophobicContact CB-CB 4.04Å; F65-L840 HydrophobicContact CB-CD2 4.18Å; F65-L840 HydrophobicContact CD1-CB 3.38Å; F65-L840 HydrophobicContact CD1-CD1 3.85Å; F65-L840 HydrophobicContact CD1-CG 4.15Å; F65-L840 HydrophobicContact CD2-CD1 4.03Å; F65-L840 HydrophobicContact CE1-CB 3.95Å; F65-L840 HydrophobicContact CE1-CD1 3.8Å; F65-L840 HydrophobicContact CE2-CD1 4Å; F65-L840 HydrophobicContact CG-CB 3.79Å; F65-L840 HydrophobicContact CG-CD1 3.94Å; F65-L840 HydrophobicContact CG-CD2 4.24Å; F65-L840 HydrophobicContact CG-CG 4.21Å; F65-L840 HydrophobicContact CZ-CD1 3.88Å; F65-L841 HydrophobicContact CD1-CD2 3.8Å; F65-L841 HydrophobicContact CD1-CG 4.29Å; F65-L841 HydrophobicContact CE1-CD2 4.29Å
66	V	97.1	Very high	90.2	Very high	24 Å²	24	85.7 Å²	85.7	15%	0.145	45%	0.446	C	S	.	.	H	α-helix	trans	-54.6	-40.6	174.2	-179.4	0	0	0	0	111.3	D64 R68 I70 L841	D64-V66 PolarHBondContact O-N 2.94Å; D64-V66 VanDerWaalsContact O-N 3.13Å; V66-R68 VanDerWaalsContact C-N 3.28Å; V66-R68 PolarHBondContact O-N 3.05Å; V66-I70 HydrophobicContact CG1-CD1 3.86Å; V66-I70 HydrophobicContact CG1-CG1 4.5Å; V66-I70 WeakPolarHBondContact O-CB 3.24Å; V66-I70 WeakPolarHBondContact O-CG1 3.45Å; V66-I70 PolarHBondContact O-N 3.49Å; V66-L841 HydrophobicContact CB-CD2 4.25Å; V66-L841 HydrophobicContact CG2-CD2 3.79Å
67	H	95.3	Very high	91.5	Very high	128 Å²	128	76.3 Å²	76.3	59%	0.593	40%	0.403	S	S	*	.	H	α-helix	trans	-78.7	-9.4	178.3	-59.7	-58.1	0	0	0	113.8	D64 F65	D64-H67 WeakPolarHBondContact O-CB 3.48Å; D64-H67 PolarHBondContact O-N 3.37Å; F65-H67 PolarHBondContact O-N 2.98Å
68	R	97	Very high	92.7	Very high	159 Å²	159	72.5 Å²	72.5	60%	0.6	39%	0.39	S	S	*	.	H	α-helix	trans	-92.6	-38.4	172.3	-50.9	-56.7	178.2	-178	-2.4	111.3	D64 F65 V66	D64-R68 IonicContact OD2-CZ 3.54Å; D64-R68 IonicContact OD2-NE 3.77Å; D64-R68 PolarHBondContact OD2-NE 3.44Å; D64-R68 VanDerWaalsContact OD2-NE 3.08Å; D64-R68 IonicContact OD2-NH2 2.78Å; D64-R68 PolarHBondContact OD2-NH2 3.14Å; F65-R68 HydrophobicContact CD2-CB 4.25Å; F65-R68 WeakPolarHBondContact O-CA 3.4Å; F65-R68 WeakPolarHBondContact O-CB 3.31Å; F65-R68 PolarHBondContact O-N 3.49Å; V66-R68 VanDerWaalsContact C-N 3.28Å; V66-R68 PolarHBondContact O-N 3.05Å
69	H	98.3	Very high	93.8	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-77.8	-37.6	-178.5	-172	80.1	0	0	0	113	F65 L572 Y837 L841 E928 S929	F65-H69 HydrophobicContact CD1-CB 4.16Å; F65-H69 HydrophobicContact CE1-CB 3.83Å; F65-H69 HydrophobicContact CZ-CB 4.31Å; F65-H69 PolarHBondContact O-N 3.37Å; H69-L572 HydrophobicContact CB-CD2 4.43Å; H69-Y837 AromaticContact CE1-CE2 3.55Å; H69-Y837 AromaticContact NE2-CE2 3.62Å; H69-L841 HydrophobicContact CB-CD2 4.05Å; H69-E928 IonicContact CD2-OE1 3.38Å; H69-E928 IonicContact CE1-OE1 2.68Å; H69-E928 IonicContact NE2-OE1 2.91Å; H69-E928 PolarHBondContact NE2-OE1 2.67Å; H69-S929 PolarHBondContact NE2-OG 3.33Å; H69-S929 WeakPolarHBondContact O-CA 3.34Å; H69-S929 WeakPolarHBondContact O-CB 3.42Å; H69-S929 PolarHBondContact O-OG 3.31Å
70	I	98.6	Very high	94.9	Very high	13 Å²	13	62 Å²	62	7%	0.067	33%	0.329	C	S	.	.			trans	-91.6	118.8	178.9	-60.6	-177.9	0	0	0	109.1	V66 R848 A849 T852 E928	V66-I70 HydrophobicContact CG1-CD1 3.86Å; V66-I70 HydrophobicContact CG1-CG1 4.5Å; V66-I70 WeakPolarHBondContact O-CB 3.24Å; V66-I70 WeakPolarHBondContact O-CG1 3.45Å; V66-I70 PolarHBondContact O-N 3.49Å; I70-R848 HydrophobicContact CD1-CB 4.02Å; I70-R848 HydrophobicContact CD1-CG 3.55Å; I70-A849 HydrophobicContact CD1-CB 4.42Å; I70-T852 HydrophobicContact CG2-CG2 3.76Å; I70-E928 WeakPolarHBondContact CA-O 3.41Å; I70-E928 HydrophobicContact CG1-CG 4.41Å
71	G	98.2	Very high	95.9	Very high	28 Å²	28	58 Å²	58	29%	0.289	30%	0.296	S	S	.	.			trans	-69.5	-48	-173.4	0	0	0	0	0	114.6	E928 S929	G71-E928 PolarHBondContact N-O 3Å; G71-S929 VanDerWaalsContact CA-O 3.25Å; G71-S929 WeakPolarHBondContact CA-O 3.47Å
72	P	98.4	Very high	96.6	Very high	6 Å²	6	59.5 Å²	59.5	4%	0.039	30%	0.295	C	S	.	.	S	Bend	trans	-70	130.7	179.3	-21.2	34.6	0	0	0	111.7	D76 I77 M80 T852 N856 E928 E930	P72-D76 HydrophobicContact CB-CB 3.97Å; P72-I77 HydrophobicContact CB-CG1 3.86Å; P72-M80 HydrophobicContact CB-SD 4.29Å; P72-M80 HydrophobicContact CG-SD 4.43Å; P72-T852 HydrophobicContact CG-CG2 3.88Å; P72-N856 WeakPolarHBondContact CG-OD1 3.25Å; P72-E928 WeakPolarHBondContact CD-O 3.45Å; P72-E930 VanDerWaalsContact CD-O 3.25Å; P72-E930 WeakPolarHBondContact CD-O 3.15Å; P72-E930 WeakPolarHBondContact CG-O 3.31Å
73	S	97.5	Very high	97.2	Very high	55 Å²	55	55.8 Å²	55.8	39%	0.385	28%	0.277	S	S	.	.			trans	-67.7	164.1	171.7	69.4	0	0	0	0	111.4	K75 D76 I77	S73-K75 PolarHBondContact O-N 3.02Å; S73-K75 VanDerWaalsContact O-N 3.15Å; S73-D76 WeakPolarHBondContact CB-OD2 3.47Å; S73-D76 PolarHBondContact N-OD2 2.84Å; S73-D76 VanDerWaalsContact N-OD2 3.17Å; S73-D76 WeakPolarHBondContact O-CA 3.4Å; S73-D76 WeakPolarHBondContact O-CB 3.29Å; S73-D76 PolarHBondContact O-N 3.04Å; S73-D76 VanDerWaalsContact OG-CG 3.24Å; S73-D76 PolarHBondContact OG-N 3.31Å; S73-D76 PolarHBondContact OG-OD2 3.3Å; S73-I77 WeakPolarHBondContact O-CG1 3.38Å; S73-I77 PolarHBondContact O-N 2.94Å
74	E	96.3	Very high	97.5	Very high	90 Å²	90	54.6 Å²	54.6	42%	0.421	27%	0.266	S	S	.	.	H	α-helix	trans	-55.3	-34.2	173.4	-73.3	-58.3	140.1	0	0	112.8	N78 R848	E74-N78 WeakPolarHBondContact O-CB 3.41Å; E74-N78 VanDerWaalsContact O-CG 3.32Å; E74-N78 PolarHBondContact O-N 3.45Å; E74-N78 VanDerWaalsContact O-N 3.08Å; E74-N78 PolarHBondContact O-ND2 3.39Å; E74-R848 IonicContact OE1-CZ 3.39Å; E74-R848 IonicContact OE1-NE 3.27Å; E74-R848 IonicContact OE1-NH2 2.83Å; E74-R848 PolarHBondContact OE1-NH2 3.29Å; E74-R848 IonicContact OE2-NH2 3.65Å; E74-R848 PolarHBondContact OE2-NH2 3.3Å
75	K	97.8	Very high	97.8	Very high	172 Å²	172	55.6 Å²	55.6	75%	0.748	29%	0.286	S	S	*	.	H	α-helix	trans	-65.2	-43.2	173.8	-176.7	-175.8	175.2	-173.1	0	111.5	S73 H79	S73-K75 PolarHBondContact O-N 3.02Å; S73-K75 VanDerWaalsContact O-N 3.15Å; K75-H79 WeakPolarHBondContact O-CB 3.42Å; K75-H79 PolarHBondContact O-N 2.77Å; K75-H79 VanDerWaalsContact O-N 3.09Å
76	D	98.3	Very high	97.9	Very high	47 Å²	47	56.7 Å²	56.7	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-66.6	-43.5	178.1	-64.4	-47.6	0	0	0	111.5	P72 S73 N78 H79 M80 K932	P72-D76 HydrophobicContact CB-CB 3.97Å; S73-D76 WeakPolarHBondContact CB-OD2 3.47Å; S73-D76 PolarHBondContact N-OD2 2.84Å; S73-D76 VanDerWaalsContact N-OD2 3.17Å; S73-D76 WeakPolarHBondContact O-CA 3.4Å; S73-D76 WeakPolarHBondContact O-CB 3.29Å; S73-D76 PolarHBondContact O-N 3.04Å; S73-D76 VanDerWaalsContact OG-CG 3.24Å; S73-D76 PolarHBondContact OG-N 3.31Å; S73-D76 PolarHBondContact OG-OD2 3.3Å; D76-N78 PolarHBondContact O-N 2.99Å; D76-H79 PolarHBondContact O-N 3.17Å; D76-H79 VanDerWaalsContact O-N 3.16Å; D76-M80 WeakPolarHBondContact O-CB 3.2Å; D76-M80 WeakPolarHBondContact O-CG 3.23Å; D76-M80 PolarHBondContact O-N 3.46Å; D76-K932 HydrophobicContact CB-CB 3.8Å; D76-K932 HydrophobicContact CB-CD 3.99Å
77	I	98.4	Very high	97.8	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-58	-48.3	177.2	-69.2	173.4	0	0	0	110.5	P72 S73 H79 M80 L81 L855	P72-I77 HydrophobicContact CB-CG1 3.86Å; S73-I77 WeakPolarHBondContact O-CG1 3.38Å; S73-I77 PolarHBondContact O-N 2.94Å; I77-H79 VanDerWaalsContact C-N 3.32Å; I77-H79 PolarHBondContact O-N 3.27Å; I77-M80 PolarHBondContact O-N 3.21Å; I77-L81 HydrophobicContact CG2-CD1 3.95Å; I77-L81 HydrophobicContact CG2-CG 4.47Å; I77-L81 WeakPolarHBondContact O-CB 3.19Å; I77-L81 WeakPolarHBondContact O-CG 3.32Å; I77-L81 PolarHBondContact O-N 3.46Å; I77-L855 HydrophobicContact CB-CD2 4.33Å; I77-L855 HydrophobicContact CG1-CD2 4.47Å; I77-L855 HydrophobicContact CG2-CD2 3.76Å
78	N	98.2	Very high	97.9	Very high	78 Å²	78	61.9 Å²	61.9	42%	0.417	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-41.4	176.9	-74.4	-43.7	0	0	0	112.1	E74 D76 Q82	E74-N78 WeakPolarHBondContact O-CB 3.41Å; E74-N78 VanDerWaalsContact O-CG 3.32Å; E74-N78 PolarHBondContact O-N 3.45Å; E74-N78 VanDerWaalsContact O-N 3.08Å; E74-N78 PolarHBondContact O-ND2 3.39Å; D76-N78 PolarHBondContact O-N 2.99Å; N78-Q82 WeakPolarHBondContact O-CB 3.39Å; N78-Q82 VanDerWaalsContact O-CG 3.29Å; N78-Q82 WeakPolarHBondContact O-CG 3.31Å; N78-Q82 PolarHBondContact O-N 3.23Å
79	H	98.4	Very high	97.9	Very high	90 Å²	90	54.8 Å²	54.8	42%	0.417	29%	0.29	S	S	.	.	H	α-helix	trans	-67	-41.7	176.9	178.6	-147.5	0	0	0	112.4	K75 D76 I77 Q82 F83 K932	K75-H79 WeakPolarHBondContact O-CB 3.42Å; K75-H79 PolarHBondContact O-N 2.77Å; K75-H79 VanDerWaalsContact O-N 3.09Å; D76-H79 PolarHBondContact O-N 3.17Å; D76-H79 VanDerWaalsContact O-N 3.16Å; I77-H79 VanDerWaalsContact C-N 3.32Å; I77-H79 PolarHBondContact O-N 3.27Å; H79-Q82 PolarHBondContact O-N 2.8Å; H79-F83 WeakPolarHBondContact O-CB 3.29Å; H79-F83 PolarHBondContact O-N 3.06Å; H79-K932 VanDerWaalsContact ND1-CE 3.26Å; H79-K932 WeakPolarHBondContact ND1-CE 3.36Å
80	M	98.7	Very high	97.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.8	-41	176.9	-69.5	167.5	69.4	0	0	111.3	P72 D76 I77 F83 C84 L855 N856 Y859 K932	P72-M80 HydrophobicContact CB-SD 4.29Å; P72-M80 HydrophobicContact CG-SD 4.43Å; D76-M80 WeakPolarHBondContact O-CB 3.2Å; D76-M80 WeakPolarHBondContact O-CG 3.23Å; D76-M80 PolarHBondContact O-N 3.46Å; I77-M80 PolarHBondContact O-N 3.21Å; M80-F83 PolarHBondContact O-N 2.86Å; M80-C84 WeakPolarHBondContact O-CB 3.46Å; M80-C84 PolarHBondContact O-N 2.72Å; M80-C84 PolarHBondContact O-SG 3.08Å; M80-C84 VanDerWaalsContact O-SG 3.36Å; M80-L855 HydrophobicContact CB-CD1 4.2Å; M80-L855 HydrophobicContact CB-CD2 4.06Å; M80-L855 HydrophobicContact CB-CG 4.12Å; M80-L855 HydrophobicContact CE-CG 4.28Å; M80-N856 HydrophobicContact CE-CB 4.38Å; M80-N856 WeakPolarHBondContact CE-OD1 3.39Å; M80-Y859 HydrophobicContact CB-CD2 3.92Å; M80-Y859 HydrophobicContact CB-CG 4.26Å; M80-Y859 HydrophobicContact CE-CD1 3.73Å; M80-Y859 HydrophobicContact CE-CD2 4.4Å; M80-Y859 HydrophobicContact CE-CG 3.65Å; M80-Y859 HydrophobicContact CG-CD1 4.33Å; M80-Y859 HydrophobicContact CG-CD2 3.7Å; M80-Y859 HydrophobicContact CG-CE2 3.95Å; M80-Y859 HydrophobicContact CG-CG 3.91Å; M80-K932 HydrophobicContact CG-CD 3.8Å; M80-K932 HydrophobicContact CG-CG 4.1Å; M80-K932 HydrophobicContact SD-CB 3.81Å; M80-K932 HydrophobicContact SD-CD 4.06Å; M80-K932 HydrophobicContact SD-CG 3.85Å
81	L	98.6	Very high	97.7	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-51.1	172.8	-77.4	168.8	0	0	0	111.5	I77 F83 C84 G85 F86 I89 F92 L855	I77-L81 HydrophobicContact CG2-CD1 3.95Å; I77-L81 HydrophobicContact CG2-CG 4.47Å; I77-L81 WeakPolarHBondContact O-CB 3.19Å; I77-L81 WeakPolarHBondContact O-CG 3.32Å; I77-L81 PolarHBondContact O-N 3.46Å; L81-F83 VanDerWaalsContact C-N 3.31Å; L81-F83 PolarHBondContact O-N 2.93Å; L81-C84 CarbonylContact O-C 3.6Å; L81-C84 WeakPolarHBondContact O-CA 3.42Å; L81-C84 WeakPolarHBondContact O-CB 3.5Å; L81-C84 PolarHBondContact O-N 3.43Å; L81-G85 PolarHBondContact O-N 3Å; L81-F86 CarbonylContact C-O 3.59Å; L81-F86 WeakPolarHBondContact CB-O 3.42Å; L81-F86 HydrophobicContact CD2-CB 4.12Å; L81-F86 PolarHBondContact O-N 3.21Å; L81-F86 VanDerWaalsContact O-O 3.1Å; L81-I89 HydrophobicContact CD1-CB 4.2Å; L81-I89 HydrophobicContact CD1-CD1 4.41Å; L81-I89 HydrophobicContact CD2-CD1 3.88Å; L81-I89 HydrophobicContact CG-CD1 4.49Å; L81-F92 HydrophobicContact CD2-CB 3.8Å; L81-F92 HydrophobicContact CD2-CD1 4.47Å; L81-F92 HydrophobicContact CD2-CG 4.18Å; L81-L855 HydrophobicContact CD2-CD1 3.83Å; L81-L855 HydrophobicContact CD2-CD2 4.33Å; L81-L855 HydrophobicContact CG-CD1 4.1Å; L81-L855 HydrophobicContact CG-CD2 4Å
82	Q	98.4	Very high	97.7	Very high	123 Å²	123	62 Å²	62	58%	0.575	32%	0.318	S	S	*	.	H	α-helix	trans	-58.8	-43.9	177.5	-74.9	174.3	-2	0	0	111.4	N78 H79 C84 G85 F86	N78-Q82 WeakPolarHBondContact O-CB 3.39Å; N78-Q82 VanDerWaalsContact O-CG 3.29Å; N78-Q82 WeakPolarHBondContact O-CG 3.31Å; N78-Q82 PolarHBondContact O-N 3.23Å; H79-Q82 PolarHBondContact O-N 2.8Å; Q82-C84 VanDerWaalsContact C-N 3.29Å; Q82-C84 PolarHBondContact O-N 2.83Å; Q82-G85 PolarHBondContact O-N 3.12Å; Q82-F86 WeakPolarHBondContact CA-O 3.42Å; Q82-F86 PolarHBondContact N-O 3.01Å
83	F	98.2	Very high	97.6	Very high	78 Å²	78	62.1 Å²	62.1	34%	0.342	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-41	175	-176.9	-99.5	0	0	0	111.2	H79 M80 L81 G85 Y859 K862 R863	H79-F83 WeakPolarHBondContact O-CB 3.29Å; H79-F83 PolarHBondContact O-N 3.06Å; M80-F83 PolarHBondContact O-N 2.86Å; L81-F83 VanDerWaalsContact C-N 3.31Å; L81-F83 PolarHBondContact O-N 2.93Å; F83-G85 VanDerWaalsContact C-N 3.25Å; F83-G85 PolarHBondContact O-N 3.34Å; F83-Y859 HydrophobicContact CB-CD2 4.31Å; F83-Y859 HydrophobicContact CB-CE2 4.19Å; F83-Y859 AromaticContact CD1-CD2 3.56Å; F83-Y859 HydrophobicContact CD1-CD2 3.56Å; F83-Y859 AromaticContact CD1-CE2 3.62Å; F83-Y859 HydrophobicContact CD1-CE2 3.62Å; F83-Y859 HydrophobicContact CE1-CD2 4.25Å; F83-Y859 HydrophobicContact CE1-CE2 4.19Å; F83-Y859 HydrophobicContact CG-CD2 4.2Å; F83-Y859 AromaticContact CG-CE2 3.95Å; F83-Y859 HydrophobicContact CG-CE2 3.95Å; F83-K862 HydrophobicContact CD1-CB 4.42Å; F83-K862 HydrophobicContact CD1-CD 3.96Å; F83-K862 HydrophobicContact CD1-CG 4.26Å; F83-K862 HydrophobicContact CE1-CB 3.85Å; F83-K862 HydrophobicContact CE1-CD 3.84Å; F83-K862 HydrophobicContact CE1-CG 3.64Å; F83-K862 HydrophobicContact CZ-CG 4.26Å; F83-K862 VanDerWaalsContact O-CD 3.3Å; F83-K862 WeakPolarHBondContact O-CD 3.35Å; F83-K862 WeakPolarHBondContact O-CE 3.46Å; F83-K862 PolarHBondContact O-NZ 3.26Å; F83-R863 HydrophobicContact CE1-CG 3.67Å; F83-R863 HydrophobicContact CZ-CG 3.82Å
84	C	97.8	Very high	97.5	Very high	8 Å²	8	61.7 Å²	61.7	5%	0.054	32%	0.315	C	S	.	.	H	α-helix	trans	-71.4	-14.8	174.5	-71.8	0	0	0	0	114	M80 L81 Q82 F86 K862	M80-C84 WeakPolarHBondContact O-CB 3.46Å; M80-C84 PolarHBondContact O-N 2.72Å; M80-C84 PolarHBondContact O-SG 3.08Å; M80-C84 VanDerWaalsContact O-SG 3.36Å; L81-C84 CarbonylContact O-C 3.6Å; L81-C84 WeakPolarHBondContact O-CA 3.42Å; L81-C84 WeakPolarHBondContact O-CB 3.5Å; L81-C84 PolarHBondContact O-N 3.43Å; Q82-C84 VanDerWaalsContact C-N 3.29Å; Q82-C84 PolarHBondContact O-N 2.83Å; C84-F86 HydrophobicContact CB-CD2 4.02Å; C84-F86 HydrophobicContact CB-CE2 4.45Å; C84-K862 PolarHBondContact O-NZ 2.85Å
85	G	97.5	Very high	97.6	Very high	60 Å²	60	62.6 Å²	62.6	62%	0.619	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.1	20.8	178.7	0	0	0	0	0	114.5	L81 Q82 F83	L81-G85 PolarHBondContact O-N 3Å; Q82-G85 PolarHBondContact O-N 3.12Å; F83-G85 VanDerWaalsContact C-N 3.25Å; F83-G85 PolarHBondContact O-N 3.34Å
86	F	98.1	Very high	97.6	Very high	28 Å²	28	54.5 Å²	54.5	12%	0.123	28%	0.283	C	S	.	.			trans	-123.4	150.3	-178.3	-61.6	-85.7	0	0	0	111.5	L81 Q82 C84 D91 F92 K95 M878	L81-F86 CarbonylContact C-O 3.59Å; L81-F86 WeakPolarHBondContact CB-O 3.42Å; L81-F86 HydrophobicContact CD2-CB 4.12Å; L81-F86 PolarHBondContact O-N 3.21Å; L81-F86 VanDerWaalsContact O-O 3.1Å; Q82-F86 WeakPolarHBondContact CA-O 3.42Å; Q82-F86 PolarHBondContact N-O 3.01Å; C84-F86 HydrophobicContact CB-CD2 4.02Å; C84-F86 HydrophobicContact CB-CE2 4.45Å; F86-D91 HydrophobicContact CD1-CB 4Å; F86-F92 HydrophobicContact CB-CB 4.15Å; F86-F92 HydrophobicContact CD1-CB 4.05Å; F86-F92 HydrophobicContact CD2-CB 3.95Å; F86-F92 AromaticContact CD2-CD2 3.8Å; F86-F92 HydrophobicContact CD2-CD2 3.8Å; F86-F92 HydrophobicContact CD2-CG 4.34Å; F86-F92 HydrophobicContact CE1-CB 4.46Å; F86-F92 HydrophobicContact CE2-CB 4.39Å; F86-F92 AromaticContact CE2-CD2 3.7Å; F86-F92 HydrophobicContact CE2-CD2 3.7Å; F86-F92 HydrophobicContact CG-CB 3.77Å; F86-F92 HydrophobicContact CG-CD2 4.48Å; F86-F92 HydrophobicContact CZ-CD2 4.3Å; F86-K95 HydrophobicContact CE1-CB 4.28Å; F86-K95 HydrophobicContact CE1-CG 3.65Å; F86-K95 HydrophobicContact CZ-CB 4.03Å; F86-K95 HydrophobicContact CZ-CG 3.81Å; F86-M878 HydrophobicContact CE2-CE 3.5Å; F86-M878 VanDerWaalsContact CE2-CE 3.5Å; F86-M878 HydrophobicContact CZ-CE 3.74Å
87	N	96.4	Very high	97.5	Very high	133 Å²	133	52.4 Å²	52.4	71%	0.711	27%	0.271	S	S	*	.	S	Bend	trans	-99.7	-23.4	174.9	-66.8	-42.1	0	0	0	112.7
88	K	96.5	Very high	97.3	Very high	128 Å²	128	53.8 Å²	53.8	56%	0.557	28%	0.28	S	S	*	.	S	Bend	trans	-133.2	148	-177.2	-63.5	-176.9	179.3	179.5	0	110.4	E90 D91 F92	K88-E90 VanDerWaalsContact C-N 3.27Å; K88-E90 PolarHBondContact O-N 3.26Å; K88-D91 PolarHBondContact O-N 3.11Å; K88-F92 PolarHBondContact O-N 2.81Å
89	I	97.4	Very high	97.1	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.051	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-34.3	179.1	-166.4	67	0	0	0	110.6	L81 D91 F92 I93 Q851 L855	L81-I89 HydrophobicContact CD1-CB 4.2Å; L81-I89 HydrophobicContact CD1-CD1 4.41Å; L81-I89 HydrophobicContact CD2-CD1 3.88Å; L81-I89 HydrophobicContact CG-CD1 4.49Å; I89-D91 PolarHBondContact O-N 3.19Å; I89-F92 HydrophobicContact CD1-CD1 3.9Å; I89-F92 WeakPolarHBondContact O-CB 3.49Å; I89-F92 PolarHBondContact O-N 3.04Å; I89-I93 HydrophobicContact CG1-CG1 4.33Å; I89-I93 WeakPolarHBondContact O-CG1 3.38Å; I89-I93 PolarHBondContact O-N 3.06Å; I89-Q851 HydrophobicContact CD1-CB 4.25Å; I89-Q851 HydrophobicContact CG1-CB 3.86Å; I89-Q851 HydrophobicContact CG1-CG 4.21Å; I89-L855 HydrophobicContact CD1-CB 4.33Å; I89-L855 HydrophobicContact CD1-CD2 4.18Å
90	E	95.3	Very high	96.8	Very high	114 Å²	114	54.7 Å²	54.7	53%	0.533	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-44.5	178.4	-64.2	71.4	-154.2	0	0	111.8	K88 F92 I93 S94	K88-E90 VanDerWaalsContact C-N 3.27Å; K88-E90 PolarHBondContact O-N 3.26Å; E90-F92 VanDerWaalsContact C-N 3.29Å; E90-F92 PolarHBondContact O-N 2.8Å; E90-I93 PolarHBondContact O-N 3.15Å; E90-S94 PolarHBondContact O-N 3Å
91	D	96.6	Very high	96.7	Very high	79 Å²	79	55.4 Å²	55.4	42%	0.422	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-41.5	177.5	-60.8	-23.4	0	0	0	110.4	F86 K88 I89 S94	F86-D91 HydrophobicContact CD1-CB 4Å; K88-D91 PolarHBondContact O-N 3.11Å; I89-D91 PolarHBondContact O-N 3.19Å; D91-S94 PolarHBondContact O-OG 3.07Å
92	F	98.1	Very high	96.6	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-48.7	174.8	166.7	-107.6	0	0	0	111.9	L81 F86 K88 I89 E90 S94 K95 V96 L854 L855 N858 M878	L81-F92 HydrophobicContact CD2-CB 3.8Å; L81-F92 HydrophobicContact CD2-CD1 4.47Å; L81-F92 HydrophobicContact CD2-CG 4.18Å; F86-F92 HydrophobicContact CB-CB 4.15Å; F86-F92 HydrophobicContact CD1-CB 4.05Å; F86-F92 HydrophobicContact CD2-CB 3.95Å; F86-F92 AromaticContact CD2-CD2 3.8Å; F86-F92 HydrophobicContact CD2-CD2 3.8Å; F86-F92 HydrophobicContact CD2-CG 4.34Å; F86-F92 HydrophobicContact CE1-CB 4.46Å; F86-F92 HydrophobicContact CE2-CB 4.39Å; F86-F92 AromaticContact CE2-CD2 3.7Å; F86-F92 HydrophobicContact CE2-CD2 3.7Å; F86-F92 HydrophobicContact CG-CB 3.77Å; F86-F92 HydrophobicContact CG-CD2 4.48Å; F86-F92 HydrophobicContact CZ-CD2 4.3Å; K88-F92 PolarHBondContact O-N 2.81Å; I89-F92 HydrophobicContact CD1-CD1 3.9Å; I89-F92 WeakPolarHBondContact O-CB 3.49Å; I89-F92 PolarHBondContact O-N 3.04Å; E90-F92 VanDerWaalsContact C-N 3.29Å; E90-F92 PolarHBondContact O-N 2.8Å; F92-S94 VanDerWaalsContact C-N 3.31Å; F92-S94 PolarHBondContact O-N 3.2Å; F92-K95 WeakPolarHBondContact O-CB 3.26Å; F92-K95 PolarHBondContact O-N 3.47Å; F92-V96 HydrophobicContact CD1-CG2 4.42Å; F92-V96 HydrophobicContact CD2-CG2 4.08Å; F92-V96 HydrophobicContact CE1-CG2 3.98Å; F92-V96 HydrophobicContact CE2-CG2 3.58Å; F92-V96 HydrophobicContact CG-CG2 4.48Å; F92-V96 HydrophobicContact CZ-CG2 3.53Å; F92-V96 WeakPolarHBondContact O-CG2 3.34Å; F92-V96 PolarHBondContact O-N 3.46Å; F92-L854 HydrophobicContact CE1-CB 3.96Å; F92-L854 HydrophobicContact CZ-CB 4.36Å; F92-L855 HydrophobicContact CE1-CB 4.07Å; F92-L855 HydrophobicContact CE1-CD1 4.36Å; F92-L855 HydrophobicContact CZ-CD1 4.45Å; F92-N858 HydrophobicContact CE2-CB 3.81Å; F92-N858 HydrophobicContact CZ-CB 3.78Å; F92-M878 HydrophobicContact CE2-SD 4.14Å
93	I	98	Very high	96.5	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-39.7	-178.8	-65.7	-66.1	0	0	0	111.7	I89 E90 K95 V96 I97 L102 L747 Q851 L854	I89-I93 HydrophobicContact CG1-CG1 4.33Å; I89-I93 WeakPolarHBondContact O-CG1 3.38Å; I89-I93 PolarHBondContact O-N 3.06Å; E90-I93 PolarHBondContact O-N 3.15Å; I93-K95 PolarHBondContact O-N 2.92Å; I93-K95 VanDerWaalsContact O-N 3.13Å; I93-V96 PolarHBondContact O-N 2.92Å; I93-I97 HydrophobicContact CG2-CD1 4.13Å; I93-I97 HydrophobicContact CG2-CG1 4.42Å; I93-I97 PolarHBondContact O-N 2.97Å; I93-L102 HydrophobicContact CG2-CD2 4.14Å; I93-L747 HydrophobicContact CD1-CD1 4.3Å; I93-L747 HydrophobicContact CG2-CD2 4.32Å; I93-Q851 HydrophobicContact CD1-CB 4.24Å; I93-Q851 HydrophobicContact CD1-CG 3.92Å; I93-Q851 HydrophobicContact CG1-CG 4.05Å; I93-L854 HydrophobicContact CD1-CB 4.43Å; I93-L854 HydrophobicContact CD1-CD1 3.48Å; I93-L854 VanDerWaalsContact CD1-CD1 3.48Å
94	S	95.7	Very high	96.3	Very high	46 Å²	46	56.6 Å²	56.6	32%	0.322	31%	0.306	S	S	.	.	H	α-helix	trans	-61.2	-19.5	175.4	76.9	0	0	0	0	114	E90 D91 F92	E90-S94 PolarHBondContact O-N 3Å; D91-S94 PolarHBondContact O-OG 3.07Å; F92-S94 VanDerWaalsContact C-N 3.31Å; F92-S94 PolarHBondContact O-N 3.2Å
95	K	96.8	Very high	96.1	Very high	109 Å²	109	60 Å²	60	47%	0.474	32%	0.318	S	S	.	.	H	α-helix	trans	-93.9	-16.2	174.3	-61	-51.4	-178.6	-168.4	0	113.5	F86 F92 I93 N874 A876	F86-K95 HydrophobicContact CE1-CB 4.28Å; F86-K95 HydrophobicContact CE1-CG 3.65Å; F86-K95 HydrophobicContact CZ-CB 4.03Å; F86-K95 HydrophobicContact CZ-CG 3.81Å; F92-K95 WeakPolarHBondContact O-CB 3.26Å; F92-K95 PolarHBondContact O-N 3.47Å; I93-K95 PolarHBondContact O-N 2.92Å; I93-K95 VanDerWaalsContact O-N 3.13Å; K95-N874 PolarHBondContact O-ND2 2.93Å; K95-A876 HydrophobicContact CB-CB 4.11Å
96	V	97.4	Very high	96	Very high	2 Å²	2	61 Å²	61	1%	0.012	31%	0.309	C	S	.	.	H	α-helix	trans	-92.6	-46.6	179.8	175.2	0	0	0	0	110.9	F92 I93 F716 L854 N874 M878 C879	F92-V96 HydrophobicContact CD1-CG2 4.42Å; F92-V96 HydrophobicContact CD2-CG2 4.08Å; F92-V96 HydrophobicContact CE1-CG2 3.98Å; F92-V96 HydrophobicContact CE2-CG2 3.58Å; F92-V96 HydrophobicContact CG-CG2 4.48Å; F92-V96 HydrophobicContact CZ-CG2 3.53Å; F92-V96 WeakPolarHBondContact O-CG2 3.34Å; F92-V96 PolarHBondContact O-N 3.46Å; I93-V96 PolarHBondContact O-N 2.92Å; V96-F716 HydrophobicContact CG1-CD2 3.92Å; V96-F716 HydrophobicContact CG1-CE2 3.84Å; V96-F716 WeakPolarHBondContact O-CD2 3.42Å; V96-L854 HydrophobicContact CG1-CD1 4.15Å; V96-L854 HydrophobicContact CG1-CD2 4.12Å; V96-N874 PolarHBondContact O-ND2 3.26Å; V96-M878 HydrophobicContact CG2-CB 4Å; V96-M878 HydrophobicContact CG2-CG 4.26Å; V96-C879 WeakPolarHBondContact CG1-O 3.49Å
97	I	96.8	Very high	96	Very high	2 Å²	2	60 Å²	60	1%	0.01	31%	0.306	C	S	.	.	S	Bend	trans	-108.1	134.3	-173.5	-54.1	-176.4	0	0	0	109.6	I93 D99 I101 L102 F716 L747 L854	I93-I97 HydrophobicContact CG2-CD1 4.13Å; I93-I97 HydrophobicContact CG2-CG1 4.42Å; I93-I97 PolarHBondContact O-N 2.97Å; I97-D99 PolarHBondContact O-N 3.27Å; I97-I101 HydrophobicContact CG2-CD1 3.75Å; I97-I101 HydrophobicContact CG2-CG1 3.77Å; I97-L102 HydrophobicContact CB-CD2 3.88Å; I97-L102 HydrophobicContact CB-CG 4.47Å; I97-L102 HydrophobicContact CD1-CD2 4.23Å; I97-L102 HydrophobicContact CG2-CD2 3.71Å; I97-L102 HydrophobicContact CG2-CG 4.16Å; I97-F716 HydrophobicContact CD1-CE2 4.28Å; I97-F716 HydrophobicContact CD1-CZ 3.99Å; I97-F716 HydrophobicContact CG1-CD2 4.07Å; I97-F716 HydrophobicContact CG1-CE1 4.3Å; I97-F716 HydrophobicContact CG1-CE2 3.69Å; I97-F716 HydrophobicContact CG1-CZ 3.82Å; I97-L747 HydrophobicContact CD1-CB 3.82Å; I97-L747 HydrophobicContact CD1-CD1 3.77Å; I97-L747 HydrophobicContact CD1-CG 4.37Å; I97-L854 HydrophobicContact CD1-CD1 4.08Å; I97-L854 HydrophobicContact CG1-CD1 4.47Å
98	P	94.3	Very high	96	Very high	30 Å²	30	61.5 Å²	61.5	20%	0.195	31%	0.305	C	S	.	.			trans	-57.8	133.4	173.9	-22.8	31.9	0	0	0	112.7	S100 I101 F716	P98-S100 PolarHBondContact O-N 2.88Å; P98-S100 VanDerWaalsContact O-N 3.11Å; P98-I101 HydrophobicContact CB-CG1 4.3Å; P98-I101 WeakPolarHBondContact O-CG1 3.31Å; P98-I101 PolarHBondContact O-N 3.21Å; P98-F716 HydrophobicContact CG-CB 4.45Å
99	D	93.4	Very high	96.1	Very high	111 Å²	111	56.4 Å²	56.4	59%	0.594	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-57	-31.1	-178.7	-70	-27.8	0	0	0	113.2	I97 I101 L102	I97-D99 PolarHBondContact O-N 3.27Å; D99-I101 PolarHBondContact O-N 3.05Å; D99-L102 PolarHBondContact O-N 3.49Å
100	S	94	Very high	96	Very high	77 Å²	77	59.9 Å²	59.9	54%	0.538	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-66.6	-16	-176.5	68	0	0	0	0	114.6	P98 Q721	P98-S100 PolarHBondContact O-N 2.88Å; P98-S100 VanDerWaalsContact O-N 3.11Å; S100-Q721 VanDerWaalsContact CB-OE1 3.31Å; S100-Q721 PolarHBondContact OG-OE1 2.97Å
101	I	96.4	Very high	96	Very high	14 Å²	14	59.8 Å²	59.8	7%	0.072	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-115.6	-3.2	-179.3	64.5	161.1	0	0	0	113.3	I97 P98 D99 L103 Y709 Q721 C748 I753	I97-I101 HydrophobicContact CG2-CD1 3.75Å; I97-I101 HydrophobicContact CG2-CG1 3.77Å; P98-I101 HydrophobicContact CB-CG1 4.3Å; P98-I101 WeakPolarHBondContact O-CG1 3.31Å; P98-I101 PolarHBondContact O-N 3.21Å; D99-I101 PolarHBondContact O-N 3.05Å; I101-L103 PolarHBondContact O-N 2.99Å; I101-Y709 HydrophobicContact CD1-CE1 3.46Å; I101-Y709 VanDerWaalsContact CD1-CE1 3.46Å; I101-Y709 VanDerWaalsContact CD1-OH 3.22Å; I101-Y709 WeakPolarHBondContact CD1-OH 3.49Å; I101-Q721 HydrophobicContact CG2-CG 3.96Å; I101-C748 HydrophobicContact CB-CB 4.46Å; I101-C748 HydrophobicContact CD1-CB 4.19Å; I101-C748 HydrophobicContact CG1-CB 4.36Å; I101-C748 WeakPolarHBondContact O-CB 3.48Å; I101-I753 HydrophobicContact CB-CD1 4.47Å; I101-I753 HydrophobicContact CB-CG1 4.08Å; I101-I753 HydrophobicContact CD1-CD1 4.12Å; I101-I753 HydrophobicContact CG2-CG1 3.93Å
102	L	95.9	Very high	96	Very high	37 Å²	37	59.5 Å²	59.5	19%	0.194	30%	0.3	C	S	.	.			trans	-66.7	129.7	-179.9	-78.2	177.2	0	0	0	111	I93 I97 D99 Q104 L747	I93-L102 HydrophobicContact CG2-CD2 4.14Å; I97-L102 HydrophobicContact CB-CD2 3.88Å; I97-L102 HydrophobicContact CB-CG 4.47Å; I97-L102 HydrophobicContact CD1-CD2 4.23Å; I97-L102 HydrophobicContact CG2-CD2 3.71Å; I97-L102 HydrophobicContact CG2-CG 4.16Å; D99-L102 PolarHBondContact O-N 3.49Å; L102-Q104 PolarHBondContact O-N 2.83Å; L102-Q104 PolarHBondContact O-NE2 3.24Å; L102-Q104 VanDerWaalsContact O-NE2 3.08Å; L102-L747 WeakPolarHBondContact CA-O 3.36Å
103	L	96.3	Very high	95.9	Very high	26 Å²	26	60.3 Å²	60.3	14%	0.136	30%	0.304	C	S	.	.			trans	-71	116.1	175.4	-172.7	67.8	0	0	0	109.9	I101 R105 L107 L747 R749	I101-L103 PolarHBondContact O-N 2.99Å; L103-R105 HydrophobicContact CD1-CG 3.99Å; L103-R105 HydrophobicContact CD2-CG 4.47Å; L103-R105 VanDerWaalsContact CD2-O 3.31Å; L103-R105 WeakPolarHBondContact CD2-O 3.46Å; L103-R105 HydrophobicContact CG-CG 4.03Å; L103-R105 WeakPolarHBondContact CG-O 3.33Å; L103-R105 PolarHBondContact O-N 2.94Å; L103-L107 HydrophobicContact CD2-CD2 3.92Å; L103-L747 WeakPolarHBondContact CB-O 3.45Å; L103-L747 PolarHBondContact N-O 3.33Å; L103-R749 HydrophobicContact CD1-CG 4.38Å; L103-R749 HydrophobicContact CD2-CG 4.32Å
104	Q	92.8	Very high	95.8	Very high	166 Å²	166	60.4 Å²	60.4	78%	0.776	31%	0.306	S	S	*	.	S	Bend	trans	-83.4	15.4	-175.5	-57.8	-58.4	-41.5	0	0	114.1	L102	L102-Q104 PolarHBondContact O-N 2.83Å; L102-Q104 PolarHBondContact O-NE2 3.24Å; L102-Q104 VanDerWaalsContact O-NE2 3.08Å
105	R	95.2	Very high	95.9	Very high	79 Å²	79	60.8 Å²	60.8	30%	0.298	30%	0.303	S	S	.	.	S	Bend	trans	-148.1	159.3	-179.3	61.5	166.6	-172.8	85.8	-5.4	110.3	L103 E614 R749	L103-R105 HydrophobicContact CD1-CG 3.99Å; L103-R105 HydrophobicContact CD2-CG 4.47Å; L103-R105 VanDerWaalsContact CD2-O 3.31Å; L103-R105 WeakPolarHBondContact CD2-O 3.46Å; L103-R105 HydrophobicContact CG-CG 4.03Å; L103-R105 WeakPolarHBondContact CG-O 3.33Å; L103-R105 PolarHBondContact O-N 2.94Å; R105-E614 IonicContact CZ-OE1 3.84Å; R105-E614 IonicContact CZ-OE2 3.7Å; R105-E614 IonicContact NH1-OE1 2.79Å; R105-E614 PolarHBondContact NH1-OE1 2.95Å; R105-E614 IonicContact NH1-OE2 3.54Å; R105-E614 IonicContact NH2-OE1 3.84Å; R105-E614 PolarHBondContact NH2-OE1 2.87Å; R105-E614 IonicContact NH2-OE2 3.11Å; R105-E614 PolarHBondContact NH2-OE2 3.01Å; R105-R749 VanDerWaalsContact NH2-NH1 3.12Å
106	D	93.8	Very high	95.8	Very high	81 Å²	81	58.6 Å²	58.6	43%	0.433	31%	0.305	S	S	.	.			trans	-71.5	157.5	167.7	-68.6	-24.2	0	0	0	110.9	K847	D106-K847 IonicContact OD1-NZ 3.28Å; D106-K847 PolarHBondContact OD1-NZ 3.17Å
107	L	98.1	Very high	95.7	Very high	9 Å²	9	61.3 Å²	61.3	5%	0.047	32%	0.317	C	S	.	.			trans	-64.9	140.4	174.3	-65.6	172.4	0	0	0	110.4	L103 L109 E614 I615 V745 P843	L103-L107 HydrophobicContact CD2-CD2 3.92Å; L107-L109 VanDerWaalsContact C-N 3.25Å; L107-L109 HydrophobicContact CB-CD1 4.08Å; L107-L109 HydrophobicContact CB-CG 4Å; L107-L109 HydrophobicContact CD1-CD1 3.99Å; L107-L109 PolarHBondContact O-N 2.97Å; L107-L109 VanDerWaalsContact O-N 3.09Å; L107-E614 WeakPolarHBondContact CA-OE1 3.08Å; L107-E614 HydrophobicContact CB-CG 4.37Å; L107-E614 HydrophobicContact CD2-CG 4.28Å; L107-I615 HydrophobicContact CD1-CG1 3.98Å; L107-V745 HydrophobicContact CD1-CG1 4.28Å; L107-P843 HydrophobicContact CB-CB 3.97Å; L107-P843 WeakPolarHBondContact O-CB 3.34Å
108	K	97.6	Very high	95.7	Very high	163 Å²	163	61.2 Å²	61.2	71%	0.709	32%	0.317	S	S	*	.			trans	-87.1	64.8	177.1	-66	179.3	-177.6	-178.7	0	110.6	E614	K108-E614 HydrophobicContact CB-CG 4.31Å; K108-E614 PolarHBondContact N-OE1 2.98Å
109	L	97.5	Very high	95.9	Very high	22 Å²	22	61.7 Å²	61.7	12%	0.115	32%	0.317	C	S	.	.			trans	-110.5	167.1	176.8	-58.4	176.5	0	0	0	110.2	L107 D611 E614 I615 P843 L846	L107-L109 VanDerWaalsContact C-N 3.25Å; L107-L109 HydrophobicContact CB-CD1 4.08Å; L107-L109 HydrophobicContact CB-CG 4Å; L107-L109 HydrophobicContact CD1-CD1 3.99Å; L107-L109 PolarHBondContact O-N 2.97Å; L107-L109 VanDerWaalsContact O-N 3.09Å; L109-D611 HydrophobicContact CD2-CB 3.91Å; L109-E614 HydrophobicContact CD2-CB 3.95Å; L109-E614 HydrophobicContact CD2-CG 3.82Å; L109-E614 HydrophobicContact CG-CG 4.22Å; L109-I615 HydrophobicContact CD1-CD1 4.21Å; L109-I615 HydrophobicContact CD1-CG1 4.07Å; L109-P843 HydrophobicContact CB-CB 4.39Å; L109-L846 HydrophobicContact CD1-CD1 3.53Å
110	E	96.7	Very high	96	Very high	82 Å²	82	62.7 Å²	62.7	38%	0.383	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-62.3	143	167.6	-164.9	-178	164.6	0	0	110.6	R121 R839 P843	E110-R121 IonicContact OE1-CZ 3.66Å; E110-R121 IonicContact OE1-NH1 2.73Å; E110-R121 PolarHBondContact OE1-NH1 2.85Å; E110-R121 IonicContact OE1-NH2 3.72Å; E110-R121 PolarHBondContact OE1-NH2 2.91Å; E110-R121 IonicContact OE2-CZ 3.71Å; E110-R121 IonicContact OE2-NH1 3.93Å; E110-R121 IonicContact OE2-NH2 3.35Å; E110-R121 PolarHBondContact OE2-NH2 2.8Å; E110-R839 WeakPolarHBondContact OE2-CD 3.38Å; E110-R839 IonicContact OE2-CZ 3.81Å; E110-R839 IonicContact OE2-NE 3.8Å; E110-R839 PolarHBondContact OE2-NE 3.04Å; E110-P843 VanDerWaalsContact O-CD 3.22Å; E110-P843 WeakPolarHBondContact O-CD 3.46Å
111	N	95.7	Very high	96.2	Very high	113 Å²	113	61.5 Å²	61.5	60%	0.604	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-62	159.2	174.7	-66.4	-26.5	0	0	0	111.5
112	E	95.5	Very high	96.2	Very high	73 Å²	73	61 Å²	61	34%	0.341	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-54.5	145.8	175.9	62.5	-81.9	-168.1	0	0	112.6	A63 R839 L840	A63-E112 HydrophobicContact CB-CB 4.27Å; A63-E112 HydrophobicContact CB-CG 3.74Å; E112-R839 WeakPolarHBondContact CA-O 3.27Å; E112-L840 WeakPolarHBondContact CB-O 3.34Å
113	T	95.7	Very high	96.3	Very high	16 Å²	16	64 Å²	64	10%	0.098	31%	0.305	C	S	.	.			trans	-124.4	154.5	175	-173.9	0	0	0	0	110.4	E117 L118 R839	T113-E117 WeakPolarHBondContact OG1-CB 3.33Å; T113-E117 WeakPolarHBondContact OG1-CG 3.39Å; T113-L118 HydrophobicContact CG2-CB 3.92Å; T113-L118 HydrophobicContact CG2-CD1 3.76Å; T113-R839 HydrophobicContact CG2-CB 4.28Å; T113-R839 PolarHBondContact N-O 2.84Å; T113-R839 VanDerWaalsContact N-O 3.09Å
114	S	96.5	Very high	96.4	Very high	10 Å²	10	67.6 Å²	67.6	7%	0.07	32%	0.324	C	S	.	.			trans	-67.2	155.2	171.2	66.8	0	0	0	0	111.9	P61 E62 A116 E117 L118	P61-S114 WeakPolarHBondContact O-CB 3.48Å; E62-S114 WeakPolarHBondContact O-CB 3.25Å; S114-A116 VanDerWaalsContact C-N 3.27Å; S114-A116 PolarHBondContact O-N 2.87Å; S114-E117 PolarHBondContact O-N 2.86Å; S114-E117 WeakPolarHBondContact OG-CB 3.36Å; S114-E117 PolarHBondContact OG-N 2.92Å; S114-L118 PolarHBondContact O-N 3.45Å
115	E	96.9	Very high	96.6	Very high	55 Å²	55	60.2 Å²	60.2	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-56.9	-41.7	177.5	-65.7	-173.4	-120.3	0	0	112.1	F65 E117 L118 I119 T576 L840	F65-E115 HydrophobicContact CB-CG 4.38Å; F65-E115 HydrophobicContact CD2-CG 3.91Å; E115-E117 PolarHBondContact O-N 2.95Å; E115-L118 PolarHBondContact O-N 2.87Å; E115-I119 VanDerWaalsContact O-CG1 3.29Å; E115-I119 WeakPolarHBondContact O-CG1 3.28Å; E115-I119 PolarHBondContact O-N 2.93Å; E115-T576 HydrophobicContact CB-CG2 4.05Å; E115-T576 HydrophobicContact CG-CG2 4.24Å; E115-T576 VanDerWaalsContact OE2-CB 3.31Å; E115-T576 WeakPolarHBondContact OE2-CB 3.39Å; E115-T576 PolarHBondContact OE2-OG1 3.18Å; E115-L840 HydrophobicContact CB-CD2 4.44Å; E115-L840 HydrophobicContact CG-CD2 3.93Å
116	A	95.4	Very high	96.8	Very high	63 Å²	63	56.4 Å²	56.4	52%	0.521	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-44.1	178.9	0	0	0	0	0	112.3	S114 R120	S114-A116 VanDerWaalsContact C-N 3.27Å; S114-A116 PolarHBondContact O-N 2.87Å; A116-R120 PolarHBondContact O-N 3.07Å
117	E	95.7	Very high	96.9	Very high	59 Å²	59	57 Å²	57	28%	0.276	28%	0.279	S	S	.	.	H	α-helix	trans	-70.2	-39.4	178.2	174.8	57.5	-165.6	0	0	111.6	T113 S114 E115 I119 R120 R121	T113-E117 WeakPolarHBondContact OG1-CB 3.33Å; T113-E117 WeakPolarHBondContact OG1-CG 3.39Å; S114-E117 PolarHBondContact O-N 2.86Å; S114-E117 WeakPolarHBondContact OG-CB 3.36Å; S114-E117 PolarHBondContact OG-N 2.92Å; E115-E117 PolarHBondContact O-N 2.95Å; E117-I119 PolarHBondContact O-N 2.89Å; E117-R120 VanDerWaalsContact CD-NH2 3.31Å; E117-R120 WeakPolarHBondContact O-CB 3.38Å; E117-R120 PolarHBondContact O-N 3.18Å; E117-R120 IonicContact OE1-CZ 2.85Å; E117-R120 IonicContact OE1-NE 3.3Å; E117-R120 IonicContact OE1-NH2 3.97Å; E117-R120 PolarHBondContact OE1-NH2 3.34Å; E117-R120 IonicContact OE2-CZ 2.67Å; E117-R120 IonicContact OE2-NE 2.86Å; E117-R120 PolarHBondContact OE2-NE 2.86Å; E117-R120 IonicContact OE2-NH2 3.24Å; E117-R120 PolarHBondContact OE2-NH2 3.14Å; E117-R120 VanDerWaalsContact OE2-NH2 3.13Å; E117-R121 HydrophobicContact CG-CG 4.36Å; E117-R121 VanDerWaalsContact O-CG 3.31Å; E117-R121 WeakPolarHBondContact O-CG 3.49Å; E117-R121 PolarHBondContact O-N 2.81Å; E117-R121 WeakPolarHBondContact OE1-CD 3.31Å; E117-R121 VanDerWaalsContact OE1-CG 3.27Å; E117-R121 WeakPolarHBondContact OE1-CG 3.28Å
118	L	97.1	Very high	97	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56.1	-50.4	174.5	-173.1	85.7	0	0	0	111.3	T113 S114 E115 R120 R121 L122 T576 W835 A836 R839 L840	T113-L118 HydrophobicContact CG2-CB 3.92Å; T113-L118 HydrophobicContact CG2-CD1 3.76Å; S114-L118 PolarHBondContact O-N 3.45Å; E115-L118 PolarHBondContact O-N 2.87Å; L118-R120 VanDerWaalsContact C-N 3.27Å; L118-R120 PolarHBondContact O-N 3.4Å; L118-R121 PolarHBondContact O-N 3.19Å; L118-L122 VanDerWaalsContact O-CB 3.32Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 PolarHBondContact O-N 3.33Å; L118-T576 HydrophobicContact CD2-CG2 3.76Å; L118-W835 HydrophobicContact CD1-CE3 4.35Å; L118-W835 HydrophobicContact CD1-CH2 4.19Å; L118-W835 HydrophobicContact CD1-CZ3 3.63Å; L118-W835 HydrophobicContact CG-CZ3 4.22Å; L118-A836 HydrophobicContact CD2-CB 3.57Å; L118-R839 HydrophobicContact CD1-CB 3.45Å; L118-R839 VanDerWaalsContact CD1-CB 3.45Å; L118-R839 HydrophobicContact CD1-CG 4.32Å; L118-L840 HydrophobicContact CB-CD2 3.94Å; L118-L840 HydrophobicContact CD1-CD2 4.45Å; L118-L840 HydrophobicContact CD1-CG 4.23Å; L118-L840 HydrophobicContact CD2-CD1 3.64Å; L118-L840 HydrophobicContact CD2-CD2 3.77Å; L118-L840 HydrophobicContact CD2-CG 3.54Å; L118-L840 HydrophobicContact CG-CD2 4.25Å; L118-L840 HydrophobicContact CG-CG 4.28Å
119	I	97	Very high	97	Very high	40 Å²	40	53.2 Å²	53.2	21%	0.205	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-42.2	-179.5	-67.9	164.4	0	0	0	110.3	E115 E117 K123 T576 L579	E115-I119 VanDerWaalsContact O-CG1 3.29Å; E115-I119 WeakPolarHBondContact O-CG1 3.28Å; E115-I119 PolarHBondContact O-N 2.93Å; E117-I119 PolarHBondContact O-N 2.89Å; I119-K123 HydrophobicContact CG2-CD 4.26Å; I119-K123 WeakPolarHBondContact O-CB 3.4Å; I119-K123 VanDerWaalsContact O-CG 3.32Å; I119-K123 WeakPolarHBondContact O-CG 3.5Å; I119-K123 PolarHBondContact O-N 3.24Å; I119-T576 HydrophobicContact CD1-CG2 4.08Å; I119-T576 HydrophobicContact CG1-CG2 3.91Å; I119-L579 HydrophobicContact CD1-CD1 3.7Å; I119-L579 HydrophobicContact CG1-CD1 4.08Å
120	R	96.7	Very high	97	Very high	132 Å²	132	56.3 Å²	56.3	50%	0.498	28%	0.276	S	S	.	.	H	α-helix	trans	-61.9	-48.7	177.2	-170.8	-173.9	72.1	90.7	0.8	111.3	A116 E117 L118 K123 L124	A116-R120 PolarHBondContact O-N 3.07Å; E117-R120 VanDerWaalsContact CD-NH2 3.31Å; E117-R120 WeakPolarHBondContact O-CB 3.38Å; E117-R120 PolarHBondContact O-N 3.18Å; E117-R120 IonicContact OE1-CZ 2.85Å; E117-R120 IonicContact OE1-NE 3.3Å; E117-R120 IonicContact OE1-NH2 3.97Å; E117-R120 PolarHBondContact OE1-NH2 3.34Å; E117-R120 IonicContact OE2-CZ 2.67Å; E117-R120 IonicContact OE2-NE 2.86Å; E117-R120 PolarHBondContact OE2-NE 2.86Å; E117-R120 IonicContact OE2-NH2 3.24Å; E117-R120 PolarHBondContact OE2-NH2 3.14Å; E117-R120 VanDerWaalsContact OE2-NH2 3.13Å; L118-R120 VanDerWaalsContact C-N 3.27Å; L118-R120 PolarHBondContact O-N 3.4Å; R120-K123 PolarHBondContact O-N 2.93Å; R120-L124 WeakPolarHBondContact O-CG 3.21Å; R120-L124 PolarHBondContact O-N 3.3Å
121	R	96.7	Very high	97.1	Very high	52 Å²	52	54.9 Å²	54.9	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-62.3	-45	178.9	-70.7	171.9	59.3	178.7	3.8	112.1	E110 E117 L118 K123 L124 L125	E110-R121 IonicContact OE1-CZ 3.66Å; E110-R121 IonicContact OE1-NH1 2.73Å; E110-R121 PolarHBondContact OE1-NH1 2.85Å; E110-R121 IonicContact OE1-NH2 3.72Å; E110-R121 PolarHBondContact OE1-NH2 2.91Å; E110-R121 IonicContact OE2-CZ 3.71Å; E110-R121 IonicContact OE2-NH1 3.93Å; E110-R121 IonicContact OE2-NH2 3.35Å; E110-R121 PolarHBondContact OE2-NH2 2.8Å; E117-R121 HydrophobicContact CG-CG 4.36Å; E117-R121 VanDerWaalsContact O-CG 3.31Å; E117-R121 WeakPolarHBondContact O-CG 3.49Å; E117-R121 PolarHBondContact O-N 2.81Å; E117-R121 WeakPolarHBondContact OE1-CD 3.31Å; E117-R121 VanDerWaalsContact OE1-CG 3.27Å; E117-R121 WeakPolarHBondContact OE1-CG 3.28Å; L118-R121 PolarHBondContact O-N 3.19Å; R121-K123 PolarHBondContact O-N 2.8Å; R121-L124 PolarHBondContact O-N 3.37Å; R121-L125 WeakPolarHBondContact O-CB 3.4Å; R121-L125 PolarHBondContact O-N 3.23Å
122	L	97.4	Very high	97.2	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-39.5	-179.9	-172.2	54	0	0	0	111.5	L118 L125 M126 A580 W583 L604 P832 W835	L118-L122 VanDerWaalsContact O-CB 3.32Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 PolarHBondContact O-N 3.33Å; L122-L125 PolarHBondContact O-N 3.05Å; L122-M126 HydrophobicContact CD1-CG 3.93Å; L122-M126 HydrophobicContact CD1-SD 4.48Å; L122-M126 HydrophobicContact CG-CG 4.44Å; L122-M126 WeakPolarHBondContact O-CB 3.34Å; L122-M126 WeakPolarHBondContact O-CG 3.44Å; L122-M126 PolarHBondContact O-N 3.11Å; L122-A580 HydrophobicContact CD2-CB 3.53Å; L122-A580 HydrophobicContact CG-CB 4.1Å; L122-W583 HydrophobicContact CB-CH2 4.3Å; L122-W583 HydrophobicContact CB-CZ3 4.29Å; L122-W583 HydrophobicContact CD2-CH2 4.3Å; L122-W583 HydrophobicContact CD2-CZ3 4.39Å; L122-W583 HydrophobicContact CG-CH2 4.15Å; L122-W583 HydrophobicContact CG-CZ3 3.88Å; L122-L604 HydrophobicContact CD1-CD1 3.9Å; L122-P832 HydrophobicContact CD1-CB 4.36Å; L122-P832 HydrophobicContact CD2-CB 4.37Å; L122-W835 HydrophobicContact CB-CZ3 4.07Å; L122-W835 HydrophobicContact CD1-CE3 3.98Å; L122-W835 HydrophobicContact CD1-CZ3 3.93Å; L122-W835 HydrophobicContact CG-CZ3 4.4Å
123	K	97.9	Very high	97.3	Very high	100 Å²	100	50.1 Å²	50.1	44%	0.435	24%	0.243	S	C	.	.	H	α-helix	trans	-60	-47.9	171.3	-76.8	178	179.3	175.8	0	111.8	I119 R120 R121 L125 M126 N127 W583	I119-K123 HydrophobicContact CG2-CD 4.26Å; I119-K123 WeakPolarHBondContact O-CB 3.4Å; I119-K123 VanDerWaalsContact O-CG 3.32Å; I119-K123 WeakPolarHBondContact O-CG 3.5Å; I119-K123 PolarHBondContact O-N 3.24Å; R120-K123 PolarHBondContact O-N 2.93Å; R121-K123 PolarHBondContact O-N 2.8Å; K123-L125 VanDerWaalsContact C-N 3.31Å; K123-L125 PolarHBondContact O-N 3.32Å; K123-M126 PolarHBondContact O-N 3.08Å; K123-N127 WeakPolarHBondContact O-CB 3.22Å; K123-N127 PolarHBondContact O-N 3.18Å; K123-N127 PolarHBondContact O-ND2 3.26Å; K123-N127 PolarHBondContact O-OD1 3.3Å; K123-W583 HydrophobicContact CB-CH2 4.47Å; K123-W583 HydrophobicContact CB-CZ3 4.28Å; K123-W583 HydrophobicContact CD-CH2 4.41Å; K123-W583 HydrophobicContact CG-CE3 4.25Å; K123-W583 HydrophobicContact CG-CH2 3.43Å; K123-W583 VanDerWaalsContact CG-CH2 3.43Å; K123-W583 HydrophobicContact CG-CZ2 4.03Å; K123-W583 HydrophobicContact CG-CZ3 3.54Å
124	L	98	Very high	97.4	Very high	102 Å²	102	49.8 Å²	49.8	53%	0.534	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-40.9	178.3	-71.5	171.8	0	0	0	112	R120 R121	R120-L124 WeakPolarHBondContact O-CG 3.21Å; R120-L124 PolarHBondContact O-N 3.3Å; R121-L124 PolarHBondContact O-N 3.37Å
125	L	98.1	Very high	97.5	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.052	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-52.3	178.1	179.8	56	0	0	0	111.6	R121 L122 K123 N127 K128 G600 E603 L604 W835	R121-L125 WeakPolarHBondContact O-CB 3.4Å; R121-L125 PolarHBondContact O-N 3.23Å; L122-L125 PolarHBondContact O-N 3.05Å; K123-L125 VanDerWaalsContact C-N 3.31Å; K123-L125 PolarHBondContact O-N 3.32Å; L125-N127 VanDerWaalsContact C-N 3.35Å; L125-N127 PolarHBondContact O-N 3.17Å; L125-K128 HydrophobicContact CD1-CD 4.41Å; L125-K128 VanDerWaalsContact O-CB 3.3Å; L125-K128 WeakPolarHBondContact O-CB 3.21Å; L125-K128 WeakPolarHBondContact O-CG 3.25Å; L125-K128 PolarHBondContact O-N 3.19Å; L125-G600 VanDerWaalsContact O-CA 3.26Å; L125-G600 WeakPolarHBondContact O-CA 3.33Å; L125-E603 HydrophobicContact CD1-CB 3.84Å; L125-E603 VanDerWaalsContact CD1-CD 3.49Å; L125-E603 HydrophobicContact CD1-CG 3.68Å; L125-E603 WeakPolarHBondContact CD1-OE1 3.27Å; L125-L604 HydrophobicContact CD2-CB 3.87Å; L125-L604 HydrophobicContact CD2-CD1 4.02Å; L125-L604 HydrophobicContact CD2-CG 4.24Å; L125-L604 HydrophobicContact CG-CB 4.43Å; L125-W835 HydrophobicContact CD2-CZ2 4.21Å
126	M	98.2	Very high	97.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-72	-28.1	-176.7	-61.2	-47.5	-68.3	0	0	112.8	L122 K123 K128 N129 H585 V586 Y601 L604	L122-M126 HydrophobicContact CD1-CG 3.93Å; L122-M126 HydrophobicContact CD1-SD 4.48Å; L122-M126 HydrophobicContact CG-CG 4.44Å; L122-M126 WeakPolarHBondContact O-CB 3.34Å; L122-M126 WeakPolarHBondContact O-CG 3.44Å; L122-M126 PolarHBondContact O-N 3.11Å; K123-M126 PolarHBondContact O-N 3.08Å; M126-K128 PolarHBondContact O-N 3.08Å; M126-K128 VanDerWaalsContact O-N 3.13Å; M126-N129 VanDerWaalsContact CE-ND2 3.26Å; M126-N129 WeakPolarHBondContact CE-ND2 3.43Å; M126-N129 VanDerWaalsContact O-CB 3.31Å; M126-N129 WeakPolarHBondContact O-CB 3.34Å; M126-N129 PolarHBondContact O-N 3.2Å; M126-H585 HydrophobicContact CB-CB 4.49Å; M126-H585 WeakPolarHBondContact O-CB 3.39Å; M126-V586 HydrophobicContact CB-CG2 3.99Å; M126-V586 HydrophobicContact CE-CB 4.3Å; M126-V586 HydrophobicContact CE-CG1 4.36Å; M126-V586 HydrophobicContact CE-CG2 3.7Å; M126-V586 HydrophobicContact CG-CG2 3.78Å; M126-Y601 HydrophobicContact CE-CD1 3.89Å; M126-Y601 HydrophobicContact CE-CD2 4.1Å; M126-Y601 HydrophobicContact CE-CE1 3.78Å; M126-Y601 HydrophobicContact CE-CE2 4.01Å; M126-Y601 HydrophobicContact CE-CG 4.04Å; M126-L604 HydrophobicContact SD-CD1 3.72Å
127	N	97.5	Very high	97.8	Very high	93 Å²	93	44.2 Å²	44.2	50%	0.497	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.3	173.5	-74.3	-6.8	0	0	0	113.9	K123 L125 N129	K123-N127 WeakPolarHBondContact O-CB 3.22Å; K123-N127 PolarHBondContact O-N 3.18Å; K123-N127 PolarHBondContact O-ND2 3.26Å; K123-N127 PolarHBondContact O-OD1 3.3Å; L125-N127 VanDerWaalsContact C-N 3.35Å; L125-N127 PolarHBondContact O-N 3.17Å; N127-N129 PolarHBondContact O-N 2.98Å
128	K	98.3	Very high	97.9	Very high	89 Å²	89	42.2 Å²	42.2	39%	0.387	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-16.5	167.9	-61.3	174.6	177.6	176	0	112.4	L125 M126 T599 E603	L125-K128 HydrophobicContact CD1-CD 4.41Å; L125-K128 VanDerWaalsContact O-CB 3.3Å; L125-K128 WeakPolarHBondContact O-CB 3.21Å; L125-K128 WeakPolarHBondContact O-CG 3.25Å; L125-K128 PolarHBondContact O-N 3.19Å; M126-K128 PolarHBondContact O-N 3.08Å; M126-K128 VanDerWaalsContact O-N 3.13Å; K128-T599 WeakPolarHBondContact CB-OG1 3.29Å; K128-T599 PolarHBondContact O-OG1 3.25Å; K128-E603 IonicContact NZ-OE1 3.55Å; K128-E603 PolarHBondContact NZ-OE1 3.01Å; K128-E603 IonicContact NZ-OE2 2.75Å; K128-E603 PolarHBondContact NZ-OE2 3.34Å
129	N	98.5	Very high	97.9	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-78.7	140.1	172.6	-61.8	-27	0	0	0	111.3	M126 N127 H585 L589 Q597 V598 T599 G600 Y601	M126-N129 VanDerWaalsContact CE-ND2 3.26Å; M126-N129 WeakPolarHBondContact CE-ND2 3.43Å; M126-N129 VanDerWaalsContact O-CB 3.31Å; M126-N129 WeakPolarHBondContact O-CB 3.34Å; M126-N129 PolarHBondContact O-N 3.2Å; N127-N129 PolarHBondContact O-N 2.98Å; N129-H585 PolarHBondContact ND2-O 3.38Å; N129-H585 PolarHBondContact O-ND1 3.41Å; N129-L589 HydrophobicContact CB-CD1 3.71Å; N129-Q597 CarbonylContact C-O 3.42Å; N129-Q597 VanDerWaalsContact CA-O 3.23Å; N129-Q597 WeakPolarHBondContact CA-O 3.32Å; N129-V598 VanDerWaalsContact OD1-CA 3.25Å; N129-V598 WeakPolarHBondContact OD1-CA 3.42Å; N129-T599 PolarHBondContact OD1-N 2.69Å; N129-G600 VanDerWaalsContact OD1-CA 3.23Å; N129-G600 WeakPolarHBondContact OD1-CA 3.42Å; N129-G600 PolarHBondContact OD1-N 3.39Å; N129-Y601 WeakPolarHBondContact ND2-CD2 3.07Å; N129-Y601 PolarHBondContact OD1-N 3.44Å
130	E	98.2	Very high	98	Very high	88 Å²	88	41.1 Å²	41.1	41%	0.411	19%	0.19	S	C	.	.			trans	-101.7	107	177.6	-59	-171.6	-179.2	0	0	110.8	W132 L589 Q597	E130-W132 PolarHBondContact O-N 2.9Å; E130-W132 VanDerWaalsContact O-N 3.13Å; E130-W132 PolarHBondContact OE2-NE1 3.47Å; E130-L589 WeakPolarHBondContact O-CD2 3.32Å; E130-Q597 HydrophobicContact CB-CB 4.2Å; E130-Q597 HydrophobicContact CB-CG 4.22Å; E130-Q597 PolarHBondContact N-O 2.86Å
131	V	97.4	Very high	98.1	Very high	52 Å²	52	35.7 Å²	35.7	32%	0.315	17%	0.169	S	C	.	.			trans	-80.7	97.4	177.7	-174.7	0	0	0	0	109.6	D584 H585 K588 L589	V131-D584 WeakPolarHBondContact CG2-O 3.5Å; V131-H585 HydrophobicContact CG2-CB 4.29Å; V131-K588 HydrophobicContact CG1-CB 3.82Å; V131-L589 HydrophobicContact CG2-CD2 4.43Å; V131-L589 HydrophobicContact CG2-CG 4.36Å
132	W	98	Very high	98.2	Very high	24 Å²	24	33.6 Å²	33.6	9%	0.091	16%	0.164	C	C	.	.			trans	-97.6	152.6	175.4	-73.6	32.1	0	0	0	110.8	E130 S134 F467 R470 N472 Q597	E130-W132 PolarHBondContact O-N 2.9Å; E130-W132 VanDerWaalsContact O-N 3.13Å; E130-W132 PolarHBondContact OE2-NE1 3.47Å; W132-S134 PolarHBondContact O-N 2.86Å; W132-S134 PolarHBondContact O-OG 2.96Å; W132-F467 HydrophobicContact CH2-CB 4.33Å; W132-F467 AromaticContact CH2-CD2 3.5Å; W132-F467 HydrophobicContact CH2-CD2 3.5Å; W132-F467 AromaticContact CH2-CE2 3.87Å; W132-F467 HydrophobicContact CH2-CE2 3.87Å; W132-F467 AromaticContact CH2-CG 3.99Å; W132-F467 HydrophobicContact CH2-CG 3.99Å; W132-F467 HydrophobicContact CZ2-CD2 4.38Å; W132-F467 HydrophobicContact CZ2-CE2 4.33Å; W132-F467 HydrophobicContact CZ3-CD2 4.35Å; W132-R470 WeakPolarHBondContact CB-O 3.43Å; W132-R470 VanDerWaalsContact CD2-CA 3.47Å; W132-R470 HydrophobicContact CD2-CB 3.69Å; W132-R470 HydrophobicContact CD2-CG 4.28Å; W132-R470 VanDerWaalsContact CE3-CA 3.46Å; W132-R470 HydrophobicContact CE3-CB 4.22Å; W132-R470 HydrophobicContact CG-CB 3.85Å; W132-R470 HydrophobicContact CZ2-CB 4.33Å; W132-R470 HydrophobicContact CZ2-CG 4.05Å; W132-N472 WeakPolarHBondContact CB-ND2 3.41Å; W132-Q597 VanDerWaalsContact CE3-NE2 3.25Å
133	R	98.2	Very high	98.2	Very high	62 Å²	62	34.4 Å²	34.4	23%	0.234	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	119.9	168.9	-66	169.1	-65.2	-177.2	0.6	108	Y135 K469 R470 V471 N472 D494 D497	R133-Y135 HydrophobicContact CB-CE2 4.25Å; R133-K469 PolarHBondContact NH2-O 2.9Å; R133-R470 PolarHBondContact N-O 2.98Å; R133-V471 HydrophobicContact CB-CG2 4.44Å; R133-V471 CarbonylContact O-C 3.42Å; R133-V471 VanDerWaalsContact O-CA 3.31Å; R133-V471 WeakPolarHBondContact O-CA 3.49Å; R133-N472 PolarHBondContact O-N 3.18Å; R133-D494 WeakPolarHBondContact CD-OD1 3.36Å; R133-D494 IonicContact CZ-OD1 3.33Å; R133-D494 IonicContact NE-OD1 2.8Å; R133-D494 IonicContact NH1-OD1 3.51Å; R133-D494 PolarHBondContact NH1-OD1 3.33Å; R133-D497 IonicContact CZ-OD2 3.54Å; R133-D497 VanDerWaalsContact CZ-OD2 3.25Å; R133-D497 IonicContact NH1-OD2 3.65Å; R133-D497 PolarHBondContact NH1-OD2 2.86Å; R133-D497 IonicContact NH2-OD2 2.68Å; R133-D497 PolarHBondContact NH2-OD2 3.05Å
134	S	98.5	Very high	98.3	Very high	8 Å²	8	33.9 Å²	33.9	6%	0.056	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	107.1	-170.2	-62.5	0	0	0	0	111.3	W132 N472	W132-S134 PolarHBondContact O-N 2.86Å; W132-S134 PolarHBondContact O-OG 2.96Å; S134-N472 PolarHBondContact OG-ND2 3.13Å
135	Y	98.7	Very high	98.3	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	37.1	176.8	-54.2	-59.2	0	0	0	111.3	R133 V471 N472 L473 L484 S485 L490 D494 L498	R133-Y135 HydrophobicContact CB-CE2 4.25Å; Y135-V471 HydrophobicContact CD2-CG1 3.66Å; Y135-V471 HydrophobicContact CE2-CG1 3.94Å; Y135-N472 PolarHBondContact N-O 3.04Å; Y135-L473 HydrophobicContact CD2-CD2 4.31Å; Y135-L484 WeakPolarHBondContact O-CA 3.4Å; Y135-S485 WeakPolarHBondContact CB-O 2.93Å; Y135-S485 WeakPolarHBondContact CD1-O 3.36Å; Y135-S485 PolarHBondContact O-N 3.49Å; Y135-L490 HydrophobicContact CE1-CD1 4.15Å; Y135-L490 WeakPolarHBondContact OH-CD1 3.48Å; Y135-D494 WeakPolarHBondContact OH-CB 3.5Å; Y135-L498 HydrophobicContact CD2-CD1 4.4Å; Y135-L498 HydrophobicContact CD2-CD2 3.89Å; Y135-L498 HydrophobicContact CE2-CD1 4.08Å; Y135-L498 HydrophobicContact CE2-CD2 3.94Å; Y135-L498 HydrophobicContact CE2-CG 4.21Å
136	I	98.4	Very high	98.3	Very high	9 Å²	9	30.3 Å²	30.3	5%	0.046	15%	0.154	C	C	.	.			trans	-73.9	-40.3	-178.7	-65	166.8	0	0	0	110.9	N472 L474 H590 V593	I136-N472 HydrophobicContact CD1-CB 3.87Å; I136-N472 HydrophobicContact CG1-CB 4.01Å; I136-L474 HydrophobicContact CG2-CB 4.33Å; I136-L474 HydrophobicContact CG2-CD1 4.24Å; I136-H590 VanDerWaalsContact CG2-CE1 3.46Å; I136-H590 WeakPolarHBondContact CG2-CE1 3.44Å; I136-V593 HydrophobicContact CD1-CG1 4.42Å
137	G	98.2	Very high	98.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	76.6	-124.3	-177	0	0	0	0	0	112.5	G139 Y140 S485 H590	G137-G139 VanDerWaalsContact C-N 3.26Å; G137-G139 PolarHBondContact O-N 2.76Å; G137-Y140 PolarHBondContact O-N 2.75Å; G137-S485 VanDerWaalsContact CA-OG 3.31Å; G137-S485 WeakPolarHBondContact CA-OG 3.41Å; G137-H590 PolarHBondContact O-NE2 2.97Å
138	Q	97.7	Very high	98.3	Very high	16 Å²	16	30.8 Å²	30.8	8%	0.075	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	39	-179.2	-59.4	-169	-21.9	0	0	114.2	H228 Q230 L474 F592 Y794	Q138-H228 VanDerWaalsContact CA-CE1 3.42Å; Q138-H228 WeakPolarHBondContact CA-CE1 3.4Å; Q138-Q230 PolarHBondContact O-NE2 3.32Å; Q138-L474 HydrophobicContact CG-CD2 4.23Å; Q138-F592 HydrophobicContact CB-CD2 4.1Å; Q138-F592 HydrophobicContact CB-CE2 3.93Å; Q138-F592 VanDerWaalsContact OE1-CD2 3.25Å; Q138-Y794 PolarHBondContact OE1-OH 3.44Å
139	G	98.1	Very high	98.4	Very high	6 Å²	6	26.7 Å²	26.7	6%	0.062	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-3.4	176.7	0	0	0	0	0	114.9	G137 Y141 H228	G137-G139 VanDerWaalsContact C-N 3.26Å; G137-G139 PolarHBondContact O-N 2.76Å; G139-Y141 PolarHBondContact N-OH 3.4Å; G139-H228 PolarHBondContact N-NE2 3.38Å; G139-H228 VanDerWaalsContact N-NE2 3.13Å
140	Y	98.8	Very high	98.4	Very high	11 Å²	11	28.6 Å²	28.6	4%	0.043	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-126.1	121.8	177.1	-56.6	-89.1	0	0	0	110.2	G137 G336 H339 H590 P591 F592	G137-Y140 PolarHBondContact O-N 2.75Å; Y140-G336 WeakPolarHBondContact CE1-O 3.49Å; Y140-H339 AromaticContact CD1-CE1 3.78Å; Y140-H339 AromaticContact CD1-ND1 4Å; Y140-H339 AromaticContact CE1-CE1 3.72Å; Y140-H339 AromaticContact CE1-ND1 3.62Å; Y140-H590 PolarHBondContact O-CD2 3.41Å; Y140-H590 PolarHBondContact O-NE2 2.9Å; Y140-P591 HydrophobicContact CD1-CG 3.77Å; Y140-P591 HydrophobicContact CD2-CG 3.38Å; Y140-P591 HydrophobicContact CE1-CG 3.92Å; Y140-P591 HydrophobicContact CE2-CG 3.55Å; Y140-P591 HydrophobicContact CG-CG 3.49Å; Y140-P591 VanDerWaalsContact CG-CG 3.49Å; Y140-F592 AromaticContact CD2-CE2 3.98Å; Y140-F592 HydrophobicContact CD2-CE2 3.98Å; Y140-F592 HydrophobicContact CD2-CZ 4.26Å; Y140-F592 AromaticContact CE2-CE2 3.93Å; Y140-F592 HydrophobicContact CE2-CE2 3.93Å; Y140-F592 AromaticContact CE2-CZ 3.76Å; Y140-F592 HydrophobicContact CE2-CZ 3.76Å
141	Y	98.8	Very high	98.4	Very high	18 Å²	18	33 Å²	33	7%	0.071	17%	0.169	C	C	.	.			trans	-133.3	144	-172.4	-49.3	-86.4	0	0	0	110.2	G139 T143 Q327 R328	G139-Y141 PolarHBondContact N-OH 3.4Å; Y141-T143 PolarHBondContact O-N 3.14Å; Y141-Q327 PolarHBondContact O-NE2 3.41Å; Y141-Q327 PolarHBondContact O-OE1 2.66Å; Y141-R328 HydrophobicContact CD2-CB 4.48Å
142	G	98.4	Very high	98.4	Very high	9 Å²	9	32.4 Å²	32.4	9%	0.093	16%	0.164	C	C	.	.			trans	-58.3	133.6	171.6	0	0	0	0	0	111.2	D487 E488	G142-D487 VanDerWaalsContact CA-CG 3.43Å; G142-D487 VanDerWaalsContact CA-OD2 3.25Å; G142-D487 WeakPolarHBondContact CA-OD2 3.44Å; G142-D487 PolarHBondContact N-OD2 3.14Å; G142-D487 WeakPolarHBondContact O-CB 3.37Å; G142-E488 PolarHBondContact O-N 3.13Å
143	T	98.7	Very high	98.5	Very high	19 Å²	19	31.3 Å²	31.3	12%	0.117	16%	0.16	C	C	.	.			trans	-139.3	156.5	176.6	-177.5	0	0	0	0	110.2	Y141 R328 G330 I331 E488	Y141-T143 PolarHBondContact O-N 3.14Å; T143-R328 PolarHBondContact OG1-O 3.01Å; T143-R328 VanDerWaalsContact OG1-O 3.12Å; T143-G330 PolarHBondContact OG1-N 3.3Å; T143-I331 WeakPolarHBondContact CG2-O 3.48Å; T143-E488 WeakPolarHBondContact CA-OE2 3.45Å; T143-E488 PolarHBondContact OG1-OE2 3.3Å
144	I	98.5	Very high	98.5	Very high	90 Å²	90	30.2 Å²	30.2	46%	0.462	16%	0.157	S	C	.	.			trans	-95.3	106.5	174.2	-59.1	174.6	0	0	0	107.6	P146 E488 T489	I144-P146 VanDerWaalsContact O-CD 3.24Å; I144-P146 WeakPolarHBondContact O-CD 3.4Å; I144-E488 HydrophobicContact CB-CG 4.47Å; I144-E488 HydrophobicContact CD1-CG 3.98Å; I144-E488 HydrophobicContact CG1-CG 4.01Å; I144-E488 PolarHBondContact N-OE2 3.08Å; I144-T489 HydrophobicContact CG1-CG2 4.42Å
145	T	98.5	Very high	98.4	Very high	24 Å²	24	34 Å²	34	15%	0.147	17%	0.174	C	C	.	.			trans	-69.7	117.8	167.5	-57.1	0	0	0	0	109	S147 L150 G330 P332 M400	T145-S147 PolarHBondContact O-N 3.43Å; T145-L150 HydrophobicContact CG2-CB 3.9Å; T145-G330 WeakPolarHBondContact CA-O 3.37Å; T145-G330 VanDerWaalsContact CB-O 3.26Å; T145-G330 WeakPolarHBondContact CB-O 3.45Å; T145-G330 VanDerWaalsContact CG2-O 3.23Å; T145-G330 WeakPolarHBondContact CG2-O 3.47Å; T145-G330 PolarHBondContact OG1-O 3.17Å; T145-P332 WeakPolarHBondContact OG1-CD 3.37Å; T145-M400 HydrophobicContact CG2-CE 4.27Å
146	P	98.6	Very high	98.4	Very high	13 Å²	13	35.1 Å²	35.1	8%	0.084	18%	0.18	C	C	.	.			trans	-59.2	125.3	176.2	-25.2	36.7	0	0	0	110.1	I144 T148 I149 L150 Y404 Y407	I144-P146 VanDerWaalsContact O-CD 3.24Å; I144-P146 WeakPolarHBondContact O-CD 3.4Å; P146-T148 HydrophobicContact CB-CG2 4.33Å; P146-T148 PolarHBondContact O-N 3.27Å; P146-I149 HydrophobicContact CB-CB 4.48Å; P146-I149 HydrophobicContact CB-CD1 4.12Å; P146-I149 HydrophobicContact CB-CG1 4.21Å; P146-I149 HydrophobicContact CG-CD1 3.93Å; P146-I149 PolarHBondContact O-N 3.26Å; P146-L150 PolarHBondContact O-N 3.44Å; P146-Y404 HydrophobicContact CG-CD2 3.9Å; P146-Y404 HydrophobicContact CG-CE2 4.28Å; P146-Y407 HydrophobicContact CB-CD1 4.1Å; P146-Y407 HydrophobicContact CB-CE1 4.11Å; P146-Y407 HydrophobicContact CG-CD1 4.1Å; P146-Y407 HydrophobicContact CG-CE1 4.48Å
147	S	98.2	Very high	98.4	Very high	96 Å²	96	37.1 Å²	37.1	67%	0.671	19%	0.193	S	C	*	.	H	α-helix	trans	-55.9	-30.9	-175	-53.5	0	0	0	0	113	T145 R151	T145-S147 PolarHBondContact O-N 3.43Å; S147-R151 WeakPolarHBondContact O-CB 3.37Å; S147-R151 PolarHBondContact O-N 2.87Å
148	T	98.5	Very high	98.4	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.043	19%	0.194	C	C	.	.	H	α-helix	trans	-67.3	-35.8	175.2	-169.8	0	0	0	0	112.8	P146 N152 E541 L544	P146-T148 HydrophobicContact CB-CG2 4.33Å; P146-T148 PolarHBondContact O-N 3.27Å; T148-N152 VanDerWaalsContact O-CB 3.23Å; T148-N152 WeakPolarHBondContact O-CB 3.27Å; T148-N152 PolarHBondContact O-N 3.39Å; T148-N152 PolarHBondContact O-ND2 2.73Å; T148-N152 PolarHBondContact OG1-ND2 2.82Å; T148-E541 HydrophobicContact CG2-CG 4.23Å; T148-L544 HydrophobicContact CG2-CD2 3.71Å
149	I	98.8	Very high	98.4	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-75	-42.2	175.1	-62.1	175	0	0	0	109.9	P146 R151 I153 F154 M400 F403 L544 M548	P146-I149 HydrophobicContact CB-CB 4.48Å; P146-I149 HydrophobicContact CB-CD1 4.12Å; P146-I149 HydrophobicContact CB-CG1 4.21Å; P146-I149 HydrophobicContact CG-CD1 3.93Å; P146-I149 PolarHBondContact O-N 3.26Å; I149-R151 PolarHBondContact O-N 2.93Å; I149-I153 HydrophobicContact CG2-CB 4.27Å; I149-I153 HydrophobicContact CG2-CG1 4.12Å; I149-I153 VanDerWaalsContact O-CB 3.29Å; I149-I153 WeakPolarHBondContact O-CB 3.45Å; I149-I153 PolarHBondContact O-N 2.93Å; I149-F154 PolarHBondContact O-N 3.24Å; I149-M400 HydrophobicContact CG2-CB 4.3Å; I149-M400 HydrophobicContact CG2-CE 4.38Å; I149-M400 HydrophobicContact CG2-CG 4.14Å; I149-F403 HydrophobicContact CD1-CB 3.72Å; I149-F403 HydrophobicContact CG1-CB 4.1Å; I149-F403 HydrophobicContact CG2-CB 4.45Å; I149-L544 HydrophobicContact CD1-CD2 4.3Å; I149-L544 HydrophobicContact CG1-CD2 3.91Å; I149-M548 HydrophobicContact CG1-SD 4.28Å
150	L	98.3	Very high	98.4	Very high	43 Å²	43	37.3 Å²	37.3	23%	0.225	19%	0.192	C	C	.	.	I	π-helix	trans	-53.6	-54.7	175	178.2	62.5	0	0	0	110.6	T145 P146 F154 E155	T145-L150 HydrophobicContact CG2-CB 3.9Å; P146-L150 PolarHBondContact O-N 3.44Å; L150-F154 HydrophobicContact CD1-CB 4.19Å; L150-F154 HydrophobicContact CD1-CD1 3.75Å; L150-F154 HydrophobicContact CD1-CG 4.27Å; L150-F154 WeakPolarHBondContact O-CB 3.33Å; L150-F154 PolarHBondContact O-N 2.79Å; L150-E155 HydrophobicContact CD1-CG 4.4Å; L150-E155 PolarHBondContact O-N 2.9Å
151	R	98.4	Very high	98.4	Very high	181 Å²	181	37.1 Å²	37.1	68%	0.683	19%	0.192	S	C	*	.	I	π-helix	trans	-69.6	-42.6	-175.7	-174.8	171.3	-175.5	152.1	3.1	113.6	S147 I149	S147-R151 WeakPolarHBondContact O-CB 3.37Å; S147-R151 PolarHBondContact O-N 2.87Å; I149-R151 PolarHBondContact O-N 2.93Å
152	N	98.6	Very high	98.4	Very high	40 Å²	40	36.3 Å²	36.3	21%	0.214	19%	0.189	C	C	.	.	I	π-helix	trans	-98	-8	-168.3	-58.6	-72.2	0	0	0	114.2	T148 N156 L545 M548	T148-N152 VanDerWaalsContact O-CB 3.23Å; T148-N152 WeakPolarHBondContact O-CB 3.27Å; T148-N152 PolarHBondContact O-N 3.39Å; T148-N152 PolarHBondContact O-ND2 2.73Å; T148-N152 PolarHBondContact OG1-ND2 2.82Å; N152-N156 WeakPolarHBondContact O-CB 3.25Å; N152-N156 PolarHBondContact O-ND2 3.48Å; N152-L545 HydrophobicContact CB-CD1 4.4Å; N152-M548 HydrophobicContact CB-CE 3.79Å; N152-M548 HydrophobicContact CB-SD 4.35Å
153	I	98.6	Very high	98.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-119.2	-63.4	174	-53.9	-62.7	0	0	0	110.7	I149 N156 W159 L396 M400 F403 M548	I149-I153 HydrophobicContact CG2-CB 4.27Å; I149-I153 HydrophobicContact CG2-CG1 4.12Å; I149-I153 VanDerWaalsContact O-CB 3.29Å; I149-I153 WeakPolarHBondContact O-CB 3.45Å; I149-I153 PolarHBondContact O-N 2.93Å; I153-N156 PolarHBondContact O-N 2.98Å; I153-W159 HydrophobicContact CD1-CD2 3.7Å; I153-W159 HydrophobicContact CD1-CE3 4.43Å; I153-W159 HydrophobicContact CD1-CG 3.92Å; I153-W159 HydrophobicContact CD1-CZ2 3.78Å; I153-W159 VanDerWaalsContact CD1-NE1 3.31Å; I153-W159 HydrophobicContact CG2-CB 4.34Å; I153-W159 HydrophobicContact CG2-CD2 4.31Å; I153-W159 HydrophobicContact CG2-CG 4.23Å; I153-L396 HydrophobicContact CG2-CD1 3.83Å; I153-M400 HydrophobicContact CB-CG 4.48Å; I153-M400 HydrophobicContact CG2-CG 3.86Å; I153-F403 HydrophobicContact CD1-CD2 3.79Å; I153-F403 HydrophobicContact CD1-CE2 3.38Å; I153-F403 HydrophobicContact CD1-CZ 4.01Å; I153-F403 HydrophobicContact CG1-CD2 3.8Å; I153-F403 HydrophobicContact CG1-CE2 3.94Å; I153-M548 HydrophobicContact CD1-CB 3.94Å; I153-M548 HydrophobicContact CD1-CG 3.79Å; I153-M548 HydrophobicContact CD1-SD 3.64Å; I153-M548 HydrophobicContact CG1-CG 4.28Å; I153-M548 HydrophobicContact CG1-SD 3.48Å; I153-M548 WeakPolarHBondContact CG1-SD 3.35Å
154	F	98.2	Very high	98.3	Very high	40 Å²	40	35.4 Å²	35.4	18%	0.175	18%	0.181	C	C	.	.	I	π-helix	trans	-67.4	-40.4	-173	-174.7	-101.3	0	0	0	112.3	I149 L150 Y160 L396 M400 C581	I149-F154 PolarHBondContact O-N 3.24Å; L150-F154 HydrophobicContact CD1-CB 4.19Å; L150-F154 HydrophobicContact CD1-CD1 3.75Å; L150-F154 HydrophobicContact CD1-CG 4.27Å; L150-F154 WeakPolarHBondContact O-CB 3.33Å; L150-F154 PolarHBondContact O-N 2.79Å; F154-Y160 WeakPolarHBondContact O-CD1 3.43Å; F154-L396 HydrophobicContact CD2-CD2 4.4Å; F154-M400 HydrophobicContact CB-CE 3.99Å; F154-M400 HydrophobicContact CB-SD 3.91Å; F154-M400 HydrophobicContact CD2-CE 4.28Å; F154-M400 HydrophobicContact CD2-SD 3.7Å; F154-M400 HydrophobicContact CG-CE 4.38Å; F154-M400 HydrophobicContact CG-SD 4.22Å; F154-C581 HydrophobicContact CE1-CB 3.92Å; F154-C581 HydrophobicContact CZ-CB 3.87Å
155	E	98.3	Very high	98.3	Very high	87 Å²	87	31.2 Å²	31.2	41%	0.407	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	14.9	179	-59.7	-179.7	150.6	0	0	113.1	L150 S582	L150-E155 HydrophobicContact CD1-CG 4.4Å; L150-E155 PolarHBondContact O-N 2.9Å; E155-S582 WeakPolarHBondContact OE1-CB 3.17Å; E155-S582 PolarHBondContact OE1-OG 3.49Å
156	N	98.3	Very high	98.2	Very high	25 Å²	25	33.8 Å²	33.8	13%	0.134	17%	0.167	C	C	.	.			trans	-111.3	113.8	-176.7	-175.3	-7.5	0	0	0	112.2	N152 I153 G158 W159 Y160 E552	N152-N156 WeakPolarHBondContact O-CB 3.25Å; N152-N156 PolarHBondContact O-ND2 3.48Å; I153-N156 PolarHBondContact O-N 2.98Å; N156-G158 PolarHBondContact O-N 3.42Å; N156-G158 VanDerWaalsContact O-N 3.12Å; N156-G158 PolarHBondContact OD1-N 3.44Å; N156-W159 PolarHBondContact O-N 2.99Å; N156-Y160 WeakPolarHBondContact O-CD1 3.38Å; N156-Y160 PolarHBondContact O-N 3.31Å; N156-E552 PolarHBondContact ND2-OE2 3.06Å
157	P	98	Very high	98.2	Very high	51 Å²	51	33.3 Å²	33.3	33%	0.331	16%	0.164	S	C	.	.	H	α-helix	trans	-61	-23	179.9	22.1	-31.5	0	0	0	113.9	W159 Y160 T161	P157-W159 PolarHBondContact O-N 2.87Å; P157-Y160 VanDerWaalsContact CA-CE1 3.42Å; P157-Y160 HydrophobicContact CB-CE1 4.09Å; P157-Y160 HydrophobicContact CB-CE2 3.99Å; P157-Y160 WeakPolarHBondContact CB-OH 3.35Å; P157-T161 HydrophobicContact CB-CG2 3.81Å; P157-T161 WeakPolarHBondContact O-CB 3.45Å; P157-T161 VanDerWaalsContact O-CG2 3.32Å; P157-T161 WeakPolarHBondContact O-CG2 3.42Å; P157-T161 PolarHBondContact O-N 2.92Å; P157-T161 PolarHBondContact O-OG1 3.14Å
158	G	97.9	Very high	98.2	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-59	-26.7	171.9	0	0	0	0	0	113.3	N156	N156-G158 PolarHBondContact O-N 3.42Å; N156-G158 VanDerWaalsContact O-N 3.12Å; N156-G158 PolarHBondContact OD1-N 3.44Å
159	W	98.6	Very high	98.2	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.027	13%	0.132	C	C	.	.	H	α-helix	trans	-100.6	-41.2	-179.8	-80.4	91.7	0	0	0	113.9	I153 N156 P157 R174 L396 N399 F403 L551 E552	I153-W159 HydrophobicContact CD1-CD2 3.7Å; I153-W159 HydrophobicContact CD1-CE3 4.43Å; I153-W159 HydrophobicContact CD1-CG 3.92Å; I153-W159 HydrophobicContact CD1-CZ2 3.78Å; I153-W159 VanDerWaalsContact CD1-NE1 3.31Å; I153-W159 HydrophobicContact CG2-CB 4.34Å; I153-W159 HydrophobicContact CG2-CD2 4.31Å; I153-W159 HydrophobicContact CG2-CG 4.23Å; N156-W159 PolarHBondContact O-N 2.99Å; P157-W159 PolarHBondContact O-N 2.87Å; W159-R174 HydrophobicContact CZ3-CB 4.24Å; W159-L396 HydrophobicContact CB-CD1 4.25Å; W159-N399 HydrophobicContact CZ3-CB 4.33Å; W159-F403 AromaticContact CH2-CE2 3.61Å; W159-F403 HydrophobicContact CH2-CE2 3.61Å; W159-F403 AromaticContact CH2-CZ 3.53Å; W159-F403 HydrophobicContact CH2-CZ 3.53Å; W159-F403 AromaticContact CZ2-CE2 3.85Å; W159-F403 HydrophobicContact CZ2-CE2 3.85Å; W159-F403 AromaticContact CZ2-CZ 3.65Å; W159-F403 HydrophobicContact CZ2-CZ 3.65Å; W159-F403 HydrophobicContact CZ3-CE2 4.05Å; W159-F403 HydrophobicContact CZ3-CZ 4.39Å; W159-L551 HydrophobicContact CH2-CB 3.86Å; W159-L551 HydrophobicContact CH2-CD1 4.31Å; W159-L551 HydrophobicContact CZ2-CB 3.78Å; W159-E552 HydrophobicContact CZ2-CB 4.49Å
160	Y	98.4	Very high	98.2	Very high	17 Å²	17	29.2 Å²	29.2	7%	0.067	14%	0.135	C	C	.	.	H	α-helix	trans	-90.5	-17.3	-171.2	68.2	-116.3	0	0	0	115	F154 N156 P157 N573 L578 P769 H770 G771	F154-Y160 WeakPolarHBondContact O-CD1 3.43Å; N156-Y160 WeakPolarHBondContact O-CD1 3.38Å; N156-Y160 PolarHBondContact O-N 3.31Å; P157-Y160 VanDerWaalsContact CA-CE1 3.42Å; P157-Y160 HydrophobicContact CB-CE1 4.09Å; P157-Y160 HydrophobicContact CB-CE2 3.99Å; P157-Y160 WeakPolarHBondContact CB-OH 3.35Å; Y160-N573 HydrophobicContact CE2-CB 4.07Å; Y160-L578 HydrophobicContact CE1-CD1 4.16Å; Y160-L578 HydrophobicContact CE2-CD1 3.65Å; Y160-L578 VanDerWaalsContact CZ-CD1 3.44Å; Y160-L578 VanDerWaalsContact OH-CD1 3.29Å; Y160-L578 WeakPolarHBondContact OH-CD1 3.29Å; Y160-P769 HydrophobicContact CD2-CB 3.54Å; Y160-P769 HydrophobicContact CD2-CG 4.3Å; Y160-P769 HydrophobicContact CE2-CB 4.39Å; Y160-P769 HydrophobicContact CG-CB 4.11Å; Y160-P769 WeakPolarHBondContact O-CB 3.27Å; Y160-H770 PolarHBondContact O-N 3.02Å; Y160-G771 WeakPolarHBondContact O-CA 3.47Å; Y160-G771 PolarHBondContact O-N 2.97Å
161	T	98.6	Very high	98.2	Very high	8 Å²	8	27.2 Å²	27.2	5%	0.049	12%	0.124	C	C	.	.	S	Bend	trans	-87.4	-22.6	-173.8	61.4	0	0	0	0	114.1	P157 S557 L558 M570	P157-T161 HydrophobicContact CB-CG2 3.81Å; P157-T161 WeakPolarHBondContact O-CB 3.45Å; P157-T161 VanDerWaalsContact O-CG2 3.32Å; P157-T161 WeakPolarHBondContact O-CG2 3.42Å; P157-T161 PolarHBondContact O-N 2.92Å; P157-T161 PolarHBondContact O-OG1 3.14Å; T161-S557 WeakPolarHBondContact OG1-CB 3.43Å; T161-L558 HydrophobicContact CG2-CB 4.23Å; T161-L558 PolarHBondContact OG1-N 3.19Å; T161-M570 WeakPolarHBondContact O-CE 3.43Å
162	S	97.4	Very high	98.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.007	9%	0.093	C	C	.	.			trans	-69.7	162.9	174.2	69.3	0	0	0	0	110.7	I556 H770 G771 G772	S162-I556 WeakPolarHBondContact CB-O 3.25Å; S162-H770 CarbonylContact O-C 3.46Å; S162-H770 VanDerWaalsContact O-CB 3.27Å; S162-H770 WeakPolarHBondContact O-CB 3.31Å; S162-G771 PolarHBondContact O-N 3.05Å; S162-G772 WeakPolarHBondContact O-CA 3.34Å; S162-G772 PolarHBondContact O-N 3.49Å
163	Y	98.3	Very high	98.2	Very high	8 Å²	8	17 Å²	17	3%	0.031	8%	0.083	C	C	.	.			trans	-114.3	-162.4	174.9	-162.3	-151.2	0	0	0	111.9	R174 T392 L565 C568 M570 H770 G772	Y163-R174 PolarHBondContact O-NE 3.17Å; Y163-R174 VanDerWaalsContact O-NE 3.08Å; Y163-R174 PolarHBondContact O-NH2 3.29Å; Y163-T392 HydrophobicContact CE2-CG2 4.49Å; Y163-T392 PolarHBondContact OH-OG1 3.25Å; Y163-L565 HydrophobicContact CD1-CD1 4.36Å; Y163-C568 HydrophobicContact CD1-CB 4.1Å; Y163-C568 HydrophobicContact CE1-CB 4.17Å; Y163-M570 HydrophobicContact CG-SD 4.45Å; Y163-H770 HydrophobicContact CD2-CB 3.58Å; Y163-H770 AromaticContact CD2-CD2 3.8Å; Y163-H770 HydrophobicContact CE2-CB 4.39Å; Y163-H770 HydrophobicContact CG-CB 3.92Å; Y163-H770 AromaticContact CG-CD2 3.73Å; Y163-G772 CarbonylContact O-C 3.56Å; Y163-G772 VanDerWaalsContact O-C 3.26Å; Y163-G772 VanDerWaalsContact O-CA 3.3Å; Y163-G772 WeakPolarHBondContact O-CA 3.36Å
164	T	97.7	Very high	98.2	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	8%	0.083	C	C	.	.	S	Bend	trans	-46.7	134.1	179.9	-59.6	0	0	0	0	110.8	Y166 L372	T164-Y166 HydrophobicContact CG2-CD1 3.89Å; T164-Y166 HydrophobicContact CG2-CD2 4.35Å; T164-Y166 HydrophobicContact CG2-CE1 3.52Å; T164-Y166 HydrophobicContact CG2-CE2 4.03Å; T164-Y166 HydrophobicContact CG2-CG 4.29Å; T164-Y166 WeakPolarHBondContact O-CD2 3.49Å; T164-Y166 PolarHBondContact O-N 3.04Å; T164-L372 HydrophobicContact CG2-CD1 3.93Å
165	P	97.9	Very high	98.2	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.013	8%	0.075	C	C	.	.			trans	-74.7	58.3	-174.7	32	-38	0	0	0	112.9	Q167 R174 L175 L372	P165-Q167 PolarHBondContact O-N 2.63Å; P165-R174 HydrophobicContact CB-CG 4.34Å; P165-L175 HydrophobicContact CB-CD1 4.07Å; P165-L175 HydrophobicContact CB-CD2 3.87Å; P165-L175 HydrophobicContact CB-CG 3.79Å; P165-L175 HydrophobicContact CG-CD2 3.52Å; P165-L175 HydrophobicContact CG-CG 3.97Å; P165-L372 HydrophobicContact CG-CD1 4.24Å; P165-L372 HydrophobicContact CG-CD2 3.99Å; P165-L372 HydrophobicContact CG-CG 4.12Å
166	Y	97	Very high	98.2	Very high	77 Å²	77	12.2 Å²	12.2	30%	0.302	6%	0.061	S	C	.	.	S	Bend	trans	-62.6	-28.8	176.2	-62	-57.4	0	0	0	112.3	T164 P168	T164-Y166 HydrophobicContact CG2-CD1 3.89Å; T164-Y166 HydrophobicContact CG2-CD2 4.35Å; T164-Y166 HydrophobicContact CG2-CE1 3.52Å; T164-Y166 HydrophobicContact CG2-CE2 4.03Å; T164-Y166 HydrophobicContact CG2-CG 4.29Å; T164-Y166 WeakPolarHBondContact O-CD2 3.49Å; T164-Y166 PolarHBondContact O-N 3.04Å; Y166-P168 WeakPolarHBondContact O-CD 3.24Å
167	Q	98	Very high	98.3	Very high	3 Å²	3	11 Å²	11	1%	0.014	5%	0.054	C	C	.	.	S	Bend	trans	-108.4	84.7	177	-62.8	-58.6	-24.9	0	0	110	P165 E169 I170 S171 M905 H910 M914	P165-Q167 PolarHBondContact O-N 2.63Å; Q167-E169 VanDerWaalsContact C-N 3.3Å; Q167-E169 PolarHBondContact O-N 2.88Å; Q167-I170 HydrophobicContact CB-CD1 3.99Å; Q167-I170 HydrophobicContact CB-CG1 3.87Å; Q167-I170 WeakPolarHBondContact O-CG1 3.29Å; Q167-I170 PolarHBondContact O-N 2.68Å; Q167-S171 VanDerWaalsContact O-CB 3.32Å; Q167-S171 WeakPolarHBondContact O-CB 3.44Å; Q167-S171 PolarHBondContact O-OG 3.11Å; Q167-M905 HydrophobicContact CB-CE 3.72Å; Q167-M905 HydrophobicContact CG-CE 4.11Å; Q167-H910 WeakPolarHBondContact CG-CE1 3.29Å; Q167-M914 PolarHBondContact NE2-SD 3.42Å
168	P	98.1	Very high	98.3	Very high	8 Å²	8	8.6 Å²	8.6	5%	0.052	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-62.2	-30.8	-168.4	21.1	-32.5	0	0	0	114.6	Y166 I170 S171 Q172 L175 R371 L1015	Y166-P168 WeakPolarHBondContact O-CD 3.24Å; P168-I170 PolarHBondContact O-N 3.01Å; P168-S171 CarbonylContact O-C 3.59Å; P168-S171 PolarHBondContact O-N 2.95Å; P168-Q172 PolarHBondContact O-N 3.24Å; P168-Q172 PolarHBondContact O-NE2 2.64Å; P168-L175 HydrophobicContact CB-CD1 3.79Å; P168-R371 HydrophobicContact CB-CB 4.34Å; P168-L1015 HydrophobicContact CB-CD1 4.08Å; P168-L1015 HydrophobicContact CB-CD2 3.77Å; P168-L1015 HydrophobicContact CG-CB 4.38Å; P168-L1015 HydrophobicContact CG-CD1 4.01Å; P168-L1015 HydrophobicContact CG-CD2 3.82Å; P168-L1015 HydrophobicContact CG-CG 4.3Å
169	E	98.5	Very high	98.3	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.005	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-65.2	-23.9	-174.9	-61.3	86.3	166.3	0	0	113.7	Q167 K902 M905 P968 T1011 V1012 S1013 L1015	Q167-E169 VanDerWaalsContact C-N 3.3Å; Q167-E169 PolarHBondContact O-N 2.88Å; E169-K902 VanDerWaalsContact CD-NZ 3.3Å; E169-K902 WeakPolarHBondContact OE1-CE 3.3Å; E169-K902 IonicContact OE1-NZ 2.88Å; E169-K902 PolarHBondContact OE1-NZ 3Å; E169-K902 VanDerWaalsContact OE1-NZ 3.12Å; E169-K902 IonicContact OE2-NZ 3.04Å; E169-K902 PolarHBondContact OE2-NZ 2.87Å; E169-M905 HydrophobicContact CB-CE 4.39Å; E169-M905 HydrophobicContact CB-SD 3.86Å; E169-P968 HydrophobicContact CB-CG 3.79Å; E169-P968 HydrophobicContact CG-CG 3.69Å; E169-T1011 PolarHBondContact O-N 3.08Å; E169-T1011 VanDerWaalsContact O-N 3.07Å; E169-T1011 PolarHBondContact O-OG1 2.82Å; E169-V1012 HydrophobicContact CB-CG2 4.17Å; E169-V1012 HydrophobicContact CG-CG2 4.16Å; E169-S1013 WeakPolarHBondContact CG-O 3.39Å; E169-L1015 HydrophobicContact CG-CD1 3.63Å; E169-L1015 PolarHBondContact OE1-N 3.06Å; E169-L1015 VanDerWaalsContact OE1-N 3.11Å
170	I	98.4	Very high	98.3	Very high	11 Å²	11	8.2 Å²	8.2	6%	0.056	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-117	24.8	176.9	61.6	-177.4	0	0	0	111.4	Q167 P168 K554 D555 I556 M905 H910 P1010	Q167-I170 HydrophobicContact CB-CD1 3.99Å; Q167-I170 HydrophobicContact CB-CG1 3.87Å; Q167-I170 WeakPolarHBondContact O-CG1 3.29Å; Q167-I170 PolarHBondContact O-N 2.68Å; P168-I170 PolarHBondContact O-N 3.01Å; I170-K554 CarbonylContact C-O 3.5Å; I170-K554 VanDerWaalsContact C-O 3.31Å; I170-D555 WeakPolarHBondContact O-CA 3.24Å; I170-I556 HydrophobicContact CB-CB 4.3Å; I170-I556 HydrophobicContact CB-CG2 4.06Å; I170-I556 HydrophobicContact CD1-CB 4.33Å; I170-I556 HydrophobicContact CD1-CG2 3.51Å; I170-I556 HydrophobicContact CG1-CG2 3.77Å; I170-I556 PolarHBondContact O-N 3.46Å; I170-M905 HydrophobicContact CD1-CE 4.15Å; I170-M905 HydrophobicContact CD1-CG 4.1Å; I170-M905 HydrophobicContact CD1-SD 4.4Å; I170-M905 HydrophobicContact CG1-CE 4.31Å; I170-M905 HydrophobicContact CG2-CB 4.23Å; I170-M905 HydrophobicContact CG2-CG 4.17Å; I170-M905 HydrophobicContact CG2-SD 3.94Å; I170-H910 HydrophobicContact CD1-CB 4.15Å; I170-P1010 HydrophobicContact CG2-CB 4.37Å; I170-P1010 HydrophobicContact CG2-CG 4.45Å
171	S	98.7	Very high	98.3	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	3%	0.033	C	C	.	.	B	Isolated β-bridge	trans	-142.8	16	-177.1	-52.2	0	0	0	0	113.4	Q167 P168 G173 R174 L175 D555	Q167-S171 VanDerWaalsContact O-CB 3.32Å; Q167-S171 WeakPolarHBondContact O-CB 3.44Å; Q167-S171 PolarHBondContact O-OG 3.11Å; P168-S171 CarbonylContact O-C 3.59Å; P168-S171 PolarHBondContact O-N 2.95Å; S171-G173 PolarHBondContact O-N 2.82Å; S171-R174 VanDerWaalsContact CB-CZ 3.42Å; S171-R174 VanDerWaalsContact CB-NH1 3.3Å; S171-R174 VanDerWaalsContact OG-CZ 3.29Å; S171-R174 PolarHBondContact OG-NH1 3.4Å; S171-R174 PolarHBondContact OG-NH2 3.38Å; S171-L175 WeakPolarHBondContact O-CB 3.43Å; S171-L175 WeakPolarHBondContact O-CD1 3.48Å; S171-L175 VanDerWaalsContact O-CG 3.23Å; S171-L175 WeakPolarHBondContact O-CG 3.47Å; S171-L175 PolarHBondContact O-N 3.31Å; S171-L175 VanDerWaalsContact O-N 3.16Å; S171-D555 WeakPolarHBondContact CA-OD1 3.37Å
172	Q	98.7	Very high	98.4	Very high	6 Å²	6	7 Å²	7	3%	0.028	3%	0.031	C	C	.	.	H	α-helix	trans	-64	-26.4	-174.4	-73.4	-59.8	-69.2	0	0	113.1	P168 E176 Y370 K554 D555 T1011 V1012	P168-Q172 PolarHBondContact O-N 3.24Å; P168-Q172 PolarHBondContact O-NE2 2.64Å; Q172-E176 VanDerWaalsContact O-CB 3.22Å; Q172-E176 WeakPolarHBondContact O-CB 3.25Å; Q172-E176 PolarHBondContact O-N 3.18Å; Q172-Y370 PolarHBondContact NE2-O 3.24Å; Q172-K554 HydrophobicContact CB-CB 4.24Å; Q172-K554 HydrophobicContact CB-CD 3.86Å; Q172-D555 PolarHBondContact N-OD1 3.34Å; Q172-T1011 WeakPolarHBondContact CG-OG1 3.37Å; Q172-V1012 HydrophobicContact CG-CG1 4.09Å; Q172-V1012 HydrophobicContact CG-CG2 3.75Å
173	G	98.6	Very high	98.4	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.8	-59.9	179.6	0	0	0	0	0	112.5	S171 L175 E176 S177 L551 D555	S171-G173 PolarHBondContact O-N 2.82Å; G173-L175 VanDerWaalsContact C-N 3.3Å; G173-L175 PolarHBondContact O-N 3.03Å; G173-E176 PolarHBondContact O-N 2.86Å; G173-S177 PolarHBondContact O-N 3.11Å; G173-L551 VanDerWaalsContact CA-O 3.32Å; G173-L551 WeakPolarHBondContact CA-O 3.43Å; G173-D555 WeakPolarHBondContact CA-OD1 3.36Å; G173-D555 PolarHBondContact N-OD1 2.85Å
174	R	98.6	Very high	98.4	Very high	3 Å²	3	6.6 Å²	6.6	1%	0.011	3%	0.029	C	C	.	.	H	α-helix	trans	-67	-30.8	176.5	70.7	-171.3	172.1	-77.8	5.4	112.9	W159 Y163 P165 S171 S177 L178 D555	W159-R174 HydrophobicContact CZ3-CB 4.24Å; Y163-R174 PolarHBondContact O-NE 3.17Å; Y163-R174 VanDerWaalsContact O-NE 3.08Å; Y163-R174 PolarHBondContact O-NH2 3.29Å; P165-R174 HydrophobicContact CB-CG 4.34Å; S171-R174 VanDerWaalsContact CB-CZ 3.42Å; S171-R174 VanDerWaalsContact CB-NH1 3.3Å; S171-R174 VanDerWaalsContact OG-CZ 3.29Å; S171-R174 PolarHBondContact OG-NH1 3.4Å; S171-R174 PolarHBondContact OG-NH2 3.38Å; R174-S177 PolarHBondContact O-N 2.95Å; R174-L178 WeakPolarHBondContact O-CB 3.21Å; R174-L178 VanDerWaalsContact O-CG 3.27Å; R174-L178 WeakPolarHBondContact O-CG 3.48Å; R174-L178 PolarHBondContact O-N 3.12Å; R174-D555 WeakPolarHBondContact CB-OD2 3.41Å; R174-D555 WeakPolarHBondContact CD-OD2 3.34Å; R174-D555 WeakPolarHBondContact CG-OD2 3.43Å; R174-D555 IonicContact CZ-OD2 3Å; R174-D555 PolarHBondContact N-OD1 3.1Å; R174-D555 PolarHBondContact N-OD2 2.95Å; R174-D555 IonicContact NH1-OD1 3.13Å; R174-D555 IonicContact NH1-OD2 2.73Å; R174-D555 PolarHBondContact NH1-OD2 3.05Å
175	L	98.8	Very high	98.5	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.1	-44.5	173	-74.5	167.7	0	0	0	111.6	P165 P168 S171 G173 L178 F179 V358 Y370 L372	P165-L175 HydrophobicContact CB-CD1 4.07Å; P165-L175 HydrophobicContact CB-CD2 3.87Å; P165-L175 HydrophobicContact CB-CG 3.79Å; P165-L175 HydrophobicContact CG-CD2 3.52Å; P165-L175 HydrophobicContact CG-CG 3.97Å; P168-L175 HydrophobicContact CB-CD1 3.79Å; S171-L175 WeakPolarHBondContact O-CB 3.43Å; S171-L175 WeakPolarHBondContact O-CD1 3.48Å; S171-L175 VanDerWaalsContact O-CG 3.23Å; S171-L175 WeakPolarHBondContact O-CG 3.47Å; S171-L175 PolarHBondContact O-N 3.31Å; S171-L175 VanDerWaalsContact O-N 3.16Å; G173-L175 VanDerWaalsContact C-N 3.3Å; G173-L175 PolarHBondContact O-N 3.03Å; L175-L178 PolarHBondContact O-N 2.79Å; L175-F179 WeakPolarHBondContact O-CB 3.46Å; L175-F179 PolarHBondContact O-N 2.99Å; L175-V358 HydrophobicContact CB-CG1 4.34Å; L175-V358 HydrophobicContact CD2-CG1 4.03Å; L175-V358 HydrophobicContact CD2-CG2 3.86Å; L175-Y370 WeakPolarHBondContact CD1-O 3.45Å; L175-L372 HydrophobicContact CD2-CD2 4Å; L175-L372 HydrophobicContact CD2-CG 4.43Å
176	E	98.7	Very high	98.5	Very high	24 Å²	24	6.8 Å²	6.8	11%	0.112	3%	0.03	C	C	.	.	H	α-helix	trans	-61.4	-43.4	174.3	-173.5	-178.9	143.6	0	0	111.3	Q172 G173 F179 N180 Y370 Y547 L551 K554	Q172-E176 VanDerWaalsContact O-CB 3.22Å; Q172-E176 WeakPolarHBondContact O-CB 3.25Å; Q172-E176 PolarHBondContact O-N 3.18Å; G173-E176 PolarHBondContact O-N 2.86Å; E176-F179 WeakPolarHBondContact O-CB 3.48Å; E176-F179 PolarHBondContact O-N 3.46Å; E176-N180 VanDerWaalsContact O-CG 3.24Å; E176-N180 PolarHBondContact O-N 2.75Å; E176-N180 PolarHBondContact O-ND2 2.87Å; E176-Y370 HydrophobicContact CB-CD2 3.95Å; E176-Y370 HydrophobicContact CB-CE2 3.65Å; E176-Y370 HydrophobicContact CG-CE2 3.72Å; E176-Y547 WeakPolarHBondContact OE1-CE2 3.26Å; E176-Y547 PolarHBondContact OE1-OH 3.29Å; E176-L551 HydrophobicContact CB-CD2 4.27Å; E176-L551 VanDerWaalsContact CD-CD2 3.43Å; E176-L551 HydrophobicContact CG-CD2 4.27Å; E176-L551 VanDerWaalsContact OE2-CD2 3.31Å; E176-L551 WeakPolarHBondContact OE2-CD2 3.31Å; E176-K554 IonicContact OE2-NZ 3.59Å; E176-K554 PolarHBondContact OE2-NZ 2.79Å
177	S	98.7	Very high	98.5	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-65.5	-40.1	178	-167.9	0	0	0	0	113	G173 R174 F179 N180 Y181 N399	G173-S177 PolarHBondContact O-N 3.11Å; R174-S177 PolarHBondContact O-N 2.95Å; S177-F179 VanDerWaalsContact C-N 3.33Å; S177-F179 PolarHBondContact O-N 3.21Å; S177-N180 WeakPolarHBondContact O-CB 3.07Å; S177-N180 PolarHBondContact O-N 2.89Å; S177-Y181 PolarHBondContact O-N 3.28Å; S177-N399 VanDerWaalsContact CB-OD1 3.27Å; S177-N399 WeakPolarHBondContact CB-OD1 3.39Å; S177-N399 PolarHBondContact OG-OD1 3.38Å
178	L	98.8	Very high	98.6	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-67.7	-32.2	172.8	-71.8	173.7	0	0	0	112.4	R174 L175 Y181 Q182 A196 V358 A395 A398 N399	R174-L178 WeakPolarHBondContact O-CB 3.21Å; R174-L178 VanDerWaalsContact O-CG 3.27Å; R174-L178 WeakPolarHBondContact O-CG 3.48Å; R174-L178 PolarHBondContact O-N 3.12Å; L175-L178 PolarHBondContact O-N 2.79Å; L178-Y181 WeakPolarHBondContact O-CB 3.46Å; L178-Y181 PolarHBondContact O-N 3.32Å; L178-Q182 WeakPolarHBondContact O-CG 3.42Å; L178-Q182 PolarHBondContact O-N 2.86Å; L178-A196 HydrophobicContact CB-CB 4.42Å; L178-A196 HydrophobicContact CD1-CB 4.37Å; L178-A196 HydrophobicContact CD2-CB 4.34Å; L178-V358 HydrophobicContact CB-CG2 3.71Å; L178-V358 HydrophobicContact CD1-CG2 4.35Å; L178-A395 HydrophobicContact CD1-CB 4.47Å; L178-A395 HydrophobicContact CD2-CB 4.34Å; L178-A398 HydrophobicContact CD2-CB 3.77Å; L178-N399 WeakPolarHBondContact CD2-OD1 3.26Å; L178-N399 WeakPolarHBondContact CG-OD1 3.09Å; L178-N399 PolarHBondContact N-OD1 2.65Å
179	F	98.4	Very high	98.6	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-67.8	-37.4	171.9	-168	-95.6	0	0	0	111.5	L175 E176 S177 Q182 T183 V358 Y370 I1025 T1027 C1028	L175-F179 WeakPolarHBondContact O-CB 3.46Å; L175-F179 PolarHBondContact O-N 2.99Å; E176-F179 WeakPolarHBondContact O-CB 3.48Å; E176-F179 PolarHBondContact O-N 3.46Å; S177-F179 VanDerWaalsContact C-N 3.33Å; S177-F179 PolarHBondContact O-N 3.21Å; F179-Q182 PolarHBondContact O-N 3.26Å; F179-T183 WeakPolarHBondContact O-CB 3.23Å; F179-T183 PolarHBondContact O-N 3.34Å; F179-T183 PolarHBondContact O-OG1 3.29Å; F179-V358 HydrophobicContact CB-CB 4.43Å; F179-V358 HydrophobicContact CB-CG1 4.07Å; F179-V358 HydrophobicContact CD2-CB 4.34Å; F179-V358 HydrophobicContact CD2-CG1 4.01Å; F179-Y370 HydrophobicContact CB-CD1 4.29Å; F179-Y370 HydrophobicContact CB-CE1 4.26Å; F179-Y370 HydrophobicContact CD1-CD1 4.46Å; F179-Y370 AromaticContact CD1-CE1 3.78Å; F179-Y370 HydrophobicContact CD1-CE1 3.78Å; F179-Y370 HydrophobicContact CD2-CD1 4.06Å; F179-Y370 HydrophobicContact CD2-CE1 4.16Å; F179-Y370 HydrophobicContact CE1-CE1 4.04Å; F179-Y370 HydrophobicContact CE2-CD1 4.44Å; F179-Y370 HydrophobicContact CE2-CE1 4.38Å; F179-Y370 HydrophobicContact CG-CD1 4.04Å; F179-Y370 AromaticContact CG-CE1 3.83Å; F179-Y370 HydrophobicContact CG-CE1 3.83Å; F179-Y370 HydrophobicContact CZ-CE1 4.34Å; F179-I1025 HydrophobicContact CZ-CG2 4.19Å; F179-T1027 VanDerWaalsContact CZ-N 3.32Å; F179-T1027 WeakPolarHBondContact CZ-O 3.4Å; F179-C1028 WeakPolarHBondContact CD1-SG 3.42Å; F179-C1028 HydrophobicContact CE1-CB 4.17Å; F179-C1028 VanDerWaalsContact CE1-N 3.35Å; F179-C1028 WeakPolarHBondContact CE1-SG 3.46Å
180	N	98.6	Very high	98.5	Very high	3 Å²	3	5.2 Å²	5.2	2%	0.016	3%	0.034	C	C	.	.	H	α-helix	trans	-62.3	-43	169.3	-62.9	-27.5	0	0	0	111.1	E176 S177 Q182 T183 M184 A402 F535 Y547	E176-N180 VanDerWaalsContact O-CG 3.24Å; E176-N180 PolarHBondContact O-N 2.75Å; E176-N180 PolarHBondContact O-ND2 2.87Å; S177-N180 WeakPolarHBondContact O-CB 3.07Å; S177-N180 PolarHBondContact O-N 2.89Å; N180-Q182 PolarHBondContact O-N 3.28Å; N180-T183 PolarHBondContact O-N 3.49Å; N180-M184 WeakPolarHBondContact O-CB 3.26Å; N180-M184 PolarHBondContact O-N 3.25Å; N180-A402 HydrophobicContact CB-CB 4.19Å; N180-F535 HydrophobicContact CB-CZ 4.3Å; N180-F535 WeakPolarHBondContact O-CZ 3.15Å; N180-Y547 PolarHBondContact ND2-OH 3.31Å
181	Y	98.9	Very high	98.5	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-56.6	-50.8	174.2	-179.7	-97.8	0	0	0	111.3	S177 L178 T183 M184 I185 A340 A341 F342 A398 A401	S177-Y181 PolarHBondContact O-N 3.28Å; L178-Y181 WeakPolarHBondContact O-CB 3.46Å; L178-Y181 PolarHBondContact O-N 3.32Å; Y181-T183 VanDerWaalsContact C-N 3.32Å; Y181-T183 PolarHBondContact O-N 2.88Å; Y181-M184 HydrophobicContact CD2-CE 3.48Å; Y181-M184 VanDerWaalsContact CD2-CE 3.48Å; Y181-M184 HydrophobicContact CE2-CE 3.73Å; Y181-M184 HydrophobicContact CG-CE 4.22Å; Y181-M184 WeakPolarHBondContact O-CB 3.21Å; Y181-M184 PolarHBondContact O-N 3.28Å; Y181-I185 HydrophobicContact CD1-CG1 4.18Å; Y181-I185 HydrophobicContact CE1-CG1 3.87Å; Y181-I185 HydrophobicContact CE2-CD1 4.34Å; Y181-I185 HydrophobicContact CE2-CG1 4.37Å; Y181-I185 WeakPolarHBondContact O-CG1 3.46Å; Y181-I185 PolarHBondContact O-N 3.07Å; Y181-A340 HydrophobicContact CE2-CB 4.39Å; Y181-A341 PolarHBondContact OH-O 3.06Å; Y181-F342 HydrophobicContact CE1-CB 4.49Å; Y181-A398 HydrophobicContact CD1-CB 4.08Å; Y181-A398 HydrophobicContact CD2-CB 3.79Å; Y181-A398 WeakPolarHBondContact CD2-O 3.36Å; Y181-A398 HydrophobicContact CE1-CB 4.19Å; Y181-A398 HydrophobicContact CE2-CB 3.89Å; Y181-A398 HydrophobicContact CG-CB 3.87Å; Y181-A401 HydrophobicContact CD2-CB 4.26Å; Y181-A401 HydrophobicContact CE2-CB 4.11Å
182	Q	98.8	Very high	98.4	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.4	-42	177.8	-76.5	172.4	-148.5	0	0	112.9	L178 F179 N180 I185 S186 A194 N195 V358 C1026	L178-Q182 WeakPolarHBondContact O-CG 3.42Å; L178-Q182 PolarHBondContact O-N 2.86Å; F179-Q182 PolarHBondContact O-N 3.26Å; N180-Q182 PolarHBondContact O-N 3.28Å; Q182-I185 PolarHBondContact O-N 2.69Å; Q182-S186 WeakPolarHBondContact O-CB 3.36Å; Q182-S186 PolarHBondContact O-N 3.12Å; Q182-S186 PolarHBondContact O-OG 3.39Å; Q182-A194 HydrophobicContact CB-CB 4.42Å; Q182-A194 HydrophobicContact CG-CB 4.46Å; Q182-A194 WeakPolarHBondContact CG-O 3.5Å; Q182-N195 WeakPolarHBondContact CG-O 3.38Å; Q182-V358 PolarHBondContact NE2-O 3.41Å; Q182-C1026 PolarHBondContact NE2-O 2.74Å; Q182-C1026 VanDerWaalsContact NE2-O 3.08Å
183	T	98.4	Very high	98.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.9	-45.7	177.2	-55.2	0	0	0	0	110.7	F179 N180 Y181 I185 S186 D187 F535 T1027 C1028	F179-T183 WeakPolarHBondContact O-CB 3.23Å; F179-T183 PolarHBondContact O-N 3.34Å; F179-T183 PolarHBondContact O-OG1 3.29Å; N180-T183 PolarHBondContact O-N 3.49Å; Y181-T183 VanDerWaalsContact C-N 3.32Å; Y181-T183 PolarHBondContact O-N 2.88Å; T183-I185 PolarHBondContact O-N 3.33Å; T183-S186 PolarHBondContact O-N 2.78Å; T183-D187 WeakPolarHBondContact O-CB 3.32Å; T183-D187 PolarHBondContact O-N 2.97Å; T183-F535 HydrophobicContact CG2-CE2 3.97Å; T183-F535 HydrophobicContact CG2-CZ 4.5Å; T183-T1027 WeakPolarHBondContact OG1-CA 3.14Å; T183-C1028 HydrophobicContact CG2-CB 3.89Å; T183-C1028 PolarHBondContact OG1-N 3.03Å; T183-C1028 PolarHBondContact OG1-SG 3.3Å
184	M	98.6	Very high	98.2	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.8	-45.8	176.5	171.7	-154.8	65.9	0	0	111.9	N180 Y181 L188 L305 F329 A405 L530 F535	N180-M184 WeakPolarHBondContact O-CB 3.26Å; N180-M184 PolarHBondContact O-N 3.25Å; Y181-M184 HydrophobicContact CD2-CE 3.48Å; Y181-M184 VanDerWaalsContact CD2-CE 3.48Å; Y181-M184 HydrophobicContact CE2-CE 3.73Å; Y181-M184 HydrophobicContact CG-CE 4.22Å; Y181-M184 WeakPolarHBondContact O-CB 3.21Å; Y181-M184 PolarHBondContact O-N 3.28Å; M184-L188 HydrophobicContact CG-CD1 3.94Å; M184-L188 WeakPolarHBondContact O-CB 3.02Å; M184-L188 WeakPolarHBondContact O-CG 3.44Å; M184-L188 PolarHBondContact O-N 3.35Å; M184-L305 HydrophobicContact CE-CD1 4.35Å; M184-F329 HydrophobicContact CE-CD2 4.45Å; M184-F329 HydrophobicContact CG-CE2 4.35Å; M184-F329 HydrophobicContact SD-CD2 3.64Å; M184-F329 HydrophobicContact SD-CE2 3.7Å; M184-A405 HydrophobicContact CG-CB 3.87Å; M184-A405 HydrophobicContact SD-CB 3.46Å; M184-A405 WeakPolarHBondContact SD-CB 3.34Å; M184-L530 HydrophobicContact CB-CD2 3.8Å; M184-L530 HydrophobicContact CG-CD2 3.91Å; M184-F535 HydrophobicContact CB-CE1 4.15Å; M184-F535 HydrophobicContact CB-CZ 4.01Å
185	I	98.7	Very high	98.2	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.2	-46.5	176.8	-62.8	-59.4	0	0	0	110.9	Y181 Q182 T183 L188 T189 A194 L305 F342	Y181-I185 HydrophobicContact CD1-CG1 4.18Å; Y181-I185 HydrophobicContact CE1-CG1 3.87Å; Y181-I185 HydrophobicContact CE2-CD1 4.34Å; Y181-I185 HydrophobicContact CE2-CG1 4.37Å; Y181-I185 WeakPolarHBondContact O-CG1 3.46Å; Y181-I185 PolarHBondContact O-N 3.07Å; Q182-I185 PolarHBondContact O-N 2.69Å; T183-I185 PolarHBondContact O-N 3.33Å; I185-L188 PolarHBondContact O-N 3.47Å; I185-T189 HydrophobicContact CG2-CG2 4.11Å; I185-T189 VanDerWaalsContact O-CB 3.32Å; I185-T189 WeakPolarHBondContact O-CB 3.15Å; I185-T189 VanDerWaalsContact O-CG2 3.3Å; I185-T189 WeakPolarHBondContact O-CG2 3.33Å; I185-T189 PolarHBondContact O-N 2.76Å; I185-T189 PolarHBondContact O-OG1 3.44Å; I185-A194 HydrophobicContact CB-CB 3.74Å; I185-A194 HydrophobicContact CG2-CB 3.57Å; I185-L305 HydrophobicContact CD1-CD1 3.45Å; I185-L305 VanDerWaalsContact CD1-CD1 3.45Å; I185-L305 HydrophobicContact CD1-CD2 3.75Å; I185-L305 HydrophobicContact CD1-CG 4.23Å; I185-F342 HydrophobicContact CD1-CB 3.61Å; I185-F342 HydrophobicContact CD1-CD1 3.82Å; I185-F342 HydrophobicContact CD1-CD2 4.28Å; I185-F342 HydrophobicContact CD1-CG 3.65Å; I185-F342 HydrophobicContact CG1-CB 3.86Å; I185-F342 HydrophobicContact CG1-CG 4.34Å; I185-F342 HydrophobicContact CG2-CB 3.94Å; I185-F342 HydrophobicContact CG2-CD2 3.75Å; I185-F342 HydrophobicContact CG2-CG 4.04Å
186	S	98.4	Very high	98.2	Very high	6 Å²	6	7.8 Å²	7.8	4%	0.042	5%	0.051	C	C	.	.	H	α-helix	trans	-61.3	-47.9	-179	-56.2	0	0	0	0	110.9	Q182 T183 L188 T189 G190 L191 A194 T1027	Q182-S186 WeakPolarHBondContact O-CB 3.36Å; Q182-S186 PolarHBondContact O-N 3.12Å; Q182-S186 PolarHBondContact O-OG 3.39Å; T183-S186 PolarHBondContact O-N 2.78Å; S186-L188 PolarHBondContact O-N 3.46Å; S186-T189 PolarHBondContact O-N 2.72Å; S186-T189 PolarHBondContact O-OG1 2.8Å; S186-G190 CarbonylContact O-C 3.54Å; S186-G190 VanDerWaalsContact O-CA 3.3Å; S186-G190 WeakPolarHBondContact O-CA 3.37Å; S186-G190 PolarHBondContact O-N 3.24Å; S186-L191 WeakPolarHBondContact CA-O 3.48Å; S186-L191 VanDerWaalsContact CB-O 3.25Å; S186-L191 WeakPolarHBondContact CB-O 3.42Å; S186-L191 PolarHBondContact O-N 3.48Å; S186-A194 PolarHBondContact OG-N 2.71Å; S186-T1027 WeakPolarHBondContact OG-CG2 3.46Å
187	D	98	Very high	98.2	Very high	26 Å²	26	6.7 Å²	6.7	14%	0.139	5%	0.046	C	C	.	.	H	α-helix	trans	-60.8	-47.3	176.5	-79.6	8.8	0	0	0	112	T183 G190 R525 L530 S1029	T183-D187 WeakPolarHBondContact O-CB 3.32Å; T183-D187 PolarHBondContact O-N 2.97Å; D187-G190 PolarHBondContact O-N 2.94Å; D187-R525 PolarHBondContact O-NH2 2.87Å; D187-L530 HydrophobicContact CB-CD2 4.43Å; D187-L530 VanDerWaalsContact OD2-CA 3.29Å; D187-L530 WeakPolarHBondContact OD2-CA 3.49Å; D187-L530 PolarHBondContact OD2-N 2.86Å; D187-S1029 PolarHBondContact OD1-OG 3.4Å
188	L	98.5	Very high	98.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-68.9	-40.4	-177.7	-73.7	171.6	0	0	0	112.2	M184 I185 S186 L305 L308 T309 F329 R525 Y529	M184-L188 HydrophobicContact CG-CD1 3.94Å; M184-L188 WeakPolarHBondContact O-CB 3.02Å; M184-L188 WeakPolarHBondContact O-CG 3.44Å; M184-L188 PolarHBondContact O-N 3.35Å; I185-L188 PolarHBondContact O-N 3.47Å; S186-L188 PolarHBondContact O-N 3.46Å; L188-L305 HydrophobicContact CB-CD2 4.27Å; L188-L305 HydrophobicContact CD1-CB 4.13Å; L188-L305 HydrophobicContact CD1-CD2 4.16Å; L188-L308 WeakPolarHBondContact O-CD1 3.14Å; L188-T309 HydrophobicContact CD2-CG2 4.11Å; L188-F329 HydrophobicContact CD1-CE2 3.7Å; L188-F329 HydrophobicContact CD1-CZ 3.79Å; L188-R525 PolarHBondContact O-NH1 2.94Å; L188-Y529 HydrophobicContact CD2-CD2 3.66Å; L188-Y529 HydrophobicContact CD2-CE2 4.11Å; L188-Y529 HydrophobicContact CD2-CG 4.08Å
189	T	98.6	Very high	98.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-80.3	-17.4	179.5	60.7	0	0	0	0	113.6	I185 S186 L191 L308 S313 P314 D315 A322 F342 S344	I185-T189 HydrophobicContact CG2-CG2 4.11Å; I185-T189 VanDerWaalsContact O-CB 3.32Å; I185-T189 WeakPolarHBondContact O-CB 3.15Å; I185-T189 VanDerWaalsContact O-CG2 3.3Å; I185-T189 WeakPolarHBondContact O-CG2 3.33Å; I185-T189 PolarHBondContact O-N 2.76Å; I185-T189 PolarHBondContact O-OG1 3.44Å; S186-T189 PolarHBondContact O-N 2.72Å; S186-T189 PolarHBondContact O-OG1 2.8Å; T189-L191 PolarHBondContact O-N 3.33Å; T189-L191 PolarHBondContact OG1-N 3.47Å; T189-L308 HydrophobicContact CG2-CD1 4.29Å; T189-S313 WeakPolarHBondContact O-CB 3.26Å; T189-P314 WeakPolarHBondContact O-CD 3.42Å; T189-D315 PolarHBondContact O-N 3.27Å; T189-D315 VanDerWaalsContact O-N 3.08Å; T189-A322 HydrophobicContact CG2-CB 3.73Å; T189-F342 HydrophobicContact CG2-CD2 4.43Å; T189-F342 HydrophobicContact CG2-CE2 3.94Å; T189-S344 PolarHBondContact OG1-OG 3.17Å
190	G	97.6	Very high	98.2	Very high	30 Å²	30	7.8 Å²	7.8	31%	0.309	5%	0.052	S	C	.	.			trans	72.2	-0.3	-172.2	0	0	0	0	0	114.2	S186 D187 D315	S186-G190 CarbonylContact O-C 3.54Å; S186-G190 VanDerWaalsContact O-CA 3.3Å; S186-G190 WeakPolarHBondContact O-CA 3.37Å; S186-G190 PolarHBondContact O-N 3.24Å; D187-G190 PolarHBondContact O-N 2.94Å; G190-D315 VanDerWaalsContact O-CB 3.26Å; G190-D315 WeakPolarHBondContact O-CB 3.14Å; G190-D315 VanDerWaalsContact O-CG 3.23Å
191	L	97.7	Very high	98.2	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.021	5%	0.054	C	C	.	.			trans	-89	152.8	-176.6	-69.7	172	0	0	0	111.5	S186 T189 R193 D315 A319 A322 S344 T346	S186-L191 WeakPolarHBondContact CA-O 3.48Å; S186-L191 VanDerWaalsContact CB-O 3.25Å; S186-L191 WeakPolarHBondContact CB-O 3.42Å; S186-L191 PolarHBondContact O-N 3.48Å; T189-L191 PolarHBondContact O-N 3.33Å; T189-L191 PolarHBondContact OG1-N 3.47Å; L191-R193 PolarHBondContact O-N 3.23Å; L191-D315 HydrophobicContact CD2-CB 3.9Å; L191-D315 HydrophobicContact CG-CB 4.14Å; L191-A319 WeakPolarHBondContact CD2-O 3.17Å; L191-A322 HydrophobicContact CD1-CB 3.58Å; L191-S344 VanDerWaalsContact CB-OG 3.29Å; L191-S344 WeakPolarHBondContact CB-OG 3.32Å; L191-S344 WeakPolarHBondContact CD1-O 3.32Å; L191-T346 HydrophobicContact CD2-CG2 3.93Å
192	A	96	Very high	98.2	Very high	36 Å²	36	8.4 Å²	8.4	30%	0.298	5%	0.054	S	C	.	.	S	Bend	trans	-69.6	-33.9	-166.7	0	0	0	0	0	115.1	S345 E347	A192-S345 PolarHBondContact N-O 2.7Å; A192-S345 VanDerWaalsContact N-O 3.17Å; A192-E347 HydrophobicContact CB-CB 4.17Å
193	R	95.5	Very high	98.2	Very high	34 Å²	34	8.7 Å²	8.7	13%	0.128	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	124.1	-170.8	-64.3	-66.4	-177.5	-94.3	2.3	112	L191 S344 S345 T350 L353 L1024	L191-R193 PolarHBondContact O-N 3.23Å; R193-S344 CarbonylContact O-C 3.53Å; R193-S344 VanDerWaalsContact O-CA 3.24Å; R193-S344 WeakPolarHBondContact O-CA 3.48Å; R193-S344 PolarHBondContact O-OG 3.2Å; R193-S345 PolarHBondContact N-O 3.24Å; R193-S345 VanDerWaalsContact N-O 3.13Å; R193-S345 PolarHBondContact O-N 3.45Å; R193-T350 HydrophobicContact CB-CG2 4.33Å; R193-T350 HydrophobicContact CG-CG2 4.08Å; R193-T350 WeakPolarHBondContact CG-OG1 3.4Å; R193-L353 HydrophobicContact CB-CD1 4.21Å; R193-L1024 PolarHBondContact NH2-O 2.96Å
194	A	98.3	Very high	98.2	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.008	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	157.8	171.2	0	0	0	0	0	112.3	Q182 I185 S186 I343	Q182-A194 HydrophobicContact CB-CB 4.42Å; Q182-A194 HydrophobicContact CG-CB 4.46Å; Q182-A194 WeakPolarHBondContact CG-O 3.5Å; I185-A194 HydrophobicContact CB-CB 3.74Å; I185-A194 HydrophobicContact CG2-CB 3.57Å; S186-A194 PolarHBondContact OG-N 2.71Å; A194-I343 VanDerWaalsContact CA-O 3.31Å; A194-I343 WeakPolarHBondContact CA-O 3.29Å
195	N	98.2	Very high	98.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.056	C	C	.	.			trans	-90	173.4	173.2	87.8	-19.3	0	0	0	112.9	Q182 S197 L198 I343 P354 R356 I357	Q182-N195 WeakPolarHBondContact CG-O 3.38Å; N195-S197 PolarHBondContact ND2-O 3.38Å; N195-S197 PolarHBondContact O-N 3.34Å; N195-S197 PolarHBondContact OD1-N 3.16Å; N195-S197 VanDerWaalsContact OD1-N 3.15Å; N195-L198 WeakPolarHBondContact ND2-CD2 3.43Å; N195-L198 WeakPolarHBondContact ND2-CG 3.48Å; N195-I343 HydrophobicContact CB-CG2 4.03Å; N195-I343 VanDerWaalsContact CG-CG2 3.43Å; N195-I343 PolarHBondContact N-O 3.13Å; N195-I343 VanDerWaalsContact N-O 3.1Å; N195-I343 WeakPolarHBondContact ND2-CG2 3.18Å; N195-P354 PolarHBondContact ND2-O 3.39Å; N195-R356 WeakPolarHBondContact CB-O 3.39Å; N195-I357 HydrophobicContact CB-CG1 4.24Å
196	A	98.5	Very high	98.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-89.3	42.9	179.2	0	0	0	0	0	112.6	L178 R356 V358	L178-A196 HydrophobicContact CB-CB 4.42Å; L178-A196 HydrophobicContact CD1-CB 4.37Å; L178-A196 HydrophobicContact CD2-CB 4.34Å; A196-R356 HydrophobicContact CB-CB 4.18Å; A196-R356 WeakPolarHBondContact CB-O 3.08Å; A196-R356 PolarHBondContact N-O 3.46Å; A196-V358 HydrophobicContact CB-CG2 4.36Å
197	S	98.6	Very high	98.2	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.007	6%	0.057	C	C	.	.			trans	87	154.6	-177.6	77	0	0	0	0	118.4	N195 A341 Q394	N195-S197 PolarHBondContact ND2-O 3.38Å; N195-S197 PolarHBondContact O-N 3.34Å; N195-S197 PolarHBondContact OD1-N 3.16Å; N195-S197 VanDerWaalsContact OD1-N 3.15Å; S197-A341 CarbonylContact C-O 3.59Å; S197-A341 VanDerWaalsContact CA-O 3.23Å; S197-A341 WeakPolarHBondContact CA-O 3.4Å; S197-Q394 PolarHBondContact OG-N 2.79Å
198	L	98.8	Very high	98.2	Very high	3 Å²	3	7.6 Å²	7.6	2%	0.016	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-122.8	-174.5	165.6	-63.5	-177.8	0	0	0	110.2	N195 A204 E207 A341 I343 P354 I390 Q394	N195-L198 WeakPolarHBondContact ND2-CD2 3.43Å; N195-L198 WeakPolarHBondContact ND2-CG 3.48Å; L198-A204 HydrophobicContact CB-CB 4.35Å; L198-A204 HydrophobicContact CD1-CB 3.66Å; L198-E207 HydrophobicContact CD1-CB 4.33Å; L198-E207 HydrophobicContact CD1-CG 4.38Å; L198-A341 HydrophobicContact CB-CB 4.08Å; L198-A341 PolarHBondContact N-O 3.25Å; L198-A341 PolarHBondContact O-N 3.37Å; L198-I343 HydrophobicContact CD1-CB 4.02Å; L198-I343 HydrophobicContact CD1-CG2 3.67Å; L198-I343 HydrophobicContact CG-CG2 4.13Å; L198-P354 HydrophobicContact CD1-CG 3.96Å; L198-P354 HydrophobicContact CD2-CB 4.21Å; L198-P354 HydrophobicContact CD2-CG 4.02Å; L198-I390 HydrophobicContact CB-CD1 4.5Å; L198-I390 HydrophobicContact CD2-CD1 3.63Å; L198-Q394 WeakPolarHBondContact O-CG 3.36Å
199	L	98.6	Very high	98.2	Very high	8 Å²	8	7.6 Å²	7.6	4%	0.042	5%	0.05	C	C	.	.	S	Bend	trans	-81.2	-46.8	-167.7	-62.6	174.4	0	0	0	115.2	I390 Q394 N626 S627 Q630	L199-I390 HydrophobicContact CD1-CD1 4.48Å; L199-I390 HydrophobicContact CD2-CD1 4.31Å; L199-I390 HydrophobicContact CG-CD1 3.89Å; L199-I390 HydrophobicContact CG-CG1 4.38Å; L199-Q394 PolarHBondContact O-NE2 3.49Å; L199-N626 WeakPolarHBondContact CD1-OD1 3.42Å; L199-S627 WeakPolarHBondContact CD1-OG 3.43Å; L199-Q630 HydrophobicContact CD1-CG 3.37Å
200	D	98.7	Very high	98.2	Very high	11 Å²	11	8 Å²	8	6%	0.059	5%	0.052	C	C	.	.			trans	-161.9	172.8	175	62.6	44.8	0	0	0	110.4	G202 T203 A204 A341 N626 C821 S822	D200-G202 PolarHBondContact OD1-N 3Å; D200-T203 PolarHBondContact N-OG1 3.41Å; D200-T203 PolarHBondContact O-N 3.01Å; D200-T203 PolarHBondContact O-OG1 3.45Å; D200-T203 WeakPolarHBondContact OD1-CB 3.43Å; D200-T203 WeakPolarHBondContact OD1-CG2 3.13Å; D200-T203 PolarHBondContact OD1-N 3.35Å; D200-T203 PolarHBondContact OD1-OG1 2.9Å; D200-A204 WeakPolarHBondContact O-CB 3.3Å; D200-A204 PolarHBondContact O-N 3.26Å; D200-A341 VanDerWaalsContact O-CB 3.26Å; D200-A341 WeakPolarHBondContact O-CB 3.43Å; D200-N626 PolarHBondContact OD2-ND2 3.09Å; D200-C821 WeakPolarHBondContact OD2-CA 3.35Å; D200-C821 WeakPolarHBondContact OD2-CB 3.13Å; D200-S822 PolarHBondContact OD1-OG 2.65Å; D200-S822 PolarHBondContact OD2-N 3.5Å
201	E	98.8	Very high	98.3	Very high	16 Å²	16	6.6 Å²	6.6	8%	0.075	4%	0.038	C	C	.	.	H	α-helix	trans	-60.9	-48.8	-174.3	-179.9	176.9	139.9	0	0	113.1	T203 A204 S205 H228 T231	E201-T203 VanDerWaalsContact C-N 3.33Å; E201-T203 PolarHBondContact O-N 3.25Å; E201-A204 WeakPolarHBondContact O-CB 3.42Å; E201-A204 PolarHBondContact O-N 3.08Å; E201-A204 VanDerWaalsContact O-N 3.12Å; E201-S205 PolarHBondContact O-N 3.32Å; E201-S205 PolarHBondContact O-OG 2.91Å; E201-H228 IonicContact OE1-CD2 2.7Å; E201-H228 PolarHBondContact OE1-CD2 3.12Å; E201-T231 PolarHBondContact OE1-OG1 3.43Å
202	G	98.4	Very high	98.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-61.5	-39.7	-179.5	0	0	0	0	0	112.8	D200 S205 A206 V234 S822	D200-G202 PolarHBondContact OD1-N 3Å; G202-S205 PolarHBondContact O-N 2.98Å; G202-A206 WeakPolarHBondContact O-CB 3.4Å; G202-A206 PolarHBondContact O-N 3.13Å; G202-V234 WeakPolarHBondContact O-CG1 3.23Å; G202-S822 WeakPolarHBondContact CA-OG 3.49Å; G202-S822 PolarHBondContact N-OG 2.94Å
203	T	98.5	Very high	98.4	Very high	7 Å²	7	5.4 Å²	5.4	4%	0.043	3%	0.027	C	C	.	.	H	α-helix	trans	-68.4	-38	173.6	54.2	0	0	0	0	111.8	D200 E201 A206 E207 V234 I820	D200-T203 PolarHBondContact N-OG1 3.41Å; D200-T203 PolarHBondContact O-N 3.01Å; D200-T203 PolarHBondContact O-OG1 3.45Å; D200-T203 WeakPolarHBondContact OD1-CB 3.43Å; D200-T203 WeakPolarHBondContact OD1-CG2 3.13Å; D200-T203 PolarHBondContact OD1-N 3.35Å; D200-T203 PolarHBondContact OD1-OG1 2.9Å; E201-T203 VanDerWaalsContact C-N 3.33Å; E201-T203 PolarHBondContact O-N 3.25Å; T203-A206 PolarHBondContact O-N 3.36Å; T203-E207 WeakPolarHBondContact O-CG 3.43Å; T203-E207 PolarHBondContact O-N 3Å; T203-V234 HydrophobicContact CG2-CG1 4.24Å; T203-I820 WeakPolarHBondContact CG2-O 3.31Å
204	A	98.9	Very high	98.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-62.6	-42.5	173.1	0	0	0	0	0	112.5	L198 D200 E201 A206 E207 A208 V323 A341	L198-A204 HydrophobicContact CB-CB 4.35Å; L198-A204 HydrophobicContact CD1-CB 3.66Å; D200-A204 WeakPolarHBondContact O-CB 3.3Å; D200-A204 PolarHBondContact O-N 3.26Å; E201-A204 WeakPolarHBondContact O-CB 3.42Å; E201-A204 PolarHBondContact O-N 3.08Å; E201-A204 VanDerWaalsContact O-N 3.12Å; A204-A206 PolarHBondContact O-N 2.92Å; A204-E207 PolarHBondContact O-N 3.31Å; A204-A208 PolarHBondContact O-N 3.49Å; A204-V323 HydrophobicContact CB-CB 4.13Å; A204-V323 HydrophobicContact CB-CG1 4.26Å; A204-A341 HydrophobicContact CB-CB 4.05Å
205	S	98.8	Very high	98.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.2	-40.2	173.2	-64.3	0	0	0	0	112.7	E201 G202 E207 A208 M209 T231	E201-S205 PolarHBondContact O-N 3.32Å; E201-S205 PolarHBondContact O-OG 2.91Å; G202-S205 PolarHBondContact O-N 2.98Å; S205-E207 VanDerWaalsContact C-N 3.35Å; S205-A208 PolarHBondContact O-N 3.42Å; S205-M209 PolarHBondContact O-N 3.42Å; S205-T231 VanDerWaalsContact OG-CG2 3.31Å; S205-T231 WeakPolarHBondContact OG-CG2 3.5Å
206	A	98.6	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.7	-36.4	175.4	0	0	0	0	0	112.1	G202 T203 A204 M209 C210 V234 V235 R238	G202-A206 WeakPolarHBondContact O-CB 3.4Å; G202-A206 PolarHBondContact O-N 3.13Å; T203-A206 PolarHBondContact O-N 3.36Å; A204-A206 PolarHBondContact O-N 2.92Å; A206-M209 PolarHBondContact O-N 3.49Å; A206-C210 PolarHBondContact O-N 2.94Å; A206-C210 PolarHBondContact O-SG 2.87Å; A206-V234 HydrophobicContact CB-CG1 4.25Å; A206-V235 HydrophobicContact CB-CG2 4.35Å; A206-R238 HydrophobicContact CB-CB 3.97Å; A206-R238 HydrophobicContact CB-CG 4.13Å
207	E	98.7	Very high	98.3	Very high	9 Å²	9	20.8 Å²	20.8	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-67.2	-38.9	172.7	-71.5	-61.6	163	0	0	112.5	L198 T203 A204 S205 M209 C210 L211 R238 P354 S388	L198-E207 HydrophobicContact CD1-CB 4.33Å; L198-E207 HydrophobicContact CD1-CG 4.38Å; T203-E207 WeakPolarHBondContact O-CG 3.43Å; T203-E207 PolarHBondContact O-N 3Å; A204-E207 PolarHBondContact O-N 3.31Å; S205-E207 VanDerWaalsContact C-N 3.35Å; E207-M209 PolarHBondContact O-N 3Å; E207-C210 PolarHBondContact O-N 3.16Å; E207-L211 WeakPolarHBondContact O-CB 3.31Å; E207-L211 PolarHBondContact O-N 3.21Å; E207-R238 IonicContact OE1-NH1 3.01Å; E207-R238 PolarHBondContact OE1-NH1 2.92Å; E207-P354 HydrophobicContact CB-CB 4.32Å; E207-P354 HydrophobicContact CB-CG 3.93Å; E207-P354 HydrophobicContact CG-CB 4.22Å; E207-P354 HydrophobicContact CG-CG 4.28Å; E207-S388 VanDerWaalsContact CD-OG 3.29Å; E207-S388 WeakPolarHBondContact OE1-CB 3.32Å; E207-S388 PolarHBondContact OE1-OG 3.42Å
208	A	98.8	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.4	-41.1	174.8	0	0	0	0	0	112.1	A204 S205 L211 A212 I300 I321 V323 I343	A204-A208 PolarHBondContact O-N 3.49Å; S205-A208 PolarHBondContact O-N 3.42Å; A208-L211 PolarHBondContact O-N 2.69Å; A208-A212 PolarHBondContact O-N 2.68Å; A208-I300 HydrophobicContact CB-CD1 4.09Å; A208-I300 HydrophobicContact CB-CG2 3.73Å; A208-I321 HydrophobicContact CB-CG2 4.02Å; A208-V323 HydrophobicContact CB-CG1 3.93Å; A208-I343 HydrophobicContact CB-CD1 4.1Å
209	M	98.7	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.1	-47.7	170.5	175	-165.8	67.1	0	0	111.4	S205 A206 E207 L211 A212 V213 F221 V235 R238 A239 I244 I246	S205-M209 PolarHBondContact O-N 3.42Å; A206-M209 PolarHBondContact O-N 3.49Å; E207-M209 PolarHBondContact O-N 3Å; M209-L211 VanDerWaalsContact C-N 3.3Å; M209-L211 PolarHBondContact O-N 3.34Å; M209-A212 PolarHBondContact O-N 3.18Å; M209-V213 WeakPolarHBondContact O-CG2 3.34Å; M209-V213 PolarHBondContact O-N 3.04Å; M209-F221 HydrophobicContact CB-CD1 4.46Å; M209-F221 HydrophobicContact CB-CD2 4.23Å; M209-F221 HydrophobicContact CB-CE1 4.06Å; M209-F221 HydrophobicContact CB-CE2 3.82Å; M209-F221 HydrophobicContact CB-CZ 3.71Å; M209-F221 HydrophobicContact CG-CB 4.37Å; M209-F221 HydrophobicContact CG-CD1 3.93Å; M209-F221 HydrophobicContact CG-CD2 3.69Å; M209-F221 HydrophobicContact CG-CE1 4.04Å; M209-F221 HydrophobicContact CG-CE2 3.81Å; M209-F221 HydrophobicContact CG-CG 3.74Å; M209-F221 HydrophobicContact CG-CZ 3.97Å; M209-F221 HydrophobicContact SD-CD1 4.32Å; M209-F221 HydrophobicContact SD-CG 4.42Å; M209-V235 HydrophobicContact SD-CG1 3.85Å; M209-R238 HydrophobicContact CE-CB 4.2Å; M209-R238 HydrophobicContact CE-CG 4.13Å; M209-A239 HydrophobicContact CE-CB 3.89Å; M209-A239 HydrophobicContact SD-CB 3.66Å; M209-I244 HydrophobicContact CE-CD1 3.91Å; M209-I244 HydrophobicContact SD-CD1 4.22Å; M209-I244 HydrophobicContact SD-CG2 4.23Å; M209-I246 HydrophobicContact SD-CD1 3.78Å
210	C	98.1	Very high	98.1	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.054	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-37.8	179.4	-65.6	0	0	0	0	111.9	A206 E207 V213 R214	A206-C210 PolarHBondContact O-N 2.94Å; A206-C210 PolarHBondContact O-SG 2.87Å; E207-C210 PolarHBondContact O-N 3.16Å; C210-V213 PolarHBondContact O-N 2.74Å; C210-R214 WeakPolarHBondContact O-CG 3.45Å; C210-R214 PolarHBondContact O-N 3.39Å
211	L	98.4	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.9	-49.4	173.9	-169.8	167.6	0	0	0	110.8	E207 A208 M209 V213 R214 Y215 L298 I321 L349 L352 L353	E207-L211 WeakPolarHBondContact O-CB 3.31Å; E207-L211 PolarHBondContact O-N 3.21Å; A208-L211 PolarHBondContact O-N 2.69Å; M209-L211 VanDerWaalsContact C-N 3.3Å; M209-L211 PolarHBondContact O-N 3.34Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 2.8Å; L211-R214 PolarHBondContact O-N 2.99Å; L211-R214 VanDerWaalsContact O-N 3.16Å; L211-Y215 WeakPolarHBondContact O-CB 3.18Å; L211-Y215 PolarHBondContact O-N 3.04Å; L211-L298 HydrophobicContact CD2-CD1 4.3Å; L211-I321 HydrophobicContact CB-CD1 4.5Å; L211-I321 HydrophobicContact CD1-CD1 4.14Å; L211-I321 HydrophobicContact CD2-CD1 3.78Å; L211-I321 HydrophobicContact CG-CD1 4.35Å; L211-L349 HydrophobicContact CD2-CB 4.3Å; L211-L349 HydrophobicContact CD2-CD1 4.22Å; L211-L349 HydrophobicContact CD2-CD2 3.97Å; L211-L349 HydrophobicContact CD2-CG 4.39Å; L211-L352 HydrophobicContact CD1-CB 4.35Å; L211-L352 HydrophobicContact CD2-CB 4.25Å; L211-L352 HydrophobicContact CD2-CD1 4.5Å; L211-L352 HydrophobicContact CG-CB 3.88Å; L211-L353 HydrophobicContact CD1-CD2 4.15Å
212	A	98.6	Very high	98.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-40.8	178.5	0	0	0	0	0	112.8	A208 M209 Y215 T216 F221 L298 I300	A208-A212 PolarHBondContact O-N 2.68Å; M209-A212 PolarHBondContact O-N 3.18Å; A212-Y215 PolarHBondContact O-N 2.86Å; A212-T216 WeakPolarHBondContact O-CB 3.29Å; A212-T216 WeakPolarHBondContact O-CG2 3.47Å; A212-T216 PolarHBondContact O-N 3.47Å; A212-T216 PolarHBondContact O-OG1 2.76Å; A212-F221 HydrophobicContact CB-CE2 4.19Å; A212-L298 HydrophobicContact CB-CB 4.25Å; A212-L298 HydrophobicContact CB-CD1 3.93Å; A212-L298 HydrophobicContact CB-CG 4.37Å; A212-I300 HydrophobicContact CB-CD1 4.23Å
213	V	98	Very high	98.1	Very high	15 Å²	15	30.3 Å²	30.3	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-43	174.8	171.6	0	0	0	0	111.3	M209 C210 L211 Y215 N217 K219 I244 S267	M209-V213 WeakPolarHBondContact O-CG2 3.34Å; M209-V213 PolarHBondContact O-N 3.04Å; C210-V213 PolarHBondContact O-N 2.74Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 2.8Å; V213-Y215 VanDerWaalsContact C-N 3.34Å; V213-Y215 PolarHBondContact O-N 2.85Å; V213-N217 WeakPolarHBondContact O-CA 3.4Å; V213-N217 PolarHBondContact O-N 3.36Å; V213-K219 HydrophobicContact CG1-CD 4.1Å; V213-I244 HydrophobicContact CG1-CD1 4.47Å; V213-I244 HydrophobicContact CG2-CD1 3.86Å; V213-I244 HydrophobicContact CG2-CG1 4.17Å; V213-I244 HydrophobicContact CG2-CG2 4.33Å; V213-S267 WeakPolarHBondContact CG2-OG 3.34Å
214	R	96.7	Very high	98.1	Very high	81 Å²	81	30 Å²	30	31%	0.306	13%	0.134	S	C	.	.	H	α-helix	trans	-64.1	-37.4	176	-75.3	-175.9	-63.3	-101.8	5.4	112.7	C210 L211 T387	C210-R214 WeakPolarHBondContact O-CG 3.45Å; C210-R214 PolarHBondContact O-N 3.39Å; L211-R214 PolarHBondContact O-N 2.99Å; L211-R214 VanDerWaalsContact O-N 3.16Å; R214-T387 PolarHBondContact NH1-O 2.92Å; R214-T387 PolarHBondContact NH2-O 3.4Å
215	Y	97.4	Very high	98	Very high	112 Å²	112	36.7 Å²	36.7	44%	0.439	16%	0.159	S	C	.	.	H	α-helix	trans	-73.1	-44.2	-178.9	-177	-103.7	0	0	0	112.3	L211 A212 V213 L298 L349 L352	L211-Y215 WeakPolarHBondContact O-CB 3.18Å; L211-Y215 PolarHBondContact O-N 3.04Å; A212-Y215 PolarHBondContact O-N 2.86Å; V213-Y215 VanDerWaalsContact C-N 3.34Å; V213-Y215 PolarHBondContact O-N 2.85Å; Y215-L298 HydrophobicContact CD1-CD1 4.01Å; Y215-L298 HydrophobicContact CD1-CD2 4Å; Y215-L298 HydrophobicContact CD1-CG 4.23Å; Y215-L298 HydrophobicContact CE1-CD2 4.08Å; Y215-L298 HydrophobicContact CG-CD1 4.38Å; Y215-L349 HydrophobicContact CD1-CD2 4.09Å; Y215-L349 HydrophobicContact CD2-CD2 3.46Å; Y215-L349 VanDerWaalsContact CD2-CD2 3.46Å; Y215-L349 HydrophobicContact CE1-CD2 4.33Å; Y215-L349 HydrophobicContact CE2-CD2 3.72Å; Y215-L349 HydrophobicContact CG-CD2 3.65Å; Y215-L352 HydrophobicContact CD2-CD1 3.97Å; Y215-L352 HydrophobicContact CG-CD1 4.45Å
216	T	97	Very high	97.9	Very high	27 Å²	27	37.4 Å²	37.4	17%	0.166	16%	0.162	C	C	.	.	H	α-helix	trans	-93.6	-16.8	-174	61.9	0	0	0	0	114.2	A212 R218 S267	A212-T216 WeakPolarHBondContact O-CB 3.29Å; A212-T216 WeakPolarHBondContact O-CG2 3.47Å; A212-T216 PolarHBondContact O-N 3.47Å; A212-T216 PolarHBondContact O-OG1 2.76Å; T216-R218 PolarHBondContact O-N 2.89Å; T216-R218 PolarHBondContact OG1-N 2.66Å; T216-S267 VanDerWaalsContact OG1-CA 3.29Å; T216-S267 WeakPolarHBondContact OG1-CA 3.48Å; T216-S267 WeakPolarHBondContact OG1-CB 3.39Å
217	N	96.3	Very high	97.9	Very high	139 Å²	139	37.5 Å²	37.5	74%	0.743	16%	0.162	S	C	*	.			trans	56.6	18.2	-168.4	-65.5	-50.8	0	0	0	114.8	V213	V213-N217 WeakPolarHBondContact O-CA 3.4Å; V213-N217 PolarHBondContact O-N 3.36Å
218	R	97.6	Very high	97.8	Very high	63 Å²	63	37.3 Å²	37.3	24%	0.238	16%	0.161	C	C	.	.			trans	-95.8	140.2	178.1	-63.1	169.1	-176.6	173.1	-3.4	110.9	T216 G264 F266 S267 N295 K296	T216-R218 PolarHBondContact O-N 2.89Å; T216-R218 PolarHBondContact OG1-N 2.66Å; R218-G264 PolarHBondContact NE-O 3.39Å; R218-G264 PolarHBondContact NH1-O 2.65Å; R218-G264 PolarHBondContact NH2-O 3.07Å; R218-F266 WeakPolarHBondContact CD-O 3.4Å; R218-F266 PolarHBondContact NH1-O 3.27Å; R218-S267 WeakPolarHBondContact O-CB 3.44Å; R218-N295 PolarHBondContact NH1-O 3.45Å; R218-N295 PolarHBondContact NH2-O 3Å; R218-K296 PolarHBondContact NH1-O 2.86Å
219	K	97	Very high	97.7	Very high	108 Å²	108	39.4 Å²	39.4	47%	0.47	18%	0.175	S	C	.	.			trans	-103.8	13.3	-174.9	-72.4	-69.9	-170.5	170.3	0	114.8	V213 L242 I244 E245	V213-K219 HydrophobicContact CG1-CD 4.1Å; K219-L242 PolarHBondContact NZ-O 2.86Å; K219-I244 HydrophobicContact CD-CG1 4.07Å; K219-I244 CarbonylContact O-C 3.31Å; K219-I244 WeakPolarHBondContact O-CA 3.3Å; K219-E245 PolarHBondContact O-N 3.23Å
220	R	98.3	Very high	97.6	Very high	67 Å²	67	39.6 Å²	39.6	25%	0.253	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.6	171.4	-48.8	-175.7	78.8	-156.3	-5.3	109.1	E245 F266 S267	R220-E245 CarbonylContact C-O 3.55Å; R220-E245 WeakPolarHBondContact CA-O 3.38Å; R220-E245 HydrophobicContact CG-CB 4.39Å; R220-E245 IonicContact CZ-OE1 2.72Å; R220-E245 IonicContact CZ-OE2 2.75Å; R220-E245 IonicContact NE-OE1 3.62Å; R220-E245 PolarHBondContact NE-OE1 3.31Å; R220-E245 IonicContact NE-OE2 2.76Å; R220-E245 PolarHBondContact NE-OE2 3.49Å; R220-E245 IonicContact NH2-OE1 2.8Å; R220-E245 PolarHBondContact NH2-OE1 3.19Å; R220-E245 IonicContact NH2-OE2 3.46Å; R220-F266 HydrophobicContact CB-CD1 3.61Å; R220-F266 HydrophobicContact CB-CE1 3.73Å; R220-F266 HydrophobicContact CB-CG 4.36Å; R220-F266 CarbonylContact O-C 3.19Å; R220-F266 WeakPolarHBondContact O-CA 3.44Å; R220-S267 PolarHBondContact O-N 2.76Å; R220-S267 PolarHBondContact O-OG 3.47Å
221	F	98.7	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.5	-177	-173.1	-91.6	0	0	0	110.7	M209 A212 I244 E245 I246 V247 S267 G268 L270 I300	M209-F221 HydrophobicContact CB-CD1 4.46Å; M209-F221 HydrophobicContact CB-CD2 4.23Å; M209-F221 HydrophobicContact CB-CE1 4.06Å; M209-F221 HydrophobicContact CB-CE2 3.82Å; M209-F221 HydrophobicContact CB-CZ 3.71Å; M209-F221 HydrophobicContact CG-CB 4.37Å; M209-F221 HydrophobicContact CG-CD1 3.93Å; M209-F221 HydrophobicContact CG-CD2 3.69Å; M209-F221 HydrophobicContact CG-CE1 4.04Å; M209-F221 HydrophobicContact CG-CE2 3.81Å; M209-F221 HydrophobicContact CG-CG 3.74Å; M209-F221 HydrophobicContact CG-CZ 3.97Å; M209-F221 HydrophobicContact SD-CD1 4.32Å; M209-F221 HydrophobicContact SD-CG 4.42Å; A212-F221 HydrophobicContact CB-CE2 4.19Å; F221-I244 HydrophobicContact CB-CG2 3.93Å; F221-E245 PolarHBondContact N-O 3.47Å; F221-I246 HydrophobicContact CB-CD1 3.94Å; F221-I246 HydrophobicContact CD1-CD1 3.92Å; F221-I246 HydrophobicContact CG-CD1 4.35Å; F221-I246 WeakPolarHBondContact O-CA 3.44Å; F221-V247 PolarHBondContact O-N 3.45Å; F221-S267 WeakPolarHBondContact CD2-OG 3.33Å; F221-G268 WeakPolarHBondContact CD2-O 3.41Å; F221-L270 HydrophobicContact CE1-CB 3.68Å; F221-L270 HydrophobicContact CZ-CB 3.75Å; F221-I300 HydrophobicContact CE2-CD1 3.63Å; F221-I300 HydrophobicContact CZ-CD1 3.61Å
222	L	98.6	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.4	178.5	-64.7	167	0	0	0	110.3	V247 I249 I260 I261 F266 G268 Y269 L270	L222-V247 WeakPolarHBondContact CA-O 3.34Å; L222-V247 HydrophobicContact CD2-CB 3.92Å; L222-V247 HydrophobicContact CD2-CG1 4.11Å; L222-I249 HydrophobicContact CB-CD1 4.33Å; L222-I249 HydrophobicContact CB-CG1 4.49Å; L222-I249 HydrophobicContact CD1-CD1 4.19Å; L222-I249 HydrophobicContact CD2-CD1 4.05Å; L222-I249 HydrophobicContact CD2-CG1 4.31Å; L222-I249 HydrophobicContact CD2-CG2 4.14Å; L222-I249 HydrophobicContact CG-CD1 4.42Å; L222-I260 HydrophobicContact CD1-CG2 4.1Å; L222-I260 HydrophobicContact CD2-CG2 3.59Å; L222-I260 HydrophobicContact CG-CG2 4.42Å; L222-I261 HydrophobicContact CD1-CD1 4.22Å; L222-I261 HydrophobicContact CD1-CG1 3.44Å; L222-I261 VanDerWaalsContact CD1-CG1 3.44Å; L222-F266 HydrophobicContact CD1-CB 4.28Å; L222-F266 HydrophobicContact CD1-CD1 4.23Å; L222-F266 HydrophobicContact CD1-CD2 4.25Å; L222-F266 HydrophobicContact CD1-CG 3.98Å; L222-F266 HydrophobicContact CD2-CD1 3.79Å; L222-F266 HydrophobicContact CD2-CE1 3.58Å; L222-F266 HydrophobicContact CD2-CE2 4.44Å; L222-F266 HydrophobicContact CD2-CG 4.29Å; L222-F266 HydrophobicContact CD2-CZ 3.94Å; L222-F266 HydrophobicContact CG-CB 4.29Å; L222-F266 HydrophobicContact CG-CD1 3.53Å; L222-F266 HydrophobicContact CG-CD2 4.39Å; L222-F266 HydrophobicContact CG-CE1 3.9Å; L222-F266 HydrophobicContact CG-CG 3.8Å; L222-F266 HydrophobicContact CG-CZ 4.48Å; L222-G268 PolarHBondContact N-O 3.37Å; L222-Y269 HydrophobicContact CB-CD2 3.48Å; L222-Y269 VanDerWaalsContact CB-CD2 3.48Å; L222-Y269 HydrophobicContact CB-CE2 4.28Å; L222-Y269 HydrophobicContact CB-CG 3.78Å; L222-Y269 HydrophobicContact CD1-CG 4.32Å; L222-Y269 WeakPolarHBondContact O-CA 3.36Å; L222-L270 PolarHBondContact O-N 2.78Å
223	L	98.4	Very high	97.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.3	177.8	179.9	60	0	0	0	109.9	I232 V235 T236 I246 V247 V248 I249 L270	L223-I232 HydrophobicContact CD2-CB 4.22Å; L223-I232 HydrophobicContact CD2-CG1 4.13Å; L223-I232 HydrophobicContact CD2-CG2 3.88Å; L223-I232 HydrophobicContact CG-CG1 4.41Å; L223-V235 HydrophobicContact CD2-CG1 4.29Å; L223-T236 HydrophobicContact CD2-CG2 4.03Å; L223-I246 HydrophobicContact CB-CG2 3.79Å; L223-I246 HydrophobicContact CD2-CG2 4.01Å; L223-V247 PolarHBondContact N-O 3.1Å; L223-V248 CarbonylContact O-C 3.35Å; L223-V248 VanDerWaalsContact O-CA 3.26Å; L223-V248 WeakPolarHBondContact O-CA 3.47Å; L223-I249 PolarHBondContact O-N 2.93Å; L223-L270 HydrophobicContact CD1-CB 4.01Å; L223-L270 HydrophobicContact CD1-CD2 3.66Å; L223-L270 HydrophobicContact CD1-CG 3.96Å
224	D	98.3	Very high	97.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	130.4	174.9	-157.2	-64.9	0	0	0	111.1	R226 C227 I249 I251 Y269 L270 L271	D224-R226 PolarHBondContact O-N 2.93Å; D224-R226 VanDerWaalsContact O-N 3.1Å; D224-R226 WeakPolarHBondContact OD1-CA 3.37Å; D224-R226 VanDerWaalsContact OD1-CB 3.23Å; D224-R226 WeakPolarHBondContact OD1-CB 3.11Å; D224-R226 WeakPolarHBondContact OD1-CG 3.39Å; D224-R226 PolarHBondContact OD1-N 3.19Å; D224-C227 PolarHBondContact O-N 2.97Å; D224-I249 CarbonylContact C-O 3.6Å; D224-I249 WeakPolarHBondContact CA-O 3.49Å; D224-I251 WeakPolarHBondContact OD2-CB 3.43Å; D224-I251 WeakPolarHBondContact OD2-CG2 3.33Å; D224-I251 PolarHBondContact OD2-N 2.87Å; D224-Y269 HydrophobicContact CB-CE2 3.98Å; D224-Y269 PolarHBondContact OD2-OH 2.81Å; D224-L270 WeakPolarHBondContact CB-O 3.38Å; D224-L270 PolarHBondContact N-O 3.04Å; D224-L271 HydrophobicContact CB-CB 4.01Å
225	R	96.9	Very high	97.4	Very high	141 Å²	141	38.4 Å²	38.4	53%	0.532	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.8	175.1	72.1	178.6	178.6	174.9	-4.9	113.6	V248 I249 S250 D252	R225-V248 HydrophobicContact CB-CG1 3.7Å; R225-I249 PolarHBondContact N-O 2.98Å; R225-S250 PolarHBondContact NE-OG 3.28Å; R225-S250 PolarHBondContact NH2-OG 3.25Å; R225-D252 IonicContact NH2-OD1 3.43Å; R225-D252 IonicContact NH2-OD2 3.26Å; R225-D252 PolarHBondContact NH2-OD2 3.36Å
226	R	96.7	Very high	97.3	Very high	15 Å²	15	35.1 Å²	35.1	6%	0.057	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	8.5	-178.7	-54.1	172.8	166.1	-179.1	-16.5	113.2	D224 D252 D275 T276	D224-R226 PolarHBondContact O-N 2.93Å; D224-R226 VanDerWaalsContact O-N 3.1Å; D224-R226 WeakPolarHBondContact OD1-CA 3.37Å; D224-R226 VanDerWaalsContact OD1-CB 3.23Å; D224-R226 WeakPolarHBondContact OD1-CB 3.11Å; D224-R226 WeakPolarHBondContact OD1-CG 3.39Å; D224-R226 PolarHBondContact OD1-N 3.19Å; R226-D252 VanDerWaalsContact CZ-CB 3.49Å; R226-D252 VanDerWaalsContact CZ-CG 3.48Å; R226-D252 IonicContact CZ-OD2 3.72Å; R226-D252 VanDerWaalsContact CZ-OD2 3.25Å; R226-D252 IonicContact NE-OD2 3.99Å; R226-D252 IonicContact NH2-OD2 2.71Å; R226-D252 PolarHBondContact NH2-OD2 3.27Å; R226-D275 HydrophobicContact CB-CB 3.88Å; R226-D275 WeakPolarHBondContact CD-OD2 3.22Å; R226-D275 IonicContact NH1-OD2 3.6Å; R226-T276 VanDerWaalsContact O-CB 3.31Å; R226-T276 WeakPolarHBondContact O-CB 3.43Å; R226-T276 VanDerWaalsContact O-CG2 3.27Å; R226-T276 WeakPolarHBondContact O-CG2 3.43Å; R226-T276 PolarHBondContact O-N 3.27Å
227	C	98.3	Very high	97.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	16%	0.16	C	C	.	.	S	Bend	trans	-64.1	160.3	157.9	-69	0	0	0	0	110.6	D224 I232 Q272	D224-C227 PolarHBondContact O-N 2.97Å; C227-I232 HydrophobicContact CB-CD1 4.19Å; C227-I232 HydrophobicContact CB-CG1 3.8Å; C227-I232 WeakPolarHBondContact O-CD1 3.43Å; C227-Q272 HydrophobicContact CB-CB 4.46Å
228	H	98	Very high	97.2	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.023	13%	0.125	C	C	.	.			trans	-58.2	140.7	175.9	-68.2	-39.3	0	0	0	111	Q138 G139 E201 Q230 T231 I232 Q272 T276	Q138-H228 VanDerWaalsContact CA-CE1 3.42Å; Q138-H228 WeakPolarHBondContact CA-CE1 3.4Å; G139-H228 PolarHBondContact N-NE2 3.38Å; G139-H228 VanDerWaalsContact N-NE2 3.13Å; E201-H228 IonicContact OE1-CD2 2.7Å; E201-H228 PolarHBondContact OE1-CD2 3.12Å; H228-Q230 VanDerWaalsContact C-N 3.3Å; H228-Q230 PolarHBondContact O-N 3.44Å; H228-T231 WeakPolarHBondContact O-CA 3.4Å; H228-T231 WeakPolarHBondContact O-CB 3.37Å; H228-T231 PolarHBondContact O-N 2.93Å; H228-I232 PolarHBondContact O-N 3.07Å; H228-Q272 PolarHBondContact CD2-NE2 3.44Å; H228-Q272 PolarHBondContact CD2-OE1 3.4Å; H228-Q272 PolarHBondContact CE1-NE2 3.34Å; H228-Q272 PolarHBondContact ND1-NE2 2.97Å; H228-Q272 PolarHBondContact NE2-NE2 3.23Å; H228-T276 VanDerWaalsContact ND1-CB 3.34Å; H228-T276 WeakPolarHBondContact ND1-CB 3.14Å; H228-T276 PolarHBondContact ND1-OG1 2.87Å
229	P	96.1	Very high	97.1	Very high	44 Å²	44	24.8 Å²	24.8	29%	0.286	12%	0.115	S	C	.	.	H	α-helix	trans	-56.4	-40	-175	-27.6	35.2	0	0	0	114.1	I232 N233 Y794	P229-I232 PolarHBondContact O-N 2.87Å; P229-N233 WeakPolarHBondContact O-CB 3.22Å; P229-N233 PolarHBondContact O-N 3.43Å; P229-Y794 HydrophobicContact CB-CD1 4.46Å; P229-Y794 HydrophobicContact CB-CD2 4.34Å; P229-Y794 HydrophobicContact CB-CE1 4.04Å; P229-Y794 HydrophobicContact CB-CE2 3.9Å
230	Q	96.2	Very high	96.9	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-67	-36.3	175.7	71.1	-75.9	2	0	0	112.5	Q138 H228 N233 V234 F592 Y794 S822	Q138-Q230 PolarHBondContact O-NE2 3.32Å; H228-Q230 VanDerWaalsContact C-N 3.3Å; H228-Q230 PolarHBondContact O-N 3.44Å; Q230-N233 PolarHBondContact O-N 2.73Å; Q230-V234 WeakPolarHBondContact O-CG2 3.45Å; Q230-V234 PolarHBondContact O-N 3.03Å; Q230-F592 HydrophobicContact CB-CZ 4.43Å; Q230-F592 HydrophobicContact CG-CZ 4.12Å; Q230-Y794 HydrophobicContact CB-CD1 4.29Å; Q230-Y794 HydrophobicContact CB-CE1 3.99Å; Q230-S822 WeakPolarHBondContact CB-O 3.38Å; Q230-S822 WeakPolarHBondContact CG-O 3.43Å
231	T	98	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.1	-46.4	175.7	-62.6	0	0	0	0	110.1	E201 S205 H228 N233 V234 V235 L270	E201-T231 PolarHBondContact OE1-OG1 3.43Å; S205-T231 VanDerWaalsContact OG-CG2 3.31Å; S205-T231 WeakPolarHBondContact OG-CG2 3.5Å; H228-T231 WeakPolarHBondContact O-CA 3.4Å; H228-T231 WeakPolarHBondContact O-CB 3.37Å; H228-T231 PolarHBondContact O-N 2.93Å; T231-N233 VanDerWaalsContact C-N 3.3Å; T231-N233 PolarHBondContact O-N 3.46Å; T231-V234 PolarHBondContact O-N 3.08Å; T231-V235 HydrophobicContact CG2-CG2 4.4Å; T231-V235 WeakPolarHBondContact O-CB 3.37Å; T231-V235 VanDerWaalsContact O-CG2 3.24Å; T231-V235 WeakPolarHBondContact O-CG2 3.41Å; T231-V235 PolarHBondContact O-N 3.24Å; T231-L270 HydrophobicContact CG2-CD2 4.45Å
232	I	97.2	Very high	96.2	Very high	36 Å²	36	23.9 Å²	23.9	19%	0.185	12%	0.115	C	C	.	.	H	α-helix	trans	-57.6	-45.1	174.1	-65.5	173	0	0	0	110.5	L223 C227 H228 P229 T236	L223-I232 HydrophobicContact CD2-CB 4.22Å; L223-I232 HydrophobicContact CD2-CG1 4.13Å; L223-I232 HydrophobicContact CD2-CG2 3.88Å; L223-I232 HydrophobicContact CG-CG1 4.41Å; C227-I232 HydrophobicContact CB-CD1 4.19Å; C227-I232 HydrophobicContact CB-CG1 3.8Å; C227-I232 WeakPolarHBondContact O-CD1 3.43Å; H228-I232 PolarHBondContact O-N 3.07Å; P229-I232 PolarHBondContact O-N 2.87Å; I232-T236 HydrophobicContact CG2-CG2 4.23Å; I232-T236 WeakPolarHBondContact O-CB 3.25Å; I232-T236 VanDerWaalsContact O-CG2 3.25Å; I232-T236 WeakPolarHBondContact O-CG2 2.97Å; I232-T236 PolarHBondContact O-N 2.98Å; I232-T236 PolarHBondContact O-OG1 3.18Å
233	N	94.8	Very high	96	Very high	40 Å²	40	28.7 Å²	28.7	21%	0.214	15%	0.148	C	C	.	.	H	α-helix	trans	-66.9	-41.1	-176.8	-163.4	-130.3	0	0	0	112.8	P229 Q230 T231 T236 S237 A819	P229-N233 WeakPolarHBondContact O-CB 3.22Å; P229-N233 PolarHBondContact O-N 3.43Å; Q230-N233 PolarHBondContact O-N 2.73Å; T231-N233 VanDerWaalsContact C-N 3.3Å; T231-N233 PolarHBondContact O-N 3.46Å; N233-T236 PolarHBondContact O-OG1 3.45Å; N233-T236 VanDerWaalsContact O-OG1 3.1Å; N233-S237 WeakPolarHBondContact O-CB 3.35Å; N233-S237 PolarHBondContact O-N 3.05Å; N233-S237 PolarHBondContact O-OG 2.88Å; N233-A819 HydrophobicContact CB-CB 4.35Å; N233-A819 WeakPolarHBondContact OD1-CB 3.45Å
234	V	97.1	Very high	95.9	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-68.3	-45.1	176	176	0	0	0	0	111.5	G202 T203 A206 Q230 T231 S237 R238 A819 C821	G202-V234 WeakPolarHBondContact O-CG1 3.23Å; T203-V234 HydrophobicContact CG2-CG1 4.24Å; A206-V234 HydrophobicContact CB-CG1 4.25Å; Q230-V234 WeakPolarHBondContact O-CG2 3.45Å; Q230-V234 PolarHBondContact O-N 3.03Å; T231-V234 PolarHBondContact O-N 3.08Å; V234-S237 PolarHBondContact O-N 3.09Å; V234-R238 PolarHBondContact O-N 3.46Å; V234-A819 HydrophobicContact CG2-CB 3.97Å; V234-C821 WeakPolarHBondContact CG2-O 3.32Å
235	V	97.9	Very high	95.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-50.3	178.9	171.5	0	0	0	0	111	A206 M209 L223 T231 S237 R238 A239 I246 L270	A206-V235 HydrophobicContact CB-CG2 4.35Å; M209-V235 HydrophobicContact SD-CG1 3.85Å; L223-V235 HydrophobicContact CD2-CG1 4.29Å; T231-V235 HydrophobicContact CG2-CG2 4.4Å; T231-V235 WeakPolarHBondContact O-CB 3.37Å; T231-V235 VanDerWaalsContact O-CG2 3.24Å; T231-V235 WeakPolarHBondContact O-CG2 3.41Å; T231-V235 PolarHBondContact O-N 3.24Å; V235-S237 VanDerWaalsContact C-N 3.32Å; V235-S237 PolarHBondContact O-N 3.47Å; V235-R238 PolarHBondContact O-N 3.29Å; V235-A239 VanDerWaalsContact O-CB 3.28Å; V235-A239 WeakPolarHBondContact O-CB 3.04Å; V235-A239 PolarHBondContact O-N 3.39Å; V235-I246 HydrophobicContact CG1-CD1 4.49Å; V235-L270 HydrophobicContact CG2-CD2 4.01Å
236	T	96.3	Very high	95.9	Very high	44 Å²	44	28.6 Å²	28.6	27%	0.27	16%	0.155	S	C	.	.	H	α-helix	trans	-62.4	-39	178.3	51.8	0	0	0	0	112.1	L223 I232 N233 A239 K240 I246	L223-T236 HydrophobicContact CD2-CG2 4.03Å; I232-T236 HydrophobicContact CG2-CG2 4.23Å; I232-T236 WeakPolarHBondContact O-CB 3.25Å; I232-T236 VanDerWaalsContact O-CG2 3.25Å; I232-T236 WeakPolarHBondContact O-CG2 2.97Å; I232-T236 PolarHBondContact O-N 2.98Å; I232-T236 PolarHBondContact O-OG1 3.18Å; N233-T236 PolarHBondContact O-OG1 3.45Å; N233-T236 VanDerWaalsContact O-OG1 3.1Å; T236-A239 PolarHBondContact O-N 3.24Å; T236-K240 WeakPolarHBondContact O-CB 3.49Å; T236-K240 PolarHBondContact O-N 3.25Å; T236-I246 HydrophobicContact CG2-CB 4.48Å; T236-I246 HydrophobicContact CG2-CG1 4.32Å; T236-I246 HydrophobicContact CG2-CG2 4.14Å
237	S	94.3	Very high	96	Very high	7 Å²	7	29.4 Å²	29.4	5%	0.049	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-46.3	175.3	-65.1	0	0	0	0	112.1	N233 V234 V235 N241 Y818 A819	N233-S237 WeakPolarHBondContact O-CB 3.35Å; N233-S237 PolarHBondContact O-N 3.05Å; N233-S237 PolarHBondContact O-OG 2.88Å; V234-S237 PolarHBondContact O-N 3.09Å; V235-S237 VanDerWaalsContact C-N 3.32Å; V235-S237 PolarHBondContact O-N 3.47Å; S237-N241 PolarHBondContact O-ND2 3.48Å; S237-Y818 WeakPolarHBondContact OG-CA 3.43Å; S237-A819 WeakPolarHBondContact CB-O 3.39Å; S237-A819 PolarHBondContact OG-N 3.22Å
238	R	96.2	Very high	95.9	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.011	18%	0.184	C	C	.	.	H	α-helix	trans	-66.6	-41.1	176.6	-172.9	67.7	67.3	89.8	-8.7	111.7	A206 E207 M209 V234 V235 K240 N241 L242 Y633 M670	A206-R238 HydrophobicContact CB-CB 3.97Å; A206-R238 HydrophobicContact CB-CG 4.13Å; E207-R238 IonicContact OE1-NH1 3.01Å; E207-R238 PolarHBondContact OE1-NH1 2.92Å; M209-R238 HydrophobicContact CE-CB 4.2Å; M209-R238 HydrophobicContact CE-CG 4.13Å; V234-R238 PolarHBondContact O-N 3.46Å; V235-R238 PolarHBondContact O-N 3.29Å; R238-K240 PolarHBondContact O-N 3.33Å; R238-N241 PolarHBondContact O-N 3.04Å; R238-L242 HydrophobicContact CG-CD1 4.36Å; R238-L242 PolarHBondContact O-N 3.22Å; R238-Y633 PolarHBondContact NE-OH 3.45Å; R238-M670 VanDerWaalsContact NH1-CE 3.26Å; R238-M670 PolarHBondContact NH1-SD 2.95Å; R238-M670 PolarHBondContact NH2-SD 3.24Å
239	A	96.2	Very high	95.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-46.6	-178.7	0	0	0	0	0	112.4	M209 V235 T236 N241 L242 S243 I244 I246	M209-A239 HydrophobicContact CE-CB 3.89Å; M209-A239 HydrophobicContact SD-CB 3.66Å; V235-A239 VanDerWaalsContact O-CB 3.28Å; V235-A239 WeakPolarHBondContact O-CB 3.04Å; V235-A239 PolarHBondContact O-N 3.39Å; T236-A239 PolarHBondContact O-N 3.24Å; A239-N241 PolarHBondContact O-N 2.73Å; A239-L242 CarbonylContact O-C 3.48Å; A239-L242 PolarHBondContact O-N 3.41Å; A239-L242 VanDerWaalsContact O-N 3.12Å; A239-S243 PolarHBondContact O-N 3.1Å; A239-I244 HydrophobicContact CB-CB 4.01Å; A239-I244 HydrophobicContact CB-CG2 4.37Å; A239-I244 PolarHBondContact O-N 3.36Å; A239-I246 HydrophobicContact CB-CD1 3.51Å; A239-I246 HydrophobicContact CB-CG1 3.43Å; A239-I246 VanDerWaalsContact CB-CG1 3.43Å
240	K	92.3	Very high	95.8	Very high	111 Å²	111	31.8 Å²	31.8	48%	0.483	18%	0.175	S	C	.	.	H	α-helix	trans	-54.7	-37.5	178.6	-174.4	177.9	-178	177.6	0	112.5	T236 R238 S243 S815	T236-K240 WeakPolarHBondContact O-CB 3.49Å; T236-K240 PolarHBondContact O-N 3.25Å; R238-K240 PolarHBondContact O-N 3.33Å; K240-S243 PolarHBondContact O-N 3.43Å; K240-S815 VanDerWaalsContact NZ-C 3.29Å; K240-S815 PolarHBondContact NZ-O 2.67Å
241	N	88.8	Confident	95.8	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.037	18%	0.175	C	C	.	.	H	α-helix	trans	-73.4	-32.5	-177.3	-57	-32.5	0	0	0	112.8	S237 R238 A239 S243 Y633 K637 G672	S237-N241 PolarHBondContact O-ND2 3.48Å; R238-N241 PolarHBondContact O-N 3.04Å; A239-N241 PolarHBondContact O-N 2.73Å; N241-S243 VanDerWaalsContact C-N 3.3Å; N241-Y633 PolarHBondContact ND2-OH 3.38Å; N241-K637 HydrophobicContact CB-CD 4.47Å; N241-K637 VanDerWaalsContact CG-CD 3.45Å; N241-K637 VanDerWaalsContact ND2-CD 3.27Å; N241-K637 WeakPolarHBondContact ND2-CD 3.29Å; N241-K637 WeakPolarHBondContact ND2-CE 3.48Å; N241-K637 WeakPolarHBondContact OD1-CD 3.23Å; N241-K637 WeakPolarHBondContact OD1-CE 3.41Å; N241-K637 PolarHBondContact OD1-NZ 3.16Å; N241-G672 WeakPolarHBondContact O-CA 3.42Å
242	L	93	Very high	95.5	Very high	39 Å²	39	33.8 Å²	33.8	20%	0.204	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	10.4	-178.9	-63.8	175.8	0	0	0	112.8	K219 R238 A239 I244 Q669	K219-L242 PolarHBondContact NZ-O 2.86Å; R238-L242 HydrophobicContact CG-CD1 4.36Å; R238-L242 PolarHBondContact O-N 3.22Å; A239-L242 CarbonylContact O-C 3.48Å; A239-L242 PolarHBondContact O-N 3.41Å; A239-L242 VanDerWaalsContact O-N 3.12Å; L242-I244 VanDerWaalsContact C-N 3.25Å; L242-I244 HydrophobicContact CB-CD1 3.73Å; L242-I244 HydrophobicContact CB-CG1 4Å; L242-I244 HydrophobicContact CD1-CD1 4.15Å; L242-I244 PolarHBondContact O-N 3.04Å; L242-Q669 WeakPolarHBondContact CD2-O 3.38Å
243	S	93.9	Very high	95.4	Very high	100 Å²	100	36 Å²	36	70%	0.699	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	44.7	-174.8	-55.1	0	0	0	0	112	A239 K240 N241	A239-S243 PolarHBondContact O-N 3.1Å; K240-S243 PolarHBondContact O-N 3.43Å; N241-S243 VanDerWaalsContact C-N 3.3Å
244	I	97.2	Very high	95.3	Very high	9 Å²	9	35 Å²	35	5%	0.046	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-97.3	121.9	173.3	-59.8	161.2	0	0	0	107.5	M209 V213 K219 F221 A239 L242 I246	M209-I244 HydrophobicContact CE-CD1 3.91Å; M209-I244 HydrophobicContact SD-CD1 4.22Å; M209-I244 HydrophobicContact SD-CG2 4.23Å; V213-I244 HydrophobicContact CG1-CD1 4.47Å; V213-I244 HydrophobicContact CG2-CD1 3.86Å; V213-I244 HydrophobicContact CG2-CG1 4.17Å; V213-I244 HydrophobicContact CG2-CG2 4.33Å; K219-I244 HydrophobicContact CD-CG1 4.07Å; K219-I244 CarbonylContact O-C 3.31Å; K219-I244 WeakPolarHBondContact O-CA 3.3Å; F221-I244 HydrophobicContact CB-CG2 3.93Å; A239-I244 HydrophobicContact CB-CB 4.01Å; A239-I244 HydrophobicContact CB-CG2 4.37Å; A239-I244 PolarHBondContact O-N 3.36Å; L242-I244 VanDerWaalsContact C-N 3.25Å; L242-I244 HydrophobicContact CB-CD1 3.73Å; L242-I244 HydrophobicContact CB-CG1 4Å; L242-I244 HydrophobicContact CD1-CD1 4.15Å; L242-I244 PolarHBondContact O-N 3.04Å; I244-I246 HydrophobicContact CG2-CD1 4.27Å; I244-I246 PolarHBondContact O-N 2.86Å
245	E	98	Very high	95.3	Very high	94 Å²	94	40.7 Å²	40.7	44%	0.439	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	119.4	174.7	-173.3	-166.1	156.4	0	0	109.6	K219 R220 F221 V247	K219-E245 PolarHBondContact O-N 3.23Å; R220-E245 CarbonylContact C-O 3.55Å; R220-E245 WeakPolarHBondContact CA-O 3.38Å; R220-E245 HydrophobicContact CG-CB 4.39Å; R220-E245 IonicContact CZ-OE1 2.72Å; R220-E245 IonicContact CZ-OE2 2.75Å; R220-E245 IonicContact NE-OE1 3.62Å; R220-E245 PolarHBondContact NE-OE1 3.31Å; R220-E245 IonicContact NE-OE2 2.76Å; R220-E245 PolarHBondContact NE-OE2 3.49Å; R220-E245 IonicContact NH2-OE1 2.8Å; R220-E245 PolarHBondContact NH2-OE1 3.19Å; R220-E245 IonicContact NH2-OE2 3.46Å; F221-E245 PolarHBondContact N-O 3.47Å; E245-V247 HydrophobicContact CG-CG2 4.46Å
246	I	97.9	Very high	95.2	Very high	38 Å²	38	44.3 Å²	44.3	20%	0.195	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.3	172.8	-59.3	-57.2	0	0	0	109.3	M209 F221 L223 V235 T236 A239 I244 V248	M209-I246 HydrophobicContact SD-CD1 3.78Å; F221-I246 HydrophobicContact CB-CD1 3.94Å; F221-I246 HydrophobicContact CD1-CD1 3.92Å; F221-I246 HydrophobicContact CG-CD1 4.35Å; F221-I246 WeakPolarHBondContact O-CA 3.44Å; L223-I246 HydrophobicContact CB-CG2 3.79Å; L223-I246 HydrophobicContact CD2-CG2 4.01Å; V235-I246 HydrophobicContact CG1-CD1 4.49Å; T236-I246 HydrophobicContact CG2-CB 4.48Å; T236-I246 HydrophobicContact CG2-CG1 4.32Å; T236-I246 HydrophobicContact CG2-CG2 4.14Å; A239-I246 HydrophobicContact CB-CD1 3.51Å; A239-I246 HydrophobicContact CB-CG1 3.43Å; A239-I246 VanDerWaalsContact CB-CG1 3.43Å; I244-I246 HydrophobicContact CG2-CD1 4.27Å; I244-I246 PolarHBondContact O-N 2.86Å; I246-V248 HydrophobicContact CG2-CG2 4Å
247	V	97.8	Very high	95.2	Very high	32 Å²	32	42.2 Å²	42.2	19%	0.194	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	112.8	169.5	-178.7	0	0	0	0	108	F221 L222 L223 E245 I249 F266	F221-V247 PolarHBondContact O-N 3.45Å; L222-V247 WeakPolarHBondContact CA-O 3.34Å; L222-V247 HydrophobicContact CD2-CB 3.92Å; L222-V247 HydrophobicContact CD2-CG1 4.11Å; L223-V247 PolarHBondContact N-O 3.1Å; E245-V247 HydrophobicContact CG-CG2 4.46Å; V247-I249 HydrophobicContact CG1-CG2 4.04Å; V247-F266 HydrophobicContact CB-CE1 4.06Å; V247-F266 HydrophobicContact CG2-CE1 3.79Å; V247-F266 HydrophobicContact CG2-CZ 4.21Å
248	V	96.8	Very high	95.3	Very high	80 Å²	80	44.8 Å²	44.8	49%	0.485	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	119.2	180	-178.4	0	0	0	0	109.3	L223 R225 I246	L223-V248 CarbonylContact O-C 3.35Å; L223-V248 VanDerWaalsContact O-CA 3.26Å; L223-V248 WeakPolarHBondContact O-CA 3.47Å; R225-V248 HydrophobicContact CB-CG1 3.7Å; I246-V248 HydrophobicContact CG2-CG2 4Å
249	I	96.9	Very high	95.3	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.046	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	-171	177.8	62.6	165	0	0	0	110	L222 L223 D224 R225 V247 A257 I260 Y269	L222-I249 HydrophobicContact CB-CD1 4.33Å; L222-I249 HydrophobicContact CB-CG1 4.49Å; L222-I249 HydrophobicContact CD1-CD1 4.19Å; L222-I249 HydrophobicContact CD2-CD1 4.05Å; L222-I249 HydrophobicContact CD2-CG1 4.31Å; L222-I249 HydrophobicContact CD2-CG2 4.14Å; L222-I249 HydrophobicContact CG-CD1 4.42Å; L223-I249 PolarHBondContact O-N 2.93Å; D224-I249 CarbonylContact C-O 3.6Å; D224-I249 WeakPolarHBondContact CA-O 3.49Å; R225-I249 PolarHBondContact N-O 2.98Å; V247-I249 HydrophobicContact CG1-CG2 4.04Å; I249-A257 HydrophobicContact CD1-CB 3.85Å; I249-I260 HydrophobicContact CG2-CD1 3.8Å; I249-Y269 HydrophobicContact CD1-CD1 4.43Å; I249-Y269 HydrophobicContact CD1-CD2 4.34Å; I249-Y269 HydrophobicContact CD1-CE1 3.84Å; I249-Y269 HydrophobicContact CD1-CE2 3.78Å; I249-Y269 HydrophobicContact CG1-CE2 3.74Å
250	S	95.8	Very high	95.3	Very high	10 Å²	10	52.4 Å²	52.4	7%	0.07	27%	0.274	C	S	.	.			trans	-145.3	127.7	-177.7	-174.5	0	0	0	0	110.8	R225 D252 N253	R225-S250 PolarHBondContact NE-OG 3.28Å; R225-S250 PolarHBondContact NH2-OG 3.25Å; S250-D252 WeakPolarHBondContact CB-OD1 3.43Å; S250-D252 PolarHBondContact O-N 2.85Å; S250-D252 VanDerWaalsContact O-N 3.13Å; S250-D252 PolarHBondContact OG-OD1 3.23Å; S250-D252 PolarHBondContact OG-OD2 3.02Å; S250-N253 PolarHBondContact O-N 3.25Å
251	I	95	Very high	95.5	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.3	-178.9	-167.7	59.5	0	0	0	113	D224 N253 V254 Y269 L271 W281 K284 I285 V288	D224-I251 WeakPolarHBondContact OD2-CB 3.43Å; D224-I251 WeakPolarHBondContact OD2-CG2 3.33Å; D224-I251 PolarHBondContact OD2-N 2.87Å; I251-N253 PolarHBondContact O-N 2.79Å; I251-V254 WeakPolarHBondContact O-CG2 3.31Å; I251-Y269 HydrophobicContact CD1-CE1 4.45Å; I251-Y269 PolarHBondContact N-OH 2.68Å; I251-L271 HydrophobicContact CD1-CD2 4.3Å; I251-W281 HydrophobicContact CG1-CB 4.32Å; I251-W281 HydrophobicContact CG2-CB 4.35Å; I251-W281 HydrophobicContact CG2-CG 3.95Å; I251-K284 HydrophobicContact CD1-CB 4.21Å; I251-K284 HydrophobicContact CG1-CB 4.01Å; I251-K284 VanDerWaalsContact O-CD 3.24Å; I251-K284 WeakPolarHBondContact O-CD 2.88Å; I251-I285 HydrophobicContact CG1-CG1 4.41Å; I251-V288 HydrophobicContact CD1-CB 4.33Å; I251-V288 HydrophobicContact CD1-CG2 3.6Å
252	D	91.3	Very high	95.8	Very high	41 Å²	41	50 Å²	50	22%	0.219	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.9	171.7	50.4	12.7	0	0	0	113.7	R225 R226 S250 K284	R225-D252 IonicContact NH2-OD1 3.43Å; R225-D252 IonicContact NH2-OD2 3.26Å; R225-D252 PolarHBondContact NH2-OD2 3.36Å; R226-D252 VanDerWaalsContact CZ-CB 3.49Å; R226-D252 VanDerWaalsContact CZ-CG 3.48Å; R226-D252 IonicContact CZ-OD2 3.72Å; R226-D252 VanDerWaalsContact CZ-OD2 3.25Å; R226-D252 IonicContact NE-OD2 3.99Å; R226-D252 IonicContact NH2-OD2 2.71Å; R226-D252 PolarHBondContact NH2-OD2 3.27Å; S250-D252 WeakPolarHBondContact CB-OD1 3.43Å; S250-D252 PolarHBondContact O-N 2.85Å; S250-D252 VanDerWaalsContact O-N 3.13Å; S250-D252 PolarHBondContact OG-OD1 3.23Å; S250-D252 PolarHBondContact OG-OD2 3.02Å; D252-K284 PolarHBondContact O-NZ 2.92Å
253	N	95	Very high	96	Very high	83 Å²	83	51.6 Å²	51.6	44%	0.444	28%	0.283	S	S	.	.			trans	-102.7	74.2	176.9	-169.2	-10.2	0	0	0	110.3	S250 I251 D255 H256 A257	S250-N253 PolarHBondContact O-N 3.25Å; I251-N253 PolarHBondContact O-N 2.79Å; N253-D255 VanDerWaalsContact C-N 3.31Å; N253-D255 PolarHBondContact O-N 3.23Å; N253-H256 HydrophobicContact CB-CB 4.25Å; N253-H256 VanDerWaalsContact CG-CB 3.45Å; N253-H256 PolarHBondContact O-N 3.41Å; N253-H256 WeakPolarHBondContact OD1-CB 3.47Å; N253-H256 PolarHBondContact OD1-N 3.4Å; N253-A257 PolarHBondContact O-N 2.84Å; N253-A257 VanDerWaalsContact O-N 3.1Å
254	V	94.4	Very high	96	Very high	19 Å²	19	47.8 Å²	47.8	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-40.1	-176.6	-179.3	0	0	0	0	112.1	I251 H256 A257 K258 K284 A287 V288	I251-V254 WeakPolarHBondContact O-CG2 3.31Å; V254-H256 VanDerWaalsContact C-N 3.33Å; V254-H256 PolarHBondContact O-N 3.44Å; V254-A257 WeakPolarHBondContact O-CB 3.3Å; V254-A257 PolarHBondContact O-N 3.09Å; V254-K258 HydrophobicContact CG1-CD 4.01Å; V254-K258 HydrophobicContact CG1-CG 4.11Å; V254-K258 WeakPolarHBondContact O-CB 3.49Å; V254-K258 VanDerWaalsContact O-CG 3.31Å; V254-K258 WeakPolarHBondContact O-CG 3.11Å; V254-K258 PolarHBondContact O-N 3.11Å; V254-K284 HydrophobicContact CG2-CB 3.53Å; V254-K284 HydrophobicContact CG2-CD 3.51Å; V254-K284 HydrophobicContact CG2-CG 3.52Å; V254-A287 HydrophobicContact CG1-CB 4Å; V254-V288 HydrophobicContact CG1-CG2 4.18Å
255	D	96.4	Very high	96	Very high	123 Å²	123	52 Å²	52	66%	0.658	28%	0.28	S	S	*	.	H	α-helix	trans	-63.3	-42.5	-177.7	-64.1	-31.8	0	0	0	111.1	N253 K258 E259	N253-D255 VanDerWaalsContact C-N 3.31Å; N253-D255 PolarHBondContact O-N 3.23Å; D255-K258 PolarHBondContact O-N 3.24Å; D255-E259 WeakPolarHBondContact O-CB 3.45Å; D255-E259 PolarHBondContact O-N 3.34Å
256	H	96.2	Very high	96	Very high	75 Å²	75	47.7 Å²	47.7	35%	0.347	26%	0.26	S	S	.	.	H	α-helix	trans	-64.5	-41.2	173.8	-175.2	56.5	0	0	0	112.6	N253 V254 K258 E259 I260	N253-H256 HydrophobicContact CB-CB 4.25Å; N253-H256 VanDerWaalsContact CG-CB 3.45Å; N253-H256 PolarHBondContact O-N 3.41Å; N253-H256 WeakPolarHBondContact OD1-CB 3.47Å; N253-H256 PolarHBondContact OD1-N 3.4Å; V254-H256 VanDerWaalsContact C-N 3.33Å; V254-H256 PolarHBondContact O-N 3.44Å; H256-K258 VanDerWaalsContact C-N 3.35Å; H256-K258 PolarHBondContact O-N 3.46Å; H256-E259 IonicContact ND1-OE2 3.69Å; H256-E259 PolarHBondContact O-N 3.47Å; H256-I260 WeakPolarHBondContact CE1-CD1 3.35Å; H256-I260 WeakPolarHBondContact NE2-CD1 3.37Å; H256-I260 WeakPolarHBondContact O-CG1 3.48Å; H256-I260 PolarHBondContact O-N 2.86Å
257	A	95.3	Very high	96	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-60	-46	174.4	0	0	0	0	0	111	I249 N253 V254 I260 I261 Y269 V288	I249-A257 HydrophobicContact CD1-CB 3.85Å; N253-A257 PolarHBondContact O-N 2.84Å; N253-A257 VanDerWaalsContact O-N 3.1Å; V254-A257 WeakPolarHBondContact O-CB 3.3Å; V254-A257 PolarHBondContact O-N 3.09Å; A257-I260 PolarHBondContact O-N 2.92Å; A257-I261 WeakPolarHBondContact O-CB 2.98Å; A257-I261 VanDerWaalsContact O-CD1 3.25Å; A257-I261 WeakPolarHBondContact O-CD1 3.45Å; A257-I261 WeakPolarHBondContact O-CG1 3.36Å; A257-I261 PolarHBondContact O-N 3.34Å; A257-Y269 HydrophobicContact CB-CE1 4.43Å; A257-V288 HydrophobicContact CB-CG2 4.12Å
258	K	96.6	Very high	96	Very high	61 Å²	61	44.4 Å²	44.4	27%	0.265	24%	0.241	S	C	.	.	H	α-helix	trans	-61.5	-45.1	177.5	-72.3	-178.5	170.4	-177.6	0	112.2	V254 D255 H256 I261 S262 A287 V291	V254-K258 HydrophobicContact CG1-CD 4.01Å; V254-K258 HydrophobicContact CG1-CG 4.11Å; V254-K258 WeakPolarHBondContact O-CB 3.49Å; V254-K258 VanDerWaalsContact O-CG 3.31Å; V254-K258 WeakPolarHBondContact O-CG 3.11Å; V254-K258 PolarHBondContact O-N 3.11Å; D255-K258 PolarHBondContact O-N 3.24Å; H256-K258 VanDerWaalsContact C-N 3.35Å; H256-K258 PolarHBondContact O-N 3.46Å; K258-I261 PolarHBondContact O-N 3.3Å; K258-S262 VanDerWaalsContact O-CB 3.29Å; K258-S262 WeakPolarHBondContact O-CB 3.22Å; K258-S262 PolarHBondContact O-N 2.92Å; K258-S262 PolarHBondContact O-OG 3.15Å; K258-A287 WeakPolarHBondContact CE-O 3.4Å; K258-V291 HydrophobicContact CB-CG2 4.32Å; K258-V291 HydrophobicContact CD-CG2 4.11Å; K258-V291 HydrophobicContact CG-CB 4.43Å; K258-V291 HydrophobicContact CG-CG2 3.8Å
259	E	96.8	Very high	96.1	Very high	136 Å²	136	40.6 Å²	40.6	64%	0.636	22%	0.218	S	C	*	.	H	α-helix	trans	-57	-51.5	176.8	-176.2	-170.5	174.4	0	0	111.1	D255 H256 S262	D255-E259 WeakPolarHBondContact O-CB 3.45Å; D255-E259 PolarHBondContact O-N 3.34Å; H256-E259 IonicContact ND1-OE2 3.69Å; H256-E259 PolarHBondContact O-N 3.47Å; E259-S262 PolarHBondContact O-N 2.91Å
260	I	95.3	Very high	96.2	Very high	27 Å²	27	40.1 Å²	40.1	14%	0.138	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-45.4	-179	-71.9	179.4	0	0	0	111.6	L222 I249 H256 A257 S262 T263 F266	L222-I260 HydrophobicContact CD1-CG2 4.1Å; L222-I260 HydrophobicContact CD2-CG2 3.59Å; L222-I260 HydrophobicContact CG-CG2 4.42Å; I249-I260 HydrophobicContact CG2-CD1 3.8Å; H256-I260 WeakPolarHBondContact CE1-CD1 3.35Å; H256-I260 WeakPolarHBondContact NE2-CD1 3.37Å; H256-I260 WeakPolarHBondContact O-CG1 3.48Å; H256-I260 PolarHBondContact O-N 2.86Å; A257-I260 PolarHBondContact O-N 2.92Å; I260-S262 VanDerWaalsContact C-N 3.27Å; I260-S262 PolarHBondContact O-N 3.06Å; I260-T263 WeakPolarHBondContact O-CB 3.31Å; I260-T263 VanDerWaalsContact O-CG2 3.27Å; I260-T263 WeakPolarHBondContact O-CG2 3.33Å; I260-T263 PolarHBondContact O-N 3.08Å; I260-T263 PolarHBondContact O-OG1 3.39Å; I260-F266 HydrophobicContact CG2-CD2 3.96Å; I260-F266 HydrophobicContact CG2-CE1 4.37Å; I260-F266 HydrophobicContact CG2-CE2 3.22Å; I260-F266 HydrophobicContact CG2-CZ 3.46Å; I260-F266 VanDerWaalsContact CG2-CZ 3.46Å; I260-F266 WeakPolarHBondContact O-CE2 3.43Å
261	I	96.4	Very high	96.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-36	-179.5	-66.3	161.1	0	0	0	110.9	L222 A257 K258 T263 G264 Y269 V288 V291 T292 N295	L222-I261 HydrophobicContact CD1-CD1 4.22Å; L222-I261 HydrophobicContact CD1-CG1 3.44Å; L222-I261 VanDerWaalsContact CD1-CG1 3.44Å; A257-I261 WeakPolarHBondContact O-CB 2.98Å; A257-I261 VanDerWaalsContact O-CD1 3.25Å; A257-I261 WeakPolarHBondContact O-CD1 3.45Å; A257-I261 WeakPolarHBondContact O-CG1 3.36Å; A257-I261 PolarHBondContact O-N 3.34Å; K258-I261 PolarHBondContact O-N 3.3Å; I261-T263 PolarHBondContact O-N 2.9Å; I261-T263 VanDerWaalsContact O-N 3.1Å; I261-G264 PolarHBondContact O-N 2.67Å; I261-Y269 HydrophobicContact CD1-CD1 4.02Å; I261-V288 HydrophobicContact CD1-CG1 3.69Å; I261-V291 HydrophobicContact CB-CG1 4.07Å; I261-V291 HydrophobicContact CG2-CB 4.49Å; I261-V291 HydrophobicContact CG2-CG1 3.82Å; I261-T292 HydrophobicContact CD1-CG2 3.81Å; I261-T292 HydrophobicContact CG2-CG2 4.09Å; I261-N295 HydrophobicContact CG2-CB 4.17Å
262	S	96.7	Very high	96.5	Very high	67 Å²	67	40.1 Å²	40.1	47%	0.469	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-11.2	179	-59.9	0	0	0	0	114.1	K258 E259 I260 G264 V291	K258-S262 VanDerWaalsContact O-CB 3.29Å; K258-S262 WeakPolarHBondContact O-CB 3.22Å; K258-S262 PolarHBondContact O-N 2.92Å; K258-S262 PolarHBondContact O-OG 3.15Å; E259-S262 PolarHBondContact O-N 2.91Å; I260-S262 VanDerWaalsContact C-N 3.27Å; I260-S262 PolarHBondContact O-N 3.06Å; S262-G264 PolarHBondContact O-N 3.01Å; S262-V291 WeakPolarHBondContact OG-CG1 3.41Å
263	T	95.5	Very high	96.9	Very high	73 Å²	73	38.2 Å²	38.2	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.7	170.1	67.2	0	0	0	0	112.8	I260 I261 Q265 F266	I260-T263 WeakPolarHBondContact O-CB 3.31Å; I260-T263 VanDerWaalsContact O-CG2 3.27Å; I260-T263 WeakPolarHBondContact O-CG2 3.33Å; I260-T263 PolarHBondContact O-N 3.08Å; I260-T263 PolarHBondContact O-OG1 3.39Å; I261-T263 PolarHBondContact O-N 2.9Å; I261-T263 VanDerWaalsContact O-N 3.1Å; T263-Q265 PolarHBondContact O-N 2.99Å; T263-F266 WeakPolarHBondContact OG1-CE2 3.16Å
264	G	94.6	Very high	97	Very high	21 Å²	21	34.9 Å²	34.9	22%	0.216	19%	0.187	C	C	.	.	S	Bend	trans	70.6	13.5	-179.8	0	0	0	0	0	114.8	R218 I261 S262	R218-G264 PolarHBondContact NE-O 3.39Å; R218-G264 PolarHBondContact NH1-O 2.65Å; R218-G264 PolarHBondContact NH2-O 3.07Å; I261-G264 PolarHBondContact O-N 2.67Å; S262-G264 PolarHBondContact O-N 3.01Å
265	Q	96.6	Very high	97.2	Very high	98 Å²	98	34.2 Å²	34.2	46%	0.458	18%	0.183	S	C	.	.			trans	-96.9	-10.4	-172.8	-62.5	-178.4	-13.4	0	0	114.6	T263	T263-Q265 PolarHBondContact O-N 2.99Å
266	F	98.4	Very high	97.3	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.013	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	142.7	-172.3	-63.3	-86.7	0	0	0	112.2	R218 R220 L222 V247 I260 T263 T297	R218-F266 WeakPolarHBondContact CD-O 3.4Å; R218-F266 PolarHBondContact NH1-O 3.27Å; R220-F266 HydrophobicContact CB-CD1 3.61Å; R220-F266 HydrophobicContact CB-CE1 3.73Å; R220-F266 HydrophobicContact CB-CG 4.36Å; R220-F266 CarbonylContact O-C 3.19Å; R220-F266 WeakPolarHBondContact O-CA 3.44Å; L222-F266 HydrophobicContact CD1-CB 4.28Å; L222-F266 HydrophobicContact CD1-CD1 4.23Å; L222-F266 HydrophobicContact CD1-CD2 4.25Å; L222-F266 HydrophobicContact CD1-CG 3.98Å; L222-F266 HydrophobicContact CD2-CD1 3.79Å; L222-F266 HydrophobicContact CD2-CE1 3.58Å; L222-F266 HydrophobicContact CD2-CE2 4.44Å; L222-F266 HydrophobicContact CD2-CG 4.29Å; L222-F266 HydrophobicContact CD2-CZ 3.94Å; L222-F266 HydrophobicContact CG-CB 4.29Å; L222-F266 HydrophobicContact CG-CD1 3.53Å; L222-F266 HydrophobicContact CG-CD2 4.39Å; L222-F266 HydrophobicContact CG-CE1 3.9Å; L222-F266 HydrophobicContact CG-CG 3.8Å; L222-F266 HydrophobicContact CG-CZ 4.48Å; V247-F266 HydrophobicContact CB-CE1 4.06Å; V247-F266 HydrophobicContact CG2-CE1 3.79Å; V247-F266 HydrophobicContact CG2-CZ 4.21Å; I260-F266 HydrophobicContact CG2-CD2 3.96Å; I260-F266 HydrophobicContact CG2-CE1 4.37Å; I260-F266 HydrophobicContact CG2-CE2 3.22Å; I260-F266 HydrophobicContact CG2-CZ 3.46Å; I260-F266 VanDerWaalsContact CG2-CZ 3.46Å; I260-F266 WeakPolarHBondContact O-CE2 3.43Å; T263-F266 WeakPolarHBondContact OG1-CE2 3.16Å; F266-T297 HydrophobicContact CB-CG2 4.15Å; F266-T297 PolarHBondContact O-OG1 3.22Å
267	S	98.4	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-38.1	176.7	51.3	0	0	0	0	112.4	V213 T216 R218 R220 F221 L298	V213-S267 WeakPolarHBondContact CG2-OG 3.34Å; T216-S267 VanDerWaalsContact OG1-CA 3.29Å; T216-S267 WeakPolarHBondContact OG1-CA 3.48Å; T216-S267 WeakPolarHBondContact OG1-CB 3.39Å; R218-S267 WeakPolarHBondContact O-CB 3.44Å; R220-S267 PolarHBondContact O-N 2.76Å; R220-S267 PolarHBondContact O-OG 3.47Å; F221-S267 WeakPolarHBondContact CD2-OG 3.33Å; S267-L298 PolarHBondContact O-N 2.9Å
268	G	98.6	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	171.3	176.5	0	0	0	0	0	113	F221 L222 L298	F221-G268 WeakPolarHBondContact CD2-O 3.41Å; L222-G268 PolarHBondContact N-O 3.37Å; G268-L298 CarbonylContact C-O 3.48Å; G268-L298 WeakPolarHBondContact CA-O 3.38Å
269	Y	98.7	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	112.7	172	-177.7	-164.2	0	0	0	109.6	L222 D224 I249 I251 A257 I261 L271 V288 L298 L299 I300	L222-Y269 HydrophobicContact CB-CD2 3.48Å; L222-Y269 VanDerWaalsContact CB-CD2 3.48Å; L222-Y269 HydrophobicContact CB-CE2 4.28Å; L222-Y269 HydrophobicContact CB-CG 3.78Å; L222-Y269 HydrophobicContact CD1-CG 4.32Å; L222-Y269 WeakPolarHBondContact O-CA 3.36Å; D224-Y269 HydrophobicContact CB-CE2 3.98Å; D224-Y269 PolarHBondContact OD2-OH 2.81Å; I249-Y269 HydrophobicContact CD1-CD1 4.43Å; I249-Y269 HydrophobicContact CD1-CD2 4.34Å; I249-Y269 HydrophobicContact CD1-CE1 3.84Å; I249-Y269 HydrophobicContact CD1-CE2 3.78Å; I249-Y269 HydrophobicContact CG1-CE2 3.74Å; I251-Y269 HydrophobicContact CD1-CE1 4.45Å; I251-Y269 PolarHBondContact N-OH 2.68Å; A257-Y269 HydrophobicContact CB-CE1 4.43Å; I261-Y269 HydrophobicContact CD1-CD1 4.02Å; Y269-L271 HydrophobicContact CE1-CD2 4.41Å; Y269-L271 HydrophobicContact CE2-CB 4.44Å; Y269-V288 HydrophobicContact CD1-CG1 3.69Å; Y269-V288 HydrophobicContact CE1-CG1 3.85Å; Y269-L298 PolarHBondContact N-O 3.04Å; Y269-L299 HydrophobicContact CD1-CD1 4.45Å; Y269-I300 PolarHBondContact O-N 3Å
270	L	98.8	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.3	172.3	175	62.9	0	0	0	110.6	F221 L222 L223 D224 T231 V235 I300 A302	F221-L270 HydrophobicContact CE1-CB 3.68Å; F221-L270 HydrophobicContact CZ-CB 3.75Å; L222-L270 PolarHBondContact O-N 2.78Å; L223-L270 HydrophobicContact CD1-CB 4.01Å; L223-L270 HydrophobicContact CD1-CD2 3.66Å; L223-L270 HydrophobicContact CD1-CG 3.96Å; D224-L270 WeakPolarHBondContact CB-O 3.38Å; D224-L270 PolarHBondContact N-O 3.04Å; T231-L270 HydrophobicContact CG2-CD2 4.45Å; V235-L270 HydrophobicContact CG2-CD2 4.01Å; L270-I300 WeakPolarHBondContact CA-O 3.46Å; L270-I300 HydrophobicContact CB-CB 4.44Å; L270-I300 HydrophobicContact CD1-CB 4.08Å; L270-I300 HydrophobicContact CD1-CG2 3.58Å; L270-A302 HydrophobicContact CD1-CB 4.17Å
271	L	98.6	Very high	97.6	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	172.9	170.8	61	77.4	0	0	0	111.1	D224 I251 Y269 I285 L299 I300 T301 A302	D224-L271 HydrophobicContact CB-CB 4.01Å; I251-L271 HydrophobicContact CD1-CD2 4.3Å; Y269-L271 HydrophobicContact CE1-CD2 4.41Å; Y269-L271 HydrophobicContact CE2-CB 4.44Å; L271-I285 HydrophobicContact CD1-CD1 3.81Å; L271-I285 HydrophobicContact CD1-CG1 4.09Å; L271-I285 HydrophobicContact CD2-CG1 3.9Å; L271-I285 HydrophobicContact CD2-CG2 4.35Å; L271-L299 HydrophobicContact CD2-CD1 3.78Å; L271-L299 HydrophobicContact CG-CD1 4.32Å; L271-I300 PolarHBondContact N-O 3.19Å; L271-T301 HydrophobicContact CD1-CG2 3.92Å; L271-A302 PolarHBondContact O-N 2.88Å
272	Q	98.7	Very high	97.6	Very high	13 Å²	13	18 Å²	18	6%	0.061	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.6	-179.8	-160.9	-179.1	-56.4	0	0	112.7	C227 H228 P274 A302	C227-Q272 HydrophobicContact CB-CB 4.46Å; H228-Q272 PolarHBondContact CD2-NE2 3.44Å; H228-Q272 PolarHBondContact CD2-OE1 3.4Å; H228-Q272 PolarHBondContact CE1-NE2 3.34Å; H228-Q272 PolarHBondContact ND1-NE2 2.97Å; H228-Q272 PolarHBondContact NE2-NE2 3.23Å; Q272-P274 WeakPolarHBondContact CG-O 3.39Å; Q272-P274 PolarHBondContact NE2-O 2.62Å; Q272-A302 CarbonylContact C-O 3.26Å; Q272-A302 VanDerWaalsContact CA-O 3.27Å; Q272-A302 WeakPolarHBondContact CA-O 3.45Å; Q272-A302 HydrophobicContact CB-CB 4.35Å; Q272-A302 HydrophobicContact CG-CB 3.95Å; Q272-A302 WeakPolarHBondContact CG-O 3.44Å
273	Y	98.5	Very high	97.5	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	108.8	-171.5	175.7	-109.4	0	0	0	112.2	I280 D282 I285 T301 A302 T303 L308 I311 E312 L317 L523	Y273-I280 HydrophobicContact CD2-CG2 4.05Å; Y273-I280 HydrophobicContact CE2-CG2 3.39Å; Y273-D282 HydrophobicContact CE2-CB 4.42Å; Y273-I285 HydrophobicContact CD2-CD1 3.69Å; Y273-I285 HydrophobicContact CE2-CD1 4.4Å; Y273-I285 HydrophobicContact CG-CD1 4.2Å; Y273-T301 VanDerWaalsContact CB-CG2 3.46Å; Y273-T301 HydrophobicContact CD1-CG2 4.27Å; Y273-T301 HydrophobicContact CG-CG2 4.24Å; Y273-A302 PolarHBondContact N-O 3.38Å; Y273-T303 WeakPolarHBondContact O-CA 3.43Å; Y273-T303 WeakPolarHBondContact O-CB 3.38Å; Y273-T303 PolarHBondContact O-OG1 2.67Å; Y273-L308 HydrophobicContact CD1-CD2 4.01Å; Y273-L308 HydrophobicContact CE1-CD2 3.6Å; Y273-I311 HydrophobicContact CD1-CD1 4.28Å; Y273-I311 HydrophobicContact CE1-CD1 3.56Å; Y273-I311 HydrophobicContact CE1-CG1 3.82Å; Y273-I311 HydrophobicContact CE2-CD1 4.04Å; Y273-I311 VanDerWaalsContact CZ-CD1 3.41Å; Y273-I311 WeakPolarHBondContact OH-CB 3.29Å; Y273-I311 WeakPolarHBondContact OH-CD1 3.37Å; Y273-I311 VanDerWaalsContact OH-CG1 3.31Å; Y273-I311 WeakPolarHBondContact OH-CG1 3.34Å; Y273-E312 WeakPolarHBondContact CE1-O 3.36Å; Y273-E312 PolarHBondContact OH-O 3.32Å; Y273-L317 HydrophobicContact CD1-CD1 4.32Å; Y273-L317 HydrophobicContact CD2-CD1 4.18Å; Y273-L317 HydrophobicContact CE1-CD1 3.91Å; Y273-L317 HydrophobicContact CE2-CD1 3.73Å; Y273-L317 HydrophobicContact CG-CD1 4.44Å; Y273-L523 HydrophobicContact CE2-CD1 4.37Å; Y273-L523 WeakPolarHBondContact OH-CD1 3.36Å
274	P	98.5	Very high	97.5	Very high	12 Å²	12	18.4 Å²	18.4	8%	0.078	10%	0.097	C	C	.	.	S	Bend	cis	-57	153.8	-14.2	-19.8	32.3	0	0	0	112.5	Q272 N279 I280 A307 I311 F445	Q272-P274 WeakPolarHBondContact CG-O 3.39Å; Q272-P274 PolarHBondContact NE2-O 2.62Å; P274-N279 WeakPolarHBondContact CA-O 3.32Å; P274-I280 HydrophobicContact CB-CG1 3.96Å; P274-I280 HydrophobicContact CG-CD1 4.29Å; P274-I280 HydrophobicContact CG-CG1 3.99Å; P274-A307 HydrophobicContact CG-CB 4.06Å; P274-I311 HydrophobicContact CG-CD1 4.33Å; P274-F445 HydrophobicContact CG-CB 4.04Å
275	D	98.4	Very high	97.6	Very high	6 Å²	6	17.5 Å²	17.5	3%	0.032	9%	0.087	C	C	.	.			trans	-70.6	171.4	179.8	78.3	14.5	0	0	0	112.9	R226 E277 G278 N279 W281	R226-D275 HydrophobicContact CB-CB 3.88Å; R226-D275 WeakPolarHBondContact CD-OD2 3.22Å; R226-D275 IonicContact NH1-OD2 3.6Å; D275-E277 PolarHBondContact O-N 3.14Å; D275-E277 VanDerWaalsContact O-N 3.07Å; D275-E277 WeakPolarHBondContact OD1-CA 3.24Å; D275-E277 PolarHBondContact OD1-N 2.99Å; D275-G278 WeakPolarHBondContact O-CA 3.29Å; D275-G278 PolarHBondContact O-N 3.48Å; D275-G278 PolarHBondContact OD1-N 2.83Å; D275-N279 PolarHBondContact N-O 3.2Å; D275-N279 PolarHBondContact OD1-N 2.63Å; D275-N279 PolarHBondContact OD1-ND2 3.12Å; D275-N279 WeakPolarHBondContact OD2-CB 3.24Å; D275-N279 PolarHBondContact OD2-ND2 3.05Å; D275-W281 PolarHBondContact OD2-NE1 2.81Å
276	T	97.7	Very high	97.6	Very high	19 Å²	19	16.5 Å²	16.5	12%	0.117	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16	-177.6	-165.9	0	0	0	0	114.5	R226 H228	R226-T276 VanDerWaalsContact O-CB 3.31Å; R226-T276 WeakPolarHBondContact O-CB 3.43Å; R226-T276 VanDerWaalsContact O-CG2 3.27Å; R226-T276 WeakPolarHBondContact O-CG2 3.43Å; R226-T276 PolarHBondContact O-N 3.27Å; H228-T276 VanDerWaalsContact ND1-CB 3.34Å; H228-T276 WeakPolarHBondContact ND1-CB 3.14Å; H228-T276 PolarHBondContact ND1-OG1 2.87Å
277	E	97.2	Very high	97.5	Very high	43 Å²	43	17.4 Å²	17.4	20%	0.201	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-5.8	175.6	-55.6	-166	146.8	0	0	111.9	D275 N440 K449 Y476	D275-E277 PolarHBondContact O-N 3.14Å; D275-E277 VanDerWaalsContact O-N 3.07Å; D275-E277 WeakPolarHBondContact OD1-CA 3.24Å; D275-E277 PolarHBondContact OD1-N 2.99Å; E277-N440 PolarHBondContact O-ND2 3.27Å; E277-K449 HydrophobicContact CB-CD 4.48Å; E277-K449 HydrophobicContact CG-CD 4.42Å; E277-K449 IonicContact OE1-NZ 3.57Å; E277-K449 PolarHBondContact OE1-NZ 3.5Å; E277-K449 IonicContact OE2-NZ 3.98Å; E277-Y476 HydrophobicContact CG-CE1 4.19Å
278	G	98	Very high	97.5	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.01	9%	0.087	C	C	.	.	S	Bend	trans	97.9	-0.2	176.9	0	0	0	0	0	115.5	D275 V444	D275-G278 WeakPolarHBondContact O-CA 3.29Å; D275-G278 PolarHBondContact O-N 3.48Å; D275-G278 PolarHBondContact OD1-N 2.83Å; G278-V444 WeakPolarHBondContact O-CA 3.24Å; G278-V444 WeakPolarHBondContact O-CG1 3.4Å
279	N	98.1	Very high	97.4	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.011	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-74.4	148.4	-179.8	-53.9	-80.4	0	0	0	111.4	P274 D275 W281 N440 Q441	P274-N279 WeakPolarHBondContact CA-O 3.32Å; D275-N279 PolarHBondContact N-O 3.2Å; D275-N279 PolarHBondContact OD1-N 2.63Å; D275-N279 PolarHBondContact OD1-ND2 3.12Å; D275-N279 WeakPolarHBondContact OD2-CB 3.24Å; D275-N279 PolarHBondContact OD2-ND2 3.05Å; N279-W281 HydrophobicContact CB-CD2 4.4Å; N279-W281 HydrophobicContact CB-CZ2 3.83Å; N279-W281 VanDerWaalsContact CB-NE1 3.25Å; N279-N440 WeakPolarHBondContact OD1-CA 3.35Å; N279-N440 WeakPolarHBondContact OD1-CB 3.34Å; N279-N440 PolarHBondContact OD1-ND2 2.99Å; N279-Q441 PolarHBondContact OD1-N 3.32Å
280	I	98.1	Very high	97.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.			trans	-113.9	111.5	176.4	-57.1	178.4	0	0	0	108.5	Y273 P274 I311 T442 A443 F445 I517 L523	Y273-I280 HydrophobicContact CD2-CG2 4.05Å; Y273-I280 HydrophobicContact CE2-CG2 3.39Å; P274-I280 HydrophobicContact CB-CG1 3.96Å; P274-I280 HydrophobicContact CG-CD1 4.29Å; P274-I280 HydrophobicContact CG-CG1 3.99Å; I280-I311 HydrophobicContact CD1-CD1 4.22Å; I280-I311 HydrophobicContact CD1-CG2 4.17Å; I280-I311 HydrophobicContact CG2-CD1 4.43Å; I280-T442 PolarHBondContact N-OG1 3.21Å; I280-T442 VanDerWaalsContact O-CB 3.27Å; I280-T442 WeakPolarHBondContact O-CB 3.23Å; I280-T442 PolarHBondContact O-OG1 3.16Å; I280-A443 HydrophobicContact CB-CB 4.48Å; I280-A443 WeakPolarHBondContact CB-O 3.42Å; I280-A443 HydrophobicContact CD1-CB 4.32Å; I280-A443 VanDerWaalsContact CG1-O 3.3Å; I280-A443 WeakPolarHBondContact CG1-O 3.29Å; I280-A443 PolarHBondContact N-O 3.2Å; I280-F445 HydrophobicContact CD1-CB 4.34Å; I280-I517 HydrophobicContact CD1-CG1 4.3Å; I280-L523 HydrophobicContact CB-CD2 4.27Å; I280-L523 HydrophobicContact CD1-CD2 4.26Å; I280-L523 HydrophobicContact CG2-CD1 3.32Å; I280-L523 HydrophobicContact CG2-CD2 3.76Å; I280-L523 HydrophobicContact CG2-CG 4.17Å
281	W	96.2	Very high	97.2	Very high	9 Å²	9	25.2 Å²	25.2	3%	0.034	13%	0.127	C	C	.	.			trans	-105.5	37.7	-169.9	-64.4	109	0	0	0	113.4	I251 D275 N279 D283 K284 I285 Q441 T442	I251-W281 HydrophobicContact CG1-CB 4.32Å; I251-W281 HydrophobicContact CG2-CB 4.35Å; I251-W281 HydrophobicContact CG2-CG 3.95Å; D275-W281 PolarHBondContact OD2-NE1 2.81Å; N279-W281 HydrophobicContact CB-CD2 4.4Å; N279-W281 HydrophobicContact CB-CZ2 3.83Å; N279-W281 VanDerWaalsContact CB-NE1 3.25Å; W281-D283 PolarHBondContact O-N 3.42Å; W281-K284 HydrophobicContact CB-CB 4.27Å; W281-K284 HydrophobicContact CD2-CD 4.25Å; W281-K284 HydrophobicContact CE3-CD 3.45Å; W281-K284 VanDerWaalsContact CE3-CD 3.45Å; W281-K284 HydrophobicContact CE3-CG 4.14Å; W281-K284 HydrophobicContact CZ3-CD 3.86Å; W281-K284 PolarHBondContact O-N 3.38Å; W281-I285 HydrophobicContact CB-CD1 4.44Å; W281-I285 HydrophobicContact CB-CG1 4.39Å; W281-I285 VanDerWaalsContact O-CG1 3.31Å; W281-I285 WeakPolarHBondContact O-CG1 3.11Å; W281-I285 PolarHBondContact O-N 2.7Å; W281-Q441 HydrophobicContact CH2-CB 3.66Å; W281-Q441 HydrophobicContact CH2-CG 4.3Å; W281-Q441 HydrophobicContact CZ2-CB 4.28Å; W281-Q441 HydrophobicContact CZ3-CB 4.45Å; W281-T442 HydrophobicContact CD2-CG2 4.28Å; W281-T442 HydrophobicContact CE3-CG2 3.61Å; W281-T442 HydrophobicContact CH2-CG2 4Å; W281-T442 HydrophobicContact CZ3-CG2 3.46Å; W281-T442 VanDerWaalsContact CZ3-CG2 3.46Å
282	D	95.5	Very high	97.1	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.043	13%	0.127	C	C	.	.	H	α-helix	trans	-53.3	-48.3	-170.6	62.1	-55.6	0	0	0	113.8	Y273 K284 I285 R286 L317 L523	Y273-D282 HydrophobicContact CE2-CB 4.42Å; D282-K284 VanDerWaalsContact C-N 3.29Å; D282-K284 PolarHBondContact O-N 3.47Å; D282-I285 PolarHBondContact O-N 2.88Å; D282-R286 WeakPolarHBondContact O-CG 3.49Å; D282-R286 PolarHBondContact O-N 3.02Å; D282-L317 HydrophobicContact CB-CD1 4.48Å; D282-L317 HydrophobicContact CB-CD2 3.92Å; D282-L523 HydrophobicContact CB-CD1 3.83Å
283	D	94.4	Very high	97	Very high	95 Å²	95	33 Å²	33	51%	0.508	16%	0.16	S	C	.	.	H	α-helix	trans	-60.3	-38.9	177.7	-75	-27.9	0	0	0	112.4	W281 A287	W281-D283 PolarHBondContact O-N 3.42Å; D283-A287 WeakPolarHBondContact O-CB 3.37Å; D283-A287 PolarHBondContact O-N 2.9Å; D283-A287 VanDerWaalsContact O-N 3.09Å
284	K	96.1	Very high	96.8	Very high	54 Å²	54	37.9 Å²	37.9	24%	0.235	20%	0.195	C	C	.	.	H	α-helix	trans	-72.7	-38.1	178.7	-62.3	-167.1	176.1	-174.6	0	111.5	I251 D252 V254 W281 D282 A287 V288	I251-K284 HydrophobicContact CD1-CB 4.21Å; I251-K284 HydrophobicContact CG1-CB 4.01Å; I251-K284 VanDerWaalsContact O-CD 3.24Å; I251-K284 WeakPolarHBondContact O-CD 2.88Å; D252-K284 PolarHBondContact O-NZ 2.92Å; V254-K284 HydrophobicContact CG2-CB 3.53Å; V254-K284 HydrophobicContact CG2-CD 3.51Å; V254-K284 HydrophobicContact CG2-CG 3.52Å; W281-K284 HydrophobicContact CB-CB 4.27Å; W281-K284 HydrophobicContact CD2-CD 4.25Å; W281-K284 HydrophobicContact CE3-CD 3.45Å; W281-K284 VanDerWaalsContact CE3-CD 3.45Å; W281-K284 HydrophobicContact CE3-CG 4.14Å; W281-K284 HydrophobicContact CZ3-CD 3.86Å; W281-K284 PolarHBondContact O-N 3.38Å; D282-K284 VanDerWaalsContact C-N 3.29Å; D282-K284 PolarHBondContact O-N 3.47Å; K284-A287 PolarHBondContact O-N 2.77Å; K284-V288 WeakPolarHBondContact O-CG2 3.27Å; K284-V288 PolarHBondContact O-N 2.89Å
285	I	97.3	Very high	96.7	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-46.8	174.8	-66.1	168.7	0	0	0	109.6	I251 L271 Y273 W281 D282 A287 V288 A289 L299 L317	I251-I285 HydrophobicContact CG1-CG1 4.41Å; L271-I285 HydrophobicContact CD1-CD1 3.81Å; L271-I285 HydrophobicContact CD1-CG1 4.09Å; L271-I285 HydrophobicContact CD2-CG1 3.9Å; L271-I285 HydrophobicContact CD2-CG2 4.35Å; Y273-I285 HydrophobicContact CD2-CD1 3.69Å; Y273-I285 HydrophobicContact CE2-CD1 4.4Å; Y273-I285 HydrophobicContact CG-CD1 4.2Å; W281-I285 HydrophobicContact CB-CD1 4.44Å; W281-I285 HydrophobicContact CB-CG1 4.39Å; W281-I285 VanDerWaalsContact O-CG1 3.31Å; W281-I285 WeakPolarHBondContact O-CG1 3.11Å; W281-I285 PolarHBondContact O-N 2.7Å; D282-I285 PolarHBondContact O-N 2.88Å; I285-A287 VanDerWaalsContact C-N 3.32Å; I285-A287 PolarHBondContact O-N 2.68Å; I285-V288 PolarHBondContact O-N 3.33Å; I285-V288 VanDerWaalsContact O-N 3.14Å; I285-A289 WeakPolarHBondContact O-CB 3.48Å; I285-A289 PolarHBondContact O-N 2.69Å; I285-L299 HydrophobicContact CG2-CD2 4.16Å; I285-L317 HydrophobicContact CB-CD1 4.46Å; I285-L317 HydrophobicContact CD1-CD1 4.21Å; I285-L317 HydrophobicContact CG2-CB 3.87Å; I285-L317 HydrophobicContact CG2-CD1 4.14Å
286	R	96.5	Very high	96.6	Very high	76 Å²	76	46.3 Å²	46.3	29%	0.287	23%	0.232	S	C	.	.	H	α-helix	trans	-56.7	-45.6	175	-70.5	178.5	-169.9	-70.4	-2.7	111.8	D282 V288 A289 E290 S316 L317	D282-R286 WeakPolarHBondContact O-CG 3.49Å; D282-R286 PolarHBondContact O-N 3.02Å; R286-V288 VanDerWaalsContact C-N 3.3Å; R286-V288 PolarHBondContact O-N 2.82Å; R286-A289 WeakPolarHBondContact O-CB 3.24Å; R286-A289 PolarHBondContact O-N 3.12Å; R286-E290 PolarHBondContact O-N 2.98Å; R286-S316 PolarHBondContact NH1-O 2.87Å; R286-L317 HydrophobicContact CG-CD2 4.01Å; R286-L317 VanDerWaalsContact CZ-CD2 3.49Å
287	A	96.1	Very high	96.6	Very high	22 Å²	22	45.5 Å²	45.5	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-34.2	178.6	0	0	0	0	0	113.1	V254 K258 D283 K284 I285	V254-A287 HydrophobicContact CG1-CB 4Å; K258-A287 WeakPolarHBondContact CE-O 3.4Å; D283-A287 WeakPolarHBondContact O-CB 3.37Å; D283-A287 PolarHBondContact O-N 2.9Å; D283-A287 VanDerWaalsContact O-N 3.09Å; K284-A287 PolarHBondContact O-N 2.77Å; I285-A287 VanDerWaalsContact C-N 3.32Å; I285-A287 PolarHBondContact O-N 2.68Å
288	V	97.3	Very high	96.7	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-75.1	-39.1	173.8	167.8	0	0	0	0	111.3	I251 V254 A257 I261 Y269 K284 I285 R286 E290 V291 T292 L299	I251-V288 HydrophobicContact CD1-CB 4.33Å; I251-V288 HydrophobicContact CD1-CG2 3.6Å; V254-V288 HydrophobicContact CG1-CG2 4.18Å; A257-V288 HydrophobicContact CB-CG2 4.12Å; I261-V288 HydrophobicContact CD1-CG1 3.69Å; Y269-V288 HydrophobicContact CD1-CG1 3.69Å; Y269-V288 HydrophobicContact CE1-CG1 3.85Å; K284-V288 WeakPolarHBondContact O-CG2 3.27Å; K284-V288 PolarHBondContact O-N 2.89Å; I285-V288 PolarHBondContact O-N 3.33Å; I285-V288 VanDerWaalsContact O-N 3.14Å; R286-V288 VanDerWaalsContact C-N 3.3Å; R286-V288 PolarHBondContact O-N 2.82Å; V288-E290 VanDerWaalsContact C-N 3.28Å; V288-E290 PolarHBondContact O-N 3.12Å; V288-V291 PolarHBondContact O-N 3.18Å; V288-T292 HydrophobicContact CG1-CG2 3.83Å; V288-T292 WeakPolarHBondContact O-CG2 3.32Å; V288-T292 PolarHBondContact O-N 2.83Å; V288-T292 PolarHBondContact O-OG1 3.18Å; V288-L299 HydrophobicContact CG1-CD1 4.38Å
289	A	97.4	Very high	96.7	Very high	10 Å²	10	43.9 Å²	43.9	8%	0.083	22%	0.219	C	C	.	.	H	α-helix	trans	-57.9	-37.7	180	0	0	0	0	0	113	I285 R286 V291 T292 K293 L299 L317	I285-A289 WeakPolarHBondContact O-CB 3.48Å; I285-A289 PolarHBondContact O-N 2.69Å; R286-A289 WeakPolarHBondContact O-CB 3.24Å; R286-A289 PolarHBondContact O-N 3.12Å; A289-V291 VanDerWaalsContact C-N 3.3Å; A289-V291 PolarHBondContact O-N 3.2Å; A289-T292 VanDerWaalsContact CA-OG1 3.3Å; A289-T292 WeakPolarHBondContact CA-OG1 3.4Å; A289-T292 PolarHBondContact O-OG1 2.66Å; A289-K293 VanDerWaalsContact O-CB 3.29Å; A289-K293 WeakPolarHBondContact O-CB 3.34Å; A289-K293 PolarHBondContact O-N 3.4Å; A289-K293 VanDerWaalsContact O-N 3.08Å; A289-L299 HydrophobicContact CB-CD2 3.62Å; A289-L317 VanDerWaalsContact CB-O 3.24Å; A289-L317 WeakPolarHBondContact CB-O 3.5Å
290	E	95.8	Very high	96.8	Very high	132 Å²	132	43.8 Å²	43.8	62%	0.617	22%	0.218	S	C	*	.	H	α-helix	trans	-58.7	-41.5	174	-70.1	174.7	172.7	0	0	112.2	R286 V288 S294	R286-E290 PolarHBondContact O-N 2.98Å; V288-E290 VanDerWaalsContact C-N 3.28Å; V288-E290 PolarHBondContact O-N 3.12Å; E290-S294 PolarHBondContact O-N 3.34Å; E290-S294 PolarHBondContact O-OG 3.36Å; E290-S294 VanDerWaalsContact O-OG 3.13Å
291	V	96.6	Very high	96.8	Very high	23 Å²	23	43.8 Å²	43.8	14%	0.139	22%	0.218	C	C	.	.	H	α-helix	trans	-81.9	-37.1	-176.8	-176.4	0	0	0	0	111.5	K258 I261 S262 V288 A289 K293 S294 N295	K258-V291 HydrophobicContact CB-CG2 4.32Å; K258-V291 HydrophobicContact CD-CG2 4.11Å; K258-V291 HydrophobicContact CG-CB 4.43Å; K258-V291 HydrophobicContact CG-CG2 3.8Å; I261-V291 HydrophobicContact CB-CG1 4.07Å; I261-V291 HydrophobicContact CG2-CB 4.49Å; I261-V291 HydrophobicContact CG2-CG1 3.82Å; S262-V291 WeakPolarHBondContact OG-CG1 3.41Å; V288-V291 PolarHBondContact O-N 3.18Å; A289-V291 VanDerWaalsContact C-N 3.3Å; A289-V291 PolarHBondContact O-N 3.2Å; V291-K293 VanDerWaalsContact C-N 3.34Å; V291-K293 PolarHBondContact O-N 2.89Å; V291-S294 PolarHBondContact O-N 3.02Å; V291-N295 WeakPolarHBondContact O-CB 3.45Å; V291-N295 PolarHBondContact O-N 3.2Å; V291-N295 VanDerWaalsContact O-N 3.13Å; V291-N295 PolarHBondContact O-ND2 2.87Å
292	T	97.6	Very high	96.9	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-45.1	174.7	55.8	0	0	0	0	110.9	I261 V288 A289 N295 K296 T297 L299	I261-T292 HydrophobicContact CD1-CG2 3.81Å; I261-T292 HydrophobicContact CG2-CG2 4.09Å; V288-T292 HydrophobicContact CG1-CG2 3.83Å; V288-T292 WeakPolarHBondContact O-CG2 3.32Å; V288-T292 PolarHBondContact O-N 2.83Å; V288-T292 PolarHBondContact O-OG1 3.18Å; A289-T292 VanDerWaalsContact CA-OG1 3.3Å; A289-T292 WeakPolarHBondContact CA-OG1 3.4Å; A289-T292 PolarHBondContact O-OG1 2.66Å; T292-N295 CarbonylContact O-C 3.5Å; T292-N295 PolarHBondContact O-N 3.1Å; T292-K296 PolarHBondContact O-N 3.36Å; T292-T297 CarbonylContact C-O 3.49Å; T292-T297 VanDerWaalsContact CB-O 3.31Å; T292-T297 WeakPolarHBondContact CB-O 3.2Å; T292-T297 HydrophobicContact CG2-CG2 4.35Å; T292-T297 PolarHBondContact O-N 3.28Å; T292-L299 HydrophobicContact CG2-CB 4.49Å; T292-L299 HydrophobicContact CG2-CD1 4.5Å
293	K	95.3	Very high	97.1	Very high	176 Å²	176	43.4 Å²	43.4	77%	0.765	22%	0.217	S	C	*	.	H	α-helix	trans	-58.5	-50.2	176.6	-174.6	173.5	-177.7	174.1	0	112	A289 V291 N295 K296	A289-K293 VanDerWaalsContact O-CB 3.29Å; A289-K293 WeakPolarHBondContact O-CB 3.34Å; A289-K293 PolarHBondContact O-N 3.4Å; A289-K293 VanDerWaalsContact O-N 3.08Å; V291-K293 VanDerWaalsContact C-N 3.34Å; V291-K293 PolarHBondContact O-N 2.89Å; K293-N295 PolarHBondContact O-N 3.13Å; K293-K296 PolarHBondContact O-N 3.41Å
294	S	95.4	Very high	97.3	Very high	104 Å²	104	39.7 Å²	39.7	73%	0.727	20%	0.197	S	C	*	.	H	α-helix	trans	-61.6	-26.8	178.7	-66.2	0	0	0	0	113.4	E290 V291	E290-S294 PolarHBondContact O-N 3.34Å; E290-S294 PolarHBondContact O-OG 3.36Å; E290-S294 VanDerWaalsContact O-OG 3.13Å; V291-S294 PolarHBondContact O-N 3.02Å
295	N	96.7	Very high	97.4	Very high	35 Å²	35	37.1 Å²	37.1	19%	0.187	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	7.3	-177.7	-71.4	-78.7	0	0	0	114.4	R218 I261 V291 T292 K293 T297	R218-N295 PolarHBondContact NH1-O 3.45Å; R218-N295 PolarHBondContact NH2-O 3Å; I261-N295 HydrophobicContact CG2-CB 4.17Å; V291-N295 WeakPolarHBondContact O-CB 3.45Å; V291-N295 PolarHBondContact O-N 3.2Å; V291-N295 VanDerWaalsContact O-N 3.13Å; V291-N295 PolarHBondContact O-ND2 2.87Å; T292-N295 CarbonylContact O-C 3.5Å; T292-N295 PolarHBondContact O-N 3.1Å; K293-N295 PolarHBondContact O-N 3.13Å; N295-T297 PolarHBondContact O-N 3.41Å
296	K	95.6	Very high	97.5	Very high	161 Å²	161	37.1 Å²	37.1	70%	0.7	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	34.6	-176.1	-53.4	-179	-179.6	-179.3	0	113.1	R218 T292 K293	R218-K296 PolarHBondContact NH1-O 2.86Å; T292-K296 PolarHBondContact O-N 3.36Å; K293-K296 PolarHBondContact O-N 3.41Å
297	T	98.2	Very high	97.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.012	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-94.2	130.3	171	-59.3	0	0	0	0	106.8	F266 T292 N295	F266-T297 HydrophobicContact CB-CG2 4.15Å; F266-T297 PolarHBondContact O-OG1 3.22Å; T292-T297 CarbonylContact C-O 3.49Å; T292-T297 VanDerWaalsContact CB-O 3.31Å; T292-T297 WeakPolarHBondContact CB-O 3.2Å; T292-T297 HydrophobicContact CG2-CG2 4.35Å; T292-T297 PolarHBondContact O-N 3.28Å; N295-T297 PolarHBondContact O-N 3.41Å
298	L	98.5	Very high	97.7	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.052	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	130.5	179	-60.1	-171.1	0	0	0	111.2	L211 A212 Y215 S267 G268 Y269 D320 I321 L349	L211-L298 HydrophobicContact CD2-CD1 4.3Å; A212-L298 HydrophobicContact CB-CB 4.25Å; A212-L298 HydrophobicContact CB-CD1 3.93Å; A212-L298 HydrophobicContact CB-CG 4.37Å; Y215-L298 HydrophobicContact CD1-CD1 4.01Å; Y215-L298 HydrophobicContact CD1-CD2 4Å; Y215-L298 HydrophobicContact CD1-CG 4.23Å; Y215-L298 HydrophobicContact CE1-CD2 4.08Å; Y215-L298 HydrophobicContact CG-CD1 4.38Å; S267-L298 PolarHBondContact O-N 2.9Å; G268-L298 CarbonylContact C-O 3.48Å; G268-L298 WeakPolarHBondContact CA-O 3.38Å; Y269-L298 PolarHBondContact N-O 3.04Å; L298-D320 VanDerWaalsContact CA-OD2 3.3Å; L298-D320 WeakPolarHBondContact CA-OD2 3.23Å; L298-D320 HydrophobicContact CB-CB 4.25Å; L298-D320 HydrophobicContact CD2-CB 4.14Å; L298-I321 HydrophobicContact CD1-CD1 4.25Å; L298-L349 HydrophobicContact CD1-CD1 3.89Å; L298-L349 HydrophobicContact CD1-CD2 4.03Å
299	L	98.8	Very high	97.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.8	173.2	-177.1	62.5	0	0	0	110.1	Y269 L271 I285 V288 A289 T292 D320 I321	Y269-L299 HydrophobicContact CD1-CD1 4.45Å; L271-L299 HydrophobicContact CD2-CD1 3.78Å; L271-L299 HydrophobicContact CG-CD1 4.32Å; I285-L299 HydrophobicContact CG2-CD2 4.16Å; V288-L299 HydrophobicContact CG1-CD1 4.38Å; A289-L299 HydrophobicContact CB-CD2 3.62Å; T292-L299 HydrophobicContact CG2-CB 4.49Å; T292-L299 HydrophobicContact CG2-CD1 4.5Å; L299-D320 PolarHBondContact N-OD2 3.43Å; L299-D320 PolarHBondContact O-N 3.38Å; L299-I321 PolarHBondContact O-N 2.78Å
300	I	98.8	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.2	-176.5	-54	161.5	0	0	0	109.2	A208 A212 F221 Y269 L270 L271 I321 V323	A208-I300 HydrophobicContact CB-CD1 4.09Å; A208-I300 HydrophobicContact CB-CG2 3.73Å; A212-I300 HydrophobicContact CB-CD1 4.23Å; F221-I300 HydrophobicContact CE2-CD1 3.63Å; F221-I300 HydrophobicContact CZ-CD1 3.61Å; Y269-I300 PolarHBondContact O-N 3Å; L270-I300 WeakPolarHBondContact CA-O 3.46Å; L270-I300 HydrophobicContact CB-CB 4.44Å; L270-I300 HydrophobicContact CD1-CB 4.08Å; L270-I300 HydrophobicContact CD1-CG2 3.58Å; L271-I300 PolarHBondContact N-O 3.19Å; I300-I321 WeakPolarHBondContact CA-O 3.39Å; I300-I321 HydrophobicContact CB-CB 4.48Å; I300-I321 HydrophobicContact CD1-CD1 4.5Å; I300-I321 HydrophobicContact CG1-CB 4.09Å; I300-I321 HydrophobicContact CG1-CD1 4.15Å; I300-I321 HydrophobicContact CG1-CG1 4.46Å; I300-I321 HydrophobicContact CG2-CB 4.17Å; I300-I321 HydrophobicContact CG2-CG2 4.21Å; I300-V323 HydrophobicContact CG2-CG2 4.49Å
301	T	98.7	Very high	97.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	109.2	-177.9	-55.4	0	0	0	0	110.8	L271 Y273 P314 I321 A322 V323	L271-T301 HydrophobicContact CD1-CG2 3.92Å; Y273-T301 VanDerWaalsContact CB-CG2 3.46Å; Y273-T301 HydrophobicContact CD1-CG2 4.27Å; Y273-T301 HydrophobicContact CG-CG2 4.24Å; T301-P314 HydrophobicContact CG2-CB 4.38Å; T301-P314 HydrophobicContact CG2-CG 4.28Å; T301-I321 PolarHBondContact N-O 3.28Å; T301-A322 CarbonylContact O-C 3.58Å; T301-A322 VanDerWaalsContact O-CA 3.27Å; T301-A322 WeakPolarHBondContact O-CA 3Å; T301-V323 PolarHBondContact O-N 3.04Å
302	A	98.9	Very high	98	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	126.9	162.2	0	0	0	0	0	109.1	L270 L271 Q272 Y273 V323	L270-A302 HydrophobicContact CD1-CB 4.17Å; L271-A302 PolarHBondContact O-N 2.88Å; Q272-A302 CarbonylContact C-O 3.26Å; Q272-A302 VanDerWaalsContact CA-O 3.27Å; Q272-A302 WeakPolarHBondContact CA-O 3.45Å; Q272-A302 HydrophobicContact CB-CB 4.35Å; Q272-A302 HydrophobicContact CG-CB 3.95Å; Q272-A302 WeakPolarHBondContact CG-O 3.44Å; Y273-A302 PolarHBondContact N-O 3.38Å; A302-V323 CarbonylContact C-O 3.56Å; A302-V323 VanDerWaalsContact CA-O 3.25Å; A302-V323 WeakPolarHBondContact CA-O 3.2Å; A302-V323 HydrophobicContact CB-CG2 3.95Å
303	T	98.8	Very high	98	Very high	8 Å²	8	26.1 Å²	26.1	5%	0.049	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.8	-167.2	-170.2	0	0	0	0	113.9	Y273 L308 P314 A322 V323 F342	Y273-T303 WeakPolarHBondContact O-CA 3.43Å; Y273-T303 WeakPolarHBondContact O-CB 3.38Å; Y273-T303 PolarHBondContact O-OG1 2.67Å; T303-L308 HydrophobicContact CG2-CD1 3.79Å; T303-L308 WeakPolarHBondContact OG1-CD2 3.46Å; T303-P314 HydrophobicContact CG2-CG 4.07Å; T303-A322 HydrophobicContact CG2-CB 4.39Å; T303-V323 PolarHBondContact N-O 2.84Å; T303-F342 HydrophobicContact CG2-CE2 3.97Å; T303-F342 HydrophobicContact CG2-CZ 3.71Å
304	D	98.8	Very high	98.1	Very high	17 Å²	17	17.7 Å²	17.7	9%	0.091	10%	0.096	C	C	.	.			trans	-103.3	120.3	176.8	-177.7	-67.7	0	0	0	111.7	L306 A307 L308 R328	D304-L306 VanDerWaalsContact C-N 3.27Å; D304-L306 PolarHBondContact O-N 3.42Å; D304-L306 WeakPolarHBondContact OD1-CA 3.28Å; D304-L306 WeakPolarHBondContact OD1-CB 3.27Å; D304-L306 PolarHBondContact OD1-N 2.86Å; D304-A307 HydrophobicContact CB-CB 3.91Å; D304-A307 WeakPolarHBondContact O-CB 3.29Å; D304-A307 PolarHBondContact O-N 3.03Å; D304-A307 PolarHBondContact OD1-N 3.47Å; D304-L308 WeakPolarHBondContact O-CG 3.39Å; D304-L308 PolarHBondContact O-N 2.77Å; D304-L308 VanDerWaalsContact O-N 3.11Å; D304-R328 WeakPolarHBondContact OD1-CD 3.03Å; D304-R328 IonicContact OD1-NE 2.79Å; D304-R328 IonicContact OD1-NH1 3.55Å; D304-R328 WeakPolarHBondContact OD2-CD 3.29Å; D304-R328 IonicContact OD2-CZ 2.92Å; D304-R328 IonicContact OD2-NE 3.51Å; D304-R328 IonicContact OD2-NH1 3.87Å; D304-R328 PolarHBondContact OD2-NH1 2.63Å
305	L	98.8	Very high	98.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-32	-176.5	-64.7	179.2	0	0	0	114	M184 I185 L188 F329 F342	M184-L305 HydrophobicContact CE-CD1 4.35Å; I185-L305 HydrophobicContact CD1-CD1 3.45Å; I185-L305 VanDerWaalsContact CD1-CD1 3.45Å; I185-L305 HydrophobicContact CD1-CD2 3.75Å; I185-L305 HydrophobicContact CD1-CG 4.23Å; L188-L305 HydrophobicContact CB-CD2 4.27Å; L188-L305 HydrophobicContact CD1-CB 4.13Å; L188-L305 HydrophobicContact CD1-CD2 4.16Å; L305-F329 HydrophobicContact CB-CE1 3.85Å; L305-F329 HydrophobicContact CB-CE2 3.95Å; L305-F329 HydrophobicContact CB-CZ 3.53Å; L305-F329 HydrophobicContact CD1-CD2 4.21Å; L305-F329 HydrophobicContact CD1-CE2 4.07Å; L305-F329 HydrophobicContact CD1-CZ 4.48Å; L305-F342 HydrophobicContact CD1-CD1 4.08Å; L305-F342 HydrophobicContact CD1-CE1 3.98Å; L305-F342 HydrophobicContact CD2-CD1 4.16Å; L305-F342 HydrophobicContact CD2-CE1 3.62Å; L305-F342 HydrophobicContact CD2-CE2 4.21Å; L305-F342 HydrophobicContact CD2-CZ 3.65Å; L305-F342 HydrophobicContact CG-CD1 4.15Å; L305-F342 HydrophobicContact CG-CE1 3.56Å; L305-F342 HydrophobicContact CG-CZ 4.04Å
306	L	98.8	Very high	98.3	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-39.3	-179.8	-168.8	62.3	0	0	0	110.7	D304 L308 T309 R328 F329 I416 A417 I420 F445	D304-L306 VanDerWaalsContact C-N 3.27Å; D304-L306 PolarHBondContact O-N 3.42Å; D304-L306 WeakPolarHBondContact OD1-CA 3.28Å; D304-L306 WeakPolarHBondContact OD1-CB 3.27Å; D304-L306 PolarHBondContact OD1-N 2.86Å; L306-L308 VanDerWaalsContact C-N 3.28Å; L306-L308 PolarHBondContact O-N 2.86Å; L306-T309 WeakPolarHBondContact O-CB 3.22Å; L306-T309 WeakPolarHBondContact O-CG2 3.27Å; L306-T309 PolarHBondContact O-N 3.36Å; L306-T309 VanDerWaalsContact O-N 3.15Å; L306-T309 PolarHBondContact O-OG1 3.38Å; L306-R328 HydrophobicContact CB-CG 4.2Å; L306-F329 HydrophobicContact CB-CE1 3.93Å; L306-F329 HydrophobicContact CD1-CE1 4.03Å; L306-I416 HydrophobicContact CD1-CG2 4.22Å; L306-I416 HydrophobicContact CD2-CG2 4.14Å; L306-A417 HydrophobicContact CD1-CB 3.93Å; L306-A417 HydrophobicContact CG-CB 3.92Å; L306-A417 WeakPolarHBondContact O-CB 3.39Å; L306-I420 HydrophobicContact CD2-CD1 3.5Å; L306-I420 VanDerWaalsContact CD2-CD1 3.5Å; L306-F445 HydrophobicContact CB-CE1 4.36Å; L306-F445 HydrophobicContact CB-CZ 4.29Å; L306-F445 HydrophobicContact CD2-CZ 4.14Å; L306-F445 HydrophobicContact CG-CE1 4.44Å; L306-F445 HydrophobicContact CG-CZ 3.92Å
307	A	98.7	Very high	98.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-57.2	-44.6	172.5	0	0	0	0	0	110.8	P274 D304 T309 L310 I311 F445	P274-A307 HydrophobicContact CG-CB 4.06Å; D304-A307 HydrophobicContact CB-CB 3.91Å; D304-A307 WeakPolarHBondContact O-CB 3.29Å; D304-A307 PolarHBondContact O-N 3.03Å; D304-A307 PolarHBondContact OD1-N 3.47Å; A307-T309 PolarHBondContact O-N 2.89Å; A307-L310 PolarHBondContact O-N 2.93Å; A307-I311 HydrophobicContact CB-CD1 4.04Å; A307-I311 WeakPolarHBondContact O-CG1 3.48Å; A307-I311 PolarHBondContact O-N 3.48Å; A307-F445 HydrophobicContact CB-CB 4.19Å; A307-F445 HydrophobicContact CB-CD1 3.45Å; A307-F445 VanDerWaalsContact CB-CD1 3.45Å; A307-F445 HydrophobicContact CB-CD2 4.4Å; A307-F445 HydrophobicContact CB-CE1 3.86Å; A307-F445 HydrophobicContact CB-CG 3.75Å
308	L	98.7	Very high	98.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-60.3	-12.4	178.9	-66	-173.1	0	0	0	114	L188 T189 Y273 T303 D304 L306 L310 I311 P314 R525	L188-L308 WeakPolarHBondContact O-CD1 3.14Å; T189-L308 HydrophobicContact CG2-CD1 4.29Å; Y273-L308 HydrophobicContact CD1-CD2 4.01Å; Y273-L308 HydrophobicContact CE1-CD2 3.6Å; T303-L308 HydrophobicContact CG2-CD1 3.79Å; T303-L308 WeakPolarHBondContact OG1-CD2 3.46Å; D304-L308 WeakPolarHBondContact O-CG 3.39Å; D304-L308 PolarHBondContact O-N 2.77Å; D304-L308 VanDerWaalsContact O-N 3.11Å; L306-L308 VanDerWaalsContact C-N 3.28Å; L306-L308 PolarHBondContact O-N 2.86Å; L308-L310 PolarHBondContact O-N 3Å; L308-I311 HydrophobicContact CD2-CD1 4.46Å; L308-I311 HydrophobicContact CD2-CG1 4.05Å; L308-P314 HydrophobicContact CD1-CG 4.16Å; L308-P314 HydrophobicContact CD2-CG 4.46Å; L308-R525 WeakPolarHBondContact O-CD 3.48Å; L308-R525 PolarHBondContact O-NH1 3.45Å
309	T	98.6	Very high	98.2	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.012	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-72.7	-18.9	172.2	69	0	0	0	0	112.9	L188 L306 A307 L413 A417 Y529	L188-T309 HydrophobicContact CD2-CG2 4.11Å; L306-T309 WeakPolarHBondContact O-CB 3.22Å; L306-T309 WeakPolarHBondContact O-CG2 3.27Å; L306-T309 PolarHBondContact O-N 3.36Å; L306-T309 VanDerWaalsContact O-N 3.15Å; L306-T309 PolarHBondContact O-OG1 3.38Å; A307-T309 PolarHBondContact O-N 2.89Å; T309-L413 HydrophobicContact CG2-CB 3.98Å; T309-A417 WeakPolarHBondContact OG1-CB 3.31Å; T309-Y529 WeakPolarHBondContact CB-OH 3.12Å; T309-Y529 HydrophobicContact CG2-CE2 4.22Å; T309-Y529 PolarHBondContact O-OH 3.31Å
310	L	98.3	Very high	98.2	Very high	21 Å²	21	11.6 Å²	11.6	11%	0.11	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-29.8	-179.2	-57.1	-174.7	0	0	0	113.5	A307 L308 K414 A417 S418 H421 F445 I517 R525	A307-L310 PolarHBondContact O-N 2.93Å; L308-L310 PolarHBondContact O-N 3Å; L310-K414 HydrophobicContact CD2-CG 3.88Å; L310-A417 HydrophobicContact CD1-CB 3.91Å; L310-A417 HydrophobicContact CD2-CB 4.15Å; L310-A417 HydrophobicContact CG-CB 3.77Å; L310-S418 WeakPolarHBondContact CD2-OG 3.21Å; L310-H421 HydrophobicContact CD1-CB 4.02Å; L310-F445 HydrophobicContact CD1-CD2 4.22Å; L310-F445 HydrophobicContact CD1-CE2 4.02Å; L310-I517 HydrophobicContact CB-CD1 4.19Å; L310-I517 HydrophobicContact CD1-CD1 4.14Å; L310-R525 PolarHBondContact O-N 2.95Å
311	I	98.2	Very high	98.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-111.6	156	-173.8	69.8	-172	0	0	0	112.4	Y273 P274 I280 A307 L308 I517 L523 R525	Y273-I311 HydrophobicContact CD1-CD1 4.28Å; Y273-I311 HydrophobicContact CE1-CD1 3.56Å; Y273-I311 HydrophobicContact CE1-CG1 3.82Å; Y273-I311 HydrophobicContact CE2-CD1 4.04Å; Y273-I311 VanDerWaalsContact CZ-CD1 3.41Å; Y273-I311 WeakPolarHBondContact OH-CB 3.29Å; Y273-I311 WeakPolarHBondContact OH-CD1 3.37Å; Y273-I311 VanDerWaalsContact OH-CG1 3.31Å; Y273-I311 WeakPolarHBondContact OH-CG1 3.34Å; P274-I311 HydrophobicContact CG-CD1 4.33Å; I280-I311 HydrophobicContact CD1-CD1 4.22Å; I280-I311 HydrophobicContact CD1-CG2 4.17Å; I280-I311 HydrophobicContact CG2-CD1 4.43Å; A307-I311 HydrophobicContact CB-CD1 4.04Å; A307-I311 WeakPolarHBondContact O-CG1 3.48Å; A307-I311 PolarHBondContact O-N 3.48Å; L308-I311 HydrophobicContact CD2-CD1 4.46Å; L308-I311 HydrophobicContact CD2-CG1 4.05Å; I311-I517 HydrophobicContact CG2-CD1 3.75Å; I311-I517 HydrophobicContact CG2-CG1 4.09Å; I311-I517 HydrophobicContact CG2-CG2 3.93Å; I311-L523 CarbonylContact C-O 3.49Å; I311-L523 WeakPolarHBondContact CA-O 3.32Å; I311-L523 HydrophobicContact CB-CD1 3.77Å; I311-L523 HydrophobicContact CB-CG 4.21Å; I311-L523 HydrophobicContact CG2-CD1 3.92Å; I311-L523 HydrophobicContact CG2-CD2 4.3Å; I311-L523 HydrophobicContact CG2-CG 3.92Å; I311-R525 WeakPolarHBondContact O-CB 3.45Å
312	E	97.6	Very high	98.3	Very high	4 Å²	4	11.6 Å²	11.6	2%	0.019	7%	0.074	C	C	.	.			trans	-51.1	142.5	177.9	-82.2	-57.3	149.8	0	0	112	Y273 S316 L317 N522 L523 K526	Y273-E312 WeakPolarHBondContact CE1-O 3.36Å; Y273-E312 PolarHBondContact OH-O 3.32Å; E312-S316 WeakPolarHBondContact CB-OG 3.42Å; E312-S316 WeakPolarHBondContact OE2-CB 3.39Å; E312-S316 PolarHBondContact OE2-OG 2.81Å; E312-L317 HydrophobicContact CB-CD2 4.27Å; E312-N522 VanDerWaalsContact CG-O 3.26Å; E312-N522 WeakPolarHBondContact CG-O 3.48Å; E312-L523 PolarHBondContact N-O 2.84Å; E312-K526 WeakPolarHBondContact OE1-CB 3.35Å; E312-K526 WeakPolarHBondContact OE1-CG 3.15Å; E312-K526 PolarHBondContact OE1-N 2.92Å
313	S	97.9	Very high	98.3	Very high	6 Å²	6	11.6 Å²	11.6	4%	0.042	7%	0.074	C	C	.	.			trans	-75.6	154.8	-174.3	66.3	0	0	0	0	111.9	T189 D315 S316 L317	T189-S313 WeakPolarHBondContact O-CB 3.26Å; S313-D315 VanDerWaalsContact C-N 3.26Å; S313-D315 PolarHBondContact O-N 3.1Å; S313-S316 PolarHBondContact N-OG 3.46Å; S313-S316 PolarHBondContact O-N 3.45Å; S313-S316 VanDerWaalsContact O-N 3.08Å; S313-S316 PolarHBondContact O-OG 2.83Å; S313-S316 VanDerWaalsContact O-OG 3.11Å; S313-S316 PolarHBondContact OG-N 3.22Å; S313-L317 WeakPolarHBondContact O-CG 3.47Å; S313-L317 PolarHBondContact O-N 3.33Å
314	P	98.2	Very high	98.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-43.6	172.6	-30.3	34.2	0	0	0	114.3	T189 T301 T303 L308 L317 G318 A319 A322	T189-P314 WeakPolarHBondContact O-CD 3.42Å; T301-P314 HydrophobicContact CG2-CB 4.38Å; T301-P314 HydrophobicContact CG2-CG 4.28Å; T303-P314 HydrophobicContact CG2-CG 4.07Å; L308-P314 HydrophobicContact CD1-CG 4.16Å; L308-P314 HydrophobicContact CD2-CG 4.46Å; P314-L317 PolarHBondContact O-N 3.21Å; P314-G318 PolarHBondContact O-N 3.2Å; P314-A319 HydrophobicContact CB-CB 3.81Å; P314-A319 WeakPolarHBondContact O-CB 3.46Å; P314-A319 PolarHBondContact O-N 3.47Å; P314-A322 HydrophobicContact CB-CB 3.98Å; P314-A322 HydrophobicContact CG-CB 3.95Å
315	D	97.7	Very high	98.3	Very high	74 Å²	74	11.2 Å²	11.2	40%	0.396	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-44.8	176.8	178.8	62.9	0	0	0	112.3	T189 G190 L191 S313 L317 G318	T189-D315 PolarHBondContact O-N 3.27Å; T189-D315 VanDerWaalsContact O-N 3.08Å; G190-D315 VanDerWaalsContact O-CB 3.26Å; G190-D315 WeakPolarHBondContact O-CB 3.14Å; G190-D315 VanDerWaalsContact O-CG 3.23Å; L191-D315 HydrophobicContact CD2-CB 3.9Å; L191-D315 HydrophobicContact CG-CB 4.14Å; S313-D315 VanDerWaalsContact C-N 3.26Å; S313-D315 PolarHBondContact O-N 3.1Å; D315-L317 PolarHBondContact O-N 3.26Å; D315-G318 WeakPolarHBondContact O-CA 3.37Å; D315-G318 PolarHBondContact O-N 3.09Å
316	S	96.8	Very high	98.3	Very high	29 Å²	29	11.2 Å²	11.2	20%	0.203	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.8	179.6	86.2	0	0	0	0	112.5	R286 E312 S313	R286-S316 PolarHBondContact NH1-O 2.87Å; E312-S316 WeakPolarHBondContact CB-OG 3.42Å; E312-S316 WeakPolarHBondContact OE2-CB 3.39Å; E312-S316 PolarHBondContact OE2-OG 2.81Å; S313-S316 PolarHBondContact N-OG 3.46Å; S313-S316 PolarHBondContact O-N 3.45Å; S313-S316 VanDerWaalsContact O-N 3.08Å; S313-S316 PolarHBondContact O-OG 2.83Å; S313-S316 VanDerWaalsContact O-OG 3.11Å; S313-S316 PolarHBondContact OG-N 3.22Å
317	L	96.7	Very high	98.3	Very high	4 Å²	4	11.2 Å²	11.2	2%	0.021	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-6.9	170.7	-57.9	-177.1	0	0	0	113.7	Y273 D282 I285 R286 A289 E312 S313 P314 D315	Y273-L317 HydrophobicContact CD1-CD1 4.32Å; Y273-L317 HydrophobicContact CD2-CD1 4.18Å; Y273-L317 HydrophobicContact CE1-CD1 3.91Å; Y273-L317 HydrophobicContact CE2-CD1 3.73Å; Y273-L317 HydrophobicContact CG-CD1 4.44Å; D282-L317 HydrophobicContact CB-CD1 4.48Å; D282-L317 HydrophobicContact CB-CD2 3.92Å; I285-L317 HydrophobicContact CB-CD1 4.46Å; I285-L317 HydrophobicContact CD1-CD1 4.21Å; I285-L317 HydrophobicContact CG2-CB 3.87Å; I285-L317 HydrophobicContact CG2-CD1 4.14Å; R286-L317 HydrophobicContact CG-CD2 4.01Å; R286-L317 VanDerWaalsContact CZ-CD2 3.49Å; A289-L317 VanDerWaalsContact CB-O 3.24Å; A289-L317 WeakPolarHBondContact CB-O 3.5Å; E312-L317 HydrophobicContact CB-CD2 4.27Å; S313-L317 WeakPolarHBondContact O-CG 3.47Å; S313-L317 PolarHBondContact O-N 3.33Å; P314-L317 PolarHBondContact O-N 3.21Å; D315-L317 PolarHBondContact O-N 3.26Å
318	G	97	Very high	98.2	Very high	35 Å²	35	11.5 Å²	11.5	36%	0.361	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	93	20.6	178.7	0	0	0	0	0	115.1	P314 D315	P314-G318 PolarHBondContact O-N 3.2Å; D315-G318 WeakPolarHBondContact O-CA 3.37Å; D315-G318 PolarHBondContact O-N 3.09Å
319	A	98.3	Very high	98.3	Very high	2 Å²	2	11.5 Å²	11.5	2%	0.017	7%	0.074	C	C	.	.			trans	-69.9	143.4	174.8	0	0	0	0	0	111.7	L191 P314	L191-A319 WeakPolarHBondContact CD2-O 3.17Å; P314-A319 HydrophobicContact CB-CB 3.81Å; P314-A319 WeakPolarHBondContact O-CB 3.46Å; P314-A319 PolarHBondContact O-N 3.47Å
320	D	98.7	Very high	98.3	Very high	40 Å²	40	11.6 Å²	11.6	21%	0.214	7%	0.074	C	C	.	.	S	Bend	trans	-88.7	-29.3	171.4	-63.1	-77.2	0	0	0	112	L298 L299 S345 T346 L349	L298-D320 VanDerWaalsContact CA-OD2 3.3Å; L298-D320 WeakPolarHBondContact CA-OD2 3.23Å; L298-D320 HydrophobicContact CB-CB 4.25Å; L298-D320 HydrophobicContact CD2-CB 4.14Å; L299-D320 PolarHBondContact N-OD2 3.43Å; L299-D320 PolarHBondContact O-N 3.38Å; D320-S345 CarbonylContact O-C 3.54Å; D320-S345 VanDerWaalsContact O-CA 3.27Å; D320-S345 WeakPolarHBondContact O-CA 3.5Å; D320-T346 PolarHBondContact O-N 2.79Å; D320-L349 HydrophobicContact CB-CD1 4.13Å
321	I	98.8	Very high	98.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.9	-176.5	-53.4	175.2	0	0	0	109.5	A208 L211 L298 L299 I300 T301 V323 I343 S344 L349	A208-I321 HydrophobicContact CB-CG2 4.02Å; L211-I321 HydrophobicContact CB-CD1 4.5Å; L211-I321 HydrophobicContact CD1-CD1 4.14Å; L211-I321 HydrophobicContact CD2-CD1 3.78Å; L211-I321 HydrophobicContact CG-CD1 4.35Å; L298-I321 HydrophobicContact CD1-CD1 4.25Å; L299-I321 PolarHBondContact O-N 2.78Å; I300-I321 WeakPolarHBondContact CA-O 3.39Å; I300-I321 HydrophobicContact CB-CB 4.48Å; I300-I321 HydrophobicContact CD1-CD1 4.5Å; I300-I321 HydrophobicContact CG1-CB 4.09Å; I300-I321 HydrophobicContact CG1-CD1 4.15Å; I300-I321 HydrophobicContact CG1-CG1 4.46Å; I300-I321 HydrophobicContact CG2-CB 4.17Å; I300-I321 HydrophobicContact CG2-CG2 4.21Å; T301-I321 PolarHBondContact N-O 3.28Å; I321-V323 HydrophobicContact CG2-CG1 4.23Å; I321-I343 HydrophobicContact CG2-CD1 3.98Å; I321-I343 HydrophobicContact CG2-CG1 3.8Å; I321-S344 CarbonylContact C-O 3.56Å; I321-S344 VanDerWaalsContact CA-O 3.23Å; I321-S344 WeakPolarHBondContact CA-O 3.45Å; I321-S344 WeakPolarHBondContact CG2-O 3.43Å; I321-L349 HydrophobicContact CD1-CD1 4.01Å; I321-L349 HydrophobicContact CG1-CD1 3.71Å
322	A	98.9	Very high	98.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.7	168.9	0	0	0	0	0	110.6	T189 L191 T301 T303 P314 I343 S344	T189-A322 HydrophobicContact CG2-CB 3.73Å; L191-A322 HydrophobicContact CD1-CB 3.58Å; T301-A322 CarbonylContact O-C 3.58Å; T301-A322 VanDerWaalsContact O-CA 3.27Å; T301-A322 WeakPolarHBondContact O-CA 3Å; T303-A322 HydrophobicContact CG2-CB 4.39Å; P314-A322 HydrophobicContact CB-CB 3.98Å; P314-A322 HydrophobicContact CG-CB 3.95Å; A322-I343 CarbonylContact O-C 3.51Å; A322-I343 WeakPolarHBondContact O-CA 3.38Å; A322-S344 PolarHBondContact N-O 3.06Å; A322-S344 PolarHBondContact O-N 3.45Å
323	V	98.9	Very high	98.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	163.2	177.5	-64.2	0	0	0	0	110.8	A204 A208 I300 T301 A302 T303 I321 F342 I343	A204-V323 HydrophobicContact CB-CB 4.13Å; A204-V323 HydrophobicContact CB-CG1 4.26Å; A208-V323 HydrophobicContact CB-CG1 3.93Å; I300-V323 HydrophobicContact CG2-CG2 4.49Å; T301-V323 PolarHBondContact O-N 3.04Å; A302-V323 CarbonylContact C-O 3.56Å; A302-V323 VanDerWaalsContact CA-O 3.25Å; A302-V323 WeakPolarHBondContact CA-O 3.2Å; A302-V323 HydrophobicContact CB-CG2 3.95Å; T303-V323 PolarHBondContact N-O 2.84Å; I321-V323 HydrophobicContact CG2-CG1 4.23Å; V323-F342 VanDerWaalsContact C-CZ 3.47Å; V323-F342 VanDerWaalsContact CA-O 3.29Å; V323-F342 WeakPolarHBondContact CA-O 3.27Å; V323-F342 WeakPolarHBondContact O-CZ 3.35Å; V323-I343 HydrophobicContact CG1-CB 3.98Å; V323-I343 HydrophobicContact CG1-CD1 3.98Å; V323-I343 HydrophobicContact CG1-CG1 3.74Å
324	G	98.8	Very high	98.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165	-171.1	176	0	0	0	0	0	112.4	A341 F342	G324-A341 CarbonylContact O-C 3.55Å; G324-A341 WeakPolarHBondContact O-CA 3.27Å; G324-A341 WeakPolarHBondContact O-CB 3.44Å; G324-F342 VanDerWaalsContact C-CD1 3.48Å; G324-F342 VanDerWaalsContact CA-CZ 3.45Å; G324-F342 PolarHBondContact N-O 3.5Å; G324-F342 VanDerWaalsContact O-CD1 3.31Å; G324-F342 WeakPolarHBondContact O-CD1 3.16Å; G324-F342 PolarHBondContact O-N 2.87Å
325	S	98.8	Very high	98.3	Very high	17 Å²	17	12.4 Å²	12.4	12%	0.119	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.2	173.7	-177.6	0	0	0	0	111.4	Q327	S325-Q327 VanDerWaalsContact C-N 3.32Å; S325-Q327 VanDerWaalsContact OG-CB 3.22Å; S325-Q327 WeakPolarHBondContact OG-CB 3.43Å; S325-Q327 PolarHBondContact OG-N 3.48Å; S325-Q327 VanDerWaalsContact OG-N 3.13Å
326	S	98.8	Very high	98.4	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.064	C	C	.	.			trans	-92.4	13.7	167.7	75.6	0	0	0	0	113.1	R328 F329 A340	S326-R328 PolarHBondContact O-N 3.29Å; S326-F329 WeakPolarHBondContact O-CB 3.32Å; S326-F329 PolarHBondContact O-N 3.14Å; S326-F329 VanDerWaalsContact O-N 3.14Å; S326-A340 PolarHBondContact N-O 3.37Å; S326-A340 PolarHBondContact OG-O 3.2Å
327	Q	98.8	Very high	98.4	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-51.1	-175.3	177.6	-89.4	-50.7	0	0	113.2	Y141 S325 F329 I331 H339	Y141-Q327 PolarHBondContact O-NE2 3.41Å; Y141-Q327 PolarHBondContact O-OE1 2.66Å; S325-Q327 VanDerWaalsContact C-N 3.32Å; S325-Q327 VanDerWaalsContact OG-CB 3.22Å; S325-Q327 WeakPolarHBondContact OG-CB 3.43Å; S325-Q327 PolarHBondContact OG-N 3.48Å; S325-Q327 VanDerWaalsContact OG-N 3.13Å; Q327-F329 PolarHBondContact O-N 2.67Å; Q327-I331 PolarHBondContact NE2-O 2.98Å; Q327-I331 WeakPolarHBondContact O-CA 3.4Å; Q327-I331 WeakPolarHBondContact O-CB 3.46Å; Q327-I331 PolarHBondContact O-N 3Å; Q327-H339 HydrophobicContact CB-CB 4Å; Q327-H339 WeakPolarHBondContact CG-CD2 3.47Å; Q327-H339 VanDerWaalsContact CG-NE2 3.3Å; Q327-H339 WeakPolarHBondContact CG-NE2 3.3Å
328	R	98.6	Very high	98.5	Very high	7 Å²	7	8 Å²	8	3%	0.026	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	4.7	-175.4	75.9	-174	-59.5	168.7	2.9	114.5	Y141 T143 D304 L306 S326 G330 D446	Y141-R328 HydrophobicContact CD2-CB 4.48Å; T143-R328 PolarHBondContact OG1-O 3.01Å; T143-R328 VanDerWaalsContact OG1-O 3.12Å; D304-R328 WeakPolarHBondContact OD1-CD 3.03Å; D304-R328 IonicContact OD1-NE 2.79Å; D304-R328 IonicContact OD1-NH1 3.55Å; D304-R328 WeakPolarHBondContact OD2-CD 3.29Å; D304-R328 IonicContact OD2-CZ 2.92Å; D304-R328 IonicContact OD2-NE 3.51Å; D304-R328 IonicContact OD2-NH1 3.87Å; D304-R328 PolarHBondContact OD2-NH1 2.63Å; L306-R328 HydrophobicContact CB-CG 4.2Å; S326-R328 PolarHBondContact O-N 3.29Å; R328-G330 VanDerWaalsContact C-N 3.26Å; R328-G330 PolarHBondContact O-N 3.35Å; R328-D446 IonicContact CZ-OD2 2.72Å; R328-D446 VanDerWaalsContact CZ-OD2 3.3Å; R328-D446 IonicContact NH1-OD2 3.93Å; R328-D446 PolarHBondContact NH1-OD2 2.78Å; R328-D446 IonicContact NH2-OD2 2.81Å; R328-D446 PolarHBondContact NH2-OD2 3.31Å
329	F	98.8	Very high	98.6	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	63.8	165.4	-78.3	13.4	0	0	0	109.3	M184 L188 L305 L306 S326 Q327 A401 Y404 L413	M184-F329 HydrophobicContact CE-CD2 4.45Å; M184-F329 HydrophobicContact CG-CE2 4.35Å; M184-F329 HydrophobicContact SD-CD2 3.64Å; M184-F329 HydrophobicContact SD-CE2 3.7Å; L188-F329 HydrophobicContact CD1-CE2 3.7Å; L188-F329 HydrophobicContact CD1-CZ 3.79Å; L305-F329 HydrophobicContact CB-CE1 3.85Å; L305-F329 HydrophobicContact CB-CE2 3.95Å; L305-F329 HydrophobicContact CB-CZ 3.53Å; L305-F329 HydrophobicContact CD1-CD2 4.21Å; L305-F329 HydrophobicContact CD1-CE2 4.07Å; L305-F329 HydrophobicContact CD1-CZ 4.48Å; L306-F329 HydrophobicContact CB-CE1 3.93Å; L306-F329 HydrophobicContact CD1-CE1 4.03Å; S326-F329 WeakPolarHBondContact O-CB 3.32Å; S326-F329 PolarHBondContact O-N 3.14Å; S326-F329 VanDerWaalsContact O-N 3.14Å; Q327-F329 PolarHBondContact O-N 2.67Å; F329-A401 HydrophobicContact CB-CB 4.05Å; F329-Y404 VanDerWaalsContact C-CG 3.41Å; F329-Y404 VanDerWaalsContact CA-CD1 3.48Å; F329-Y404 HydrophobicContact CB-CD1 3.55Å; F329-Y404 HydrophobicContact CB-CE1 4.08Å; F329-Y404 HydrophobicContact CB-CG 4.07Å; F329-Y404 HydrophobicContact CD1-CD1 4.2Å; F329-Y404 HydrophobicContact CD1-CE1 4.02Å; F329-Y404 HydrophobicContact CD2-CD1 4.3Å; F329-Y404 AromaticContact CG-CD1 3.78Å; F329-Y404 HydrophobicContact CG-CD1 3.78Å; F329-Y404 HydrophobicContact CG-CE1 4.09Å; F329-Y404 WeakPolarHBondContact O-CB 3.41Å; F329-L413 HydrophobicContact CE1-CD2 4.32Å; F329-L413 HydrophobicContact CE2-CD1 4.36Å; F329-L413 HydrophobicContact CZ-CD1 4.27Å; F329-L413 HydrophobicContact CZ-CD2 4.3Å
330	G	98.5	Very high	98.6	Very high	3 Å²	3	6.6 Å²	6.6	3%	0.031	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	17.3	169.9	0	0	0	0	0	116.3	T143 T145 R328 Y404	T143-G330 PolarHBondContact OG1-N 3.3Å; T145-G330 WeakPolarHBondContact CA-O 3.37Å; T145-G330 VanDerWaalsContact CB-O 3.26Å; T145-G330 WeakPolarHBondContact CB-O 3.45Å; T145-G330 VanDerWaalsContact CG2-O 3.23Å; T145-G330 WeakPolarHBondContact CG2-O 3.47Å; T145-G330 PolarHBondContact OG1-O 3.17Å; R328-G330 VanDerWaalsContact C-N 3.26Å; R328-G330 PolarHBondContact O-N 3.35Å; G330-Y404 VanDerWaalsContact CA-CD2 3.42Å
331	I	98.8	Very high	98.6	Very high	5 Å²	5	4.7 Å²	4.7	3%	0.026	3%	0.03	C	C	.	.			trans	-111	127.3	176.9	-50.3	158	0	0	0	109.4	T143 Q327 L397 M400 A401	T143-I331 WeakPolarHBondContact CG2-O 3.48Å; Q327-I331 PolarHBondContact NE2-O 2.98Å; Q327-I331 WeakPolarHBondContact O-CA 3.4Å; Q327-I331 WeakPolarHBondContact O-CB 3.46Å; Q327-I331 PolarHBondContact O-N 3Å; I331-L397 HydrophobicContact CD1-CB 4.11Å; I331-L397 WeakPolarHBondContact CD1-O 3.17Å; I331-L397 HydrophobicContact CG2-CD1 4.11Å; I331-M400 HydrophobicContact CG1-CB 4.28Å; I331-A401 HydrophobicContact CD1-CB 4.21Å
332	P	98.1	Very high	98.6	Very high	29 Å²	29	4.7 Å²	4.7	19%	0.188	3%	0.03	C	C	.	.			trans	-60.4	155.7	-179.9	-23.1	34.6	0	0	0	113.2	T145 G334 H339 N587	T145-P332 WeakPolarHBondContact OG1-CD 3.37Å; P332-G334 PolarHBondContact O-N 2.85Å; P332-H339 PolarHBondContact O-NE2 3.37Å; P332-N587 HydrophobicContact CB-CB 3.89Å; P332-N587 WeakPolarHBondContact CB-O 3.45Å; P332-N587 HydrophobicContact CG-CB 4.4Å
333	M	98.5	Very high	98.6	Very high	14 Å²	14	4.7 Å²	4.7	7%	0.069	3%	0.03	C	C	.	.			trans	-62.7	-23.1	-178.1	-70.3	-175.3	-72.4	0	0	114.3	F335 G336 G337 H339 N587 K588 L589 H590	M333-F335 PolarHBondContact O-N 3.33Å; M333-F335 VanDerWaalsContact O-N 3.08Å; M333-G336 PolarHBondContact O-N 2.51Å; M333-G337 PolarHBondContact O-N 3.04Å; M333-H339 PolarHBondContact O-CE1 3.07Å; M333-H339 PolarHBondContact O-NE2 2.73Å; M333-N587 PolarHBondContact N-O 3.21Å; M333-K588 VanDerWaalsContact CE-O 3.25Å; M333-K588 WeakPolarHBondContact CE-O 3.45Å; M333-L589 WeakPolarHBondContact CB-O 3.49Å; M333-H590 HydrophobicContact CE-CB 3.96Å; M333-H590 HydrophobicContact SD-CB 3.77Å; M333-H590 VanDerWaalsContact SD-CD2 3.55Å
334	G	98.2	Very high	98.6	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.01	3%	0.03	C	C	.	.	G	3₁₀ helix	trans	64.2	18	166.2	0	0	0	0	0	115.8	P332 G336 G337 N587 S829	P332-G334 PolarHBondContact O-N 2.85Å; G334-G336 PolarHBondContact O-N 3.02Å; G334-G336 VanDerWaalsContact O-N 3.09Å; G334-G337 PolarHBondContact O-N 3.17Å; G334-G337 VanDerWaalsContact O-O 3.04Å; G334-N587 WeakPolarHBondContact CA-O 3.05Å; G334-N587 PolarHBondContact N-O 3.24Å; G334-S829 PolarHBondContact O-N 2.65Å
335	F	98.3	Very high	98.6	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.03	C	C	.	.	G	3₁₀ helix	trans	47.6	33.9	-165.3	-170.2	-129.9	0	0	0	112.6	M333 L589 H590 P591 V593 V598 Y601 Y796 Y825 A828	M333-F335 PolarHBondContact O-N 3.33Å; M333-F335 VanDerWaalsContact O-N 3.08Å; F335-L589 VanDerWaalsContact CA-O 3.26Å; F335-L589 WeakPolarHBondContact CA-O 3.12Å; F335-L589 HydrophobicContact CB-CB 4.15Å; F335-L589 HydrophobicContact CD2-CB 4.34Å; F335-L589 PolarHBondContact N-O 3.06Å; F335-H590 WeakPolarHBondContact CD2-O 3.49Å; F335-P591 WeakPolarHBondContact CE2-O 3.36Å; F335-V593 HydrophobicContact CE2-CG2 4.22Å; F335-V598 HydrophobicContact CD2-CG1 4.07Å; F335-V598 HydrophobicContact CE1-CB 4.48Å; F335-V598 HydrophobicContact CE2-CB 4.34Å; F335-V598 HydrophobicContact CE2-CG1 3.73Å; F335-V598 HydrophobicContact CE2-CG2 4.3Å; F335-V598 HydrophobicContact CZ-CB 4.09Å; F335-V598 HydrophobicContact CZ-CG1 3.98Å; F335-V598 HydrophobicContact CZ-CG2 3.91Å; F335-Y601 HydrophobicContact CB-CD2 4.12Å; F335-Y601 HydrophobicContact CB-CE2 3.51Å; F335-Y601 HydrophobicContact CD1-CD1 4.08Å; F335-Y601 AromaticContact CD1-CD2 3.55Å; F335-Y601 HydrophobicContact CD1-CD2 3.55Å; F335-Y601 HydrophobicContact CD1-CE1 4.32Å; F335-Y601 AromaticContact CD1-CE2 3.8Å; F335-Y601 HydrophobicContact CD1-CE2 3.8Å; F335-Y601 AromaticContact CD1-CG 3.7Å; F335-Y601 HydrophobicContact CD1-CG 3.7Å; F335-Y601 HydrophobicContact CE1-CD2 4.17Å; F335-Y601 HydrophobicContact CE1-CG 4.09Å; F335-Y601 AromaticContact CG-CD2 3.91Å; F335-Y601 HydrophobicContact CG-CD2 3.91Å; F335-Y601 AromaticContact CG-CE2 3.84Å; F335-Y601 HydrophobicContact CG-CE2 3.84Å; F335-Y796 HydrophobicContact CZ-CE1 4.47Å; F335-Y825 AromaticContact CE1-CD2 3.68Å; F335-Y825 HydrophobicContact CE1-CD2 3.68Å; F335-Y825 HydrophobicContact CE1-CE2 4.15Å; F335-Y825 HydrophobicContact CZ-CD2 4.11Å; F335-Y825 HydrophobicContact CZ-CE2 4.3Å; F335-A828 HydrophobicContact CB-CB 4.09Å; F335-A828 HydrophobicContact CD1-CB 3.69Å; F335-A828 HydrophobicContact CG-CB 4.3Å
336	G	98.2	Very high	98.5	Very high	6 Å²	6	5.5 Å²	5.5	6%	0.062	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	131.7	-32.1	178.9	0	0	0	0	0	114.7	Y140 M333 G334 H339 G826	Y140-G336 WeakPolarHBondContact CE1-O 3.49Å; M333-G336 PolarHBondContact O-N 2.51Å; G334-G336 PolarHBondContact O-N 3.02Å; G334-G336 VanDerWaalsContact O-N 3.09Å; G336-H339 PolarHBondContact O-CE1 3.15Å; G336-H339 PolarHBondContact O-ND1 2.84Å; G336-G826 CarbonylContact C-O 3.56Å
337	G	98.3	Very high	98.3	Very high	2 Å²	2	12.2 Å²	12.2	2%	0.021	7%	0.066	C	C	.	.			trans	170.1	-179.3	-177.3	0	0	0	0	0	113.3	M333 G334 S827 S829	M333-G337 PolarHBondContact O-N 3.04Å; G334-G337 PolarHBondContact O-N 3.17Å; G334-G337 VanDerWaalsContact O-O 3.04Å; G337-S827 CarbonylContact O-C 3.43Å; G337-S829 PolarHBondContact O-N 3.2Å; G337-S829 PolarHBondContact O-OG 3.39Å
338	P	98.6	Very high	98.2	Very high	6 Å²	6	15.9 Å²	15.9	4%	0.039	10%	0.096	C	C	.	.			cis	-86.5	144	15.5	33.4	-35.9	0	0	0	113.3	L397 P775 S829 L830	P338-L397 HydrophobicContact CB-CD2 3.8Å; P338-L397 HydrophobicContact CB-CG 4.05Å; P338-L397 HydrophobicContact CG-CD1 4.08Å; P338-L397 HydrophobicContact CG-CD2 3.8Å; P338-L397 HydrophobicContact CG-CG 3.96Å; P338-P775 HydrophobicContact CB-CB 3.61Å; P338-P775 HydrophobicContact CB-CG 4.35Å; P338-P775 HydrophobicContact CG-CB 3.93Å; P338-P775 HydrophobicContact CG-CG 4.12Å; P338-S829 WeakPolarHBondContact CD-OG 2.99Å; P338-L830 HydrophobicContact CB-CD1 4.26Å; P338-L830 HydrophobicContact CG-CD1 3.94Å; P338-L830 HydrophobicContact CG-CD2 4.08Å; P338-L830 HydrophobicContact CG-CG 4.11Å
339	H	98.6	Very high	98.1	Very high	8 Å²	8	15.7 Å²	15.7	4%	0.037	10%	0.096	C	C	.	.			trans	-137.2	139.2	173.1	-51.3	128.3	0	0	0	110.2	Y140 Q327 P332 M333 G336 A341 Q394	Y140-H339 AromaticContact CD1-CE1 3.78Å; Y140-H339 AromaticContact CD1-ND1 4Å; Y140-H339 AromaticContact CE1-CE1 3.72Å; Y140-H339 AromaticContact CE1-ND1 3.62Å; Q327-H339 HydrophobicContact CB-CB 4Å; Q327-H339 WeakPolarHBondContact CG-CD2 3.47Å; Q327-H339 VanDerWaalsContact CG-NE2 3.3Å; Q327-H339 WeakPolarHBondContact CG-NE2 3.3Å; P332-H339 PolarHBondContact O-NE2 3.37Å; M333-H339 PolarHBondContact O-CE1 3.07Å; M333-H339 PolarHBondContact O-NE2 2.73Å; G336-H339 PolarHBondContact O-CE1 3.15Å; G336-H339 PolarHBondContact O-ND1 2.84Å; H339-A341 PolarHBondContact O-N 2.77Å; H339-Q394 WeakPolarHBondContact O-CG 3.36Å
340	A	98.9	Very high	97.9	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.098	C	C	.	.			trans	-73.3	118.3	170.9	0	0	0	0	0	110.5	Y181 S326 Q394 L397 A398	Y181-A340 HydrophobicContact CE2-CB 4.39Å; S326-A340 PolarHBondContact N-O 3.37Å; S326-A340 PolarHBondContact OG-O 3.2Å; A340-Q394 HydrophobicContact CB-CB 3.94Å; A340-L397 HydrophobicContact CB-CB 4.19Å; A340-A398 HydrophobicContact CB-CB 3.78Å
341	A	98.9	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	152	164.3	0	0	0	0	0	110.3	Y181 S197 L198 D200 A204 G324 H339	Y181-A341 PolarHBondContact OH-O 3.06Å; S197-A341 CarbonylContact C-O 3.59Å; S197-A341 VanDerWaalsContact CA-O 3.23Å; S197-A341 WeakPolarHBondContact CA-O 3.4Å; L198-A341 HydrophobicContact CB-CB 4.08Å; L198-A341 PolarHBondContact N-O 3.25Å; L198-A341 PolarHBondContact O-N 3.37Å; D200-A341 VanDerWaalsContact O-CB 3.26Å; D200-A341 WeakPolarHBondContact O-CB 3.43Å; A204-A341 HydrophobicContact CB-CB 4.05Å; G324-A341 CarbonylContact O-C 3.55Å; G324-A341 WeakPolarHBondContact O-CA 3.27Å; G324-A341 WeakPolarHBondContact O-CB 3.44Å; H339-A341 PolarHBondContact O-N 2.77Å
342	F	98.9	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	152.1	175.8	63.9	-90.8	0	0	0	111.4	Y181 I185 T189 T303 L305 V323 G324	Y181-F342 HydrophobicContact CE1-CB 4.49Å; I185-F342 HydrophobicContact CD1-CB 3.61Å; I185-F342 HydrophobicContact CD1-CD1 3.82Å; I185-F342 HydrophobicContact CD1-CD2 4.28Å; I185-F342 HydrophobicContact CD1-CG 3.65Å; I185-F342 HydrophobicContact CG1-CB 3.86Å; I185-F342 HydrophobicContact CG1-CG 4.34Å; I185-F342 HydrophobicContact CG2-CB 3.94Å; I185-F342 HydrophobicContact CG2-CD2 3.75Å; I185-F342 HydrophobicContact CG2-CG 4.04Å; T189-F342 HydrophobicContact CG2-CD2 4.43Å; T189-F342 HydrophobicContact CG2-CE2 3.94Å; T303-F342 HydrophobicContact CG2-CE2 3.97Å; T303-F342 HydrophobicContact CG2-CZ 3.71Å; L305-F342 HydrophobicContact CD1-CD1 4.08Å; L305-F342 HydrophobicContact CD1-CE1 3.98Å; L305-F342 HydrophobicContact CD2-CD1 4.16Å; L305-F342 HydrophobicContact CD2-CE1 3.62Å; L305-F342 HydrophobicContact CD2-CE2 4.21Å; L305-F342 HydrophobicContact CD2-CZ 3.65Å; L305-F342 HydrophobicContact CG-CD1 4.15Å; L305-F342 HydrophobicContact CG-CE1 3.56Å; L305-F342 HydrophobicContact CG-CZ 4.04Å; V323-F342 VanDerWaalsContact C-CZ 3.47Å; V323-F342 VanDerWaalsContact CA-O 3.29Å; V323-F342 WeakPolarHBondContact CA-O 3.27Å; V323-F342 WeakPolarHBondContact O-CZ 3.35Å; G324-F342 VanDerWaalsContact C-CD1 3.48Å; G324-F342 VanDerWaalsContact CA-CZ 3.45Å; G324-F342 PolarHBondContact N-O 3.5Å; G324-F342 VanDerWaalsContact O-CD1 3.31Å; G324-F342 WeakPolarHBondContact O-CD1 3.16Å; G324-F342 PolarHBondContact O-N 2.87Å
343	I	98.8	Very high	97.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.4	159.9	-175.6	163.7	0	0	0	108.1	A194 N195 L198 A208 I321 A322 V323 L353 P354	A194-I343 VanDerWaalsContact CA-O 3.31Å; A194-I343 WeakPolarHBondContact CA-O 3.29Å; N195-I343 HydrophobicContact CB-CG2 4.03Å; N195-I343 VanDerWaalsContact CG-CG2 3.43Å; N195-I343 PolarHBondContact N-O 3.13Å; N195-I343 VanDerWaalsContact N-O 3.1Å; N195-I343 WeakPolarHBondContact ND2-CG2 3.18Å; L198-I343 HydrophobicContact CD1-CB 4.02Å; L198-I343 HydrophobicContact CD1-CG2 3.67Å; L198-I343 HydrophobicContact CG-CG2 4.13Å; A208-I343 HydrophobicContact CB-CD1 4.1Å; I321-I343 HydrophobicContact CG2-CD1 3.98Å; I321-I343 HydrophobicContact CG2-CG1 3.8Å; A322-I343 CarbonylContact O-C 3.51Å; A322-I343 WeakPolarHBondContact O-CA 3.38Å; V323-I343 HydrophobicContact CG1-CB 3.98Å; V323-I343 HydrophobicContact CG1-CD1 3.98Å; V323-I343 HydrophobicContact CG1-CG1 3.74Å; I343-L353 HydrophobicContact CD1-CD2 4.41Å; I343-L353 HydrophobicContact CG1-CD2 4.1Å; I343-L353 HydrophobicContact CG2-CD2 4.26Å; I343-P354 HydrophobicContact CD1-CG 4.16Å; I343-P354 HydrophobicContact CG2-CG 3.94Å
344	S	98.6	Very high	97.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.7	175.7	-164.7	0	0	0	0	109.6	T189 L191 R193 I321 A322	T189-S344 PolarHBondContact OG1-OG 3.17Å; L191-S344 VanDerWaalsContact CB-OG 3.29Å; L191-S344 WeakPolarHBondContact CB-OG 3.32Å; L191-S344 WeakPolarHBondContact CD1-O 3.32Å; R193-S344 CarbonylContact O-C 3.53Å; R193-S344 VanDerWaalsContact O-CA 3.24Å; R193-S344 WeakPolarHBondContact O-CA 3.48Å; R193-S344 PolarHBondContact O-OG 3.2Å; I321-S344 CarbonylContact C-O 3.56Å; I321-S344 VanDerWaalsContact CA-O 3.23Å; I321-S344 WeakPolarHBondContact CA-O 3.45Å; I321-S344 WeakPolarHBondContact CG2-O 3.43Å; A322-S344 PolarHBondContact N-O 3.06Å; A322-S344 PolarHBondContact O-N 3.45Å
345	S	98.4	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	166.3	-179.2	72.6	0	0	0	0	113.1	A192 R193 D320	A192-S345 PolarHBondContact N-O 2.7Å; A192-S345 VanDerWaalsContact N-O 3.17Å; R193-S345 PolarHBondContact N-O 3.24Å; R193-S345 VanDerWaalsContact N-O 3.13Å; R193-S345 PolarHBondContact O-N 3.45Å; D320-S345 CarbonylContact O-C 3.54Å; D320-S345 VanDerWaalsContact O-CA 3.27Å; D320-S345 WeakPolarHBondContact O-CA 3.5Å
346	T	97.6	Very high	97.6	Very high	34 Å²	34	25.8 Å²	25.8	21%	0.209	13%	0.134	C	C	.	.			trans	-59.4	158.3	162.7	60.2	0	0	0	0	110.9	L191 D320 A348 L349	L191-T346 HydrophobicContact CD2-CG2 3.93Å; D320-T346 PolarHBondContact O-N 2.79Å; T346-A348 PolarHBondContact O-N 2.65Å; T346-L349 PolarHBondContact O-N 3.2Å; T346-L349 VanDerWaalsContact O-N 3.16Å
347	E	94.9	Very high	97.6	Very high	140 Å²	140	25.6 Å²	25.6	65%	0.654	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	-58.6	-36.5	-175.9	-173.5	176.5	-179.4	0	0	112.7	A192 L349 T350	A192-E347 HydrophobicContact CB-CB 4.17Å; E347-L349 PolarHBondContact O-N 3.1Å; E347-L349 VanDerWaalsContact O-N 3.09Å; E347-T350 WeakPolarHBondContact O-CB 3.41Å; E347-T350 PolarHBondContact O-N 3.27Å; E347-T350 VanDerWaalsContact O-N 3.16Å; E347-T350 PolarHBondContact O-OG1 2.95Å
348	A	95.3	Very high	97.6	Very high	79 Å²	79	25.5 Å²	25.5	65%	0.653	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	-60.3	-22.4	-179.1	0	0	0	0	0	114	T346	T346-A348 PolarHBondContact O-N 2.65Å
349	L	97.1	Very high	97.6	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-98.7	-4.4	-176.2	-61.2	176.5	0	0	0	113.3	L211 Y215 L298 D320 I321 T346 E347 R351 L352 L353	L211-L349 HydrophobicContact CD2-CB 4.3Å; L211-L349 HydrophobicContact CD2-CD1 4.22Å; L211-L349 HydrophobicContact CD2-CD2 3.97Å; L211-L349 HydrophobicContact CD2-CG 4.39Å; Y215-L349 HydrophobicContact CD1-CD2 4.09Å; Y215-L349 HydrophobicContact CD2-CD2 3.46Å; Y215-L349 VanDerWaalsContact CD2-CD2 3.46Å; Y215-L349 HydrophobicContact CE1-CD2 4.33Å; Y215-L349 HydrophobicContact CE2-CD2 3.72Å; Y215-L349 HydrophobicContact CG-CD2 3.65Å; L298-L349 HydrophobicContact CD1-CD1 3.89Å; L298-L349 HydrophobicContact CD1-CD2 4.03Å; D320-L349 HydrophobicContact CB-CD1 4.13Å; I321-L349 HydrophobicContact CD1-CD1 4.01Å; I321-L349 HydrophobicContact CG1-CD1 3.71Å; T346-L349 PolarHBondContact O-N 3.2Å; T346-L349 VanDerWaalsContact O-N 3.16Å; E347-L349 PolarHBondContact O-N 3.1Å; E347-L349 VanDerWaalsContact O-N 3.09Å; L349-R351 VanDerWaalsContact C-N 3.28Å; L349-R351 PolarHBondContact O-N 3.31Å; L349-R351 VanDerWaalsContact O-N 3.13Å; L349-L352 PolarHBondContact O-N 3.01Å; L349-L353 PolarHBondContact O-N 3.16Å
350	T	94.7	Very high	97.5	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.043	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-53.2	-40.6	-171.9	-53.5	0	0	0	0	113.5	R193 E347 L352 L353 L374 L1024	R193-T350 HydrophobicContact CB-CG2 4.33Å; R193-T350 HydrophobicContact CG-CG2 4.08Å; R193-T350 WeakPolarHBondContact CG-OG1 3.4Å; E347-T350 WeakPolarHBondContact O-CB 3.41Å; E347-T350 PolarHBondContact O-N 3.27Å; E347-T350 VanDerWaalsContact O-N 3.16Å; E347-T350 PolarHBondContact O-OG1 2.95Å; T350-L352 PolarHBondContact O-N 2.83Å; T350-L352 VanDerWaalsContact O-N 3.17Å; T350-L353 HydrophobicContact CG2-CD1 4.46Å; T350-L353 PolarHBondContact O-N 2.96Å; T350-L374 HydrophobicContact CG2-CD1 4.21Å; T350-L1024 HydrophobicContact CG2-CD2 3.69Å
351	R	95.6	Very high	97.4	Very high	200 Å²	200	26 Å²	26	76%	0.755	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-67.8	-12.8	180	-69.7	-174.8	176.6	-178.3	-0.4	114	L349 R377	L349-R351 VanDerWaalsContact C-N 3.28Å; L349-R351 PolarHBondContact O-N 3.31Å; L349-R351 VanDerWaalsContact O-N 3.13Å; R351-R377 WeakPolarHBondContact O-CD 3.26Å; R351-R377 WeakPolarHBondContact O-CG 3.18Å
352	L	97.1	Very high	97.3	Very high	44 Å²	44	28.6 Å²	28.6	23%	0.23	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-108.7	-1.3	-179.1	-60.8	177.5	0	0	0	113.3	L211 Y215 L349 T350	L211-L352 HydrophobicContact CD1-CB 4.35Å; L211-L352 HydrophobicContact CD2-CB 4.25Å; L211-L352 HydrophobicContact CD2-CD1 4.5Å; L211-L352 HydrophobicContact CG-CB 3.88Å; Y215-L352 HydrophobicContact CD2-CD1 3.97Å; Y215-L352 HydrophobicContact CG-CD1 4.45Å; L349-L352 PolarHBondContact O-N 3.01Å; T350-L352 PolarHBondContact O-N 2.83Å; T350-L352 VanDerWaalsContact O-N 3.17Å
353	L	97.8	Very high	97.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.			trans	-59.8	137.4	176.9	-78	174.3	0	0	0	110.9	R193 L211 I343 L349 T350 I357 R377 T387	R193-L353 HydrophobicContact CB-CD1 4.21Å; L211-L353 HydrophobicContact CD1-CD2 4.15Å; I343-L353 HydrophobicContact CD1-CD2 4.41Å; I343-L353 HydrophobicContact CG1-CD2 4.1Å; I343-L353 HydrophobicContact CG2-CD2 4.26Å; L349-L353 PolarHBondContact O-N 3.16Å; T350-L353 HydrophobicContact CG2-CD1 4.46Å; T350-L353 PolarHBondContact O-N 2.96Å; L353-I357 HydrophobicContact CB-CD1 4Å; L353-I357 HydrophobicContact CD1-CD1 3.86Å; L353-R377 PolarHBondContact O-NH1 2.99Å; L353-T387 PolarHBondContact O-OG1 3.46Å; L353-T387 VanDerWaalsContact O-OG1 3.08Å
354	P	98.1	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.			trans	-78.4	152.3	175.3	35.4	-39.2	0	0	0	111.8	N195 L198 E207 I343	N195-P354 PolarHBondContact ND2-O 3.39Å; L198-P354 HydrophobicContact CD1-CG 3.96Å; L198-P354 HydrophobicContact CD2-CB 4.21Å; L198-P354 HydrophobicContact CD2-CG 4.02Å; E207-P354 HydrophobicContact CB-CB 4.32Å; E207-P354 HydrophobicContact CB-CG 3.93Å; E207-P354 HydrophobicContact CG-CB 4.22Å; E207-P354 HydrophobicContact CG-CG 4.28Å; I343-P354 HydrophobicContact CD1-CG 4.16Å; I343-P354 HydrophobicContact CG2-CG 3.94Å
355	G	97.4	Very high	96.9	Very high	6 Å²	6	36.6 Å²	36.6	6%	0.062	20%	0.195	C	C	.	.	S	Bend	trans	70.7	-168.8	174.7	0	0	0	0	0	114.8	R377	G355-R377 PolarHBondContact O-NH1 3.23Å
356	R	98.4	Very high	96.7	Very high	8 Å²	8	42 Å²	42	3%	0.03	22%	0.224	C	C	.	.			trans	-73.7	149	-176	-72	-177.1	-63.9	-85.9	-1.9	111.9	N195 A196 L372 E378 C391 G773	N195-R356 WeakPolarHBondContact CB-O 3.39Å; A196-R356 HydrophobicContact CB-CB 4.18Å; A196-R356 WeakPolarHBondContact CB-O 3.08Å; A196-R356 PolarHBondContact N-O 3.46Å; R356-L372 HydrophobicContact CB-CD2 4.15Å; R356-L372 HydrophobicContact CG-CD1 4.19Å; R356-L372 HydrophobicContact CG-CD2 4.31Å; R356-E378 WeakPolarHBondContact CG-OE2 3.36Å; R356-C391 PolarHBondContact NH1-O 3.28Å; R356-G773 PolarHBondContact NH2-O 3.37Å
357	I	98.1	Very high	96.6	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.23	C	C	.	.			trans	-133.6	129.8	170.4	-57.6	176.2	0	0	0	106.6	N195 L353 L372 A373 C1026	N195-I357 HydrophobicContact CB-CG1 4.24Å; L353-I357 HydrophobicContact CB-CD1 4Å; L353-I357 HydrophobicContact CD1-CD1 3.86Å; I357-L372 CarbonylContact O-C 3.45Å; I357-L372 WeakPolarHBondContact O-CA 3.42Å; I357-A373 PolarHBondContact O-N 3.29Å; I357-C1026 HydrophobicContact CG2-CB 4.16Å
358	V	98.4	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.4	169.5	-175	0	0	0	0	108.9	L175 L178 F179 Q182 A196 Y370 R371 L372	L175-V358 HydrophobicContact CB-CG1 4.34Å; L175-V358 HydrophobicContact CD2-CG1 4.03Å; L175-V358 HydrophobicContact CD2-CG2 3.86Å; L178-V358 HydrophobicContact CB-CG2 3.71Å; L178-V358 HydrophobicContact CD1-CG2 4.35Å; F179-V358 HydrophobicContact CB-CB 4.43Å; F179-V358 HydrophobicContact CB-CG1 4.07Å; F179-V358 HydrophobicContact CD2-CB 4.34Å; F179-V358 HydrophobicContact CD2-CG1 4.01Å; Q182-V358 PolarHBondContact NE2-O 3.41Å; A196-V358 HydrophobicContact CB-CG2 4.36Å; V358-Y370 HydrophobicContact CG1-CD1 4.49Å; V358-R371 CarbonylContact C-O 3.54Å; V358-R371 WeakPolarHBondContact CA-O 3.38Å; V358-L372 HydrophobicContact CG2-CD2 4.23Å
359	G	97.6	Very high	96.8	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	155.1	172.8	0	0	0	0	0	111.7	Y370 R371 I1025	G359-Y370 WeakPolarHBondContact O-CA 3.34Å; G359-R371 PolarHBondContact N-O 3.06Å; G359-R371 PolarHBondContact O-N 3.46Å; G359-I1025 CarbonylContact C-O 3.56Å; G359-I1025 WeakPolarHBondContact CA-O 3.32Å
360	L	96.9	Very high	96.9	Very high	16 Å²	16	40 Å²	40	8%	0.084	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.9	169.8	-168.6	72.4	0	0	0	109.5	P368 Y370 I1025 L1031	L360-P368 HydrophobicContact CD1-CB 3.95Å; L360-P368 HydrophobicContact CD2-CB 4.35Å; L360-P368 HydrophobicContact CG-CB 4.43Å; L360-Y370 HydrophobicContact CD1-CD1 3.72Å; L360-Y370 HydrophobicContact CD1-CE1 3.6Å; L360-Y370 HydrophobicContact CD1-CG 4.47Å; L360-I1025 HydrophobicContact CB-CB 4.09Å; L360-I1025 HydrophobicContact CB-CG2 3.91Å; L360-I1025 HydrophobicContact CD2-CG2 4.35Å; L360-I1025 PolarHBondContact N-O 3.45Å; L360-L1031 HydrophobicContact CD2-CD1 4.24Å; L360-L1031 HydrophobicContact CD2-CD2 3.24Å; L360-L1031 HydrophobicContact CD2-CG 4.25Å
361	S	97.3	Very high	97	Very high	5 Å²	5	40 Å²	40	4%	0.035	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	-159.7	168.6	-164.3	0	0	0	0	108.9	P368 A369 D1016 G1020	S361-P368 WeakPolarHBondContact O-CA 3.32Å; S361-A369 CarbonylContact C-O 3.55Å; S361-A369 PolarHBondContact N-O 2.94Å; S361-A369 PolarHBondContact O-N 3.08Å; S361-D1016 PolarHBondContact OG-O 3.11Å; S361-G1020 WeakPolarHBondContact OG-CA 3.22Å; S361-G1020 PolarHBondContact OG-N 2.97Å; S361-G1020 VanDerWaalsContact OG-N 3.15Å
362	K	96.9	Very high	97.2	Very high	55 Å²	55	30.7 Å²	30.7	24%	0.239	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	154.7	170.1	64	-176.4	-173.8	163.2	0	111.1	N366 K367 D1016 Y1019	K362-N366 WeakPolarHBondContact CD-OD1 3.36Å; K362-N366 PolarHBondContact NZ-OD1 3.38Å; K362-K367 CarbonylContact C-O 3.57Å; K362-K367 WeakPolarHBondContact CA-O 3.46Å; K362-D1016 HydrophobicContact CG-CB 4.16Å; K362-D1016 WeakPolarHBondContact O-CB 3.32Å; K362-D1016 PolarHBondContact O-N 3.39Å; K362-Y1019 HydrophobicContact CB-CD1 4.5Å; K362-Y1019 HydrophobicContact CD-CD1 4.08Å; K362-Y1019 HydrophobicContact CD-CD2 4.14Å; K362-Y1019 HydrophobicContact CD-CE1 4.13Å; K362-Y1019 HydrophobicContact CD-CE2 4.18Å; K362-Y1019 HydrophobicContact CD-CG 4.09Å; K362-Y1019 HydrophobicContact CG-CD1 3.82Å; K362-Y1019 HydrophobicContact CG-CE1 4.15Å; K362-Y1019 HydrophobicContact CG-CG 4.08Å
363	D	97.4	Very high	97.2	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.027	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-88.5	176.8	169.4	80.7	-5.5	0	0	0	112.1	M365 N366 K367 A369 V1012 S1013 R1014	D363-M365 PolarHBondContact O-N 2.75Å; D363-M365 VanDerWaalsContact O-N 3.08Å; D363-M365 VanDerWaalsContact OD1-CA 3.32Å; D363-M365 WeakPolarHBondContact OD1-CA 3.19Å; D363-M365 WeakPolarHBondContact OD1-CB 3.35Å; D363-M365 PolarHBondContact OD1-N 2.97Å; D363-N366 WeakPolarHBondContact O-CA 3.42Å; D363-N366 PolarHBondContact O-N 3.25Å; D363-N366 PolarHBondContact OD1-N 3.4Å; D363-K367 PolarHBondContact N-O 3.35Å; D363-K367 WeakPolarHBondContact OD1-CB 3.48Å; D363-K367 PolarHBondContact OD1-N 2.82Å; D363-A369 HydrophobicContact CB-CB 4.36Å; D363-V1012 HydrophobicContact CB-CB 4.3Å; D363-S1013 WeakPolarHBondContact CB-O 3.33Å; D363-S1013 WeakPolarHBondContact OD2-CB 3.48Å; D363-S1013 PolarHBondContact OD2-N 2.71Å; D363-S1013 PolarHBondContact OD2-OG 3.06Å; D363-R1014 CarbonylContact C-O 3.45Å; D363-R1014 VanDerWaalsContact CA-O 3.31Å; D363-R1014 WeakPolarHBondContact CA-O 3.28Å
364	A	95.6	Very high	97.1	Very high	72 Å²	72	29.7 Å²	29.7	60%	0.595	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-15.3	178.4	0	0	0	0	0	114.3	R1014	A364-R1014 HydrophobicContact CB-CB 4.42Å; A364-R1014 PolarHBondContact N-O 2.75Å
365	M	93.8	Very high	97	Very high	91 Å²	91	31.7 Å²	31.7	45%	0.448	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	12.6	173.9	-59.1	-59.8	-63.4	0	0	112	D363 K367 S1013	D363-M365 PolarHBondContact O-N 2.75Å; D363-M365 VanDerWaalsContact O-N 3.08Å; D363-M365 VanDerWaalsContact OD1-CA 3.32Å; D363-M365 WeakPolarHBondContact OD1-CA 3.19Å; D363-M365 WeakPolarHBondContact OD1-CB 3.35Å; D363-M365 PolarHBondContact OD1-N 2.97Å; M365-K367 HydrophobicContact CB-CG 4.28Å; M365-K367 PolarHBondContact O-N 2.82Å; M365-S1013 VanDerWaalsContact CG-OG 3.29Å; M365-S1013 WeakPolarHBondContact CG-OG 3.42Å
366	N	95.7	Very high	96.9	Very high	113 Å²	113	34.6 Å²	34.6	60%	0.604	19%	0.19	S	C	*	.	S	Bend	trans	58.9	24.9	-174	-65.3	-64	0	0	0	114.4	K362 D363	K362-N366 WeakPolarHBondContact CD-OD1 3.36Å; K362-N366 PolarHBondContact NZ-OD1 3.38Å; D363-N366 WeakPolarHBondContact O-CA 3.42Å; D363-N366 PolarHBondContact O-N 3.25Å; D363-N366 PolarHBondContact OD1-N 3.4Å
367	K	95.5	Very high	96.8	Very high	77 Å²	77	34.4 Å²	34.4	34%	0.335	19%	0.19	S	C	.	.			trans	-88.7	143.8	175.3	-60.7	-171.2	176	-148	0	111.1	K362 D363 M365 A369 E972	K362-K367 CarbonylContact C-O 3.57Å; K362-K367 WeakPolarHBondContact CA-O 3.46Å; D363-K367 PolarHBondContact N-O 3.35Å; D363-K367 WeakPolarHBondContact OD1-CB 3.48Å; D363-K367 PolarHBondContact OD1-N 2.82Å; M365-K367 HydrophobicContact CB-CG 4.28Å; M365-K367 PolarHBondContact O-N 2.82Å; K367-A369 PolarHBondContact O-N 3.43Å; K367-E972 IonicContact NZ-OE1 3.36Å; K367-E972 PolarHBondContact NZ-OE1 3.27Å; K367-E972 IonicContact NZ-OE2 2.67Å; K367-E972 PolarHBondContact NZ-OE2 2.93Å
368	P	96.2	Very high	96.7	Very high	99 Å²	99	35 Å²	35	64%	0.643	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58	132.2	175.3	-22.3	32.5	0	0	0	111.9	L360 S361	L360-P368 HydrophobicContact CD1-CB 3.95Å; L360-P368 HydrophobicContact CD2-CB 4.35Å; L360-P368 HydrophobicContact CG-CB 4.43Å; S361-P368 WeakPolarHBondContact O-CA 3.32Å
369	A	97.5	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	142.8	179.8	0	0	0	0	0	111	S361 D363 K367 V1012 L1015	S361-A369 CarbonylContact C-O 3.55Å; S361-A369 PolarHBondContact N-O 2.94Å; S361-A369 PolarHBondContact O-N 3.08Å; D363-A369 HydrophobicContact CB-CB 4.36Å; K367-A369 PolarHBondContact O-N 3.43Å; A369-V1012 HydrophobicContact CB-CB 4.21Å; A369-V1012 HydrophobicContact CB-CG1 4.05Å; A369-V1012 HydrophobicContact CB-CG2 4.15Å; A369-L1015 HydrophobicContact CB-CD1 4.05Å; A369-L1015 HydrophobicContact CB-CD2 4.18Å; A369-L1015 HydrophobicContact CB-CG 3.99Å
370	Y	98.4	Very high	96.2	Very high	39 Å²	39	37.7 Å²	37.7	15%	0.153	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	145.4	-178.1	-55.2	-72.1	0	0	0	112.1	Q172 L175 E176 F179 V358 G359 L360 L1015	Q172-Y370 PolarHBondContact NE2-O 3.24Å; L175-Y370 WeakPolarHBondContact CD1-O 3.45Å; E176-Y370 HydrophobicContact CB-CD2 3.95Å; E176-Y370 HydrophobicContact CB-CE2 3.65Å; E176-Y370 HydrophobicContact CG-CE2 3.72Å; F179-Y370 HydrophobicContact CB-CD1 4.29Å; F179-Y370 HydrophobicContact CB-CE1 4.26Å; F179-Y370 HydrophobicContact CD1-CD1 4.46Å; F179-Y370 AromaticContact CD1-CE1 3.78Å; F179-Y370 HydrophobicContact CD1-CE1 3.78Å; F179-Y370 HydrophobicContact CD2-CD1 4.06Å; F179-Y370 HydrophobicContact CD2-CE1 4.16Å; F179-Y370 HydrophobicContact CE1-CE1 4.04Å; F179-Y370 HydrophobicContact CE2-CD1 4.44Å; F179-Y370 HydrophobicContact CE2-CE1 4.38Å; F179-Y370 HydrophobicContact CG-CD1 4.04Å; F179-Y370 AromaticContact CG-CE1 3.83Å; F179-Y370 HydrophobicContact CG-CE1 3.83Å; F179-Y370 HydrophobicContact CZ-CE1 4.34Å; V358-Y370 HydrophobicContact CG1-CD1 4.49Å; G359-Y370 WeakPolarHBondContact O-CA 3.34Å; L360-Y370 HydrophobicContact CD1-CD1 3.72Å; L360-Y370 HydrophobicContact CD1-CE1 3.6Å; L360-Y370 HydrophobicContact CD1-CG 4.47Å; Y370-L1015 VanDerWaalsContact O-CD2 3.26Å; Y370-L1015 WeakPolarHBondContact O-CD2 3.49Å
371	R	98.3	Very high	95.9	Very high	7 Å²	7	41.1 Å²	41.1	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	167.5	169.4	55.3	172.6	-72.7	-98.2	-12	112.5	P168 V358 G359 A373 L1015 D1017 D1021	P168-R371 HydrophobicContact CB-CB 4.34Å; V358-R371 CarbonylContact C-O 3.54Å; V358-R371 WeakPolarHBondContact CA-O 3.38Å; G359-R371 PolarHBondContact N-O 3.06Å; G359-R371 PolarHBondContact O-N 3.46Å; R371-A373 PolarHBondContact O-N 3.43Å; R371-L1015 HydrophobicContact CB-CD2 3.55Å; R371-L1015 HydrophobicContact CG-CD2 4.04Å; R371-D1017 WeakPolarHBondContact CD-OD1 3.43Å; R371-D1017 IonicContact CZ-OD1 3.08Å; R371-D1017 IonicContact NE-OD1 2.65Å; R371-D1017 PolarHBondContact NE-OD1 3.26Å; R371-D1017 PolarHBondContact NH1-O 3Å; R371-D1017 IonicContact NH2-OD1 3.6Å; R371-D1021 IonicContact CZ-OD1 3.21Å; R371-D1021 VanDerWaalsContact NH1-CG 3.34Å; R371-D1021 IonicContact NH1-OD1 3.8Å; R371-D1021 PolarHBondContact NH1-OD1 2.84Å; R371-D1021 IonicContact NH1-OD2 2.67Å; R371-D1021 IonicContact NH2-OD1 3.59Å; R371-D1021 IonicContact NH2-OD2 3.88Å
372	L	98	Very high	95.7	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	119.8	163.2	-60.1	-176.3	0	0	0	109.7	T164 P165 L175 R356 I357 V358 Q375	T164-L372 HydrophobicContact CG2-CD1 3.93Å; P165-L372 HydrophobicContact CG-CD1 4.24Å; P165-L372 HydrophobicContact CG-CD2 3.99Å; P165-L372 HydrophobicContact CG-CG 4.12Å; L175-L372 HydrophobicContact CD2-CD2 4Å; L175-L372 HydrophobicContact CD2-CG 4.43Å; R356-L372 HydrophobicContact CB-CD2 4.15Å; R356-L372 HydrophobicContact CG-CD1 4.19Å; R356-L372 HydrophobicContact CG-CD2 4.31Å; I357-L372 CarbonylContact O-C 3.45Å; I357-L372 WeakPolarHBondContact O-CA 3.42Å; V358-L372 HydrophobicContact CG2-CD2 4.23Å; L372-Q375 HydrophobicContact CB-CG 3.95Å; L372-Q375 WeakPolarHBondContact O-CG 3.46Å; L372-Q375 PolarHBondContact O-NE2 3.34Å
373	A	97.2	Very high	95.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	24%	0.239	C	C	.	.			trans	-100.9	153.9	-176.1	0	0	0	0	0	113	I357 R371 Q375 R377 L1024	I357-A373 PolarHBondContact O-N 3.29Å; R371-A373 PolarHBondContact O-N 3.43Å; A373-Q375 VanDerWaalsContact C-N 3.26Å; A373-Q375 PolarHBondContact O-N 3.33Å; A373-R377 PolarHBondContact O-NH2 3.27Å; A373-L1024 HydrophobicContact CB-CD1 3.79Å
374	L	96.1	Very high	95.3	Very high	22 Å²	22	47.6 Å²	47.6	12%	0.115	25%	0.246	C	C	.	.			trans	51.1	41.8	179.7	-58.7	-178.8	0	0	0	113.3	T350 T376 R377 D1021 L1024	T350-L374 HydrophobicContact CG2-CD1 4.21Å; L374-T376 PolarHBondContact O-N 2.88Å; L374-T376 VanDerWaalsContact O-N 3.07Å; L374-R377 VanDerWaalsContact CB-NE 3.27Å; L374-R377 WeakPolarHBondContact O-CG 3.5Å; L374-R377 PolarHBondContact O-N 3.02Å; L374-R377 VanDerWaalsContact O-N 3.15Å; L374-R377 PolarHBondContact O-NE 2.89Å; L374-R377 PolarHBondContact O-NH2 2.91Å; L374-D1021 HydrophobicContact CD2-CB 4.19Å; L374-D1021 PolarHBondContact N-OD1 3.44Å; L374-L1024 HydrophobicContact CD1-CD1 4.29Å; L374-L1024 HydrophobicContact CD1-CD2 3.69Å; L374-L1024 HydrophobicContact CG-CD1 4.08Å; L374-L1024 HydrophobicContact CG-CD2 4.32Å
375	Q	96.2	Very high	95.3	Very high	41 Å²	41	50.6 Å²	50.6	19%	0.192	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-61.5	-19.7	-174.6	-65	-171.5	81.5	0	0	112.9	L372 A373 R377 E378 I381	L372-Q375 HydrophobicContact CB-CG 3.95Å; L372-Q375 WeakPolarHBondContact O-CG 3.46Å; L372-Q375 PolarHBondContact O-NE2 3.34Å; A373-Q375 VanDerWaalsContact C-N 3.26Å; A373-Q375 PolarHBondContact O-N 3.33Å; Q375-R377 PolarHBondContact O-N 3.29Å; Q375-E378 WeakPolarHBondContact O-CB 3.3Å; Q375-E378 PolarHBondContact O-N 3.34Å; Q375-I381 HydrophobicContact CB-CD1 4.12Å
376	T	95.2	Very high	95.4	Very high	67 Å²	67	46.6 Å²	46.6	41%	0.411	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-60	-13.3	175.2	61.8	0	0	0	0	113.8	L374 E378 I381 R382	L374-T376 PolarHBondContact O-N 2.88Å; L374-T376 VanDerWaalsContact O-N 3.07Å; T376-E378 VanDerWaalsContact C-N 3.33Å; T376-I381 HydrophobicContact CG2-CD1 4.34Å; T376-I381 HydrophobicContact CG2-CG2 4.46Å; T376-R382 WeakPolarHBondContact O-CD 3.44Å; T376-R382 WeakPolarHBondContact O-CG 3.31Å; T376-R382 PolarHBondContact O-NE 3.15Å
377	R	97.2	Very high	95.5	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.019	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-73.9	-23.5	172.1	-66.6	174.8	-65.6	101.4	9.2	113.3	R351 L353 G355 A373 L374 Q375 A386 T387	R351-R377 WeakPolarHBondContact O-CD 3.26Å; R351-R377 WeakPolarHBondContact O-CG 3.18Å; L353-R377 PolarHBondContact O-NH1 2.99Å; G355-R377 PolarHBondContact O-NH1 3.23Å; A373-R377 PolarHBondContact O-NH2 3.27Å; L374-R377 VanDerWaalsContact CB-NE 3.27Å; L374-R377 WeakPolarHBondContact O-CG 3.5Å; L374-R377 PolarHBondContact O-N 3.02Å; L374-R377 VanDerWaalsContact O-N 3.15Å; L374-R377 PolarHBondContact O-NE 2.89Å; L374-R377 PolarHBondContact O-NH2 2.91Å; Q375-R377 PolarHBondContact O-N 3.29Å; R377-A386 VanDerWaalsContact O-CA 3.32Å; R377-A386 WeakPolarHBondContact O-CA 3.25Å; R377-A386 WeakPolarHBondContact O-CB 3.34Å; R377-T387 HydrophobicContact CB-CG2 3.94Å; R377-T387 HydrophobicContact CG-CG2 4.21Å; R377-T387 PolarHBondContact O-N 3.27Å; R377-T387 PolarHBondContact O-OG1 2.94Å
378	E	96.3	Very high	95.6	Very high	13 Å²	13	38.2 Å²	38.2	6%	0.061	19%	0.187	C	C	.	.	S	Bend	trans	-88.7	161.1	-166.1	-59.4	-177.3	-141.1	0	0	112.8	R356 Q375 T376 H380 I381 R382	R356-E378 WeakPolarHBondContact CG-OE2 3.36Å; Q375-E378 WeakPolarHBondContact O-CB 3.3Å; Q375-E378 PolarHBondContact O-N 3.34Å; T376-E378 VanDerWaalsContact C-N 3.33Å; E378-H380 VanDerWaalsContact C-N 3.28Å; E378-H380 PolarHBondContact O-N 3.17Å; E378-H380 IonicContact OE2-CE1 2.87Å; E378-H380 IonicContact OE2-ND1 2.78Å; E378-I381 PolarHBondContact O-N 2.89Å; E378-R382 PolarHBondContact O-N 3.01Å
379	Q	93.4	Very high	95.7	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-56.8	-35.1	-173.6	60.6	75.9	18.3	0	0	114.1	I381 R383 A386 C391 H661 G662 T663 A666	Q379-I381 PolarHBondContact O-N 2.93Å; Q379-R383 WeakPolarHBondContact O-CA 3.27Å; Q379-R383 PolarHBondContact O-N 3Å; Q379-A386 HydrophobicContact CB-CB 4.35Å; Q379-C391 HydrophobicContact CG-CB 4.31Å; Q379-C391 PolarHBondContact NE2-SG 3.26Å; Q379-C391 VanDerWaalsContact NE2-SG 3.37Å; Q379-H661 PolarHBondContact NE2-CE1 3.02Å; Q379-H661 PolarHBondContact OE1-CE1 2.9Å; Q379-G662 WeakPolarHBondContact O-CA 3.22Å; Q379-T663 HydrophobicContact CB-CG2 4.48Å; Q379-T663 HydrophobicContact CG-CG2 3.79Å; Q379-A666 HydrophobicContact CB-CB 4.49Å
380	H	90.1	Very high	95.7	Very high	56 Å²	56	34.1 Å²	34.1	26%	0.259	16%	0.16	S	C	.	.	H	α-helix	trans	-70.9	-21.2	-174.2	64.9	-84.7	0	0	0	112.8	E378	E378-H380 VanDerWaalsContact C-N 3.28Å; E378-H380 PolarHBondContact O-N 3.17Å; E378-H380 IonicContact OE2-CE1 2.87Å; E378-H380 IonicContact OE2-ND1 2.78Å
381	I	91.8	Very high	95.7	Very high	89 Å²	89	33 Å²	33	46%	0.456	16%	0.158	S	C	.	.	H	α-helix	trans	-102.5	-52.5	173.7	-65.1	172.8	0	0	0	110.6	Q375 T376 E378 Q379	Q375-I381 HydrophobicContact CB-CD1 4.12Å; T376-I381 HydrophobicContact CG2-CD1 4.34Å; T376-I381 HydrophobicContact CG2-CG2 4.46Å; E378-I381 PolarHBondContact O-N 2.89Å; Q379-I381 PolarHBondContact O-N 2.93Å
382	R	93.3	Very high	95.6	Very high	122 Å²	122	33 Å²	33	46%	0.46	16%	0.158	S	C	.	.	H	α-helix	trans	-94	-7.3	-169	-96.2	-169	-171.4	-179.1	0.3	115.9	T376 E378 D384 K385 A386	T376-R382 WeakPolarHBondContact O-CD 3.44Å; T376-R382 WeakPolarHBondContact O-CG 3.31Å; T376-R382 PolarHBondContact O-NE 3.15Å; E378-R382 PolarHBondContact O-N 3.01Å; R382-D384 PolarHBondContact O-N 3.49Å; R382-K385 HydrophobicContact CB-CB 4.28Å; R382-K385 WeakPolarHBondContact CD-O 3.49Å; R382-K385 HydrophobicContact CG-CB 4.4Å; R382-K385 WeakPolarHBondContact O-CA 3.46Å; R382-K385 WeakPolarHBondContact O-CB 3.45Å; R382-K385 PolarHBondContact O-N 3.5Å; R382-A386 HydrophobicContact CB-CB 4.19Å
383	R	94.9	Very high	95.5	Very high	47 Å²	47	33 Å²	33	18%	0.177	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	51.5	-122.9	174.5	-58.2	-179.1	71.5	80	-0.8	111.6	Q379 K385 A386 A660 P665	Q379-R383 WeakPolarHBondContact O-CA 3.27Å; Q379-R383 PolarHBondContact O-N 3Å; R383-K385 PolarHBondContact O-N 3.29Å; R383-K385 VanDerWaalsContact O-N 3.11Å; R383-A386 VanDerWaalsContact O-CB 3.23Å; R383-A386 WeakPolarHBondContact O-CB 3.19Å; R383-A386 PolarHBondContact O-N 3.01Å; R383-A386 VanDerWaalsContact O-N 3.1Å; R383-A660 PolarHBondContact NH1-O 3.3Å; R383-A660 PolarHBondContact NH2-O 3.07Å; R383-A660 VanDerWaalsContact NH2-O 3.08Å; R383-P665 HydrophobicContact CB-CB 4.36Å; R383-P665 HydrophobicContact CB-CG 3.66Å; R383-P665 HydrophobicContact CG-CG 4.31Å
384	D	91.4	Very high	95.6	Very high	31 Å²	31	32.9 Å²	32.9	17%	0.166	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-68	-0.8	176.1	64.1	-62.5	0	0	0	114.7	R382 P665 Q669 V675	R382-D384 PolarHBondContact O-N 3.49Å; D384-P665 HydrophobicContact CB-CB 3.99Å; D384-Q669 PolarHBondContact O-NE2 2.91Å; D384-Q669 PolarHBondContact O-OE1 3.31Å; D384-V675 HydrophobicContact CB-CG2 4.3Å
385	K	94.7	Very high	95.7	Very high	135 Å²	135	31.9 Å²	31.9	59%	0.587	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-107.7	5.6	172.5	-55.5	-58	-177.3	-125.2	0	112.6	R382 R383	R382-K385 HydrophobicContact CB-CB 4.28Å; R382-K385 WeakPolarHBondContact CD-O 3.49Å; R382-K385 HydrophobicContact CG-CB 4.4Å; R382-K385 WeakPolarHBondContact O-CA 3.46Å; R382-K385 WeakPolarHBondContact O-CB 3.45Å; R382-K385 PolarHBondContact O-N 3.5Å; R383-K385 PolarHBondContact O-N 3.29Å; R383-K385 VanDerWaalsContact O-N 3.11Å
386	A	96.7	Very high	95.8	Very high	8 Å²	8	30.1 Å²	30.1	7%	0.066	15%	0.145	C	C	.	.	S	Bend	trans	-66.2	160	177.9	0	0	0	0	0	111.5	R377 Q379 R382 R383 S388	R377-A386 VanDerWaalsContact O-CA 3.32Å; R377-A386 WeakPolarHBondContact O-CA 3.25Å; R377-A386 WeakPolarHBondContact O-CB 3.34Å; Q379-A386 HydrophobicContact CB-CB 4.35Å; R382-A386 HydrophobicContact CB-CB 4.19Å; R383-A386 VanDerWaalsContact O-CB 3.23Å; R383-A386 WeakPolarHBondContact O-CB 3.19Å; R383-A386 PolarHBondContact O-N 3.01Å; R383-A386 VanDerWaalsContact O-N 3.1Å; A386-S388 VanDerWaalsContact C-N 3.26Å; A386-S388 WeakPolarHBondContact CB-O 3.34Å; A386-S388 PolarHBondContact O-N 2.99Å
387	T	97.2	Very high	96	Very high	6 Å²	6	27 Å²	27	4%	0.037	13%	0.125	C	C	.	.	S	Bend	trans	-72.3	-22	178.1	56.4	0	0	0	0	112.6	R214 L353 R377	R214-T387 PolarHBondContact NH1-O 2.92Å; R214-T387 PolarHBondContact NH2-O 3.4Å; L353-T387 PolarHBondContact O-OG1 3.46Å; L353-T387 VanDerWaalsContact O-OG1 3.08Å; R377-T387 HydrophobicContact CB-CG2 3.94Å; R377-T387 HydrophobicContact CG-CG2 4.21Å; R377-T387 PolarHBondContact O-N 3.27Å; R377-T387 PolarHBondContact O-OG1 2.94Å
388	S	98	Very high	96.1	Very high	8 Å²	8	26.8 Å²	26.8	6%	0.056	12%	0.124	C	C	.	.			trans	-161	166.6	176.2	175.3	0	0	0	0	109.3	E207 A386 I390	E207-S388 VanDerWaalsContact CD-OG 3.29Å; E207-S388 WeakPolarHBondContact OE1-CB 3.32Å; E207-S388 PolarHBondContact OE1-OG 3.42Å; A386-S388 VanDerWaalsContact C-N 3.26Å; A386-S388 WeakPolarHBondContact CB-O 3.34Å; A386-S388 PolarHBondContact O-N 2.99Å; S388-I390 VanDerWaalsContact C-N 3.29Å; S388-I390 PolarHBondContact OG-N 3.27Å
389	N	97.9	Very high	96.2	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	12%	0.122	C	C	.	.	S	Bend	trans	-81.8	-6.1	170.3	73.2	-19.9	0	0	0	113.1	C391 A629 T663 A666 S667 M670	N389-C391 PolarHBondContact O-N 2.87Å; N389-A629 HydrophobicContact CB-CB 4.35Å; N389-A629 PolarHBondContact ND2-O 2.72Å; N389-A629 VanDerWaalsContact O-CB 3.22Å; N389-A629 WeakPolarHBondContact O-CB 3.4Å; N389-T663 WeakPolarHBondContact O-CG2 3.3Å; N389-A666 HydrophobicContact CB-CB 3.67Å; N389-S667 PolarHBondContact ND2-OG 3.35Å; N389-M670 HydrophobicContact CB-CE 3.89Å; N389-M670 HydrophobicContact CB-SD 4.37Å; N389-M670 VanDerWaalsContact CG-CE 3.44Å; N389-M670 VanDerWaalsContact CG-SD 3.54Å; N389-M670 WeakPolarHBondContact OD1-CE 3.49Å; N389-M670 PolarHBondContact OD1-SD 3.41Å
390	I	97.7	Very high	96.5	Very high	10 Å²	10	26.2 Å²	26.2	5%	0.051	12%	0.122	C	C	.	.			trans	-58.2	133.9	-174.8	-164.7	173.5	0	0	0	112.1	L198 L199 S388 A393	L198-I390 HydrophobicContact CB-CD1 4.5Å; L198-I390 HydrophobicContact CD2-CD1 3.63Å; L199-I390 HydrophobicContact CD1-CD1 4.48Å; L199-I390 HydrophobicContact CD2-CD1 4.31Å; L199-I390 HydrophobicContact CG-CD1 3.89Å; L199-I390 HydrophobicContact CG-CG1 4.38Å; S388-I390 VanDerWaalsContact C-N 3.29Å; S388-I390 PolarHBondContact OG-N 3.27Å; I390-A393 HydrophobicContact CD1-CB 3.9Å; I390-A393 HydrophobicContact CG1-CB 4.45Å
391	C	97.4	Very high	96.9	Very high	16 Å²	16	23.5 Å²	23.5	11%	0.108	11%	0.109	C	C	.	.			trans	-125.8	-83.1	174.4	-176.4	0	0	0	0	109.4	R356 Q379 N389 A393 T663	R356-C391 PolarHBondContact NH1-O 3.28Å; Q379-C391 HydrophobicContact CG-CB 4.31Å; Q379-C391 PolarHBondContact NE2-SG 3.26Å; Q379-C391 VanDerWaalsContact NE2-SG 3.37Å; N389-C391 PolarHBondContact O-N 2.87Å; C391-A393 PolarHBondContact O-N 3.13Å; C391-T663 HydrophobicContact CB-CG2 3.75Å
392	T	96.1	Very high	97.2	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.037	9%	0.088	C	C	.	.	S	Bend	trans	-61.7	130.9	165.1	-46.6	0	0	0	0	109	Y163 H763	Y163-T392 HydrophobicContact CE2-CG2 4.49Å; Y163-T392 PolarHBondContact OH-OG1 3.25Å; T392-H763 PolarHBondContact OG1-NE2 3.37Å; T392-H763 VanDerWaalsContact OG1-NE2 3.09Å
393	A	97.5	Very high	97.5	Very high	3 Å²	3	13.5 Å²	13.5	3%	0.025	7%	0.066	C	C	.	.			trans	-118.9	-127.5	177	0	0	0	0	0	109.3	I390 C391 G773 G774	I390-A393 HydrophobicContact CD1-CB 3.9Å; I390-A393 HydrophobicContact CG1-CB 4.45Å; C391-A393 PolarHBondContact O-N 3.13Å; A393-G773 PolarHBondContact N-O 3.32Å; A393-G774 VanDerWaalsContact O-CA 3.25Å; A393-G774 WeakPolarHBondContact O-CA 3.42Å
394	Q	98.5	Very high	97.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.058	C	C	.	.			trans	-137.9	41.9	-176	-58.4	-69.3	5.7	0	0	111.9	S197 L198 L199 H339 A340 L396 L397 A398	S197-Q394 PolarHBondContact OG-N 2.79Å; L198-Q394 WeakPolarHBondContact O-CG 3.36Å; L199-Q394 PolarHBondContact O-NE2 3.49Å; H339-Q394 WeakPolarHBondContact O-CG 3.36Å; A340-Q394 HydrophobicContact CB-CB 3.94Å; Q394-L396 PolarHBondContact O-N 2.8Å; Q394-L397 HydrophobicContact CB-CB 4.48Å; Q394-L397 HydrophobicContact CB-CD2 4.42Å; Q394-L397 PolarHBondContact O-N 3.4Å; Q394-L397 VanDerWaalsContact O-N 3.09Å; Q394-A398 PolarHBondContact O-N 2.87Å
395	A	98.7	Very high	98	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.008	5%	0.05	C	C	.	.	H	α-helix	trans	-58.2	-44.1	-168	0	0	0	0	0	114.4	L178 L397 A398 N399 G774	L178-A395 HydrophobicContact CD1-CB 4.47Å; L178-A395 HydrophobicContact CD2-CB 4.34Å; A395-L397 PolarHBondContact O-N 2.76Å; A395-A398 WeakPolarHBondContact O-CB 3.23Å; A395-A398 PolarHBondContact O-N 2.79Å; A395-N399 PolarHBondContact O-N 2.73Å; A395-N399 PolarHBondContact O-ND2 3.33Å; A395-G774 PolarHBondContact N-O 2.89Å
396	L	98.8	Very high	98.2	Very high	4 Å²	4	3.4 Å²	3.4	2%	0.021	2%	0.022	C	C	.	.	H	α-helix	trans	-58.7	-39.6	177.2	178.3	65.1	0	0	0	111.5	I153 F154 W159 Q394 N399 M400 G771 G774	I153-L396 HydrophobicContact CG2-CD1 3.83Å; F154-L396 HydrophobicContact CD2-CD2 4.4Å; W159-L396 HydrophobicContact CB-CD1 4.25Å; Q394-L396 PolarHBondContact O-N 2.8Å; L396-N399 WeakPolarHBondContact O-CB 3.4Å; L396-N399 PolarHBondContact O-N 3.41Å; L396-M400 WeakPolarHBondContact O-CG 3.41Å; L396-M400 PolarHBondContact O-N 3.36Å; L396-G771 WeakPolarHBondContact CB-O 3.45Å; L396-G771 PolarHBondContact N-O 2.73Å; L396-G774 WeakPolarHBondContact CB-O 3.47Å; L396-G774 PolarHBondContact N-O 3.23Å
397	L	98.8	Very high	98.3	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-75.6	-34.2	-178	-61	-46.8	0	0	0	111	I331 P338 A340 Q394 A395 N399 M400 A401 P775	I331-L397 HydrophobicContact CD1-CB 4.11Å; I331-L397 WeakPolarHBondContact CD1-O 3.17Å; I331-L397 HydrophobicContact CG2-CD1 4.11Å; P338-L397 HydrophobicContact CB-CD2 3.8Å; P338-L397 HydrophobicContact CB-CG 4.05Å; P338-L397 HydrophobicContact CG-CD1 4.08Å; P338-L397 HydrophobicContact CG-CD2 3.8Å; P338-L397 HydrophobicContact CG-CG 3.96Å; A340-L397 HydrophobicContact CB-CB 4.19Å; Q394-L397 HydrophobicContact CB-CB 4.48Å; Q394-L397 HydrophobicContact CB-CD2 4.42Å; Q394-L397 PolarHBondContact O-N 3.4Å; Q394-L397 VanDerWaalsContact O-N 3.09Å; A395-L397 PolarHBondContact O-N 2.76Å; L397-N399 VanDerWaalsContact C-N 3.34Å; L397-M400 HydrophobicContact CD1-SD 3.89Å; L397-M400 PolarHBondContact O-N 3.31Å; L397-A401 PolarHBondContact O-N 3.49Å; L397-P775 HydrophobicContact CD2-CB 3.91Å; L397-P775 HydrophobicContact CD2-CG 4.03Å
398	A	98.9	Very high	98.4	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.4	-42.9	170.4	0	0	0	0	0	111.2	L178 Y181 A340 Q394 A395 A401 A402	L178-A398 HydrophobicContact CD2-CB 3.77Å; Y181-A398 HydrophobicContact CD1-CB 4.08Å; Y181-A398 HydrophobicContact CD2-CB 3.79Å; Y181-A398 WeakPolarHBondContact CD2-O 3.36Å; Y181-A398 HydrophobicContact CE1-CB 4.19Å; Y181-A398 HydrophobicContact CE2-CB 3.89Å; Y181-A398 HydrophobicContact CG-CB 3.87Å; A340-A398 HydrophobicContact CB-CB 3.78Å; Q394-A398 PolarHBondContact O-N 2.87Å; A395-A398 WeakPolarHBondContact O-CB 3.23Å; A395-A398 PolarHBondContact O-N 2.79Å; A398-A401 PolarHBondContact O-N 2.99Å; A398-A402 PolarHBondContact O-N 3.1Å
399	N	98.8	Very high	98.4	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.011	3%	0.033	C	C	.	.	H	α-helix	trans	-62.4	-42.5	174.4	-69.1	-24.2	0	0	0	111.8	W159 S177 L178 A395 L396 L397 A401 A402 F403	W159-N399 HydrophobicContact CZ3-CB 4.33Å; S177-N399 VanDerWaalsContact CB-OD1 3.27Å; S177-N399 WeakPolarHBondContact CB-OD1 3.39Å; S177-N399 PolarHBondContact OG-OD1 3.38Å; L178-N399 WeakPolarHBondContact CD2-OD1 3.26Å; L178-N399 WeakPolarHBondContact CG-OD1 3.09Å; L178-N399 PolarHBondContact N-OD1 2.65Å; A395-N399 PolarHBondContact O-N 2.73Å; A395-N399 PolarHBondContact O-ND2 3.33Å; L396-N399 WeakPolarHBondContact O-CB 3.4Å; L396-N399 PolarHBondContact O-N 3.41Å; L397-N399 VanDerWaalsContact C-N 3.34Å; N399-A401 PolarHBondContact O-N 2.85Å; N399-A402 WeakPolarHBondContact O-CB 3.47Å; N399-A402 PolarHBondContact O-N 3.2Å; N399-F403 HydrophobicContact CB-CE2 4.47Å; N399-F403 WeakPolarHBondContact O-CD2 3.43Å; N399-F403 PolarHBondContact O-N 2.86Å
400	M	98.9	Very high	98.5	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.01	4%	0.037	C	C	.	.	H	α-helix	trans	-59.8	-45.4	175	-72.4	177.5	69.3	0	0	112.1	T145 I149 I153 F154 I331 L396 L397 A402 F403 Y404	T145-M400 HydrophobicContact CG2-CE 4.27Å; I149-M400 HydrophobicContact CG2-CB 4.3Å; I149-M400 HydrophobicContact CG2-CE 4.38Å; I149-M400 HydrophobicContact CG2-CG 4.14Å; I153-M400 HydrophobicContact CB-CG 4.48Å; I153-M400 HydrophobicContact CG2-CG 3.86Å; F154-M400 HydrophobicContact CB-CE 3.99Å; F154-M400 HydrophobicContact CB-SD 3.91Å; F154-M400 HydrophobicContact CD2-CE 4.28Å; F154-M400 HydrophobicContact CD2-SD 3.7Å; F154-M400 HydrophobicContact CG-CE 4.38Å; F154-M400 HydrophobicContact CG-SD 4.22Å; I331-M400 HydrophobicContact CG1-CB 4.28Å; L396-M400 WeakPolarHBondContact O-CG 3.41Å; L396-M400 PolarHBondContact O-N 3.36Å; L397-M400 HydrophobicContact CD1-SD 3.89Å; L397-M400 PolarHBondContact O-N 3.31Å; M400-A402 VanDerWaalsContact C-N 3.33Å; M400-A402 PolarHBondContact O-N 3.36Å; M400-F403 PolarHBondContact O-N 3.18Å; M400-Y404 PolarHBondContact O-N 2.91Å
401	A	98.9	Very high	98.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.1	-37.1	176.2	0	0	0	0	0	112.3	Y181 F329 I331 L397 A398 N399 Y404 A405	Y181-A401 HydrophobicContact CD2-CB 4.26Å; Y181-A401 HydrophobicContact CE2-CB 4.11Å; F329-A401 HydrophobicContact CB-CB 4.05Å; I331-A401 HydrophobicContact CD1-CB 4.21Å; L397-A401 PolarHBondContact O-N 3.49Å; A398-A401 PolarHBondContact O-N 2.99Å; N399-A401 PolarHBondContact O-N 2.85Å; A401-Y404 WeakPolarHBondContact O-CB 3.46Å; A401-Y404 PolarHBondContact O-N 3.41Å; A401-A405 PolarHBondContact O-N 3.07Å
402	A	98.8	Very high	98.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.6	-45.3	173.6	0	0	0	0	0	111.7	N180 A398 N399 M400 Y404 A405 V406	N180-A402 HydrophobicContact CB-CB 4.19Å; A398-A402 PolarHBondContact O-N 3.1Å; N399-A402 WeakPolarHBondContact O-CB 3.47Å; N399-A402 PolarHBondContact O-N 3.2Å; M400-A402 VanDerWaalsContact C-N 3.33Å; M400-A402 PolarHBondContact O-N 3.36Å; A402-Y404 VanDerWaalsContact C-N 3.31Å; A402-Y404 PolarHBondContact O-N 3.07Å; A402-A405 PolarHBondContact O-N 2.86Å; A402-V406 WeakPolarHBondContact O-CB 3.37Å; A402-V406 VanDerWaalsContact O-CG2 3.32Å; A402-V406 WeakPolarHBondContact O-CG2 3.49Å; A402-V406 PolarHBondContact O-N 2.88Å
403	F	98.9	Very high	98.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.8	-34.1	175.3	-73.1	-59.1	0	0	0	112.7	I149 I153 W159 N399 M400 V406 Y407 L544 Y547 M548 L551	I149-F403 HydrophobicContact CD1-CB 3.72Å; I149-F403 HydrophobicContact CG1-CB 4.1Å; I149-F403 HydrophobicContact CG2-CB 4.45Å; I153-F403 HydrophobicContact CD1-CD2 3.79Å; I153-F403 HydrophobicContact CD1-CE2 3.38Å; I153-F403 HydrophobicContact CD1-CZ 4.01Å; I153-F403 HydrophobicContact CG1-CD2 3.8Å; I153-F403 HydrophobicContact CG1-CE2 3.94Å; W159-F403 AromaticContact CH2-CE2 3.61Å; W159-F403 HydrophobicContact CH2-CE2 3.61Å; W159-F403 AromaticContact CH2-CZ 3.53Å; W159-F403 HydrophobicContact CH2-CZ 3.53Å; W159-F403 AromaticContact CZ2-CE2 3.85Å; W159-F403 HydrophobicContact CZ2-CE2 3.85Å; W159-F403 AromaticContact CZ2-CZ 3.65Å; W159-F403 HydrophobicContact CZ2-CZ 3.65Å; W159-F403 HydrophobicContact CZ3-CE2 4.05Å; W159-F403 HydrophobicContact CZ3-CZ 4.39Å; N399-F403 HydrophobicContact CB-CE2 4.47Å; N399-F403 WeakPolarHBondContact O-CD2 3.43Å; N399-F403 PolarHBondContact O-N 2.86Å; M400-F403 PolarHBondContact O-N 3.18Å; F403-V406 PolarHBondContact O-N 2.71Å; F403-Y407 VanDerWaalsContact O-CB 3.25Å; F403-Y407 WeakPolarHBondContact O-CB 3.1Å; F403-Y407 PolarHBondContact O-N 2.96Å; F403-L544 HydrophobicContact CD1-CD1 4.22Å; F403-Y547 HydrophobicContact CD1-CD1 4.18Å; F403-Y547 HydrophobicContact CD1-CE1 4.31Å; F403-Y547 AromaticContact CE1-CD1 3.72Å; F403-Y547 HydrophobicContact CE1-CD1 3.72Å; F403-Y547 AromaticContact CE1-CE1 3.78Å; F403-Y547 HydrophobicContact CE1-CE1 3.78Å; F403-M548 HydrophobicContact CD1-CG 3.76Å; F403-M548 HydrophobicContact CD1-SD 4.47Å; F403-M548 HydrophobicContact CD2-CG 4.45Å; F403-M548 HydrophobicContact CE1-CB 4.45Å; F403-M548 HydrophobicContact CE1-CG 3.58Å; F403-M548 HydrophobicContact CE2-CG 4.3Å; F403-M548 HydrophobicContact CG-CG 4.21Å; F403-M548 HydrophobicContact CG-SD 4.41Å; F403-M548 HydrophobicContact CZ-CB 4.45Å; F403-M548 HydrophobicContact CZ-CG 3.86Å; F403-L551 HydrophobicContact CE1-CD1 4.19Å; F403-L551 HydrophobicContact CZ-CD1 3.98Å
404	Y	98.9	Very high	98.7	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-60.9	-46.9	172.8	-177.3	-89.8	0	0	0	111.2	P146 F329 G330 M400 A401 A402 Y407 H408 L413 I416 E488	P146-Y404 HydrophobicContact CG-CD2 3.9Å; P146-Y404 HydrophobicContact CG-CE2 4.28Å; F329-Y404 VanDerWaalsContact C-CG 3.41Å; F329-Y404 VanDerWaalsContact CA-CD1 3.48Å; F329-Y404 HydrophobicContact CB-CD1 3.55Å; F329-Y404 HydrophobicContact CB-CE1 4.08Å; F329-Y404 HydrophobicContact CB-CG 4.07Å; F329-Y404 HydrophobicContact CD1-CD1 4.2Å; F329-Y404 HydrophobicContact CD1-CE1 4.02Å; F329-Y404 HydrophobicContact CD2-CD1 4.3Å; F329-Y404 AromaticContact CG-CD1 3.78Å; F329-Y404 HydrophobicContact CG-CD1 3.78Å; F329-Y404 HydrophobicContact CG-CE1 4.09Å; F329-Y404 WeakPolarHBondContact O-CB 3.41Å; G330-Y404 VanDerWaalsContact CA-CD2 3.42Å; M400-Y404 PolarHBondContact O-N 2.91Å; A401-Y404 WeakPolarHBondContact O-CB 3.46Å; A401-Y404 PolarHBondContact O-N 3.41Å; A402-Y404 VanDerWaalsContact C-N 3.31Å; A402-Y404 PolarHBondContact O-N 3.07Å; Y404-Y407 PolarHBondContact O-N 3.11Å; Y404-H408 AromaticContact CD1-CD2 3.84Å; Y404-H408 AromaticContact CD2-CD2 3.75Å; Y404-H408 AromaticContact CD2-NE2 3.84Å; Y404-H408 AromaticContact CE1-CD2 3.61Å; Y404-H408 AromaticContact CE2-CD2 3.53Å; Y404-H408 AromaticContact CE2-NE2 3.37Å; Y404-H408 WeakPolarHBondContact CE2-NE2 3.49Å; Y404-H408 AromaticContact CG-CD2 3.91Å; Y404-H408 AromaticContact CZ-CD2 3.45Å; Y404-H408 VanDerWaalsContact CZ-CD2 3.45Å; Y404-H408 AromaticContact CZ-NE2 3.61Å; Y404-H408 PolarHBondContact O-CD2 3.01Å; Y404-H408 VanDerWaalsContact O-CD2 3.31Å; Y404-H408 PolarHBondContact O-N 3.09Å; Y404-L413 HydrophobicContact CD1-CD2 3.83Å; Y404-L413 HydrophobicContact CE1-CD2 3.42Å; Y404-L413 VanDerWaalsContact CE1-CD2 3.42Å; Y404-I416 WeakPolarHBondContact OH-CD1 3.41Å; Y404-E488 PolarHBondContact OH-OE1 3.22Å; Y404-E488 PolarHBondContact OH-OE2 3.16Å
405	A	98.9	Very high	98.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.5	-39.1	176.3	0	0	0	0	0	112.9	M184 A401 A402 G409 L413 L530 F535	M184-A405 HydrophobicContact CG-CB 3.87Å; M184-A405 HydrophobicContact SD-CB 3.46Å; M184-A405 WeakPolarHBondContact SD-CB 3.34Å; A401-A405 PolarHBondContact O-N 3.07Å; A402-A405 PolarHBondContact O-N 2.86Å; A405-G409 WeakPolarHBondContact O-CA 3.43Å; A405-G409 PolarHBondContact O-N 2.8Å; A405-L413 HydrophobicContact CB-CD1 4.24Å; A405-L530 HydrophobicContact CB-CD1 4.41Å; A405-F535 HydrophobicContact CB-CD1 4.34Å; A405-F535 HydrophobicContact CB-CE1 4.3Å
406	V	98.8	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-44	173.9	165.2	0	0	0	0	111.2	A402 F403 V534 F535 F538 H539 L544 Y547	A402-V406 WeakPolarHBondContact O-CB 3.37Å; A402-V406 VanDerWaalsContact O-CG2 3.32Å; A402-V406 WeakPolarHBondContact O-CG2 3.49Å; A402-V406 PolarHBondContact O-N 2.88Å; F403-V406 PolarHBondContact O-N 2.71Å; V406-V534 WeakPolarHBondContact CG1-O 3.24Å; V406-V534 HydrophobicContact CG2-CG2 4.21Å; V406-F535 HydrophobicContact CB-CD1 4.49Å; V406-F535 HydrophobicContact CG2-CD1 3.7Å; V406-F535 HydrophobicContact CG2-CE1 3.87Å; V406-F538 HydrophobicContact CG1-CB 3.8Å; V406-F538 HydrophobicContact CG1-CD2 3.84Å; V406-F538 HydrophobicContact CG1-CG 4.27Å; V406-H539 PolarHBondContact O-ND1 2.65Å; V406-L544 HydrophobicContact CG1-CD1 3.84Å; V406-Y547 HydrophobicContact CG1-CD1 4.21Å; V406-Y547 HydrophobicContact CG1-CE1 4.33Å
407	Y	98.8	Very high	98.7	Very high	51 Å²	51	24.9 Å²	24.9	20%	0.2	11%	0.108	C	C	.	.	H	α-helix	trans	-68.3	-44.6	-177.2	-170.9	-135.3	0	0	0	112.3	P146 F403 Y404 H539 L544	P146-Y407 HydrophobicContact CB-CD1 4.1Å; P146-Y407 HydrophobicContact CB-CE1 4.11Å; P146-Y407 HydrophobicContact CG-CD1 4.1Å; P146-Y407 HydrophobicContact CG-CE1 4.48Å; F403-Y407 VanDerWaalsContact O-CB 3.25Å; F403-Y407 WeakPolarHBondContact O-CB 3.1Å; F403-Y407 PolarHBondContact O-N 2.96Å; Y404-Y407 PolarHBondContact O-N 3.11Å; Y407-H539 WeakPolarHBondContact CE2-O 3.45Å; Y407-H539 PolarHBondContact O-ND1 2.84Å; Y407-L544 HydrophobicContact CD1-CD2 4.42Å; Y407-L544 HydrophobicContact CD2-CB 3.96Å; Y407-L544 HydrophobicContact CD2-CD1 4.47Å; Y407-L544 HydrophobicContact CD2-CD2 3.59Å; Y407-L544 HydrophobicContact CD2-CG 4.2Å; Y407-L544 HydrophobicContact CE2-CB 4.33Å; Y407-L544 HydrophobicContact CE2-CD2 4.19Å; Y407-L544 HydrophobicContact CG-CD2 3.71Å
408	H	98.8	Very high	98.7	Very high	42 Å²	42	26.5 Å²	26.5	19%	0.194	12%	0.12	C	C	.	.	H	α-helix	trans	-81.6	-31.5	-179	-73.3	-58.9	0	0	0	113.8	Y404 G412 L413	Y404-H408 AromaticContact CD1-CD2 3.84Å; Y404-H408 AromaticContact CD2-CD2 3.75Å; Y404-H408 AromaticContact CD2-NE2 3.84Å; Y404-H408 AromaticContact CE1-CD2 3.61Å; Y404-H408 AromaticContact CE2-CD2 3.53Å; Y404-H408 AromaticContact CE2-NE2 3.37Å; Y404-H408 WeakPolarHBondContact CE2-NE2 3.49Å; Y404-H408 AromaticContact CG-CD2 3.91Å; Y404-H408 AromaticContact CZ-CD2 3.45Å; Y404-H408 VanDerWaalsContact CZ-CD2 3.45Å; Y404-H408 AromaticContact CZ-NE2 3.61Å; Y404-H408 PolarHBondContact O-CD2 3.01Å; Y404-H408 VanDerWaalsContact O-CD2 3.31Å; Y404-H408 PolarHBondContact O-N 3.09Å; H408-G412 WeakPolarHBondContact O-CA 3.26Å; H408-G412 PolarHBondContact O-N 2.86Å; H408-G412 VanDerWaalsContact O-N 3.08Å; H408-L413 HydrophobicContact CB-CD2 3.98Å; H408-L413 HydrophobicContact CB-CG 4Å
409	G	98.6	Very high	98.7	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	62	178.7	-170.6	0	0	0	0	0	113.5	A405 E411 G412 L413 F535	A405-G409 WeakPolarHBondContact O-CA 3.43Å; A405-G409 PolarHBondContact O-N 2.8Å; G409-E411 VanDerWaalsContact C-N 3.31Å; G409-E411 PolarHBondContact O-N 3.07Å; G409-G412 PolarHBondContact O-N 3.41Å; G409-L413 VanDerWaalsContact O-CG 3.28Å; G409-L413 WeakPolarHBondContact O-CG 3.32Å; G409-L413 PolarHBondContact O-N 3.33Å; G409-L413 VanDerWaalsContact O-N 3.09Å; G409-F535 WeakPolarHBondContact CA-O 3.41Å
410	P	98.4	Very high	98.7	Very high	15 Å²	15	30.7 Å²	30.7	10%	0.097	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-41.1	-179.3	20.8	-30.9	0	0	0	113.1	K414 Y529 L530	P410-K414 VanDerWaalsContact O-CB 3.29Å; P410-K414 WeakPolarHBondContact O-CB 3.23Å; P410-K414 PolarHBondContact O-N 3.27Å; P410-Y529 HydrophobicContact CB-CD2 4.03Å; P410-Y529 HydrophobicContact CB-CE2 3.76Å; P410-Y529 WeakPolarHBondContact CB-O 3.4Å; P410-Y529 PolarHBondContact O-OH 3.29Å; P410-L530 HydrophobicContact CB-CB 4.26Å; P410-L530 HydrophobicContact CG-CB 4.35Å
411	E	98.1	Very high	98.6	Very high	130 Å²	130	31.4 Å²	31.4	61%	0.607	14%	0.139	S	C	*	.	H	α-helix	trans	-70.9	-39.8	-179	-66.5	-54.6	131.9	0	0	113	G409 K414 R415	G409-E411 VanDerWaalsContact C-N 3.31Å; G409-E411 PolarHBondContact O-N 3.07Å; E411-K414 PolarHBondContact O-N 3.09Å; E411-R415 VanDerWaalsContact O-CB 3.28Å; E411-R415 WeakPolarHBondContact O-CB 3.44Å; E411-R415 PolarHBondContact O-N 3.4Å
412	G	98.6	Very high	98.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-65.9	-44.8	177	0	0	0	0	0	111.8	H408 G409 R415 I416	H408-G412 WeakPolarHBondContact O-CA 3.26Å; H408-G412 PolarHBondContact O-N 2.86Å; H408-G412 VanDerWaalsContact O-N 3.08Å; G409-G412 PolarHBondContact O-N 3.41Å; G412-R415 WeakPolarHBondContact O-CB 3.44Å; G412-R415 PolarHBondContact O-N 3.47Å; G412-I416 VanDerWaalsContact O-CG1 3.32Å; G412-I416 WeakPolarHBondContact O-CG1 3.46Å; G412-I416 PolarHBondContact O-N 3.47Å
413	L	98.8	Very high	98.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-46.2	175.5	-66.1	175.4	0	0	0	111.4	T309 F329 Y404 A405 H408 G409 R415 I416 A417 L530	T309-L413 HydrophobicContact CG2-CB 3.98Å; F329-L413 HydrophobicContact CE1-CD2 4.32Å; F329-L413 HydrophobicContact CE2-CD1 4.36Å; F329-L413 HydrophobicContact CZ-CD1 4.27Å; F329-L413 HydrophobicContact CZ-CD2 4.3Å; Y404-L413 HydrophobicContact CD1-CD2 3.83Å; Y404-L413 HydrophobicContact CE1-CD2 3.42Å; Y404-L413 VanDerWaalsContact CE1-CD2 3.42Å; A405-L413 HydrophobicContact CB-CD1 4.24Å; H408-L413 HydrophobicContact CB-CD2 3.98Å; H408-L413 HydrophobicContact CB-CG 4Å; G409-L413 VanDerWaalsContact O-CG 3.28Å; G409-L413 WeakPolarHBondContact O-CG 3.32Å; G409-L413 PolarHBondContact O-N 3.33Å; G409-L413 VanDerWaalsContact O-N 3.09Å; L413-R415 VanDerWaalsContact C-N 3.3Å; L413-R415 PolarHBondContact O-N 3.08Å; L413-I416 PolarHBondContact O-N 3.44Å; L413-A417 PolarHBondContact O-N 2.91Å; L413-L530 HydrophobicContact CD1-CD1 3.53Å
414	K	98.6	Very high	98.3	Very high	91 Å²	91	38.7 Å²	38.7	40%	0.396	17%	0.167	S	C	.	.	H	α-helix	trans	-58.8	-40.5	175.7	-169.2	173.6	-177.4	174.1	0	112.2	L310 P410 E411 S418	L310-K414 HydrophobicContact CD2-CG 3.88Å; P410-K414 VanDerWaalsContact O-CB 3.29Å; P410-K414 WeakPolarHBondContact O-CB 3.23Å; P410-K414 PolarHBondContact O-N 3.27Å; E411-K414 PolarHBondContact O-N 3.09Å; K414-S418 WeakPolarHBondContact O-CB 3.1Å; K414-S418 PolarHBondContact O-N 3.01Å; K414-S418 PolarHBondContact O-OG 3.1Å
415	R	98.6	Very high	98.2	Very high	167 Å²	167	39.5 Å²	39.5	63%	0.63	17%	0.172	S	C	*	.	H	α-helix	trans	-65.3	-41.6	177.2	177.4	174	56.1	-136.7	-4.3	111.9	E411 G412 L413 R419	E411-R415 VanDerWaalsContact O-CB 3.28Å; E411-R415 WeakPolarHBondContact O-CB 3.44Å; E411-R415 PolarHBondContact O-N 3.4Å; G412-R415 WeakPolarHBondContact O-CB 3.44Å; G412-R415 PolarHBondContact O-N 3.47Å; L413-R415 VanDerWaalsContact C-N 3.3Å; L413-R415 PolarHBondContact O-N 3.08Å; R415-R419 WeakPolarHBondContact O-CB 3.38Å; R415-R419 PolarHBondContact O-N 3.35Å
416	I	98.8	Very high	98.1	Very high	18 Å²	18	44.6 Å²	44.6	9%	0.092	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-53.8	175.7	-68.1	163.7	0	0	0	109.7	L306 Y404 G412 L413 S418 R419 I420 E488	L306-I416 HydrophobicContact CD1-CG2 4.22Å; L306-I416 HydrophobicContact CD2-CG2 4.14Å; Y404-I416 WeakPolarHBondContact OH-CD1 3.41Å; G412-I416 VanDerWaalsContact O-CG1 3.32Å; G412-I416 WeakPolarHBondContact O-CG1 3.46Å; G412-I416 PolarHBondContact O-N 3.47Å; L413-I416 PolarHBondContact O-N 3.44Å; I416-S418 VanDerWaalsContact C-N 3.34Å; I416-S418 PolarHBondContact O-N 3.27Å; I416-R419 WeakPolarHBondContact O-CB 3.48Å; I416-R419 PolarHBondContact O-N 2.97Å; I416-R419 VanDerWaalsContact O-N 3.1Å; I416-I420 HydrophobicContact CG2-CD1 4.12Å; I416-I420 WeakPolarHBondContact O-CG1 3.41Å; I416-I420 PolarHBondContact O-N 3.31Å; I416-E488 HydrophobicContact CG2-CB 4.36Å; I416-E488 HydrophobicContact CG2-CG 3.92Å
417	A	98.8	Very high	98	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-44.4	178.2	0	0	0	0	0	112.2	L306 T309 L310 L413 R419 I420 H421 F445	L306-A417 HydrophobicContact CD1-CB 3.93Å; L306-A417 HydrophobicContact CG-CB 3.92Å; L306-A417 WeakPolarHBondContact O-CB 3.39Å; T309-A417 WeakPolarHBondContact OG1-CB 3.31Å; L310-A417 HydrophobicContact CD1-CB 3.91Å; L310-A417 HydrophobicContact CD2-CB 4.15Å; L310-A417 HydrophobicContact CG-CB 3.77Å; L413-A417 PolarHBondContact O-N 2.91Å; A417-R419 VanDerWaalsContact C-N 3.3Å; A417-R419 PolarHBondContact O-N 2.83Å; A417-I420 PolarHBondContact O-N 3.47Å; A417-H421 WeakPolarHBondContact O-CB 3.13Å; A417-H421 PolarHBondContact O-N 3.33Å; A417-F445 HydrophobicContact CB-CE2 3.89Å; A417-F445 HydrophobicContact CB-CZ 4.06Å
418	S	98.3	Very high	97.9	Very high	36 Å²	36	42.2 Å²	42.2	25%	0.252	18%	0.182	S	C	.	.	H	α-helix	trans	-64	-33.3	177.6	-63.5	0	0	0	0	112.6	L310 K414 I416 R422	L310-S418 WeakPolarHBondContact CD2-OG 3.21Å; K414-S418 WeakPolarHBondContact O-CB 3.1Å; K414-S418 PolarHBondContact O-N 3.01Å; K414-S418 PolarHBondContact O-OG 3.1Å; I416-S418 VanDerWaalsContact C-N 3.34Å; I416-S418 PolarHBondContact O-N 3.27Å; S418-R422 WeakPolarHBondContact O-CB 3.17Å; S418-R422 WeakPolarHBondContact O-CG 3.34Å; S418-R422 PolarHBondContact O-N 2.97Å; S418-R422 VanDerWaalsContact O-N 3.07Å; S418-R422 PolarHBondContact O-NE 3.19Å
419	R	98.2	Very high	97.7	Very high	89 Å²	89	40.7 Å²	40.7	34%	0.336	18%	0.176	S	C	.	.	H	α-helix	trans	-67.7	-46.3	174.1	172.1	173.5	160.9	-100.9	1	110.8	R415 I416 A417 R422 N423 E488 L490	R415-R419 WeakPolarHBondContact O-CB 3.38Å; R415-R419 PolarHBondContact O-N 3.35Å; I416-R419 WeakPolarHBondContact O-CB 3.48Å; I416-R419 PolarHBondContact O-N 2.97Å; I416-R419 VanDerWaalsContact O-N 3.1Å; A417-R419 VanDerWaalsContact C-N 3.3Å; A417-R419 PolarHBondContact O-N 2.83Å; R419-R422 PolarHBondContact O-N 3.21Å; R419-N423 PolarHBondContact O-N 3.4Å; R419-N423 PolarHBondContact O-ND2 2.82Å; R419-E488 PolarHBondContact NH1-O 3.06Å; R419-E488 PolarHBondContact NH2-O 3.13Å; R419-L490 PolarHBondContact NH2-O 3.4Å
420	I	98.6	Very high	97.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-58.1	-55.6	177	-66.4	171.2	0	0	0	109.6	L306 I416 A417 R422 N423 T424 F445 D446 I486 E488	L306-I420 HydrophobicContact CD2-CD1 3.5Å; L306-I420 VanDerWaalsContact CD2-CD1 3.5Å; I416-I420 HydrophobicContact CG2-CD1 4.12Å; I416-I420 WeakPolarHBondContact O-CG1 3.41Å; I416-I420 PolarHBondContact O-N 3.31Å; A417-I420 PolarHBondContact O-N 3.47Å; I420-R422 PolarHBondContact O-N 2.89Å; I420-N423 WeakPolarHBondContact O-CB 3.44Å; I420-N423 PolarHBondContact O-N 3.3Å; I420-T424 PolarHBondContact O-N 2.96Å; I420-T424 PolarHBondContact O-OG1 2.99Å; I420-F445 HydrophobicContact CB-CZ 4.49Å; I420-F445 HydrophobicContact CG2-CZ 4.28Å; I420-D446 HydrophobicContact CG2-CB 3.45Å; I420-D446 VanDerWaalsContact CG2-CB 3.45Å; I420-I486 HydrophobicContact CG2-CB 4.4Å; I420-I486 HydrophobicContact CG2-CG2 4.28Å; I420-I486 WeakPolarHBondContact CG2-O 3.11Å; I420-E488 HydrophobicContact CD1-CB 4.26Å
421	H	97.9	Very high	97.4	Very high	16 Å²	16	39.9 Å²	39.9	7%	0.074	17%	0.17	C	C	.	.	H	α-helix	trans	-55.9	-45.6	179.8	-179.6	56.5	0	0	0	112.9	L310 A417 N423 T424 L425 V444 F445 I517	L310-H421 HydrophobicContact CD1-CB 4.02Å; A417-H421 WeakPolarHBondContact O-CB 3.13Å; A417-H421 PolarHBondContact O-N 3.33Å; H421-N423 VanDerWaalsContact C-N 3.32Å; H421-N423 PolarHBondContact O-N 3.46Å; H421-T424 WeakPolarHBondContact O-CB 3.41Å; H421-T424 PolarHBondContact O-N 3.14Å; H421-L425 WeakPolarHBondContact O-CG 3.02Å; H421-L425 PolarHBondContact O-N 3.49Å; H421-V444 PolarHBondContact CE1-O 2.84Å; H421-V444 PolarHBondContact ND1-O 3.11Å; H421-F445 WeakPolarHBondContact CA-O 3.41Å; H421-F445 HydrophobicContact CB-CD2 4.26Å; H421-F445 HydrophobicContact CB-CE2 4.43Å; H421-F445 PolarHBondContact ND1-O 2.82Å; H421-F445 VanDerWaalsContact ND1-O 3.14Å; H421-I517 PolarHBondContact NE2-N 2.82Å
422	R	96.4	Very high	97.2	Very high	136 Å²	136	37.1 Å²	37.1	51%	0.513	16%	0.157	S	C	.	.	H	α-helix	trans	-62.5	-37	176.6	-75.9	-175.9	-61.1	-178.1	1.9	112.8	S418 R419 I420 L425 R426	S418-R422 WeakPolarHBondContact O-CB 3.17Å; S418-R422 WeakPolarHBondContact O-CG 3.34Å; S418-R422 PolarHBondContact O-N 2.97Å; S418-R422 VanDerWaalsContact O-N 3.07Å; S418-R422 PolarHBondContact O-NE 3.19Å; R419-R422 PolarHBondContact O-N 3.21Å; I420-R422 PolarHBondContact O-N 2.89Å; R422-L425 PolarHBondContact O-N 2.99Å; R422-R426 VanDerWaalsContact O-CG 3.26Å; R422-R426 WeakPolarHBondContact O-CG 3.5Å; R422-R426 PolarHBondContact O-N 3.24Å
423	N	97	Very high	96.9	Very high	17 Å²	17	41.7 Å²	41.7	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-68.3	-38.7	175.5	-74.9	-20.6	0	0	0	111.6	R419 I420 H421 L425 R426 L427 I486 L490	R419-N423 PolarHBondContact O-N 3.4Å; R419-N423 PolarHBondContact O-ND2 2.82Å; I420-N423 WeakPolarHBondContact O-CB 3.44Å; I420-N423 PolarHBondContact O-N 3.3Å; H421-N423 VanDerWaalsContact C-N 3.32Å; H421-N423 PolarHBondContact O-N 3.46Å; N423-L425 PolarHBondContact O-N 2.92Å; N423-R426 PolarHBondContact O-N 3.09Å; N423-R426 PolarHBondContact OD1-NH1 2.94Å; N423-L427 PolarHBondContact O-N 2.91Å; N423-I486 HydrophobicContact CB-CG2 4.25Å; N423-L490 HydrophobicContact CB-CD2 3.63Å
424	T	97.6	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.2	-45.8	171.8	-48.9	0	0	0	0	111.5	I420 H421 R426 L427 V428 V444 D446 I448	I420-T424 PolarHBondContact O-N 2.96Å; I420-T424 PolarHBondContact O-OG1 2.99Å; H421-T424 WeakPolarHBondContact O-CB 3.41Å; H421-T424 PolarHBondContact O-N 3.14Å; T424-R426 PolarHBondContact O-N 3.48Å; T424-L427 WeakPolarHBondContact O-CB 3.49Å; T424-L427 PolarHBondContact O-N 2.89Å; T424-V428 WeakPolarHBondContact O-CG2 3.39Å; T424-V428 PolarHBondContact O-N 3.08Å; T424-V444 HydrophobicContact CG2-CG2 4.02Å; T424-D446 WeakPolarHBondContact OG1-CA 3.4Å; T424-I448 HydrophobicContact CG2-CG2 3.74Å
425	L	96.7	Very high	96.3	Very high	18 Å²	18	40.1 Å²	40.1	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-65.5	-35.7	176.9	-66.2	-177.9	0	0	0	113.6	H421 R422 N423 L427 S429 F515 A516	H421-L425 WeakPolarHBondContact O-CG 3.02Å; H421-L425 PolarHBondContact O-N 3.49Å; R422-L425 PolarHBondContact O-N 2.99Å; N423-L425 PolarHBondContact O-N 2.92Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L425-S429 WeakPolarHBondContact O-CB 3.36Å; L425-S429 PolarHBondContact O-N 3.45Å; L425-S429 PolarHBondContact O-OG 3.41Å; L425-F515 HydrophobicContact CD2-CB 3.99Å; L425-A516 HydrophobicContact CD1-CB 3.72Å; L425-A516 HydrophobicContact CD2-CB 4.11Å
426	R	96.2	Very high	96.1	Very high	107 Å²	107	32.5 Å²	32.5	40%	0.404	16%	0.16	S	C	.	.	H	α-helix	trans	-63.6	-42.8	172.5	-72.9	165.7	-179.9	156.1	-3.2	111	R422 N423 T424 S429 A430 F495 P509	R422-R426 VanDerWaalsContact O-CG 3.26Å; R422-R426 WeakPolarHBondContact O-CG 3.5Å; R422-R426 PolarHBondContact O-N 3.24Å; N423-R426 PolarHBondContact O-N 3.09Å; N423-R426 PolarHBondContact OD1-NH1 2.94Å; T424-R426 PolarHBondContact O-N 3.48Å; R426-S429 PolarHBondContact O-N 2.65Å; R426-A430 WeakPolarHBondContact O-CB 3.29Å; R426-A430 PolarHBondContact O-N 3.35Å; R426-F495 HydrophobicContact CB-CE2 3.9Å; R426-F495 HydrophobicContact CB-CZ 3.68Å; R426-P509 HydrophobicContact CG-CG 4.05Å
427	L	96.4	Very high	95.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-51.7	175.8	178.5	60.4	0	0	0	110.4	N423 T424 L425 S429 A430 L431 I448 L484 I486 F495 L498 M499	N423-L427 PolarHBondContact O-N 2.91Å; T424-L427 WeakPolarHBondContact O-CB 3.49Å; T424-L427 PolarHBondContact O-N 2.89Å; L425-L427 VanDerWaalsContact C-N 3.34Å; L427-S429 VanDerWaalsContact C-N 3.29Å; L427-S429 PolarHBondContact O-N 3.03Å; L427-A430 PolarHBondContact O-N 3.1Å; L427-A430 VanDerWaalsContact O-N 3.11Å; L427-L431 HydrophobicContact CD1-CD1 3.89Å; L427-L431 HydrophobicContact CD1-CD2 4.15Å; L427-L431 HydrophobicContact CD1-CG 3.84Å; L427-L431 HydrophobicContact CG-CD1 3.84Å; L427-L431 HydrophobicContact CG-CG 4.18Å; L427-L431 WeakPolarHBondContact O-CB 3.31Å; L427-L431 VanDerWaalsContact O-CG 3.24Å; L427-L431 WeakPolarHBondContact O-CG 3.2Å; L427-L431 PolarHBondContact O-N 3.39Å; L427-I448 HydrophobicContact CD2-CD1 3.74Å; L427-I448 HydrophobicContact CG-CD1 3.9Å; L427-L484 HydrophobicContact CD2-CD2 4.24Å; L427-I486 HydrophobicContact CD2-CD1 3.84Å; L427-I486 HydrophobicContact CD2-CG1 4.26Å; L427-F495 HydrophobicContact CB-CE2 4.19Å; L427-F495 HydrophobicContact CB-CZ 4.47Å; L427-L498 HydrophobicContact CD1-CB 4.47Å; L427-L498 HydrophobicContact CD2-CD1 4.46Å; L427-M499 HydrophobicContact CD1-CE 3.3Å
428	V	96.2	Very high	95.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-47.4	-52.5	174	162.1	0	0	0	0	111.5	T424 A430 L431 E432 I438 I448 F515	T424-V428 WeakPolarHBondContact O-CG2 3.39Å; T424-V428 PolarHBondContact O-N 3.08Å; V428-A430 VanDerWaalsContact C-N 3.33Å; V428-A430 PolarHBondContact O-N 2.69Å; V428-L431 PolarHBondContact O-N 3.15Å; V428-E432 HydrophobicContact CG1-CG 4.5Å; V428-E432 WeakPolarHBondContact O-CG 3.46Å; V428-E432 PolarHBondContact O-N 2.98Å; V428-I438 HydrophobicContact CG1-CG1 4.18Å; V428-I438 HydrophobicContact CG2-CG1 4.47Å; V428-I448 HydrophobicContact CG2-CD1 4.22Å; V428-I448 HydrophobicContact CG2-CG2 3.67Å; V428-F515 HydrophobicContact CG1-CD2 3.49Å; V428-F515 VanDerWaalsContact CG1-CD2 3.49Å; V428-F515 HydrophobicContact CG1-CE2 3.92Å; V428-F515 HydrophobicContact CG1-CG 4.22Å
429	S	95.7	Very high	95.6	Very high	10 Å²	10	38.4 Å²	38.4	7%	0.07	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-38.6	-176.2	-55.3	0	0	0	0	112.1	L425 R426 L427 N433 V507 P509	L425-S429 WeakPolarHBondContact O-CB 3.36Å; L425-S429 PolarHBondContact O-N 3.45Å; L425-S429 PolarHBondContact O-OG 3.41Å; R426-S429 PolarHBondContact O-N 2.65Å; L427-S429 VanDerWaalsContact C-N 3.29Å; L427-S429 PolarHBondContact O-N 3.03Å; S429-N433 VanDerWaalsContact O-CB 3.32Å; S429-N433 WeakPolarHBondContact O-CB 3.24Å; S429-N433 PolarHBondContact O-N 2.92Å; S429-N433 VanDerWaalsContact O-N 3.07Å; S429-V507 VanDerWaalsContact C-CG2 3.41Å; S429-V507 VanDerWaalsContact O-CG2 3.28Å; S429-V507 WeakPolarHBondContact O-CG2 3.14Å; S429-P509 WeakPolarHBondContact OG-CA 3.41Å; S429-P509 WeakPolarHBondContact OG-CB 3.46Å
430	A	95.3	Very high	95.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-40.8	175.5	0	0	0	0	0	112.4	R426 L427 V428 N433 A434 M499 A504 T505	R426-A430 WeakPolarHBondContact O-CB 3.29Å; R426-A430 PolarHBondContact O-N 3.35Å; L427-A430 PolarHBondContact O-N 3.1Å; L427-A430 VanDerWaalsContact O-N 3.11Å; V428-A430 VanDerWaalsContact C-N 3.33Å; V428-A430 PolarHBondContact O-N 2.69Å; A430-N433 PolarHBondContact O-N 2.84Å; A430-A434 WeakPolarHBondContact O-CB 3.43Å; A430-A434 PolarHBondContact O-N 3Å; A430-M499 HydrophobicContact CB-CE 3.87Å; A430-M499 HydrophobicContact CB-SD 3.4Å; A430-M499 WeakPolarHBondContact CB-SD 3.46Å; A430-A504 HydrophobicContact CB-CB 4.16Å; A430-T505 VanDerWaalsContact CB-O 3.3Å; A430-T505 WeakPolarHBondContact CB-O 3.3Å
431	L	94.8	Very high	95.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.9	-44.8	178.5	-66.4	-178.7	0	0	0	111.8	L427 V428 N433 A434 G435 Y436 I438 I448 V450 F502 A504	L427-L431 HydrophobicContact CD1-CD1 3.89Å; L427-L431 HydrophobicContact CD1-CD2 4.15Å; L427-L431 HydrophobicContact CD1-CG 3.84Å; L427-L431 HydrophobicContact CG-CD1 3.84Å; L427-L431 HydrophobicContact CG-CG 4.18Å; L427-L431 WeakPolarHBondContact O-CB 3.31Å; L427-L431 VanDerWaalsContact O-CG 3.24Å; L427-L431 WeakPolarHBondContact O-CG 3.2Å; L427-L431 PolarHBondContact O-N 3.39Å; V428-L431 PolarHBondContact O-N 3.15Å; L431-N433 VanDerWaalsContact C-N 3.3Å; L431-N433 PolarHBondContact O-N 3.22Å; L431-A434 CarbonylContact O-C 3.52Å; L431-A434 PolarHBondContact O-N 3.03Å; L431-A434 VanDerWaalsContact O-N 3.13Å; L431-G435 PolarHBondContact O-N 2.78Å; L431-Y436 HydrophobicContact CB-CD2 4.22Å; L431-Y436 HydrophobicContact CD2-CD2 3.99Å; L431-Y436 HydrophobicContact CD2-CE2 4.28Å; L431-Y436 WeakPolarHBondContact O-CB 3.5Å; L431-Y436 WeakPolarHBondContact O-CD2 3.38Å; L431-Y436 PolarHBondContact O-N 3.21Å; L431-I438 HydrophobicContact CB-CD1 4.16Å; L431-I438 HydrophobicContact CD1-CD1 4.14Å; L431-I448 HydrophobicContact CD1-CD1 3.72Å; L431-V450 HydrophobicContact CD1-CG1 4.27Å; L431-V450 HydrophobicContact CD1-CG2 3.7Å; L431-F502 HydrophobicContact CD2-CB 3.26Å; L431-F502 HydrophobicContact CD2-CD1 3.53Å; L431-F502 HydrophobicContact CD2-CD2 4Å; L431-F502 HydrophobicContact CD2-CE1 4.39Å; L431-F502 HydrophobicContact CD2-CG 3.3Å; L431-A504 HydrophobicContact CD2-CB 4.31Å
432	E	93.4	Very high	95.2	Very high	71 Å²	71	40.1 Å²	40.1	33%	0.332	20%	0.2	S	C	.	.	H	α-helix	trans	-59.1	-42.4	173.4	-71.8	-173.4	136.2	0	0	111.4	V428 A434 G435 I438	V428-E432 HydrophobicContact CG1-CG 4.5Å; V428-E432 WeakPolarHBondContact O-CG 3.46Å; V428-E432 PolarHBondContact O-N 2.98Å; E432-A434 VanDerWaalsContact C-N 3.28Å; E432-A434 PolarHBondContact O-N 2.76Å; E432-G435 WeakPolarHBondContact O-CA 3.45Å; E432-G435 PolarHBondContact O-N 3.16Å; E432-I438 HydrophobicContact CG-CG1 4.04Å
433	N	92.9	Very high	95.3	Very high	98 Å²	98	33.7 Å²	33.7	52%	0.524	18%	0.176	S	C	.	.	H	α-helix	trans	-64.6	-31.6	176.6	-175	75	0	0	0	112.9	S429 A430 L431 G435 V507	S429-N433 VanDerWaalsContact O-CB 3.32Å; S429-N433 WeakPolarHBondContact O-CB 3.24Å; S429-N433 PolarHBondContact O-N 2.92Å; S429-N433 VanDerWaalsContact O-N 3.07Å; A430-N433 PolarHBondContact O-N 2.84Å; L431-N433 VanDerWaalsContact C-N 3.3Å; L431-N433 PolarHBondContact O-N 3.22Å; N433-G435 PolarHBondContact O-N 3.09Å; N433-V507 HydrophobicContact CB-CG1 4Å; N433-V507 HydrophobicContact CB-CG2 4.15Å
434	A	92.3	Very high	95.3	Very high	24 Å²	24	32.9 Å²	32.9	20%	0.198	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	1.6	172.2	0	0	0	0	0	113.3	A430 L431 E432 Y436 N457 A504	A430-A434 WeakPolarHBondContact O-CB 3.43Å; A430-A434 PolarHBondContact O-N 3Å; L431-A434 CarbonylContact O-C 3.52Å; L431-A434 PolarHBondContact O-N 3.03Å; L431-A434 VanDerWaalsContact O-N 3.13Å; E432-A434 VanDerWaalsContact C-N 3.28Å; E432-A434 PolarHBondContact O-N 2.76Å; A434-Y436 HydrophobicContact CB-CD2 3.95Å; A434-Y436 HydrophobicContact CB-CE2 3.97Å; A434-N457 PolarHBondContact O-ND2 3.19Å; A434-A504 HydrophobicContact CB-CB 3.76Å
435	G	92	Very high	95.4	Very high	34 Å²	34	33 Å²	33	35%	0.351	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-5.1	175.8	0	0	0	0	0	115.3	L431 E432 N433 N453	L431-G435 PolarHBondContact O-N 2.78Å; E432-G435 WeakPolarHBondContact O-CA 3.45Å; E432-G435 PolarHBondContact O-N 3.16Å; N433-G435 PolarHBondContact O-N 3.09Å; G435-N453 WeakPolarHBondContact CA-ND2 3.47Å; G435-N453 WeakPolarHBondContact O-CB 3.45Å; G435-N453 PolarHBondContact O-ND2 2.67Å
436	Y	94.1	Very high	95.5	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.027	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-64.5	146.4	177.2	-64.1	-84.4	0	0	0	111.2	L431 A434 V450 N457 I462 F502	L431-Y436 HydrophobicContact CB-CD2 4.22Å; L431-Y436 HydrophobicContact CD2-CD2 3.99Å; L431-Y436 HydrophobicContact CD2-CE2 4.28Å; L431-Y436 WeakPolarHBondContact O-CB 3.5Å; L431-Y436 WeakPolarHBondContact O-CD2 3.38Å; L431-Y436 PolarHBondContact O-N 3.21Å; A434-Y436 HydrophobicContact CB-CD2 3.95Å; A434-Y436 HydrophobicContact CB-CE2 3.97Å; Y436-V450 HydrophobicContact CD1-CG1 3.78Å; Y436-V450 HydrophobicContact CG-CG1 3.86Å; Y436-N457 HydrophobicContact CE1-CB 3.7Å; Y436-N457 HydrophobicContact CE2-CB 4.44Å; Y436-N457 VanDerWaalsContact OH-CB 3.26Å; Y436-N457 WeakPolarHBondContact OH-CB 3.49Å; Y436-N457 VanDerWaalsContact OH-CG 3.26Å; Y436-N457 PolarHBondContact OH-OD1 3.49Å; Y436-I462 HydrophobicContact CE1-CD1 3.95Å; Y436-F502 HydrophobicContact CD2-CD1 4.45Å; Y436-F502 HydrophobicContact CE1-CD1 4.06Å; Y436-F502 HydrophobicContact CE2-CB 3.81Å; Y436-F502 HydrophobicContact CE2-CD1 4.01Å; Y436-F502 HydrophobicContact CE2-CG 4.43Å; Y436-F502 WeakPolarHBondContact CE2-O 3.43Å; Y436-F502 AromaticContact CZ-CD1 3.77Å; Y436-F502 VanDerWaalsContact CZ-O 3.31Å; Y436-F502 PolarHBondContact OH-O 2.82Å
437	K	94.1	Very high	95.6	Very high	139 Å²	139	27.6 Å²	27.6	60%	0.604	15%	0.152	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	126	170.9	176.7	178	175.9	-175.9	0	109.3	L451	K437-L451 HydrophobicContact CB-CB 4.22Å; K437-L451 HydrophobicContact CB-CD1 4.44Å; K437-L451 HydrophobicContact CD-CD1 3.93Å; K437-L451 HydrophobicContact CG-CD1 4.16Å; K437-L451 PolarHBondContact N-O 3.33Å; K437-L451 PolarHBondContact O-N 2.94Å
438	I	96	Very high	95.7	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.051	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	120.4	168.4	-51.5	-55.4	0	0	0	107.8	V428 L431 E432 N440 I448 V450 F515	V428-I438 HydrophobicContact CG1-CG1 4.18Å; V428-I438 HydrophobicContact CG2-CG1 4.47Å; L431-I438 HydrophobicContact CB-CD1 4.16Å; L431-I438 HydrophobicContact CD1-CD1 4.14Å; E432-I438 HydrophobicContact CG-CG1 4.04Å; I438-N440 HydrophobicContact CG2-CB 4.12Å; I438-I448 HydrophobicContact CD1-CD1 4.48Å; I438-V450 HydrophobicContact CD1-CG1 4.38Å; I438-V450 HydrophobicContact CD1-CG2 3.91Å; I438-F515 HydrophobicContact CB-CE1 4.06Å; I438-F515 HydrophobicContact CB-CE2 4.14Å; I438-F515 HydrophobicContact CB-CZ 3.61Å; I438-F515 HydrophobicContact CG1-CE2 4.47Å; I438-F515 HydrophobicContact CG1-CZ 4.41Å; I438-F515 HydrophobicContact CG2-CD1 4.17Å; I438-F515 HydrophobicContact CG2-CE1 3.59Å; I438-F515 HydrophobicContact CG2-CE2 4.34Å; I438-F515 HydrophobicContact CG2-CZ 3.68Å
439	A	95.7	Very high	95.7	Very high	28 Å²	28	28.9 Å²	28.9	23%	0.231	16%	0.157	C	C	.	.			trans	-82.2	-16.1	-174.6	0	0	0	0	0	113.7	K449 L451	A439-K449 HydrophobicContact CB-CB 4.18Å; A439-K449 HydrophobicContact CB-CD 4.12Å; A439-K449 HydrophobicContact CB-CG 3.96Å; A439-K449 PolarHBondContact N-O 3.4Å; A439-L451 HydrophobicContact CB-CD1 3.9Å; A439-L451 HydrophobicContact CB-CG 3.96Å
440	N	96.7	Very high	95.8	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.037	15%	0.154	C	C	.	.			trans	-54.4	148.5	172.9	-61.7	90.3	0	0	0	110.6	E277 N279 I438 V444 I448 K449 F515	E277-N440 PolarHBondContact O-ND2 3.27Å; N279-N440 WeakPolarHBondContact OD1-CA 3.35Å; N279-N440 WeakPolarHBondContact OD1-CB 3.34Å; N279-N440 PolarHBondContact OD1-ND2 2.99Å; I438-N440 HydrophobicContact CG2-CB 4.12Å; N440-V444 HydrophobicContact CB-CG1 3.78Å; N440-I448 WeakPolarHBondContact OD1-CA 3.49Å; N440-K449 PolarHBondContact OD1-N 2.96Å; N440-F515 HydrophobicContact CB-CD1 4.11Å; N440-F515 HydrophobicContact CB-CE1 3.91Å; N440-F515 WeakPolarHBondContact O-CE1 3.19Å
441	Q	95	Very high	95.8	Very high	115 Å²	115	30.8 Å²	30.8	54%	0.537	17%	0.166	S	C	.	.			trans	-111.8	-14.8	-173.2	-62	-177.6	13.8	0	0	112.8	N279 W281	N279-Q441 PolarHBondContact OD1-N 3.32Å; W281-Q441 HydrophobicContact CH2-CB 3.66Å; W281-Q441 HydrophobicContact CH2-CG 4.3Å; W281-Q441 HydrophobicContact CZ2-CB 4.28Å; W281-Q441 HydrophobicContact CZ3-CB 4.45Å
442	T	95.6	Very high	95.4	Very high	21 Å²	21	32.7 Å²	32.7	13%	0.129	18%	0.179	C	C	.	.	S	Bend	trans	-135.8	-169.8	-177	66.7	0	0	0	0	110.7	I280 W281 I514	I280-T442 PolarHBondContact N-OG1 3.21Å; I280-T442 VanDerWaalsContact O-CB 3.27Å; I280-T442 WeakPolarHBondContact O-CB 3.23Å; I280-T442 PolarHBondContact O-OG1 3.16Å; W281-T442 HydrophobicContact CD2-CG2 4.28Å; W281-T442 HydrophobicContact CE3-CG2 3.61Å; W281-T442 HydrophobicContact CH2-CG2 4Å; W281-T442 HydrophobicContact CZ3-CG2 3.46Å; W281-T442 VanDerWaalsContact CZ3-CG2 3.46Å; T442-I514 CarbonylContact C-O 3.52Å; T442-I514 VanDerWaalsContact C-O 3.26Å
443	A	97.2	Very high	94.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	18%	0.184	C	C	.	.			trans	-54.3	149.8	170	0	0	0	0	0	111.6	I280 I514 F515 I517 Y520 L523	I280-A443 HydrophobicContact CB-CB 4.48Å; I280-A443 WeakPolarHBondContact CB-O 3.42Å; I280-A443 HydrophobicContact CD1-CB 4.32Å; I280-A443 VanDerWaalsContact CG1-O 3.3Å; I280-A443 WeakPolarHBondContact CG1-O 3.29Å; I280-A443 PolarHBondContact N-O 3.2Å; A443-I514 PolarHBondContact N-O 3.24Å; A443-F515 WeakPolarHBondContact CA-O 3.24Å; A443-I517 HydrophobicContact CB-CG1 4.34Å; A443-Y520 HydrophobicContact CB-CD2 3.81Å; A443-Y520 HydrophobicContact CB-CE2 3.82Å; A443-L523 HydrophobicContact CB-CD2 3.59Å
444	V	98.1	Very high	93.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-126.2	144.9	174.8	-57	0	0	0	0	109.8	G278 H421 T424 N440 T447 I448 F515	G278-V444 WeakPolarHBondContact O-CA 3.24Å; G278-V444 WeakPolarHBondContact O-CG1 3.4Å; H421-V444 PolarHBondContact CE1-O 2.84Å; H421-V444 PolarHBondContact ND1-O 3.11Å; T424-V444 HydrophobicContact CG2-CG2 4.02Å; N440-V444 HydrophobicContact CB-CG1 3.78Å; V444-T447 WeakPolarHBondContact CB-O 3.49Å; V444-I448 HydrophobicContact CG2-CG2 3.97Å; V444-F515 HydrophobicContact CG1-CD1 4.44Å; V444-F515 HydrophobicContact CG2-CB 4.13Å; V444-F515 PolarHBondContact N-O 3.09Å
445	F	98.6	Very high	92.6	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	21%	0.207	C	C	.	.	S	Bend	trans	-81.7	-72.6	171.5	171.6	-129.2	0	0	0	109.6	P274 I280 L306 A307 L310 A417 I420 H421 I517	P274-F445 HydrophobicContact CG-CB 4.04Å; I280-F445 HydrophobicContact CD1-CB 4.34Å; L306-F445 HydrophobicContact CB-CE1 4.36Å; L306-F445 HydrophobicContact CB-CZ 4.29Å; L306-F445 HydrophobicContact CD2-CZ 4.14Å; L306-F445 HydrophobicContact CG-CE1 4.44Å; L306-F445 HydrophobicContact CG-CZ 3.92Å; A307-F445 HydrophobicContact CB-CB 4.19Å; A307-F445 HydrophobicContact CB-CD1 3.45Å; A307-F445 VanDerWaalsContact CB-CD1 3.45Å; A307-F445 HydrophobicContact CB-CD2 4.4Å; A307-F445 HydrophobicContact CB-CE1 3.86Å; A307-F445 HydrophobicContact CB-CG 3.75Å; L310-F445 HydrophobicContact CD1-CD2 4.22Å; L310-F445 HydrophobicContact CD1-CE2 4.02Å; A417-F445 HydrophobicContact CB-CE2 3.89Å; A417-F445 HydrophobicContact CB-CZ 4.06Å; I420-F445 HydrophobicContact CB-CZ 4.49Å; I420-F445 HydrophobicContact CG2-CZ 4.28Å; H421-F445 WeakPolarHBondContact CA-O 3.41Å; H421-F445 HydrophobicContact CB-CD2 4.26Å; H421-F445 HydrophobicContact CB-CE2 4.43Å; H421-F445 PolarHBondContact ND1-O 2.82Å; H421-F445 VanDerWaalsContact ND1-O 3.14Å; F445-I517 HydrophobicContact CD2-CD1 4.49Å
446	D	98.6	Very high	91.5	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.027	23%	0.226	C	C	.	.	S	Bend	trans	-130.8	-10.4	-172.4	69.1	-4.7	0	0	0	114.5	R328 I420 T424 S485 I486	R328-D446 IonicContact CZ-OD2 2.72Å; R328-D446 VanDerWaalsContact CZ-OD2 3.3Å; R328-D446 IonicContact NH1-OD2 3.93Å; R328-D446 PolarHBondContact NH1-OD2 2.78Å; R328-D446 IonicContact NH2-OD2 2.81Å; R328-D446 PolarHBondContact NH2-OD2 3.31Å; I420-D446 HydrophobicContact CG2-CB 3.45Å; I420-D446 VanDerWaalsContact CG2-CB 3.45Å; T424-D446 WeakPolarHBondContact OG1-CA 3.4Å; D446-S485 WeakPolarHBondContact O-CA 3.43Å; D446-I486 VanDerWaalsContact CB-O 3.26Å; D446-I486 WeakPolarHBondContact CB-O 3.47Å; D446-I486 PolarHBondContact O-N 3.38Å
447	T	98.7	Very high	90.7	Very high	8 Å²	8	46.2 Å²	46.2	5%	0.049	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.8	-169.4	-61	0	0	0	0	111.1	V444 L484 S485	V444-T447 WeakPolarHBondContact CB-O 3.49Å; T447-L484 CarbonylContact C-O 3.36Å; T447-L484 VanDerWaalsContact CA-O 3.25Å; T447-L484 WeakPolarHBondContact CA-O 3.49Å; T447-S485 WeakPolarHBondContact CG2-OG 3.47Å; T447-S485 WeakPolarHBondContact OG1-CB 3.31Å; T447-S485 PolarHBondContact OG1-OG 3.01Å
448	I	98.3	Very high	90.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.4	177.8	58.3	173.3	0	0	0	111.7	T424 L427 V428 L431 I438 N440 V444 V450 G483 L484	T424-I448 HydrophobicContact CG2-CG2 3.74Å; L427-I448 HydrophobicContact CD2-CD1 3.74Å; L427-I448 HydrophobicContact CG-CD1 3.9Å; V428-I448 HydrophobicContact CG2-CD1 4.22Å; V428-I448 HydrophobicContact CG2-CG2 3.67Å; L431-I448 HydrophobicContact CD1-CD1 3.72Å; I438-I448 HydrophobicContact CD1-CD1 4.48Å; N440-I448 WeakPolarHBondContact OD1-CA 3.49Å; V444-I448 HydrophobicContact CG2-CG2 3.97Å; I448-V450 HydrophobicContact CD1-CG2 3.92Å; I448-V450 HydrophobicContact CG1-CG2 4.09Å; I448-G483 CarbonylContact O-C 3.56Å; I448-G483 VanDerWaalsContact O-CA 3.29Å; I448-G483 WeakPolarHBondContact O-CA 3.45Å; I448-L484 HydrophobicContact CD1-CD1 4.29Å; I448-L484 HydrophobicContact CG1-CB 4.03Å; I448-L484 HydrophobicContact CG1-CD1 4.09Å; I448-L484 PolarHBondContact N-O 3.45Å; I448-L484 PolarHBondContact O-N 3.12Å
449	K	97.5	Very high	90	Very high	27 Å²	27	42.4 Å²	42.4	12%	0.117	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116	172.8	-175.6	175.5	-174.8	178.5	0	109.2	E277 A439 N440 Y476 A481	E277-K449 HydrophobicContact CB-CD 4.48Å; E277-K449 HydrophobicContact CG-CD 4.42Å; E277-K449 IonicContact OE1-NZ 3.57Å; E277-K449 PolarHBondContact OE1-NZ 3.5Å; E277-K449 IonicContact OE2-NZ 3.98Å; A439-K449 HydrophobicContact CB-CB 4.18Å; A439-K449 HydrophobicContact CB-CD 4.12Å; A439-K449 HydrophobicContact CB-CG 3.96Å; A439-K449 PolarHBondContact N-O 3.4Å; N440-K449 PolarHBondContact OD1-N 2.96Å; K449-Y476 HydrophobicContact CB-CE2 4.42Å; K449-Y476 HydrophobicContact CD-CE1 4.05Å; K449-Y476 HydrophobicContact CD-CE2 4.08Å; K449-Y476 HydrophobicContact CG-CD2 4.4Å; K449-Y476 HydrophobicContact CG-CE2 3.74Å; K449-A481 HydrophobicContact CD-CB 4.39Å; K449-A481 HydrophobicContact CG-CB 3.87Å
450	V	96.9	Very high	89.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.5	-171.3	-173.3	0	0	0	0	109.6	L431 Y436 I438 I448 A481 V482 L484 F502	L431-V450 HydrophobicContact CD1-CG1 4.27Å; L431-V450 HydrophobicContact CD1-CG2 3.7Å; Y436-V450 HydrophobicContact CD1-CG1 3.78Å; Y436-V450 HydrophobicContact CG-CG1 3.86Å; I438-V450 HydrophobicContact CD1-CG1 4.38Å; I438-V450 HydrophobicContact CD1-CG2 3.91Å; I448-V450 HydrophobicContact CD1-CG2 3.92Å; I448-V450 HydrophobicContact CG1-CG2 4.09Å; V450-A481 WeakPolarHBondContact O-CA 3.21Å; V450-V482 HydrophobicContact CB-CG1 3.87Å; V450-V482 HydrophobicContact CG1-CG1 4.49Å; V450-V482 PolarHBondContact N-O 2.84Å; V450-V482 PolarHBondContact O-N 3.19Å; V450-L484 HydrophobicContact CB-CD1 4.44Å; V450-L484 HydrophobicContact CG2-CD1 3.56Å; V450-F502 HydrophobicContact CG1-CE1 4.25Å
451	L	94.5	Very high	89.6	Confident	51 Å²	51	48.9 Å²	48.9	27%	0.267	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.3	174.9	-62.2	170.1	0	0	0	109.7	K437 A439 G480 A481	K437-L451 HydrophobicContact CB-CB 4.22Å; K437-L451 HydrophobicContact CB-CD1 4.44Å; K437-L451 HydrophobicContact CD-CD1 3.93Å; K437-L451 HydrophobicContact CG-CD1 4.16Å; K437-L451 PolarHBondContact N-O 3.33Å; K437-L451 PolarHBondContact O-N 2.94Å; A439-L451 HydrophobicContact CB-CD1 3.9Å; A439-L451 HydrophobicContact CB-CG 3.96Å; L451-G480 WeakPolarHBondContact CD2-O 3.43Å; L451-A481 HydrophobicContact CD2-CB 3.87Å
452	P	86.8	Confident	89.6	Confident	39 Å²	39	43.4 Å²	43.4	25%	0.253	22%	0.222	S	C	.	.			trans	-52.2	135.5	165.2	-29.9	39.8	0	0	0	111.9	N457 L459 I462 G480	P452-N457 VanDerWaalsContact CB-O 3.32Å; P452-N457 WeakPolarHBondContact CB-O 3.4Å; P452-L459 HydrophobicContact CG-CD1 4.32Å; P452-I462 HydrophobicContact CG-CD1 4.26Å; P452-G480 WeakPolarHBondContact CD-O 3.09Å
453	N	78.2	Confident	89.5	Confident	83 Å²	83	46.1 Å²	46.1	44%	0.444	23%	0.233	S	C	.	.			trans	-116.1	-12.6	-173.3	78.2	-26.1	0	0	0	114.9	G435	G435-N453 WeakPolarHBondContact CA-ND2 3.47Å; G435-N453 WeakPolarHBondContact O-CB 3.45Å; G435-N453 PolarHBondContact O-ND2 2.67Å
454	S	72.5	Confident	89.4	Confident	47 Å²	47	53.3 Å²	53.3	33%	0.329	26%	0.26	S	S	.	.	S	Bend	trans	-147.9	165.2	-171.3	76.2	0	0	0	0	111.9	Q456 N457 C458	S454-Q456 VanDerWaalsContact C-N 3.28Å; S454-Q456 PolarHBondContact O-N 3.03Å; S454-N457 CarbonylContact O-C 3.48Å; S454-N457 PolarHBondContact O-N 2.95Å; S454-N457 WeakPolarHBondContact OG-CB 3.41Å; S454-N457 PolarHBondContact OG-N 3.27Å; S454-N457 VanDerWaalsContact OG-N 3.16Å; S454-C458 PolarHBondContact O-N 2.89Å; S454-C458 VanDerWaalsContact O-N 3.13Å
455	K	69	Low	89.4	Confident	201 Å²	201	54.8 Å²	54.8	87%	0.874	27%	0.267	S	S	*	.	S	Bend	trans	-61.4	-34.8	175.3	-73.3	-173.6	177.8	-179.2	0	112.8	C458	K455-C458 WeakPolarHBondContact O-CB 3.37Å; K455-C458 PolarHBondContact O-SG 3.28Å; K455-C458 VanDerWaalsContact O-SG 3.35Å
456	Q	69.2	Low	89.3	Confident	161 Å²	161	54.8 Å²	54.8	75%	0.752	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-32.5	-179.5	-71.5	171.5	-11.8	0	0	112	S454 S461	S454-Q456 VanDerWaalsContact C-N 3.28Å; S454-Q456 PolarHBondContact O-N 3.03Å; Q456-S461 WeakPolarHBondContact O-CB 3.48Å; Q456-S461 PolarHBondContact O-OG 2.92Å; Q456-S461 VanDerWaalsContact O-OG 3.12Å
457	N	77.2	Confident	89.2	Confident	26 Å²	26	61.3 Å²	61.3	14%	0.139	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	32.5	179.3	-69.5	-12.9	0	0	0	111.8	A434 Y436 P452 S454	A434-N457 PolarHBondContact O-ND2 3.19Å; Y436-N457 HydrophobicContact CE1-CB 3.7Å; Y436-N457 HydrophobicContact CE2-CB 4.44Å; Y436-N457 VanDerWaalsContact OH-CB 3.26Å; Y436-N457 WeakPolarHBondContact OH-CB 3.49Å; Y436-N457 VanDerWaalsContact OH-CG 3.26Å; Y436-N457 PolarHBondContact OH-OD1 3.49Å; P452-N457 VanDerWaalsContact CB-O 3.32Å; P452-N457 WeakPolarHBondContact CB-O 3.4Å; S454-N457 CarbonylContact O-C 3.48Å; S454-N457 PolarHBondContact O-N 2.95Å; S454-N457 WeakPolarHBondContact OG-CB 3.41Å; S454-N457 PolarHBondContact OG-N 3.27Å; S454-N457 VanDerWaalsContact OG-N 3.16Å
458	C	86.2	Confident	89.2	Confident	38 Å²	38	65.6 Å²	65.6	26%	0.257	31%	0.314	S	S	.	.			trans	-75.9	162.4	-179.5	72	0	0	0	0	111.6	S454 K455 Q460 S461 I462	S454-C458 PolarHBondContact O-N 2.89Å; S454-C458 VanDerWaalsContact O-N 3.13Å; K455-C458 WeakPolarHBondContact O-CB 3.37Å; K455-C458 PolarHBondContact O-SG 3.28Å; K455-C458 VanDerWaalsContact O-SG 3.35Å; C458-Q460 PolarHBondContact O-N 2.64Å; C458-S461 WeakPolarHBondContact O-CB 3.47Å; C458-S461 PolarHBondContact O-N 2.67Å; C458-I462 PolarHBondContact O-N 3.5Å; C458-I462 VanDerWaalsContact O-N 3.15Å
459	L	90.4	Very high	89.2	Confident	31 Å²	31	68.9 Å²	68.9	16%	0.162	33%	0.329	C	S	.	.	H	α-helix	trans	-55.8	-37.9	-178.3	-162.8	69.5	0	0	0	113.1	P452 S461 I462 Q463 Y475 V482	P452-L459 HydrophobicContact CG-CD1 4.32Å; L459-S461 PolarHBondContact O-N 2.89Å; L459-I462 PolarHBondContact O-N 3.34Å; L459-Q463 WeakPolarHBondContact O-CB 3.5Å; L459-Q463 WeakPolarHBondContact O-CG 3.44Å; L459-Q463 PolarHBondContact O-N 3.06Å; L459-Y475 HydrophobicContact CD1-CD1 3.88Å; L459-Y475 HydrophobicContact CD1-CE1 4.16Å; L459-Y475 HydrophobicContact CD2-CD1 4.37Å; L459-Y475 HydrophobicContact CG-CD1 4.2Å; L459-Y475 HydrophobicContact CG-CE1 4.48Å; L459-V482 HydrophobicContact CD1-CB 4.1Å
460	Q	90.4	Very high	89.2	Confident	152 Å²	152	75.4 Å²	75.4	71%	0.71	35%	0.353	S	S	*	.	H	α-helix	trans	-63.8	-39.1	177.9	-66.9	175	-3	0	0	112.3	C458 Q463 R464	C458-Q460 PolarHBondContact O-N 2.64Å; Q460-Q463 PolarHBondContact O-N 2.95Å; Q460-R464 WeakPolarHBondContact O-CB 3.06Å; Q460-R464 PolarHBondContact O-N 3.41Å
461	S	92.1	Very high	89.3	Confident	20 Å²	20	75.6 Å²	75.6	14%	0.14	35%	0.354	C	S	.	.	H	α-helix	trans	-65.2	-44.6	176.2	-175.2	0	0	0	0	110.9	Q456 C458 L459 R464 K465	Q456-S461 WeakPolarHBondContact O-CB 3.48Å; Q456-S461 PolarHBondContact O-OG 2.92Å; Q456-S461 VanDerWaalsContact O-OG 3.12Å; C458-S461 WeakPolarHBondContact O-CB 3.47Å; C458-S461 PolarHBondContact O-N 2.67Å; L459-S461 PolarHBondContact O-N 2.89Å; S461-R464 PolarHBondContact O-N 3Å; S461-K465 WeakPolarHBondContact O-CG 3.48Å; S461-K465 PolarHBondContact O-N 3.4Å
462	I	95.2	Very high	89.5	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-49.6	175.4	-65.1	167.9	0	0	0	110.3	Y436 P452 C458 L459 R464 K465 A466 L473 V482 I501 F502	Y436-I462 HydrophobicContact CE1-CD1 3.95Å; P452-I462 HydrophobicContact CG-CD1 4.26Å; C458-I462 PolarHBondContact O-N 3.5Å; C458-I462 VanDerWaalsContact O-N 3.15Å; L459-I462 PolarHBondContact O-N 3.34Å; I462-R464 PolarHBondContact O-N 3.11Å; I462-K465 PolarHBondContact O-N 3.33Å; I462-A466 WeakPolarHBondContact O-CB 3.31Å; I462-A466 PolarHBondContact O-N 2.96Å; I462-L473 HydrophobicContact CG2-CD1 3.85Å; I462-V482 HydrophobicContact CD1-CG1 4.32Å; I462-I501 HydrophobicContact CG2-CG2 3.9Å; I462-F502 HydrophobicContact CD1-CD1 4.14Å; I462-F502 HydrophobicContact CD1-CE1 3.91Å; I462-F502 HydrophobicContact CG1-CD1 4.43Å; I462-F502 HydrophobicContact CG1-CE1 4.41Å; I462-F502 HydrophobicContact CG2-CE1 4.25Å; I462-F502 HydrophobicContact CG2-CZ 4.11Å
463	Q	94.3	Very high	90	Very high	77 Å²	77	72.1 Å²	72.1	36%	0.36	33%	0.333	S	S	.	.	H	α-helix	trans	-56.6	-47.3	178.1	-80.1	174.2	-19.5	0	0	112.2	L459 Q460 A466 F467 Y475	L459-Q463 WeakPolarHBondContact O-CB 3.5Å; L459-Q463 WeakPolarHBondContact O-CG 3.44Å; L459-Q463 PolarHBondContact O-N 3.06Å; Q460-Q463 PolarHBondContact O-N 2.95Å; Q463-A466 PolarHBondContact O-N 3.48Å; Q463-F467 WeakPolarHBondContact O-CB 3.44Å; Q463-F467 PolarHBondContact O-N 3.04Å; Q463-Y475 HydrophobicContact CG-CD1 4.01Å; Q463-Y475 HydrophobicContact CG-CE1 3.24Å; Q463-Y475 HydrophobicContact CG-CE2 4.2Å; Q463-Y475 WeakPolarHBondContact CG-OH 3.33Å
464	R	95.6	Very high	90.9	Very high	152 Å²	152	69.2 Å²	69.2	57%	0.574	32%	0.318	S	S	*	.	H	α-helix	trans	-61.3	-49.5	178.8	-172.6	-174.3	68.7	-163.2	-5.3	111.5	Q460 S461 I462 A466 F467 E468	Q460-R464 WeakPolarHBondContact O-CB 3.06Å; Q460-R464 PolarHBondContact O-N 3.41Å; S461-R464 PolarHBondContact O-N 3Å; I462-R464 PolarHBondContact O-N 3.11Å; R464-A466 PolarHBondContact O-N 3.17Å; R464-F467 WeakPolarHBondContact O-CB 3.41Å; R464-F467 PolarHBondContact O-N 3.33Å; R464-E468 WeakPolarHBondContact CG-OE1 3.22Å; R464-E468 IonicContact NE-OE1 3.5Å; R464-E468 PolarHBondContact NE-OE1 3.48Å; R464-E468 WeakPolarHBondContact O-CG 3.46Å; R464-E468 PolarHBondContact O-N 3.06Å
465	K	96.9	Very high	92	Very high	32 Å²	32	70.7 Å²	70.7	14%	0.139	32%	0.317	C	S	.	.	H	α-helix	trans	-67.7	-36.1	-179.8	-67.7	171.9	171.7	-172.3	0	112.5	S461 I462 F467 E468 K469 Y500 I501	S461-K465 WeakPolarHBondContact O-CG 3.48Å; S461-K465 PolarHBondContact O-N 3.4Å; I462-K465 PolarHBondContact O-N 3.33Å; K465-F467 VanDerWaalsContact C-N 3.32Å; K465-E468 WeakPolarHBondContact O-CB 3.25Å; K465-E468 PolarHBondContact O-N 3.49Å; K465-K469 WeakPolarHBondContact O-CB 3.2Å; K465-K469 WeakPolarHBondContact O-CG 3.4Å; K465-K469 PolarHBondContact O-N 2.9Å; K465-Y500 HydrophobicContact CB-CD1 4.43Å; K465-Y500 HydrophobicContact CB-CE1 4.06Å; K465-Y500 HydrophobicContact CD-CE1 4.41Å; K465-Y500 HydrophobicContact CG-CE1 4.03Å; K465-Y500 PolarHBondContact NZ-O 3.41Å; K465-I501 HydrophobicContact CB-CB 4.37Å; K465-I501 HydrophobicContact CB-CG1 4.2Å; K465-I501 HydrophobicContact CB-CG2 4.44Å; K465-I501 WeakPolarHBondContact CD-O 3.41Å
466	A	97.5	Very high	93.1	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-63.8	-41.5	174.4	0	0	0	0	0	110.8	I462 Q463 R464 K469 R470 V471 L473 I501	I462-A466 WeakPolarHBondContact O-CB 3.31Å; I462-A466 PolarHBondContact O-N 2.96Å; Q463-A466 PolarHBondContact O-N 3.48Å; R464-A466 PolarHBondContact O-N 3.17Å; A466-K469 CarbonylContact O-C 3.49Å; A466-K469 PolarHBondContact O-N 3.38Å; A466-R470 PolarHBondContact O-N 2.67Å; A466-V471 HydrophobicContact CB-CB 4.5Å; A466-V471 PolarHBondContact O-N 3.41Å; A466-L473 HydrophobicContact CB-CD1 4.25Å; A466-I501 HydrophobicContact CB-CD1 4.19Å; A466-I501 HydrophobicContact CB-CG1 4.44Å; A466-I501 HydrophobicContact CB-CG2 4.13Å
467	F	96.8	Very high	93.9	Very high	142 Å²	142	61.3 Å²	61.3	62%	0.623	29%	0.287	S	S	*	.	H	α-helix	trans	-60.4	-48.5	171.7	-178.2	-82.4	0	0	0	112	W132 Q463 R464 K465 K469 R470	W132-F467 HydrophobicContact CH2-CB 4.33Å; W132-F467 AromaticContact CH2-CD2 3.5Å; W132-F467 HydrophobicContact CH2-CD2 3.5Å; W132-F467 AromaticContact CH2-CE2 3.87Å; W132-F467 HydrophobicContact CH2-CE2 3.87Å; W132-F467 AromaticContact CH2-CG 3.99Å; W132-F467 HydrophobicContact CH2-CG 3.99Å; W132-F467 HydrophobicContact CZ2-CD2 4.38Å; W132-F467 HydrophobicContact CZ2-CE2 4.33Å; W132-F467 HydrophobicContact CZ3-CD2 4.35Å; Q463-F467 WeakPolarHBondContact O-CB 3.44Å; Q463-F467 PolarHBondContact O-N 3.04Å; R464-F467 WeakPolarHBondContact O-CB 3.41Å; R464-F467 PolarHBondContact O-N 3.33Å; K465-F467 VanDerWaalsContact C-N 3.32Å; F467-K469 PolarHBondContact O-N 2.86Å; F467-R470 PolarHBondContact O-N 2.85Å
468	E	97.5	Very high	94.3	Very high	97 Å²	97	65.6 Å²	65.6	45%	0.453	31%	0.31	S	S	.	.	H	α-helix	trans	-55.6	-36.6	176	-72	164.1	-165.3	0	0	112.3	R464 K465 Y500	R464-E468 WeakPolarHBondContact CG-OE1 3.22Å; R464-E468 IonicContact NE-OE1 3.5Å; R464-E468 PolarHBondContact NE-OE1 3.48Å; R464-E468 WeakPolarHBondContact O-CG 3.46Å; R464-E468 PolarHBondContact O-N 3.06Å; K465-E468 WeakPolarHBondContact O-CB 3.25Å; K465-E468 PolarHBondContact O-N 3.49Å; E468-Y500 PolarHBondContact OE2-OH 2.93Å
469	K	98.1	Very high	94	Very high	69 Å²	69	65.9 Å²	65.9	30%	0.3	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	2.7	178.9	-65.4	-57.9	-169.1	155.9	0	114.5	R133 K465 A466 F467 V471 D497 Y500 I501	R133-K469 PolarHBondContact NH2-O 2.9Å; K465-K469 WeakPolarHBondContact O-CB 3.2Å; K465-K469 WeakPolarHBondContact O-CG 3.4Å; K465-K469 PolarHBondContact O-N 2.9Å; A466-K469 CarbonylContact O-C 3.49Å; A466-K469 PolarHBondContact O-N 3.38Å; F467-K469 PolarHBondContact O-N 2.86Å; K469-V471 VanDerWaalsContact C-N 3.34Å; K469-V471 HydrophobicContact CB-CG2 4.14Å; K469-V471 PolarHBondContact O-N 2.95Å; K469-D497 HydrophobicContact CB-CB 4.38Å; K469-D497 HydrophobicContact CD-CB 4.31Å; K469-D497 WeakPolarHBondContact CD-OD1 3.24Å; K469-D497 WeakPolarHBondContact CE-OD1 3.35Å; K469-D497 HydrophobicContact CG-CB 4.24Å; K469-D497 IonicContact NZ-OD1 2.73Å; K469-D497 PolarHBondContact NZ-OD1 3.18Å; K469-Y500 HydrophobicContact CD-CD1 4.29Å; K469-Y500 VanDerWaalsContact CE-CD1 3.47Å; K469-Y500 HydrophobicContact CG-CD1 3.88Å; K469-Y500 HydrophobicContact CG-CE1 4.28Å; K469-I501 HydrophobicContact CB-CD1 4.09Å; K469-I501 HydrophobicContact CB-CG1 4.34Å; K469-I501 HydrophobicContact CG-CD1 4.43Å; K469-I501 HydrophobicContact CG-CG1 4.19Å
470	R	98	Very high	93.9	Very high	164 Å²	164	66 Å²	66	62%	0.619	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	51.2	-175.8	-60.7	-178.5	173.6	-177.9	-4.1	112.5	W132 R133 A466 F467	W132-R470 WeakPolarHBondContact CB-O 3.43Å; W132-R470 VanDerWaalsContact CD2-CA 3.47Å; W132-R470 HydrophobicContact CD2-CB 3.69Å; W132-R470 HydrophobicContact CD2-CG 4.28Å; W132-R470 VanDerWaalsContact CE3-CA 3.46Å; W132-R470 HydrophobicContact CE3-CB 4.22Å; W132-R470 HydrophobicContact CG-CB 3.85Å; W132-R470 HydrophobicContact CZ2-CB 4.33Å; W132-R470 HydrophobicContact CZ2-CG 4.05Å; R133-R470 PolarHBondContact N-O 2.98Å; A466-R470 PolarHBondContact O-N 2.67Å; F467-R470 PolarHBondContact O-N 2.85Å
471	V	98.5	Very high	94	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.8	177.7	174.9	0	0	0	0	109.7	R133 Y135 A466 K469 L473 L498 I501	R133-V471 HydrophobicContact CB-CG2 4.44Å; R133-V471 CarbonylContact O-C 3.42Å; R133-V471 VanDerWaalsContact O-CA 3.31Å; R133-V471 WeakPolarHBondContact O-CA 3.49Å; Y135-V471 HydrophobicContact CD2-CG1 3.66Å; Y135-V471 HydrophobicContact CE2-CG1 3.94Å; A466-V471 HydrophobicContact CB-CB 4.5Å; A466-V471 PolarHBondContact O-N 3.41Å; K469-V471 VanDerWaalsContact C-N 3.34Å; K469-V471 HydrophobicContact CB-CG2 4.14Å; K469-V471 PolarHBondContact O-N 2.95Å; V471-L473 HydrophobicContact CG1-CD2 3.74Å; V471-L473 HydrophobicContact CG1-CG 4.21Å; V471-L498 HydrophobicContact CG1-CD2 4.34Å; V471-I501 HydrophobicContact CB-CD1 3.87Å; V471-I501 HydrophobicContact CG1-CD1 4.15Å; V471-I501 HydrophobicContact CG2-CD1 3.88Å
472	N	98.4	Very high	94.3	Very high	10 Å²	10	57.9 Å²	57.9	5%	0.053	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.9	169.5	-63.3	-49.9	0	0	0	110.5	W132 R133 S134 Y135 I136 V593 Q597	W132-N472 WeakPolarHBondContact CB-ND2 3.41Å; R133-N472 PolarHBondContact O-N 3.18Å; S134-N472 PolarHBondContact OG-ND2 3.13Å; Y135-N472 PolarHBondContact N-O 3.04Å; I136-N472 HydrophobicContact CD1-CB 3.87Å; I136-N472 HydrophobicContact CG1-CB 4.01Å; N472-V593 WeakPolarHBondContact ND2-CG1 3.41Å; N472-Q597 PolarHBondContact ND2-OE1 3.1Å; N472-Q597 PolarHBondContact OD1-NE2 2.86Å; N472-Q597 PolarHBondContact OD1-OE1 3.42Å
473	L	98.2	Very high	94.4	Very high	7 Å²	7	58 Å²	58	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	160.7	175.2	-55.4	179.1	0	0	0	109.1	Y135 I462 A466 V471 Y475 V482 L484 L498 I501 F502	Y135-L473 HydrophobicContact CD2-CD2 4.31Å; I462-L473 HydrophobicContact CG2-CD1 3.85Å; A466-L473 HydrophobicContact CB-CD1 4.25Å; V471-L473 HydrophobicContact CG1-CD2 3.74Å; V471-L473 HydrophobicContact CG1-CG 4.21Å; L473-Y475 HydrophobicContact CB-CE2 4.43Å; L473-Y475 WeakPolarHBondContact O-CD2 3.44Å; L473-Y475 WeakPolarHBondContact O-CE2 3.16Å; L473-V482 HydrophobicContact CB-CG2 3.66Å; L473-V482 HydrophobicContact CD1-CG2 3.8Å; L473-V482 HydrophobicContact CG-CG2 4.36Å; L473-L484 HydrophobicContact CD1-CD2 4.43Å; L473-L484 HydrophobicContact CD2-CD2 3.56Å; L473-L484 HydrophobicContact CD2-CG 3.94Å; L473-L498 HydrophobicContact CD2-CD2 4.44Å; L473-I501 HydrophobicContact CD1-CG2 4.35Å; L473-F502 HydrophobicContact CD1-CE2 4.05Å; L473-F502 HydrophobicContact CD1-CZ 3.92Å
474	L	97.3	Very high	94.6	Very high	23 Å²	23	54.3 Å²	54.3	12%	0.12	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	121.2	173.9	176.2	63	0	0	0	110	I136 Q138 Y476 V482 G483	I136-L474 HydrophobicContact CG2-CB 4.33Å; I136-L474 HydrophobicContact CG2-CD1 4.24Å; Q138-L474 HydrophobicContact CG-CD2 4.23Å; L474-Y476 HydrophobicContact CD2-CE2 4.14Å; L474-Y476 HydrophobicContact CG-CE2 4.4Å; L474-V482 CarbonylContact O-C 3.51Å; L474-V482 VanDerWaalsContact O-CA 3.3Å; L474-V482 WeakPolarHBondContact O-CA 3.16Å; L474-V482 WeakPolarHBondContact O-CG2 3.32Å; L474-G483 PolarHBondContact N-O 3.49Å; L474-G483 PolarHBondContact O-N 2.85Å
475	Y	95.4	Very high	94.7	Very high	77 Å²	77	47.2 Å²	47.2	30%	0.302	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.2	173.5	-59.7	-76.3	0	0	0	109.5	L459 Q463 L473 V482	L459-Y475 HydrophobicContact CD1-CD1 3.88Å; L459-Y475 HydrophobicContact CD1-CE1 4.16Å; L459-Y475 HydrophobicContact CD2-CD1 4.37Å; L459-Y475 HydrophobicContact CG-CD1 4.2Å; L459-Y475 HydrophobicContact CG-CE1 4.48Å; Q463-Y475 HydrophobicContact CG-CD1 4.01Å; Q463-Y475 HydrophobicContact CG-CE1 3.24Å; Q463-Y475 HydrophobicContact CG-CE2 4.2Å; Q463-Y475 WeakPolarHBondContact CG-OH 3.33Å; L473-Y475 HydrophobicContact CB-CE2 4.43Å; L473-Y475 WeakPolarHBondContact O-CD2 3.44Å; L473-Y475 WeakPolarHBondContact O-CE2 3.16Å; Y475-V482 HydrophobicContact CD1-CG2 4.2Å; Y475-V482 HydrophobicContact CE1-CG2 4.01Å
476	Y	92.7	Very high	94.8	Very high	26 Å²	26	45.8 Å²	45.8	10%	0.102	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-72.4	141.4	-178.3	-75.4	-98.3	0	0	0	110.7	E277 K449 L474 D478 G479 A481	E277-Y476 HydrophobicContact CG-CE1 4.19Å; K449-Y476 HydrophobicContact CB-CE2 4.42Å; K449-Y476 HydrophobicContact CD-CE1 4.05Å; K449-Y476 HydrophobicContact CD-CE2 4.08Å; K449-Y476 HydrophobicContact CG-CD2 4.4Å; K449-Y476 HydrophobicContact CG-CE2 3.74Å; L474-Y476 HydrophobicContact CD2-CE2 4.14Å; L474-Y476 HydrophobicContact CG-CE2 4.4Å; Y476-D478 WeakPolarHBondContact CB-OD1 3.05Å; Y476-D478 PolarHBondContact O-N 3.46Å; Y476-D478 VanDerWaalsContact O-N 3.13Å; Y476-G479 PolarHBondContact O-N 2.84Å; Y476-A481 HydrophobicContact CD2-CB 3.7Å; Y476-A481 HydrophobicContact CE2-CB 4.35Å; Y476-A481 HydrophobicContact CG-CB 4.11Å; Y476-A481 PolarHBondContact N-O 3.46Å; Y476-A481 VanDerWaalsContact N-O 3.16Å
477	P	85.2	Confident	94.9	Very high	140 Å²	140	45.9 Å²	45.9	91%	0.909	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.2	-173.9	-26.9	35	0	0	0	115.4	G479	P477-G479 PolarHBondContact O-N 3.28Å
478	D	85.6	Confident	95	Very high	115 Å²	115	39.7 Å²	39.7	62%	0.615	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.1	175.6	64	3.3	0	0	0	113.4	Y476 G480	Y476-D478 WeakPolarHBondContact CB-OD1 3.05Å; Y476-D478 PolarHBondContact O-N 3.46Å; Y476-D478 VanDerWaalsContact O-N 3.13Å; D478-G480 PolarHBondContact O-N 2.99Å; D478-G480 PolarHBondContact OD1-N 3.35Å
479	G	81	Confident	95	Very high	45 Å²	45	37.5 Å²	37.5	46%	0.464	21%	0.206	S	C	.	.	S	Bend	trans	68.7	6.1	-178.2	0	0	0	0	0	114.1	Y476 P477	Y476-G479 PolarHBondContact O-N 2.84Å; P477-G479 PolarHBondContact O-N 3.28Å
480	G	86.6	Confident	95	Very high	34 Å²	34	34.3 Å²	34.3	35%	0.351	19%	0.193	S	C	.	.	S	Bend	trans	-95.5	-16.4	-170.9	0	0	0	0	0	114.6	L451 P452 D478	L451-G480 WeakPolarHBondContact CD2-O 3.43Å; P452-G480 WeakPolarHBondContact CD-O 3.09Å; D478-G480 PolarHBondContact O-N 2.99Å; D478-G480 PolarHBondContact OD1-N 3.35Å
481	A	94.3	Very high	95	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	18%	0.183	C	C	.	.			trans	-143.4	158.7	-172.6	0	0	0	0	0	113.3	K449 V450 L451 Y476	K449-A481 HydrophobicContact CD-CB 4.39Å; K449-A481 HydrophobicContact CG-CB 3.87Å; V450-A481 WeakPolarHBondContact O-CA 3.21Å; L451-A481 HydrophobicContact CD2-CB 3.87Å; Y476-A481 HydrophobicContact CD2-CB 3.7Å; Y476-A481 HydrophobicContact CE2-CB 4.35Å; Y476-A481 HydrophobicContact CG-CB 4.11Å; Y476-A481 PolarHBondContact N-O 3.46Å; Y476-A481 VanDerWaalsContact N-O 3.16Å
482	V	96.6	Very high	94.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.8	168.9	64.3	0	0	0	0	109.9	V450 L459 I462 L473 L474 Y475 L484 F502	V450-V482 HydrophobicContact CB-CG1 3.87Å; V450-V482 HydrophobicContact CG1-CG1 4.49Å; V450-V482 PolarHBondContact N-O 2.84Å; V450-V482 PolarHBondContact O-N 3.19Å; L459-V482 HydrophobicContact CD1-CB 4.1Å; I462-V482 HydrophobicContact CD1-CG1 4.32Å; L473-V482 HydrophobicContact CB-CG2 3.66Å; L473-V482 HydrophobicContact CD1-CG2 3.8Å; L473-V482 HydrophobicContact CG-CG2 4.36Å; L474-V482 CarbonylContact O-C 3.51Å; L474-V482 VanDerWaalsContact O-CA 3.3Å; L474-V482 WeakPolarHBondContact O-CA 3.16Å; L474-V482 WeakPolarHBondContact O-CG2 3.32Å; Y475-V482 HydrophobicContact CD1-CG2 4.2Å; Y475-V482 HydrophobicContact CE1-CG2 4.01Å; V482-L484 HydrophobicContact CG1-CD1 4.42Å; V482-F502 HydrophobicContact CG1-CE1 3.75Å; V482-F502 HydrophobicContact CG1-CZ 3.96Å
483	G	97.8	Very high	94.8	Very high	1 Å²	1	40 Å²	40	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	143.5	176.3	0	0	0	0	0	111.5	I448 L474	I448-G483 CarbonylContact O-C 3.56Å; I448-G483 VanDerWaalsContact O-CA 3.29Å; I448-G483 WeakPolarHBondContact O-CA 3.45Å; L474-G483 PolarHBondContact N-O 3.49Å; L474-G483 PolarHBondContact O-N 2.85Å
484	L	98.1	Very high	94.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	122.9	174.9	-57.3	97.6	0	0	0	109.7	Y135 L427 T447 I448 V450 L473 V482 L498 F502	Y135-L484 WeakPolarHBondContact O-CA 3.4Å; L427-L484 HydrophobicContact CD2-CD2 4.24Å; T447-L484 CarbonylContact C-O 3.36Å; T447-L484 VanDerWaalsContact CA-O 3.25Å; T447-L484 WeakPolarHBondContact CA-O 3.49Å; I448-L484 HydrophobicContact CD1-CD1 4.29Å; I448-L484 HydrophobicContact CG1-CB 4.03Å; I448-L484 HydrophobicContact CG1-CD1 4.09Å; I448-L484 PolarHBondContact N-O 3.45Å; I448-L484 PolarHBondContact O-N 3.12Å; V450-L484 HydrophobicContact CB-CD1 4.44Å; V450-L484 HydrophobicContact CG2-CD1 3.56Å; L473-L484 HydrophobicContact CD1-CD2 4.43Å; L473-L484 HydrophobicContact CD2-CD2 3.56Å; L473-L484 HydrophobicContact CD2-CG 3.94Å; V482-L484 HydrophobicContact CG1-CD1 4.42Å; L484-L498 HydrophobicContact CD2-CD2 4.01Å; L484-F502 HydrophobicContact CD1-CE1 4.39Å; L484-F502 HydrophobicContact CD1-CE2 4.36Å; L484-F502 HydrophobicContact CD1-CZ 3.72Å; L484-F502 HydrophobicContact CD2-CE2 3.52Å; L484-F502 HydrophobicContact CD2-CZ 3.71Å; L484-F502 HydrophobicContact CG-CZ 4.22Å
485	S	98.8	Very high	94.8	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	109.6	171.5	-61.8	0	0	0	0	110.1	Y135 G137 D446 T447	Y135-S485 WeakPolarHBondContact CB-O 2.93Å; Y135-S485 WeakPolarHBondContact CD1-O 3.36Å; Y135-S485 PolarHBondContact O-N 3.49Å; G137-S485 VanDerWaalsContact CA-OG 3.31Å; G137-S485 WeakPolarHBondContact CA-OG 3.41Å; D446-S485 WeakPolarHBondContact O-CA 3.43Å; T447-S485 WeakPolarHBondContact CG2-OG 3.47Å; T447-S485 WeakPolarHBondContact OG1-CB 3.31Å; T447-S485 PolarHBondContact OG1-OG 3.01Å
486	I	98.6	Very high	94.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	25%	0.246	C	C	.	.			trans	-78	143.8	179.4	-56.8	-55.4	0	0	0	109.9	I420 N423 L427 D446 L490 L498	I420-I486 HydrophobicContact CG2-CB 4.4Å; I420-I486 HydrophobicContact CG2-CG2 4.28Å; I420-I486 WeakPolarHBondContact CG2-O 3.11Å; N423-I486 HydrophobicContact CB-CG2 4.25Å; L427-I486 HydrophobicContact CD2-CD1 3.84Å; L427-I486 HydrophobicContact CD2-CG1 4.26Å; D446-I486 VanDerWaalsContact CB-O 3.26Å; D446-I486 WeakPolarHBondContact CB-O 3.47Å; D446-I486 PolarHBondContact O-N 3.38Å; I486-L490 HydrophobicContact CG2-CB 4.25Å; I486-L490 HydrophobicContact CG2-CD2 3.72Å; I486-L490 HydrophobicContact CG2-CG 4.42Å; I486-L498 HydrophobicContact CD1-CD1 3.95Å
487	D	98.7	Very high	95.1	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	25%	0.246	C	C	.	.			trans	-135.9	-176.4	-175.4	70.3	43.2	0	0	0	112.9	G142 T489 L490	G142-D487 VanDerWaalsContact CA-CG 3.43Å; G142-D487 VanDerWaalsContact CA-OD2 3.25Å; G142-D487 WeakPolarHBondContact CA-OD2 3.44Å; G142-D487 PolarHBondContact N-OD2 3.14Å; G142-D487 WeakPolarHBondContact O-CB 3.37Å; D487-T489 PolarHBondContact O-N 3.16Å; D487-T489 WeakPolarHBondContact OD1-CB 3.45Å; D487-T489 PolarHBondContact OD1-N 3.09Å; D487-T489 PolarHBondContact OD1-OG1 2.69Å; D487-L490 PolarHBondContact O-N 2.81Å
488	E	98.7	Very high	95.7	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.051	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.3	-174.1	-176.1	179.6	-161	0	0	112.5	G142 T143 I144 Y404 I416 R419 I420 L490	G142-E488 PolarHBondContact O-N 3.13Å; T143-E488 WeakPolarHBondContact CA-OE2 3.45Å; T143-E488 PolarHBondContact OG1-OE2 3.3Å; I144-E488 HydrophobicContact CB-CG 4.47Å; I144-E488 HydrophobicContact CD1-CG 3.98Å; I144-E488 HydrophobicContact CG1-CG 4.01Å; I144-E488 PolarHBondContact N-OE2 3.08Å; Y404-E488 PolarHBondContact OH-OE1 3.22Å; Y404-E488 PolarHBondContact OH-OE2 3.16Å; I416-E488 HydrophobicContact CG2-CB 4.36Å; I416-E488 HydrophobicContact CG2-CG 3.92Å; R419-E488 PolarHBondContact NH1-O 3.06Å; R419-E488 PolarHBondContact NH2-O 3.13Å; I420-E488 HydrophobicContact CD1-CB 4.26Å; E488-L490 VanDerWaalsContact C-N 3.32Å; E488-L490 PolarHBondContact O-N 2.76Å
489	T	98.3	Very high	96.2	Very high	51 Å²	51	28.1 Å²	28.1	31%	0.313	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.4	-171.4	71.3	0	0	0	0	113.6	I144 D487 T491	I144-T489 HydrophobicContact CG1-CG2 4.42Å; D487-T489 PolarHBondContact O-N 3.16Å; D487-T489 WeakPolarHBondContact OD1-CB 3.45Å; D487-T489 PolarHBondContact OD1-N 3.09Å; D487-T489 PolarHBondContact OD1-OG1 2.69Å; T489-T491 PolarHBondContact O-N 3.24Å
490	L	98.1	Very high	96.9	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	17%	0.174	C	C	.	.			trans	-57.2	110	-173.7	-171.3	83.1	0	0	0	113.7	Y135 R419 N423 I486 D487 E488 D494 F495 L498	Y135-L490 HydrophobicContact CE1-CD1 4.15Å; Y135-L490 WeakPolarHBondContact OH-CD1 3.48Å; R419-L490 PolarHBondContact NH2-O 3.4Å; N423-L490 HydrophobicContact CB-CD2 3.63Å; I486-L490 HydrophobicContact CG2-CB 4.25Å; I486-L490 HydrophobicContact CG2-CD2 3.72Å; I486-L490 HydrophobicContact CG2-CG 4.42Å; D487-L490 PolarHBondContact O-N 2.81Å; E488-L490 VanDerWaalsContact C-N 3.32Å; E488-L490 PolarHBondContact O-N 2.76Å; L490-D494 HydrophobicContact CD1-CB 3.69Å; L490-D494 HydrophobicContact CG-CB 4.37Å; L490-F495 HydrophobicContact CD2-CD2 3.95Å; L490-L498 HydrophobicContact CD1-CD1 3.93Å
491	T	97.7	Very high	97.4	Very high	68 Å²	68	29.6 Å²	29.6	42%	0.417	16%	0.157	S	C	.	.			trans	-87.3	171.8	172.3	71.7	0	0	0	0	112.2	T489 E493 D494 F495	T489-T491 PolarHBondContact O-N 3.24Å; T491-E493 PolarHBondContact O-N 3.12Å; T491-E493 PolarHBondContact OG1-N 3.11Å; T491-D494 WeakPolarHBondContact CB-OD2 3.39Å; T491-D494 WeakPolarHBondContact CG2-OD2 3.48Å; T491-D494 PolarHBondContact N-OD2 3.27Å; T491-D494 PolarHBondContact O-N 2.96Å; T491-D494 PolarHBondContact OG1-N 3.47Å; T491-D494 VanDerWaalsContact OG1-N 3.17Å; T491-D494 PolarHBondContact OG1-OD1 3.43Å; T491-D494 PolarHBondContact OG1-OD2 2.6Å; T491-F495 PolarHBondContact O-N 3.15Å
492	S	96.3	Very high	97.5	Very high	90 Å²	90	29.5 Å²	29.5	63%	0.629	16%	0.157	S	C	*	.	H	α-helix	trans	-63.4	-30.6	173	-66.2	0	0	0	0	113.1	N496 R506	S492-N496 PolarHBondContact O-N 3.29Å; S492-N496 PolarHBondContact O-ND2 2.76Å; S492-R506 PolarHBondContact O-NH2 2.72Å
493	E	97.2	Very high	97.3	Very high	138 Å²	138	31.5 Å²	31.5	65%	0.645	18%	0.177	S	C	*	.	H	α-helix	trans	-72.2	-45.4	176.5	-176.8	173.5	-173.9	0	0	110.5	T491 F495 N496 D497	T491-E493 PolarHBondContact O-N 3.12Å; T491-E493 PolarHBondContact OG1-N 3.11Å; E493-F495 VanDerWaalsContact C-N 3.27Å; E493-F495 PolarHBondContact O-N 2.94Å; E493-N496 WeakPolarHBondContact O-CA 3.41Å; E493-N496 WeakPolarHBondContact O-CB 3.33Å; E493-N496 PolarHBondContact O-N 2.79Å; E493-D497 PolarHBondContact O-N 3.29Å
494	D	97.7	Very high	97.1	Very high	18 Å²	18	32 Å²	32	10%	0.096	18%	0.181	C	C	.	.	H	α-helix	trans	-57.4	-42.9	174.5	-54.2	-37.1	0	0	0	111.8	R133 Y135 L490 T491 N496 D497 L498	R133-D494 WeakPolarHBondContact CD-OD1 3.36Å; R133-D494 IonicContact CZ-OD1 3.33Å; R133-D494 IonicContact NE-OD1 2.8Å; R133-D494 IonicContact NH1-OD1 3.51Å; R133-D494 PolarHBondContact NH1-OD1 3.33Å; Y135-D494 WeakPolarHBondContact OH-CB 3.5Å; L490-D494 HydrophobicContact CD1-CB 3.69Å; L490-D494 HydrophobicContact CG-CB 4.37Å; T491-D494 WeakPolarHBondContact CB-OD2 3.39Å; T491-D494 WeakPolarHBondContact CG2-OD2 3.48Å; T491-D494 PolarHBondContact N-OD2 3.27Å; T491-D494 PolarHBondContact O-N 2.96Å; T491-D494 PolarHBondContact OG1-N 3.47Å; T491-D494 VanDerWaalsContact OG1-N 3.17Å; T491-D494 PolarHBondContact OG1-OD1 3.43Å; T491-D494 PolarHBondContact OG1-OD2 2.6Å; D494-N496 VanDerWaalsContact C-N 3.3Å; D494-N496 PolarHBondContact O-N 3.39Å; D494-D497 PolarHBondContact O-N 3.36Å; D494-L498 WeakPolarHBondContact O-CG 3.31Å; D494-L498 PolarHBondContact O-N 2.86Å
495	F	97.3	Very high	96.9	Very high	18 Å²	18	36.2 Å²	36.2	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-40.2	175.3	-166.3	-82.6	0	0	0	111.8	R426 L427 L490 T491 E493 L498 M499 R506	R426-F495 HydrophobicContact CB-CE2 3.9Å; R426-F495 HydrophobicContact CB-CZ 3.68Å; L427-F495 HydrophobicContact CB-CE2 4.19Å; L427-F495 HydrophobicContact CB-CZ 4.47Å; L490-F495 HydrophobicContact CD2-CD2 3.95Å; T491-F495 PolarHBondContact O-N 3.15Å; E493-F495 VanDerWaalsContact C-N 3.27Å; E493-F495 PolarHBondContact O-N 2.94Å; F495-L498 PolarHBondContact O-N 3.08Å; F495-M499 HydrophobicContact CD1-CE 4.28Å; F495-M499 HydrophobicContact CD1-CG 3.99Å; F495-M499 HydrophobicContact CD1-SD 4.43Å; F495-M499 HydrophobicContact CE1-CE 3.65Å; F495-M499 HydrophobicContact CE1-CG 3.84Å; F495-M499 HydrophobicContact CE1-SD 3.71Å; F495-M499 HydrophobicContact CZ-CE 3.8Å; F495-M499 HydrophobicContact CZ-SD 4.3Å; F495-M499 WeakPolarHBondContact O-CG 3.44Å; F495-M499 PolarHBondContact O-N 3.1Å; F495-R506 HydrophobicContact CE1-CG 4.22Å
496	N	97	Very high	96.5	Very high	75 Å²	75	43 Å²	43	40%	0.401	23%	0.232	S	C	.	.	H	α-helix	trans	-68	-37.6	176.8	-74.8	-23.8	0	0	0	112.7	S492 E493 D494 L498 M499 Y500 R506	S492-N496 PolarHBondContact O-N 3.29Å; S492-N496 PolarHBondContact O-ND2 2.76Å; E493-N496 WeakPolarHBondContact O-CA 3.41Å; E493-N496 WeakPolarHBondContact O-CB 3.33Å; E493-N496 PolarHBondContact O-N 2.79Å; D494-N496 VanDerWaalsContact C-N 3.3Å; D494-N496 PolarHBondContact O-N 3.39Å; N496-L498 VanDerWaalsContact C-N 3.33Å; N496-M499 WeakPolarHBondContact O-CB 3.23Å; N496-M499 PolarHBondContact O-N 2.92Å; N496-Y500 PolarHBondContact O-N 3.17Å; N496-R506 VanDerWaalsContact CG-NH2 3.3Å; N496-R506 PolarHBondContact ND2-NH2 2.76Å; N496-R506 PolarHBondContact OD1-NE 2.8Å; N496-R506 PolarHBondContact OD1-NH2 2.93Å
497	D	97.9	Very high	96.2	Very high	18 Å²	18	45.3 Å²	45.3	10%	0.096	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-40.1	174.2	-76.4	-23.6	0	0	0	111.3	R133 K469 E493 D494 M499 Y500 I501	R133-D497 IonicContact CZ-OD2 3.54Å; R133-D497 VanDerWaalsContact CZ-OD2 3.25Å; R133-D497 IonicContact NH1-OD2 3.65Å; R133-D497 PolarHBondContact NH1-OD2 2.86Å; R133-D497 IonicContact NH2-OD2 2.68Å; R133-D497 PolarHBondContact NH2-OD2 3.05Å; K469-D497 HydrophobicContact CB-CB 4.38Å; K469-D497 HydrophobicContact CD-CB 4.31Å; K469-D497 WeakPolarHBondContact CD-OD1 3.24Å; K469-D497 WeakPolarHBondContact CE-OD1 3.35Å; K469-D497 HydrophobicContact CG-CB 4.24Å; K469-D497 IonicContact NZ-OD1 2.73Å; K469-D497 PolarHBondContact NZ-OD1 3.18Å; E493-D497 PolarHBondContact O-N 3.29Å; D494-D497 PolarHBondContact O-N 3.36Å; D497-M499 PolarHBondContact O-N 2.99Å; D497-Y500 WeakPolarHBondContact O-CB 3.3Å; D497-Y500 PolarHBondContact O-N 3.04Å; D497-I501 WeakPolarHBondContact O-CD1 3.2Å; D497-I501 WeakPolarHBondContact O-CG1 3.34Å; D497-I501 PolarHBondContact O-N 2.97Å
498	L	97.6	Very high	95.6	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-44.1	170.6	-68.7	174.5	0	0	0	111.5	Y135 L427 V471 L473 L484 I486 L490 D494 F495 N496 Y500 I501 F502	Y135-L498 HydrophobicContact CD2-CD1 4.4Å; Y135-L498 HydrophobicContact CD2-CD2 3.89Å; Y135-L498 HydrophobicContact CE2-CD1 4.08Å; Y135-L498 HydrophobicContact CE2-CD2 3.94Å; Y135-L498 HydrophobicContact CE2-CG 4.21Å; L427-L498 HydrophobicContact CD1-CB 4.47Å; L427-L498 HydrophobicContact CD2-CD1 4.46Å; V471-L498 HydrophobicContact CG1-CD2 4.34Å; L473-L498 HydrophobicContact CD2-CD2 4.44Å; L484-L498 HydrophobicContact CD2-CD2 4.01Å; I486-L498 HydrophobicContact CD1-CD1 3.95Å; L490-L498 HydrophobicContact CD1-CD1 3.93Å; D494-L498 WeakPolarHBondContact O-CG 3.31Å; D494-L498 PolarHBondContact O-N 2.86Å; F495-L498 PolarHBondContact O-N 3.08Å; N496-L498 VanDerWaalsContact C-N 3.33Å; L498-Y500 VanDerWaalsContact C-N 3.3Å; L498-Y500 PolarHBondContact O-N 2.71Å; L498-I501 HydrophobicContact CD2-CD1 4.33Å; L498-I501 PolarHBondContact O-N 3.02Å; L498-F502 VanDerWaalsContact O-CD2 3.32Å; L498-F502 WeakPolarHBondContact O-CD2 3.43Å; L498-F502 PolarHBondContact O-N 2.75Å; L498-F502 VanDerWaalsContact O-N 3.11Å
499	M	96.2	Very high	94.8	Very high	10 Å²	10	55 Å²	55	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-56.8	-45.5	173.9	-65.4	-57.7	92.2	0	0	111.6	L427 A430 F495 N496 D497 F502 G503 A504 R506	L427-M499 HydrophobicContact CD1-CE 3.3Å; A430-M499 HydrophobicContact CB-CE 3.87Å; A430-M499 HydrophobicContact CB-SD 3.4Å; A430-M499 WeakPolarHBondContact CB-SD 3.46Å; F495-M499 HydrophobicContact CD1-CE 4.28Å; F495-M499 HydrophobicContact CD1-CG 3.99Å; F495-M499 HydrophobicContact CD1-SD 4.43Å; F495-M499 HydrophobicContact CE1-CE 3.65Å; F495-M499 HydrophobicContact CE1-CG 3.84Å; F495-M499 HydrophobicContact CE1-SD 3.71Å; F495-M499 HydrophobicContact CZ-CE 3.8Å; F495-M499 HydrophobicContact CZ-SD 4.3Å; F495-M499 WeakPolarHBondContact O-CG 3.44Å; F495-M499 PolarHBondContact O-N 3.1Å; N496-M499 WeakPolarHBondContact O-CB 3.23Å; N496-M499 PolarHBondContact O-N 2.92Å; D497-M499 PolarHBondContact O-N 2.99Å; M499-F502 PolarHBondContact O-N 3.5Å; M499-G503 CarbonylContact O-C 3.59Å; M499-G503 WeakPolarHBondContact O-CA 3.25Å; M499-G503 PolarHBondContact O-N 3.48Å; M499-A504 PolarHBondContact O-N 2.71Å; M499-A504 HydrophobicContact SD-CB 4.02Å; M499-R506 HydrophobicContact CG-CG 4.36Å
500	Y	96.3	Very high	93.9	Very high	109 Å²	109	59.5 Å²	59.5	43%	0.427	31%	0.308	S	S	.	.	H	α-helix	trans	-60.9	-47.3	177.5	173	-97.6	0	0	0	112.6	K465 E468 K469 N496 D497 L498 F502 G503	K465-Y500 HydrophobicContact CB-CD1 4.43Å; K465-Y500 HydrophobicContact CB-CE1 4.06Å; K465-Y500 HydrophobicContact CD-CE1 4.41Å; K465-Y500 HydrophobicContact CG-CE1 4.03Å; K465-Y500 PolarHBondContact NZ-O 3.41Å; E468-Y500 PolarHBondContact OE2-OH 2.93Å; K469-Y500 HydrophobicContact CD-CD1 4.29Å; K469-Y500 VanDerWaalsContact CE-CD1 3.47Å; K469-Y500 HydrophobicContact CG-CD1 3.88Å; K469-Y500 HydrophobicContact CG-CE1 4.28Å; N496-Y500 PolarHBondContact O-N 3.17Å; D497-Y500 WeakPolarHBondContact O-CB 3.3Å; D497-Y500 PolarHBondContact O-N 3.04Å; L498-Y500 VanDerWaalsContact C-N 3.3Å; L498-Y500 PolarHBondContact O-N 2.71Å; Y500-F502 VanDerWaalsContact C-N 3.27Å; Y500-F502 PolarHBondContact O-N 2.85Å; Y500-G503 PolarHBondContact O-N 3.5Å
501	I	96.4	Very high	92.6	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-54.9	-46.3	179.7	-71.2	163.2	0	0	0	110.4	I462 K465 A466 K469 V471 L473 D497 L498	I462-I501 HydrophobicContact CG2-CG2 3.9Å; K465-I501 HydrophobicContact CB-CB 4.37Å; K465-I501 HydrophobicContact CB-CG1 4.2Å; K465-I501 HydrophobicContact CB-CG2 4.44Å; K465-I501 WeakPolarHBondContact CD-O 3.41Å; A466-I501 HydrophobicContact CB-CD1 4.19Å; A466-I501 HydrophobicContact CB-CG1 4.44Å; A466-I501 HydrophobicContact CB-CG2 4.13Å; K469-I501 HydrophobicContact CB-CD1 4.09Å; K469-I501 HydrophobicContact CB-CG1 4.34Å; K469-I501 HydrophobicContact CG-CD1 4.43Å; K469-I501 HydrophobicContact CG-CG1 4.19Å; V471-I501 HydrophobicContact CB-CD1 3.87Å; V471-I501 HydrophobicContact CG1-CD1 4.15Å; V471-I501 HydrophobicContact CG2-CD1 3.88Å; L473-I501 HydrophobicContact CD1-CG2 4.35Å; D497-I501 WeakPolarHBondContact O-CD1 3.2Å; D497-I501 WeakPolarHBondContact O-CG1 3.34Å; D497-I501 PolarHBondContact O-N 2.97Å; L498-I501 HydrophobicContact CD2-CD1 4.33Å; L498-I501 PolarHBondContact O-N 3.02Å
502	F	95.6	Very high	91.6	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-86.2	-5.7	179.8	-71.3	-91.2	0	0	0	113.4	L431 Y436 V450 I462 L473 V482 L484 L498 M499 Y500 A504	L431-F502 HydrophobicContact CD2-CB 3.26Å; L431-F502 HydrophobicContact CD2-CD1 3.53Å; L431-F502 HydrophobicContact CD2-CD2 4Å; L431-F502 HydrophobicContact CD2-CE1 4.39Å; L431-F502 HydrophobicContact CD2-CG 3.3Å; Y436-F502 HydrophobicContact CD2-CD1 4.45Å; Y436-F502 HydrophobicContact CE1-CD1 4.06Å; Y436-F502 HydrophobicContact CE2-CB 3.81Å; Y436-F502 HydrophobicContact CE2-CD1 4.01Å; Y436-F502 HydrophobicContact CE2-CG 4.43Å; Y436-F502 WeakPolarHBondContact CE2-O 3.43Å; Y436-F502 AromaticContact CZ-CD1 3.77Å; Y436-F502 VanDerWaalsContact CZ-O 3.31Å; Y436-F502 PolarHBondContact OH-O 2.82Å; V450-F502 HydrophobicContact CG1-CE1 4.25Å; I462-F502 HydrophobicContact CD1-CD1 4.14Å; I462-F502 HydrophobicContact CD1-CE1 3.91Å; I462-F502 HydrophobicContact CG1-CD1 4.43Å; I462-F502 HydrophobicContact CG1-CE1 4.41Å; I462-F502 HydrophobicContact CG2-CE1 4.25Å; I462-F502 HydrophobicContact CG2-CZ 4.11Å; L473-F502 HydrophobicContact CD1-CE2 4.05Å; L473-F502 HydrophobicContact CD1-CZ 3.92Å; V482-F502 HydrophobicContact CG1-CE1 3.75Å; V482-F502 HydrophobicContact CG1-CZ 3.96Å; L484-F502 HydrophobicContact CD1-CE1 4.39Å; L484-F502 HydrophobicContact CD1-CE2 4.36Å; L484-F502 HydrophobicContact CD1-CZ 3.72Å; L484-F502 HydrophobicContact CD2-CE2 3.52Å; L484-F502 HydrophobicContact CD2-CZ 3.71Å; L484-F502 HydrophobicContact CG-CZ 4.22Å; L498-F502 VanDerWaalsContact O-CD2 3.32Å; L498-F502 WeakPolarHBondContact O-CD2 3.43Å; L498-F502 PolarHBondContact O-N 2.75Å; L498-F502 VanDerWaalsContact O-N 3.11Å; M499-F502 PolarHBondContact O-N 3.5Å; Y500-F502 VanDerWaalsContact C-N 3.27Å; Y500-F502 PolarHBondContact O-N 2.85Å; F502-A504 HydrophobicContact CB-CB 4.36Å; F502-A504 PolarHBondContact O-N 3.41Å
503	G	93.6	Very high	91.3	Very high	42 Å²	42	64.8 Å²	64.8	43%	0.433	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	29.9	-173	0	0	0	0	0	112.5	M499 Y500	M499-G503 CarbonylContact O-C 3.59Å; M499-G503 WeakPolarHBondContact O-CA 3.25Å; M499-G503 PolarHBondContact O-N 3.48Å; Y500-G503 PolarHBondContact O-N 3.5Å
504	A	93.8	Very high	91.1	Very high	11 Å²	11	62.2 Å²	62.2	9%	0.091	31%	0.308	C	S	.	.			trans	-95.7	161.2	-179.8	0	0	0	0	0	111.6	A430 L431 A434 M499 F502	A430-A504 HydrophobicContact CB-CB 4.16Å; L431-A504 HydrophobicContact CD2-CB 4.31Å; A434-A504 HydrophobicContact CB-CB 3.76Å; M499-A504 PolarHBondContact O-N 2.71Å; M499-A504 HydrophobicContact SD-CB 4.02Å; F502-A504 HydrophobicContact CB-CB 4.36Å; F502-A504 PolarHBondContact O-N 3.41Å
505	T	92.3	Very high	91	Very high	89 Å²	89	61.6 Å²	61.6	55%	0.546	31%	0.305	S	S	.	.			trans	-120.6	150.4	172.7	54.6	0	0	0	0	109.7	A430 V507	A430-T505 VanDerWaalsContact CB-O 3.3Å; A430-T505 WeakPolarHBondContact CB-O 3.3Å; T505-V507 PolarHBondContact O-N 2.92Å
506	R	91.8	Very high	90.9	Very high	145 Å²	145	60.8 Å²	60.8	55%	0.547	30%	0.301	S	S	.	.			trans	-63.6	129.5	178.2	-64.8	179.1	177.4	-159.2	-5.9	109.5	S492 F495 N496 M499	S492-R506 PolarHBondContact O-NH2 2.72Å; F495-R506 HydrophobicContact CE1-CG 4.22Å; N496-R506 VanDerWaalsContact CG-NH2 3.3Å; N496-R506 PolarHBondContact ND2-NH2 2.76Å; N496-R506 PolarHBondContact OD1-NE 2.8Å; N496-R506 PolarHBondContact OD1-NH2 2.93Å; M499-R506 HydrophobicContact CG-CG 4.36Å
507	V	91	Very high	90.8	Very high	50 Å²	50	57.5 Å²	57.5	30%	0.303	28%	0.284	S	S	.	.			trans	-130.2	158.3	172.1	-64.5	0	0	0	0	110.3	S429 N433 T505	S429-V507 VanDerWaalsContact C-CG2 3.41Å; S429-V507 VanDerWaalsContact O-CG2 3.28Å; S429-V507 WeakPolarHBondContact O-CG2 3.14Å; N433-V507 HydrophobicContact CB-CG1 4Å; N433-V507 HydrophobicContact CB-CG2 4.15Å; T505-V507 PolarHBondContact O-N 2.92Å
508	K	86.2	Confident	90.6	Very high	177 Å²	177	60.3 Å²	60.3	77%	0.77	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-66	125.4	173.6	-172.1	179	178.7	-175.5	0	108.6
509	P	82.1	Confident	90.3	Very high	43 Å²	43	66.4 Å²	66.4	28%	0.279	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-68.1	146.5	179.4	27.6	-33.8	0	0	0	111.6	R426 S429 E511	R426-P509 HydrophobicContact CG-CG 4.05Å; S429-P509 WeakPolarHBondContact OG-CA 3.41Å; S429-P509 WeakPolarHBondContact OG-CB 3.46Å; P509-E511 PolarHBondContact O-N 3.17Å
510	K	79.6	Confident	90.1	Very high	145 Å²	145	68.9 Å²	68.9	63%	0.63	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-74.6	116.7	172.3	-66.3	176.8	-177.3	169.2	0	108.9	H512 S513	K510-H512 PolarHBondContact O-N 3.13Å; K510-H512 VanDerWaalsContact O-N 3.14Å; K510-S513 PolarHBondContact O-N 3.45Å
511	E	71.1	Confident	89.8	Confident	131 Å²	131	68.5 Å²	68.5	61%	0.612	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.8	-175	-72.1	179.6	-177.4	0	0	114.3	P509 N518	P509-E511 PolarHBondContact O-N 3.17Å; E511-N518 PolarHBondContact O-ND2 2.91Å; E511-N518 PolarHBondContact O-OD1 2.9Å
512	H	77.6	Confident	89.6	Confident	127 Å²	127	72.5 Å²	72.5	59%	0.588	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	37.3	-179.5	-60.2	-60.7	0	0	0	112.4	K510	K510-H512 PolarHBondContact O-N 3.13Å; K510-H512 VanDerWaalsContact O-N 3.14Å
513	S	88.6	Confident	89.5	Confident	13 Å²	13	72.5 Å²	72.5	9%	0.091	36%	0.361	C	S	.	.			trans	-61.8	155.2	169.9	101.7	0	0	0	0	110.2	K510 F515 A516	K510-S513 PolarHBondContact O-N 3.45Å; S513-F515 PolarHBondContact O-N 2.93Å; S513-F515 WeakPolarHBondContact OG-CB 3.25Å; S513-F515 WeakPolarHBondContact OG-CD2 3.48Å; S513-F515 PolarHBondContact OG-N 3.37Å; S513-F515 VanDerWaalsContact OG-N 3.09Å; S513-A516 PolarHBondContact O-N 3.1Å; S513-A516 VanDerWaalsContact O-N 3.11Å
514	I	93.4	Very high	89.6	Confident	84 Å²	84	74.6 Å²	74.6	43%	0.431	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.5	175.3	64.3	170.4	0	0	0	112.9	T442 A443 Y520	T442-I514 CarbonylContact C-O 3.52Å; T442-I514 VanDerWaalsContact C-O 3.26Å; A443-I514 PolarHBondContact N-O 3.24Å; I514-Y520 VanDerWaalsContact O-CE2 3.29Å; I514-Y520 WeakPolarHBondContact O-CE2 3.24Å; I514-Y520 PolarHBondContact O-OH 2.81Å
515	F	95.5	Very high	89.7	Confident	6 Å²	6	75.6 Å²	75.6	3%	0.026	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-13.3	-178.8	-51.1	-67.2	0	0	0	112.7	L425 V428 I438 N440 A443 V444 S513	L425-F515 HydrophobicContact CD2-CB 3.99Å; V428-F515 HydrophobicContact CG1-CD2 3.49Å; V428-F515 VanDerWaalsContact CG1-CD2 3.49Å; V428-F515 HydrophobicContact CG1-CE2 3.92Å; V428-F515 HydrophobicContact CG1-CG 4.22Å; I438-F515 HydrophobicContact CB-CE1 4.06Å; I438-F515 HydrophobicContact CB-CE2 4.14Å; I438-F515 HydrophobicContact CB-CZ 3.61Å; I438-F515 HydrophobicContact CG1-CE2 4.47Å; I438-F515 HydrophobicContact CG1-CZ 4.41Å; I438-F515 HydrophobicContact CG2-CD1 4.17Å; I438-F515 HydrophobicContact CG2-CE1 3.59Å; I438-F515 HydrophobicContact CG2-CE2 4.34Å; I438-F515 HydrophobicContact CG2-CZ 3.68Å; N440-F515 HydrophobicContact CB-CD1 4.11Å; N440-F515 HydrophobicContact CB-CE1 3.91Å; N440-F515 WeakPolarHBondContact O-CE1 3.19Å; A443-F515 WeakPolarHBondContact CA-O 3.24Å; V444-F515 HydrophobicContact CG1-CD1 4.44Å; V444-F515 HydrophobicContact CG2-CB 4.13Å; V444-F515 PolarHBondContact N-O 3.09Å; S513-F515 PolarHBondContact O-N 2.93Å; S513-F515 WeakPolarHBondContact OG-CB 3.25Å; S513-F515 WeakPolarHBondContact OG-CD2 3.48Å; S513-F515 PolarHBondContact OG-N 3.37Å; S513-F515 VanDerWaalsContact OG-N 3.09Å
516	A	95.6	Very high	89.7	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	36%	0.364	C	S	.	.			trans	-82.1	130.8	-175.9	0	0	0	0	0	111.3	L425 S513 N518 R519	L425-A516 HydrophobicContact CD1-CB 3.72Å; L425-A516 HydrophobicContact CD2-CB 4.11Å; S513-A516 PolarHBondContact O-N 3.1Å; S513-A516 VanDerWaalsContact O-N 3.11Å; A516-N518 VanDerWaalsContact C-N 3.26Å; A516-N518 WeakPolarHBondContact CB-OD1 3.47Å; A516-N518 PolarHBondContact O-N 2.85Å; A516-R519 WeakPolarHBondContact O-CB 3.26Å; A516-R519 PolarHBondContact O-N 3.38Å
517	I	95.5	Very high	89.7	Confident	7 Å²	7	76.5 Å²	76.5	4%	0.036	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-60.1	-39.2	-178.7	-70.5	165	0	0	0	111	I280 L310 I311 H421 A443 F445 R519 Y520 L523 M524	I280-I517 HydrophobicContact CD1-CG1 4.3Å; L310-I517 HydrophobicContact CB-CD1 4.19Å; L310-I517 HydrophobicContact CD1-CD1 4.14Å; I311-I517 HydrophobicContact CG2-CD1 3.75Å; I311-I517 HydrophobicContact CG2-CG1 4.09Å; I311-I517 HydrophobicContact CG2-CG2 3.93Å; H421-I517 PolarHBondContact NE2-N 2.82Å; A443-I517 HydrophobicContact CB-CG1 4.34Å; F445-I517 HydrophobicContact CD2-CD1 4.49Å; I517-R519 PolarHBondContact O-N 3.49Å; I517-R519 VanDerWaalsContact O-N 3.1Å; I517-Y520 PolarHBondContact O-N 3Å; I517-Y520 VanDerWaalsContact O-N 3.09Å; I517-L523 HydrophobicContact CG1-CD2 4.34Å; I517-L523 HydrophobicContact CG2-CD2 4.16Å; I517-L523 HydrophobicContact CG2-CG 4.26Å; I517-M524 HydrophobicContact CG2-CG 4.03Å
518	N	92.2	Very high	89.9	Confident	76 Å²	76	78.8 Å²	78.8	41%	0.406	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-66.4	-8.3	178.6	68.8	-22.7	0	0	0	114.3	E511 A516 Y520 M524	E511-N518 PolarHBondContact O-ND2 2.91Å; E511-N518 PolarHBondContact O-OD1 2.9Å; A516-N518 VanDerWaalsContact C-N 3.26Å; A516-N518 WeakPolarHBondContact CB-OD1 3.47Å; A516-N518 PolarHBondContact O-N 2.85Å; N518-Y520 VanDerWaalsContact C-N 3.25Å; N518-M524 HydrophobicContact CB-SD 4.17Å
519	R	91.4	Very high	90.5	Very high	129 Å²	129	71.1 Å²	71.1	49%	0.487	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-70.1	-25.2	171.6	-179.9	61.4	-174.4	86.2	-1.8	112.1	A516 I517	A516-R519 WeakPolarHBondContact O-CB 3.26Å; A516-R519 PolarHBondContact O-N 3.38Å; I517-R519 PolarHBondContact O-N 3.49Å; I517-R519 VanDerWaalsContact O-N 3.1Å
520	Y	92.6	Very high	91.2	Very high	62 Å²	62	69.1 Å²	69.1	24%	0.243	34%	0.336	C	S	.	.			trans	-118	95.8	-173.6	-55.5	-88.7	0	0	0	109.7	A443 I514 I517 N518 N522 L523 M524	A443-Y520 HydrophobicContact CB-CD2 3.81Å; A443-Y520 HydrophobicContact CB-CE2 3.82Å; I514-Y520 VanDerWaalsContact O-CE2 3.29Å; I514-Y520 WeakPolarHBondContact O-CE2 3.24Å; I514-Y520 PolarHBondContact O-OH 2.81Å; I517-Y520 PolarHBondContact O-N 3Å; I517-Y520 VanDerWaalsContact O-N 3.09Å; N518-Y520 VanDerWaalsContact C-N 3.25Å; Y520-N522 PolarHBondContact O-N 2.95Å; Y520-L523 WeakPolarHBondContact O-CB 3.41Å; Y520-L523 PolarHBondContact O-N 3.03Å; Y520-M524 PolarHBondContact O-N 2.94Å
521	T	89.5	Confident	92.1	Very high	101 Å²	101	65.9 Å²	65.9	62%	0.62	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.5	-176.3	52.1	0	0	0	0	113.7	K526	T521-K526 WeakPolarHBondContact O-CE 3.31Å
522	N	91.9	Very high	93.3	Very high	84 Å²	84	61.3 Å²	61.3	45%	0.449	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.6	177.6	-69	-18.8	0	0	0	113.7	E312 Y520	E312-N522 VanDerWaalsContact CG-O 3.26Å; E312-N522 WeakPolarHBondContact CG-O 3.48Å; Y520-N522 PolarHBondContact O-N 2.95Å
523	L	95.1	Very high	94.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-32.9	175.1	175.5	60.1	0	0	0	111.9	Y273 I280 D282 I311 E312 A443 I517 Y520 R525	Y273-L523 HydrophobicContact CE2-CD1 4.37Å; Y273-L523 WeakPolarHBondContact OH-CD1 3.36Å; I280-L523 HydrophobicContact CB-CD2 4.27Å; I280-L523 HydrophobicContact CD1-CD2 4.26Å; I280-L523 HydrophobicContact CG2-CD1 3.32Å; I280-L523 HydrophobicContact CG2-CD2 3.76Å; I280-L523 HydrophobicContact CG2-CG 4.17Å; D282-L523 HydrophobicContact CB-CD1 3.83Å; I311-L523 CarbonylContact C-O 3.49Å; I311-L523 WeakPolarHBondContact CA-O 3.32Å; I311-L523 HydrophobicContact CB-CD1 3.77Å; I311-L523 HydrophobicContact CB-CG 4.21Å; I311-L523 HydrophobicContact CG2-CD1 3.92Å; I311-L523 HydrophobicContact CG2-CD2 4.3Å; I311-L523 HydrophobicContact CG2-CG 3.92Å; E312-L523 PolarHBondContact N-O 2.84Å; A443-L523 HydrophobicContact CB-CD2 3.59Å; I517-L523 HydrophobicContact CG1-CD2 4.34Å; I517-L523 HydrophobicContact CG2-CD2 4.16Å; I517-L523 HydrophobicContact CG2-CG 4.26Å; Y520-L523 WeakPolarHBondContact O-CB 3.41Å; Y520-L523 PolarHBondContact O-N 3.03Å; L523-R525 PolarHBondContact O-N 3.04Å
524	M	95.6	Very high	94.6	Very high	86 Å²	86	58.3 Å²	58.3	42%	0.424	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-62.5	129.5	-178.5	-73.9	-176.2	57.1	0	0	111.2	I517 N518 Y520 K526	I517-M524 HydrophobicContact CG2-CG 4.03Å; N518-M524 HydrophobicContact CB-SD 4.17Å; Y520-M524 PolarHBondContact O-N 2.94Å; M524-K526 PolarHBondContact O-N 2.76Å
525	R	96.3	Very high	94.9	Very high	33 Å²	33	54.3 Å²	54.3	13%	0.125	28%	0.277	C	S	.	.			trans	-57.8	119.6	177.5	-174.6	157.7	-177.3	145.7	10.2	111.7	D187 L188 L308 L310 I311 L523 H527 Y529	D187-R525 PolarHBondContact O-NH2 2.87Å; L188-R525 PolarHBondContact O-NH1 2.94Å; L308-R525 WeakPolarHBondContact O-CD 3.48Å; L308-R525 PolarHBondContact O-NH1 3.45Å; L310-R525 PolarHBondContact O-N 2.95Å; I311-R525 WeakPolarHBondContact O-CB 3.45Å; L523-R525 PolarHBondContact O-N 3.04Å; R525-H527 WeakPolarHBondContact CG-O 3.44Å; R525-H527 PolarHBondContact NE-O 2.76Å; R525-H527 VanDerWaalsContact NE-O 3.13Å; R525-Y529 VanDerWaalsContact CZ-CD1 3.44Å
526	K	92	Very high	95	Very high	135 Å²	135	57.6 Å²	57.6	59%	0.587	30%	0.295	S	S	*	.			trans	-95.9	-34.9	177	-65.3	166	-170	173.9	0	113.2	E312 T521 M524	E312-K526 WeakPolarHBondContact OE1-CB 3.35Å; E312-K526 WeakPolarHBondContact OE1-CG 3.15Å; E312-K526 PolarHBondContact OE1-N 2.92Å; T521-K526 WeakPolarHBondContact O-CE 3.31Å; M524-K526 PolarHBondContact O-N 2.76Å
527	H	92	Very high	95.1	Very high	118 Å²	118	60.1 Å²	60.1	55%	0.546	31%	0.313	S	S	.	.	S	Bend	trans	-81.5	135.5	-175.8	-61.5	-72.8	0	0	0	112.2	R525	R525-H527 WeakPolarHBondContact CG-O 3.44Å; R525-H527 PolarHBondContact NE-O 2.76Å; R525-H527 VanDerWaalsContact NE-O 3.13Å
528	S	95.2	Very high	95.2	Very high	97 Å²	97	62.1 Å²	62.1	68%	0.678	32%	0.322	S	S	*	.			trans	-64.3	159.4	172	52.1	0	0	0	0	111.4
529	Y	97.4	Very high	95.5	Very high	17 Å²	17	62.4 Å²	62.4	7%	0.067	32%	0.32	C	S	.	.			trans	-149.9	156.7	-180	50.9	-83.9	0	0	0	109.1	L188 T309 P410 R525 T531	L188-Y529 HydrophobicContact CD2-CD2 3.66Å; L188-Y529 HydrophobicContact CD2-CE2 4.11Å; L188-Y529 HydrophobicContact CD2-CG 4.08Å; T309-Y529 WeakPolarHBondContact CB-OH 3.12Å; T309-Y529 HydrophobicContact CG2-CE2 4.22Å; T309-Y529 PolarHBondContact O-OH 3.31Å; P410-Y529 HydrophobicContact CB-CD2 4.03Å; P410-Y529 HydrophobicContact CB-CE2 3.76Å; P410-Y529 WeakPolarHBondContact CB-O 3.4Å; P410-Y529 PolarHBondContact O-OH 3.29Å; R525-Y529 VanDerWaalsContact CZ-CD1 3.44Å; Y529-T531 PolarHBondContact O-N 3.15Å
530	L	97.8	Very high	95.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.			trans	55	41.5	179.8	-53.4	176.4	0	0	0	111.5	M184 D187 A405 P410 L413 H532 F535 N536	M184-L530 HydrophobicContact CB-CD2 3.8Å; M184-L530 HydrophobicContact CG-CD2 3.91Å; D187-L530 HydrophobicContact CB-CD2 4.43Å; D187-L530 VanDerWaalsContact OD2-CA 3.29Å; D187-L530 WeakPolarHBondContact OD2-CA 3.49Å; D187-L530 PolarHBondContact OD2-N 2.86Å; A405-L530 HydrophobicContact CB-CD1 4.41Å; P410-L530 HydrophobicContact CB-CB 4.26Å; P410-L530 HydrophobicContact CG-CB 4.35Å; L413-L530 HydrophobicContact CD1-CD1 3.53Å; L530-H532 VanDerWaalsContact C-N 3.33Å; L530-F535 HydrophobicContact CB-CB 3.77Å; L530-F535 HydrophobicContact CB-CD1 4.49Å; L530-F535 HydrophobicContact CB-CD2 3.88Å; L530-F535 HydrophobicContact CB-CG 3.81Å; L530-F535 HydrophobicContact CD2-CD1 3.96Å; L530-F535 HydrophobicContact CD2-CD2 3.82Å; L530-F535 HydrophobicContact CD2-CE1 3.91Å; L530-F535 HydrophobicContact CD2-CE2 3.76Å; L530-F535 HydrophobicContact CD2-CG 3.93Å; L530-F535 HydrophobicContact CD2-CZ 3.81Å; L530-F535 HydrophobicContact CG-CD2 4.43Å; L530-F535 HydrophobicContact CG-CG 4.32Å; L530-N536 PolarHBondContact O-ND2 2.92Å
531	T	97	Very high	96.1	Very high	77 Å²	77	61 Å²	61	47%	0.472	33%	0.327	S	S	.	.			trans	-79.8	-18.6	-178.2	55.8	0	0	0	0	112.5	Y529	Y529-T531 PolarHBondContact O-N 3.15Å
532	H	96.5	Very high	96.5	Very high	36 Å²	36	59.9 Å²	59.9	17%	0.167	32%	0.32	C	S	.	.	S	Bend	trans	-59.6	140.9	177.2	-172.4	-100.3	0	0	0	111.1	L530 V534 F535 N536 C1028	L530-H532 VanDerWaalsContact C-N 3.33Å; H532-V534 HydrophobicContact CB-CG1 4.39Å; H532-V534 WeakPolarHBondContact ND1-CB 3.45Å; H532-V534 WeakPolarHBondContact ND1-CG1 3.4Å; H532-V534 PolarHBondContact ND1-N 3Å; H532-V534 PolarHBondContact O-N 3.41Å; H532-F535 HydrophobicContact CB-CD2 4.14Å; H532-F535 HydrophobicContact CB-CE2 4.4Å; H532-F535 PolarHBondContact O-N 3.38Å; H532-N536 PolarHBondContact O-ND2 2.93Å; H532-C1028 HydrophobicContact CB-CB 3.99Å; H532-C1028 WeakPolarHBondContact CD2-CB 3.4Å
533	P	97.2	Very high	96.8	Very high	66 Å²	66	59.8 Å²	59.8	43%	0.429	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-53.6	-29.5	-177	-30.8	36.7	0	0	0	115.2	F535 N536 S537	P533-F535 PolarHBondContact O-N 3.23Å; P533-N536 CarbonylContact O-C 3.47Å; P533-N536 PolarHBondContact O-N 2.94Å; P533-S537 WeakPolarHBondContact O-CB 3.43Å; P533-S537 PolarHBondContact O-N 2.95Å; P533-S537 VanDerWaalsContact O-N 3.09Å; P533-S537 PolarHBondContact O-OG 3.17Å
534	V	97.6	Very high	97	Very high	10 Å²	10	59.8 Å²	59.8	6%	0.061	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-56.2	-34.1	177.7	76.2	0	0	0	0	112.8	V406 H532 N536 F538 Y547	V406-V534 WeakPolarHBondContact CG1-O 3.24Å; V406-V534 HydrophobicContact CG2-CG2 4.21Å; H532-V534 HydrophobicContact CB-CG1 4.39Å; H532-V534 WeakPolarHBondContact ND1-CB 3.45Å; H532-V534 WeakPolarHBondContact ND1-CG1 3.4Å; H532-V534 PolarHBondContact ND1-N 3Å; H532-V534 PolarHBondContact O-N 3.41Å; V534-N536 VanDerWaalsContact C-N 3.32Å; V534-F538 HydrophobicContact CG2-CE2 4.16Å; V534-F538 WeakPolarHBondContact O-CD2 3.44Å; V534-Y547 HydrophobicContact CG2-CE1 4.1Å; V534-Y547 WeakPolarHBondContact CG2-OH 3.46Å
535	F	98.5	Very high	97.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-89.4	2.9	179	-56	-71.8	0	0	0	113.6	N180 T183 M184 A405 V406 G409 L530 H532 P533 H539	N180-F535 HydrophobicContact CB-CZ 4.3Å; N180-F535 WeakPolarHBondContact O-CZ 3.15Å; T183-F535 HydrophobicContact CG2-CE2 3.97Å; T183-F535 HydrophobicContact CG2-CZ 4.5Å; M184-F535 HydrophobicContact CB-CE1 4.15Å; M184-F535 HydrophobicContact CB-CZ 4.01Å; A405-F535 HydrophobicContact CB-CD1 4.34Å; A405-F535 HydrophobicContact CB-CE1 4.3Å; V406-F535 HydrophobicContact CB-CD1 4.49Å; V406-F535 HydrophobicContact CG2-CD1 3.7Å; V406-F535 HydrophobicContact CG2-CE1 3.87Å; G409-F535 WeakPolarHBondContact CA-O 3.41Å; L530-F535 HydrophobicContact CB-CB 3.77Å; L530-F535 HydrophobicContact CB-CD1 4.49Å; L530-F535 HydrophobicContact CB-CD2 3.88Å; L530-F535 HydrophobicContact CB-CG 3.81Å; L530-F535 HydrophobicContact CD2-CD1 3.96Å; L530-F535 HydrophobicContact CD2-CD2 3.82Å; L530-F535 HydrophobicContact CD2-CE1 3.91Å; L530-F535 HydrophobicContact CD2-CE2 3.76Å; L530-F535 HydrophobicContact CD2-CG 3.93Å; L530-F535 HydrophobicContact CD2-CZ 3.81Å; L530-F535 HydrophobicContact CG-CD2 4.43Å; L530-F535 HydrophobicContact CG-CG 4.32Å; H532-F535 HydrophobicContact CB-CD2 4.14Å; H532-F535 HydrophobicContact CB-CE2 4.4Å; H532-F535 PolarHBondContact O-N 3.38Å; P533-F535 PolarHBondContact O-N 3.23Å; F535-H539 PolarHBondContact O-CE1 3.33Å
536	N	98.2	Very high	97.3	Very high	75 Å²	75	65.9 Å²	65.9	40%	0.401	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	3.2	-174.7	-63.9	-82	0	0	0	113.1	L530 H532 P533 V534 H539	L530-N536 PolarHBondContact O-ND2 2.92Å; H532-N536 PolarHBondContact O-ND2 2.93Å; P533-N536 CarbonylContact O-C 3.47Å; P533-N536 PolarHBondContact O-N 2.94Å; V534-N536 VanDerWaalsContact C-N 3.32Å; N536-H539 VanDerWaalsContact CA-NE2 3.35Å; N536-H539 WeakPolarHBondContact CA-NE2 3.26Å
537	S	97.2	Very high	97.6	Very high	54 Å²	54	59.7 Å²	59.7	38%	0.378	31%	0.313	S	S	.	.	S	Bend	trans	-115.9	-14.7	-171.2	-56.5	0	0	0	0	115.3	P533	P533-S537 WeakPolarHBondContact O-CB 3.43Å; P533-S537 PolarHBondContact O-N 2.95Å; P533-S537 VanDerWaalsContact O-N 3.09Å; P533-S537 PolarHBondContact O-OG 3.17Å
538	F	98.1	Very high	97.9	Very high	49 Å²	49	54.1 Å²	54.1	22%	0.215	29%	0.287	C	S	.	.			trans	-125.4	48.8	-168.8	-53.1	-72.9	0	0	0	112.8	V406 V534 E543 L544 Y547	V406-F538 HydrophobicContact CG1-CB 3.8Å; V406-F538 HydrophobicContact CG1-CD2 3.84Å; V406-F538 HydrophobicContact CG1-CG 4.27Å; V534-F538 HydrophobicContact CG2-CE2 4.16Å; V534-F538 WeakPolarHBondContact O-CD2 3.44Å; F538-E543 HydrophobicContact CB-CB 4.38Å; F538-E543 HydrophobicContact CD1-CB 4.1Å; F538-L544 HydrophobicContact CB-CD1 4.32Å; F538-Y547 HydrophobicContact CD1-CG 4.14Å; F538-Y547 AromaticContact CD2-CD1 3.98Å; F538-Y547 HydrophobicContact CD2-CD1 3.98Å; F538-Y547 HydrophobicContact CD2-CD2 4.4Å; F538-Y547 HydrophobicContact CD2-CE1 4.41Å; F538-Y547 AromaticContact CD2-CG 3.98Å; F538-Y547 HydrophobicContact CD2-CG 3.98Å; F538-Y547 HydrophobicContact CE1-CD2 4.07Å; F538-Y547 HydrophobicContact CE1-CG 4.05Å; F538-Y547 HydrophobicContact CE2-CD1 4.15Å; F538-Y547 AromaticContact CE2-CD2 3.83Å; F538-Y547 HydrophobicContact CE2-CD2 3.83Å; F538-Y547 HydrophobicContact CE2-CE1 4.37Å; F538-Y547 HydrophobicContact CE2-CE2 4.08Å; F538-Y547 AromaticContact CE2-CG 3.88Å; F538-Y547 HydrophobicContact CE2-CG 3.88Å; F538-Y547 HydrophobicContact CG-CD1 4.32Å; F538-Y547 HydrophobicContact CG-CG 4.12Å; F538-Y547 AromaticContact CZ-CD2 3.65Å; F538-Y547 HydrophobicContact CZ-CD2 3.65Å; F538-Y547 HydrophobicContact CZ-CE2 4.18Å; F538-Y547 AromaticContact CZ-CG 3.93Å; F538-Y547 HydrophobicContact CZ-CG 3.93Å
539	H	98.2	Very high	98.1	Very high	81 Å²	81	53.7 Å²	53.7	38%	0.375	27%	0.273	S	S	.	.			trans	-89.3	-24	-175	-61.2	-43	0	0	0	114.4	V406 Y407 F535 N536	V406-H539 PolarHBondContact O-ND1 2.65Å; Y407-H539 WeakPolarHBondContact CE2-O 3.45Å; Y407-H539 PolarHBondContact O-ND1 2.84Å; F535-H539 PolarHBondContact O-CE1 3.33Å; N536-H539 VanDerWaalsContact CA-NE2 3.35Å; N536-H539 WeakPolarHBondContact CA-NE2 3.26Å
540	S	98.3	Very high	98.1	Very high	49 Å²	49	59 Å²	59	34%	0.343	30%	0.297	S	S	.	.	S	Bend	trans	-77.2	148.4	169.1	72.4	0	0	0	0	110.2	T542 E543 L544	S540-T542 PolarHBondContact O-N 2.83Å; S540-E543 WeakPolarHBondContact CB-OE2 3.39Å; S540-E543 PolarHBondContact N-OE2 3.27Å; S540-E543 PolarHBondContact O-N 3.39Å; S540-E543 WeakPolarHBondContact OG-CB 3.25Å; S540-E543 WeakPolarHBondContact OG-CG 3.27Å; S540-E543 PolarHBondContact OG-N 3.46Å; S540-E543 PolarHBondContact OG-OE2 3.13Å; S540-L544 PolarHBondContact O-N 3.13Å
541	E	98.6	Very high	98.2	Very high	114 Å²	114	59 Å²	59	53%	0.533	30%	0.297	S	S	.	.	H	α-helix	trans	-58.4	-37.1	177	-175.2	171.8	158.1	0	0	111.7	T148 L545	T148-E541 HydrophobicContact CG2-CG 4.23Å; E541-L545 WeakPolarHBondContact O-CB 3.04Å; E541-L545 PolarHBondContact O-N 3.41Å
542	T	98.6	Very high	98.2	Very high	76 Å²	76	56.3 Å²	56.3	47%	0.466	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-43.4	176.5	-59.8	0	0	0	0	112.6	S540 R546	S540-T542 PolarHBondContact O-N 2.83Å; T542-R546 VanDerWaalsContact O-CG 3.29Å; T542-R546 WeakPolarHBondContact O-CG 3.19Å; T542-R546 PolarHBondContact O-N 2.79Å; T542-R546 VanDerWaalsContact O-N 3.08Å
543	E	98.4	Very high	98.3	Very high	83 Å²	83	59.3 Å²	59.3	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-69.4	-44.2	179.1	-74.5	163.6	149.7	0	0	111.4	F538 S540 R546 Y547	F538-E543 HydrophobicContact CB-CB 4.38Å; F538-E543 HydrophobicContact CD1-CB 4.1Å; S540-E543 WeakPolarHBondContact CB-OE2 3.39Å; S540-E543 PolarHBondContact N-OE2 3.27Å; S540-E543 PolarHBondContact O-N 3.39Å; S540-E543 WeakPolarHBondContact OG-CB 3.25Å; S540-E543 WeakPolarHBondContact OG-CG 3.27Å; S540-E543 PolarHBondContact OG-N 3.46Å; S540-E543 PolarHBondContact OG-OE2 3.13Å; E543-R546 PolarHBondContact O-N 2.72Å; E543-Y547 PolarHBondContact O-N 3.34Å
544	L	98.6	Very high	98.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-44.7	175.8	-171.9	76.1	0	0	0	111.3	T148 I149 F403 V406 Y407 F538 S540 R546 Y547 M548	T148-L544 HydrophobicContact CG2-CD2 3.71Å; I149-L544 HydrophobicContact CD1-CD2 4.3Å; I149-L544 HydrophobicContact CG1-CD2 3.91Å; F403-L544 HydrophobicContact CD1-CD1 4.22Å; V406-L544 HydrophobicContact CG1-CD1 3.84Å; Y407-L544 HydrophobicContact CD1-CD2 4.42Å; Y407-L544 HydrophobicContact CD2-CB 3.96Å; Y407-L544 HydrophobicContact CD2-CD1 4.47Å; Y407-L544 HydrophobicContact CD2-CD2 3.59Å; Y407-L544 HydrophobicContact CD2-CG 4.2Å; Y407-L544 HydrophobicContact CE2-CB 4.33Å; Y407-L544 HydrophobicContact CE2-CD2 4.19Å; Y407-L544 HydrophobicContact CG-CD2 3.71Å; F538-L544 HydrophobicContact CB-CD1 4.32Å; S540-L544 PolarHBondContact O-N 3.13Å; L544-R546 VanDerWaalsContact C-N 3.3Å; L544-R546 PolarHBondContact O-N 3.35Å; L544-Y547 PolarHBondContact O-N 3.21Å; L544-Y547 VanDerWaalsContact O-N 3.1Å; L544-M548 HydrophobicContact CD2-CE 4.06Å; L544-M548 HydrophobicContact CD2-SD 4.3Å; L544-M548 HydrophobicContact CG-CE 4Å; L544-M548 HydrophobicContact CG-CG 4.32Å; L544-M548 HydrophobicContact CG-SD 4.25Å; L544-M548 WeakPolarHBondContact O-CG 3.48Å; L544-M548 PolarHBondContact O-N 2.8Å
545	L	98.6	Very high	98.4	Very high	72 Å²	72	58.1 Å²	58.1	38%	0.377	28%	0.283	S	S	.	.	H	α-helix	trans	-54.9	-47.5	175.7	176.9	66.6	0	0	0	111.2	N152 E541 Y547 K549	N152-L545 HydrophobicContact CB-CD1 4.4Å; E541-L545 WeakPolarHBondContact O-CB 3.04Å; E541-L545 PolarHBondContact O-N 3.41Å; L545-Y547 VanDerWaalsContact C-N 3.34Å; L545-Y547 PolarHBondContact O-N 3.01Å; L545-K549 WeakPolarHBondContact O-CB 3.45Å; L545-K549 PolarHBondContact O-N 2.87Å
546	R	98.6	Very high	98.4	Very high	175 Å²	175	58.6 Å²	58.6	66%	0.66	29%	0.286	S	S	*	.	H	α-helix	trans	-64	-38.3	176.9	-74	171.1	178.5	166.5	0.2	112	T542 E543 L544 K550	T542-R546 VanDerWaalsContact O-CG 3.29Å; T542-R546 WeakPolarHBondContact O-CG 3.19Å; T542-R546 PolarHBondContact O-N 2.79Å; T542-R546 VanDerWaalsContact O-N 3.08Å; E543-R546 PolarHBondContact O-N 2.72Å; L544-R546 VanDerWaalsContact C-N 3.3Å; L544-R546 PolarHBondContact O-N 3.35Å; R546-K550 VanDerWaalsContact O-CB 3.22Å; R546-K550 WeakPolarHBondContact O-CB 3.35Å; R546-K550 PolarHBondContact O-N 2.89Å
547	Y	98.7	Very high	98.4	Very high	5 Å²	5	55 Å²	55	2%	0.02	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-50.3	176.9	-176.1	-127.8	0	0	0	111.9	E176 N180 F403 V406 V534 F538 E543 L544 L545 K549 K550 L551	E176-Y547 WeakPolarHBondContact OE1-CE2 3.26Å; E176-Y547 PolarHBondContact OE1-OH 3.29Å; N180-Y547 PolarHBondContact ND2-OH 3.31Å; F403-Y547 HydrophobicContact CD1-CD1 4.18Å; F403-Y547 HydrophobicContact CD1-CE1 4.31Å; F403-Y547 AromaticContact CE1-CD1 3.72Å; F403-Y547 HydrophobicContact CE1-CD1 3.72Å; F403-Y547 AromaticContact CE1-CE1 3.78Å; F403-Y547 HydrophobicContact CE1-CE1 3.78Å; V406-Y547 HydrophobicContact CG1-CD1 4.21Å; V406-Y547 HydrophobicContact CG1-CE1 4.33Å; V534-Y547 HydrophobicContact CG2-CE1 4.1Å; V534-Y547 WeakPolarHBondContact CG2-OH 3.46Å; F538-Y547 HydrophobicContact CD1-CG 4.14Å; F538-Y547 AromaticContact CD2-CD1 3.98Å; F538-Y547 HydrophobicContact CD2-CD1 3.98Å; F538-Y547 HydrophobicContact CD2-CD2 4.4Å; F538-Y547 HydrophobicContact CD2-CE1 4.41Å; F538-Y547 AromaticContact CD2-CG 3.98Å; F538-Y547 HydrophobicContact CD2-CG 3.98Å; F538-Y547 HydrophobicContact CE1-CD2 4.07Å; F538-Y547 HydrophobicContact CE1-CG 4.05Å; F538-Y547 HydrophobicContact CE2-CD1 4.15Å; F538-Y547 AromaticContact CE2-CD2 3.83Å; F538-Y547 HydrophobicContact CE2-CD2 3.83Å; F538-Y547 HydrophobicContact CE2-CE1 4.37Å; F538-Y547 HydrophobicContact CE2-CE2 4.08Å; F538-Y547 AromaticContact CE2-CG 3.88Å; F538-Y547 HydrophobicContact CE2-CG 3.88Å; F538-Y547 HydrophobicContact CG-CD1 4.32Å; F538-Y547 HydrophobicContact CG-CG 4.12Å; F538-Y547 AromaticContact CZ-CD2 3.65Å; F538-Y547 HydrophobicContact CZ-CD2 3.65Å; F538-Y547 HydrophobicContact CZ-CE2 4.18Å; F538-Y547 AromaticContact CZ-CG 3.93Å; F538-Y547 HydrophobicContact CZ-CG 3.93Å; E543-Y547 PolarHBondContact O-N 3.34Å; L544-Y547 PolarHBondContact O-N 3.21Å; L544-Y547 VanDerWaalsContact O-N 3.1Å; L545-Y547 VanDerWaalsContact C-N 3.34Å; L545-Y547 PolarHBondContact O-N 3.01Å; Y547-K549 VanDerWaalsContact C-N 3.32Å; Y547-K549 PolarHBondContact O-N 3.05Å; Y547-K550 WeakPolarHBondContact O-CB 3.25Å; Y547-K550 PolarHBondContact O-N 3.17Å; Y547-L551 HydrophobicContact CD2-CG 4.35Å; Y547-L551 HydrophobicContact CE1-CD1 4Å; Y547-L551 HydrophobicContact CE2-CD1 3.99Å; Y547-L551 HydrophobicContact CE2-CD2 3.95Å; Y547-L551 HydrophobicContact CE2-CG 3.95Å; Y547-L551 WeakPolarHBondContact O-CG 3.47Å; Y547-L551 PolarHBondContact O-N 2.68Å
548	M	98.8	Very high	98.4	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-55.7	-47.1	175.7	-68.4	-174.3	-63.8	0	0	111.2	I149 N152 I153 F403 L544 L551 E552	I149-M548 HydrophobicContact CG1-SD 4.28Å; N152-M548 HydrophobicContact CB-CE 3.79Å; N152-M548 HydrophobicContact CB-SD 4.35Å; I153-M548 HydrophobicContact CD1-CB 3.94Å; I153-M548 HydrophobicContact CD1-CG 3.79Å; I153-M548 HydrophobicContact CD1-SD 3.64Å; I153-M548 HydrophobicContact CG1-CG 4.28Å; I153-M548 HydrophobicContact CG1-SD 3.48Å; I153-M548 WeakPolarHBondContact CG1-SD 3.35Å; F403-M548 HydrophobicContact CD1-CG 3.76Å; F403-M548 HydrophobicContact CD1-SD 4.47Å; F403-M548 HydrophobicContact CD2-CG 4.45Å; F403-M548 HydrophobicContact CE1-CB 4.45Å; F403-M548 HydrophobicContact CE1-CG 3.58Å; F403-M548 HydrophobicContact CE2-CG 4.3Å; F403-M548 HydrophobicContact CG-CG 4.21Å; F403-M548 HydrophobicContact CG-SD 4.41Å; F403-M548 HydrophobicContact CZ-CB 4.45Å; F403-M548 HydrophobicContact CZ-CG 3.86Å; L544-M548 HydrophobicContact CD2-CE 4.06Å; L544-M548 HydrophobicContact CD2-SD 4.3Å; L544-M548 HydrophobicContact CG-CE 4Å; L544-M548 HydrophobicContact CG-CG 4.32Å; L544-M548 HydrophobicContact CG-SD 4.25Å; L544-M548 WeakPolarHBondContact O-CG 3.48Å; L544-M548 PolarHBondContact O-N 2.8Å; M548-L551 PolarHBondContact O-N 3.49Å; M548-E552 WeakPolarHBondContact O-CB 3.49Å; M548-E552 PolarHBondContact O-N 3.01Å
549	K	98.7	Very high	98.3	Very high	88 Å²	88	55.1 Å²	55.1	38%	0.383	28%	0.275	S	S	.	.	H	α-helix	trans	-68	-35.8	178.9	-171	51.5	168.4	159.6	0	113.1	L545 Y547 L551 E552 N553	L545-K549 WeakPolarHBondContact O-CB 3.45Å; L545-K549 PolarHBondContact O-N 2.87Å; Y547-K549 VanDerWaalsContact C-N 3.32Å; Y547-K549 PolarHBondContact O-N 3.05Å; K549-L551 VanDerWaalsContact C-N 3.32Å; K549-L551 PolarHBondContact O-N 3.36Å; K549-E552 HydrophobicContact CD-CB 4.39Å; K549-E552 WeakPolarHBondContact CD-OE2 3.35Å; K549-E552 VanDerWaalsContact NZ-CD 3.31Å; K549-E552 IonicContact NZ-OE1 3.5Å; K549-E552 PolarHBondContact NZ-OE1 3.43Å; K549-E552 IonicContact NZ-OE2 2.76Å; K549-E552 PolarHBondContact O-N 3.39Å; K549-N553 VanDerWaalsContact CE-OD1 3.25Å; K549-N553 WeakPolarHBondContact CE-OD1 3.36Å; K549-N553 PolarHBondContact NZ-OD1 3.47Å; K549-N553 WeakPolarHBondContact O-CB 3.45Å; K549-N553 VanDerWaalsContact O-CG 3.25Å; K549-N553 PolarHBondContact O-N 2.86Å
550	K	98.4	Very high	98.1	Very high	128 Å²	128	54.9 Å²	54.9	56%	0.557	27%	0.274	S	S	*	.	H	α-helix	trans	-60.1	-43	174	178.4	-175	176.2	-173.2	0	110.9	R546 Y547 K554	R546-K550 VanDerWaalsContact O-CB 3.22Å; R546-K550 WeakPolarHBondContact O-CB 3.35Å; R546-K550 PolarHBondContact O-N 2.89Å; Y547-K550 WeakPolarHBondContact O-CB 3.25Å; Y547-K550 PolarHBondContact O-N 3.17Å; K550-K554 WeakPolarHBondContact O-CG 3.22Å
551	L	98.7	Very high	98	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-71.8	-45.4	178.1	-62.6	-167.6	0	0	0	111.9	W159 G173 E176 F403 Y547 M548 K549 N553 K554	W159-L551 HydrophobicContact CH2-CB 3.86Å; W159-L551 HydrophobicContact CH2-CD1 4.31Å; W159-L551 HydrophobicContact CZ2-CB 3.78Å; G173-L551 VanDerWaalsContact CA-O 3.32Å; G173-L551 WeakPolarHBondContact CA-O 3.43Å; E176-L551 HydrophobicContact CB-CD2 4.27Å; E176-L551 VanDerWaalsContact CD-CD2 3.43Å; E176-L551 HydrophobicContact CG-CD2 4.27Å; E176-L551 VanDerWaalsContact OE2-CD2 3.31Å; E176-L551 WeakPolarHBondContact OE2-CD2 3.31Å; F403-L551 HydrophobicContact CE1-CD1 4.19Å; F403-L551 HydrophobicContact CZ-CD1 3.98Å; Y547-L551 HydrophobicContact CD2-CG 4.35Å; Y547-L551 HydrophobicContact CE1-CD1 4Å; Y547-L551 HydrophobicContact CE2-CD1 3.99Å; Y547-L551 HydrophobicContact CE2-CD2 3.95Å; Y547-L551 HydrophobicContact CE2-CG 3.95Å; Y547-L551 WeakPolarHBondContact O-CG 3.47Å; Y547-L551 PolarHBondContact O-N 2.68Å; M548-L551 PolarHBondContact O-N 3.49Å; K549-L551 VanDerWaalsContact C-N 3.32Å; K549-L551 PolarHBondContact O-N 3.36Å; L551-N553 VanDerWaalsContact C-N 3.26Å; L551-N553 PolarHBondContact O-N 2.83Å; L551-K554 HydrophobicContact CD2-CD 4.46Å; L551-K554 WeakPolarHBondContact O-CB 3.25Å; L551-K554 PolarHBondContact O-N 2.91Å
552	E	98.6	Very high	98	Very high	21 Å²	21	47.9 Å²	47.9	10%	0.098	24%	0.237	C	C	.	.	H	α-helix	trans	-50.7	-46.4	175.7	-171.8	-165.6	135.1	0	0	111.8	N156 W159 M548 K549 K554 D555	N156-E552 PolarHBondContact ND2-OE2 3.06Å; W159-E552 HydrophobicContact CZ2-CB 4.49Å; M548-E552 WeakPolarHBondContact O-CB 3.49Å; M548-E552 PolarHBondContact O-N 3.01Å; K549-E552 HydrophobicContact CD-CB 4.39Å; K549-E552 WeakPolarHBondContact CD-OE2 3.35Å; K549-E552 VanDerWaalsContact NZ-CD 3.31Å; K549-E552 IonicContact NZ-OE1 3.5Å; K549-E552 PolarHBondContact NZ-OE1 3.43Å; K549-E552 IonicContact NZ-OE2 2.76Å; K549-E552 PolarHBondContact O-N 3.39Å; E552-K554 PolarHBondContact O-N 2.97Å; E552-K554 VanDerWaalsContact O-N 3.1Å; E552-D555 PolarHBondContact O-N 2.83Å
553	N	97.8	Very high	98	Very high	98 Å²	98	44.4 Å²	44.4	52%	0.524	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-6.8	-177.8	-71.3	-4.3	0	0	0	114.2	K549 L551	K549-N553 VanDerWaalsContact CE-OD1 3.25Å; K549-N553 WeakPolarHBondContact CE-OD1 3.36Å; K549-N553 PolarHBondContact NZ-OD1 3.47Å; K549-N553 WeakPolarHBondContact O-CB 3.45Å; K549-N553 VanDerWaalsContact O-CG 3.25Å; K549-N553 PolarHBondContact O-N 2.86Å; L551-N553 VanDerWaalsContact C-N 3.26Å; L551-N553 PolarHBondContact O-N 2.83Å
554	K	98.3	Very high	98	Very high	45 Å²	45	40.4 Å²	40.4	20%	0.196	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-12	171.7	-54.9	-175	-178.6	176.9	0	113	I170 Q172 E176 K550 L551 E552 T1011	I170-K554 CarbonylContact C-O 3.5Å; I170-K554 VanDerWaalsContact C-O 3.31Å; Q172-K554 HydrophobicContact CB-CB 4.24Å; Q172-K554 HydrophobicContact CB-CD 3.86Å; E176-K554 IonicContact OE2-NZ 3.59Å; E176-K554 PolarHBondContact OE2-NZ 2.79Å; K550-K554 WeakPolarHBondContact O-CG 3.22Å; L551-K554 HydrophobicContact CD2-CD 4.46Å; L551-K554 WeakPolarHBondContact O-CB 3.25Å; L551-K554 PolarHBondContact O-N 2.91Å; E552-K554 PolarHBondContact O-N 2.97Å; E552-K554 VanDerWaalsContact O-N 3.1Å; K554-T1011 HydrophobicContact CB-CG2 3.74Å; K554-T1011 HydrophobicContact CG-CG2 3.93Å
555	D	98.6	Very high	98	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.032	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-110.1	125.3	-169.4	-76.4	16.8	0	0	0	110.7	I170 S171 Q172 G173 R174 E552 H560	I170-D555 WeakPolarHBondContact O-CA 3.24Å; S171-D555 WeakPolarHBondContact CA-OD1 3.37Å; Q172-D555 PolarHBondContact N-OD1 3.34Å; G173-D555 WeakPolarHBondContact CA-OD1 3.36Å; G173-D555 PolarHBondContact N-OD1 2.85Å; R174-D555 WeakPolarHBondContact CB-OD2 3.41Å; R174-D555 WeakPolarHBondContact CD-OD2 3.34Å; R174-D555 WeakPolarHBondContact CG-OD2 3.43Å; R174-D555 IonicContact CZ-OD2 3Å; R174-D555 PolarHBondContact N-OD1 3.1Å; R174-D555 PolarHBondContact N-OD2 2.95Å; R174-D555 IonicContact NH1-OD1 3.13Å; R174-D555 IonicContact NH1-OD2 2.73Å; R174-D555 PolarHBondContact NH1-OD2 3.05Å; E552-D555 PolarHBondContact O-N 2.83Å; D555-H560 PolarHBondContact O-CE1 3.01Å
556	I	98	Very high	97.9	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.056	18%	0.18	C	C	.	.			trans	-72.2	146.4	164.9	-159.2	164	0	0	0	109.6	S162 I170 H560 H910 L1008	S162-I556 WeakPolarHBondContact CB-O 3.25Å; I170-I556 HydrophobicContact CB-CB 4.3Å; I170-I556 HydrophobicContact CB-CG2 4.06Å; I170-I556 HydrophobicContact CD1-CB 4.33Å; I170-I556 HydrophobicContact CD1-CG2 3.51Å; I170-I556 HydrophobicContact CG1-CG2 3.77Å; I170-I556 PolarHBondContact O-N 3.46Å; I556-H560 HydrophobicContact CG1-CB 4.12Å; I556-H910 HydrophobicContact CG2-CB 3.96Å; I556-L1008 HydrophobicContact CD1-CD1 3.86Å; I556-L1008 HydrophobicContact CG1-CD1 4.17Å
557	S	98.3	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.			trans	-154.9	173.2	-174.9	78	0	0	0	0	109.1	T161 A559 H560	T161-S557 WeakPolarHBondContact OG1-CB 3.43Å; S557-A559 PolarHBondContact O-N 3.41Å; S557-A559 VanDerWaalsContact O-N 3.13Å; S557-A559 PolarHBondContact OG-N 3.38Å; S557-H560 PolarHBondContact N-ND1 2.88Å; S557-H560 VanDerWaalsContact N-ND1 3.13Å; S557-H560 WeakPolarHBondContact O-CB 3.3Å; S557-H560 PolarHBondContact O-N 3.01Å; S557-H560 PolarHBondContact OG-ND1 2.79Å; S557-H560 VanDerWaalsContact OG-ND1 3.1Å
558	L	98.2	Very high	97.6	Very high	37 Å²	37	29.3 Å²	29.3	19%	0.194	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.3	178.8	-61.8	179	0	0	0	113.2	T161 H560 I563 M570 K571	T161-L558 HydrophobicContact CG2-CB 4.23Å; T161-L558 PolarHBondContact OG1-N 3.19Å; L558-H560 PolarHBondContact O-N 3.35Å; L558-I563 HydrophobicContact CD2-CB 3.94Å; L558-I563 HydrophobicContact CD2-CD1 4.19Å; L558-I563 HydrophobicContact CD2-CG1 3.96Å; L558-M570 HydrophobicContact CD1-CE 4.23Å; L558-M570 HydrophobicContact CD2-CB 4.2Å; L558-M570 HydrophobicContact CD2-CE 4.36Å; L558-M570 HydrophobicContact CG-CE 4.27Å; L558-K571 WeakPolarHBondContact CD1-O 3.48Å
559	A	95.1	Very high	97.6	Very high	68 Å²	68	29.3 Å²	29.3	56%	0.562	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-9.9	170.5	0	0	0	0	0	113.1	S557	S557-A559 PolarHBondContact O-N 3.41Å; S557-A559 VanDerWaalsContact O-N 3.13Å; S557-A559 PolarHBondContact OG-N 3.38Å
560	H	95.3	Very high	97.6	Very high	76 Å²	76	25.2 Å²	25.2	35%	0.352	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-54.4	-174.6	-58.5	108.7	0	0	0	113	D555 I556 S557 L558 L1008	D555-H560 PolarHBondContact O-CE1 3.01Å; I556-H560 HydrophobicContact CG1-CB 4.12Å; S557-H560 PolarHBondContact N-ND1 2.88Å; S557-H560 VanDerWaalsContact N-ND1 3.13Å; S557-H560 WeakPolarHBondContact O-CB 3.3Å; S557-H560 PolarHBondContact O-N 3.01Å; S557-H560 PolarHBondContact OG-ND1 2.79Å; S557-H560 VanDerWaalsContact OG-ND1 3.1Å; L558-H560 PolarHBondContact O-N 3.35Å; H560-L1008 HydrophobicContact CB-CD1 3.65Å; H560-L1008 HydrophobicContact CB-CD2 4.21Å; H560-L1008 WeakPolarHBondContact CD2-CD2 3.3Å
561	S	95.8	Very high	97.6	Very high	13 Å²	13	19.1 Å²	19.1	9%	0.091	11%	0.108	C	C	.	.	S	Bend	trans	-162.1	168.2	-178.8	58	0	0	0	0	110.9	I563 G908 E934	S561-I563 PolarHBondContact O-N 3.22Å; S561-G908 PolarHBondContact OG-O 3.07Å; S561-E934 VanDerWaalsContact CA-OE1 3.25Å; S561-E934 WeakPolarHBondContact CA-OE1 3.32Å; S561-E934 WeakPolarHBondContact CB-OE1 3.37Å
562	M	97.9	Very high	97.6	Very high	2 Å²	2	22 Å²	22	1%	0.01	12%	0.123	C	C	.	.			trans	-54.6	134.4	172.4	174.6	174.1	48.9	0	0	111.3	P564 M860 F909 P926 E930 E934 L938	M562-P564 HydrophobicContact CG-CB 4.14Å; M562-P564 WeakPolarHBondContact O-CD 3.23Å; M562-P564 HydrophobicContact SD-CB 4.17Å; M562-M860 HydrophobicContact CE-CE 4.44Å; M562-F909 HydrophobicContact CB-CE1 4.44Å; M562-P926 HydrophobicContact SD-CB 3.75Å; M562-E930 WeakPolarHBondContact CA-OE1 3.34Å; M562-E930 HydrophobicContact CB-CG 4Å; M562-E930 WeakPolarHBondContact CB-OE1 3.38Å; M562-E930 HydrophobicContact CG-CG 3.71Å; M562-E930 HydrophobicContact SD-CB 3.97Å; M562-E930 HydrophobicContact SD-CG 3.69Å; M562-E934 HydrophobicContact CB-CG 3.53Å; M562-E934 HydrophobicContact CE-CG 4.22Å; M562-E934 PolarHBondContact N-OE1 3.25Å; M562-L938 HydrophobicContact CE-CB 3.54Å; M562-L938 HydrophobicContact CE-CD2 3.37Å; M562-L938 HydrophobicContact CE-CG 4.09Å; M562-L938 HydrophobicContact SD-CD2 4.45Å
563	I	98.7	Very high	97.6	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.015	12%	0.121	C	C	.	.			trans	-109.6	91	170.5	-61.5	179.3	0	0	0	107.5	L558 S561 L565 M570 H910	L558-I563 HydrophobicContact CD2-CB 3.94Å; L558-I563 HydrophobicContact CD2-CD1 4.19Å; L558-I563 HydrophobicContact CD2-CG1 3.96Å; S561-I563 PolarHBondContact O-N 3.22Å; I563-L565 HydrophobicContact CG2-CD1 3.7Å; I563-L565 HydrophobicContact CG2-CG 3.77Å; I563-L565 PolarHBondContact O-N 2.79Å; I563-M570 HydrophobicContact CB-CB 4.42Å; I563-M570 HydrophobicContact CB-CE 4.38Å; I563-M570 HydrophobicContact CB-CG 4.22Å; I563-M570 HydrophobicContact CG2-CE 4.3Å; I563-M570 HydrophobicContact CG2-CG 4.04Å; I563-M570 WeakPolarHBondContact O-CB 3.49Å; I563-M570 WeakPolarHBondContact O-CG 3.31Å; I563-H910 HydrophobicContact CB-CB 4.28Å; I563-H910 HydrophobicContact CD1-CB 4.48Å; I563-H910 HydrophobicContact CG1-CB 3.87Å; I563-H910 HydrophobicContact CG2-CB 3.92Å
564	P	98.4	Very high	97.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.097	C	C	.	.			trans	-83.1	44.3	-166.4	38.8	-44.2	0	0	0	113.3	M562 G566 P912 I924 E925 L938	M562-P564 HydrophobicContact CG-CB 4.14Å; M562-P564 WeakPolarHBondContact O-CD 3.23Å; M562-P564 HydrophobicContact SD-CB 4.17Å; P564-G566 PolarHBondContact O-N 2.83Å; P564-P912 HydrophobicContact CG-CB 4.19Å; P564-P912 HydrophobicContact CG-CG 3.78Å; P564-I924 HydrophobicContact CB-CG2 4.11Å; P564-E925 CarbonylContact C-O 3.24Å; P564-E925 WeakPolarHBondContact CA-O 3.28Å; P564-E925 PolarHBondContact O-N 3.47Å; P564-L938 HydrophobicContact CB-CD2 3.64Å; P564-L938 HydrophobicContact CG-CD2 3.53Å
565	L	98.5	Very high	97.5	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.016	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-69.7	109.3	-176.3	-75.7	171	0	0	0	111.1	Y163 I563 C568 M570	Y163-L565 HydrophobicContact CD1-CD1 4.36Å; I563-L565 HydrophobicContact CG2-CD1 3.7Å; I563-L565 HydrophobicContact CG2-CG 3.77Å; I563-L565 PolarHBondContact O-N 2.79Å; L565-C568 HydrophobicContact CB-CB 3.69Å; L565-C568 VanDerWaalsContact O-CB 3.31Å; L565-C568 WeakPolarHBondContact O-CB 3.4Å; L565-C568 PolarHBondContact O-N 2.92Å; L565-M570 HydrophobicContact CB-CG 4.18Å; L565-M570 HydrophobicContact CD1-SD 4.38Å
566	G	96.6	Very high	97.5	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.01	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	139.5	168.7	0	0	0	0	0	113.3	P564 C568 E882 T913 M923	P564-G566 PolarHBondContact O-N 2.83Å; G566-C568 PolarHBondContact O-N 3.12Å; G566-E882 WeakPolarHBondContact CA-OE2 3.35Å; G566-T913 PolarHBondContact N-OG1 2.89Å; G566-T913 PolarHBondContact O-OG1 2.83Å; G566-M923 VanDerWaalsContact C-CE 3.49Å; G566-M923 PolarHBondContact N-O 3.05Å; G566-M923 VanDerWaalsContact N-O 3.13Å
567	S	95.9	Very high	97.5	Very high	7 Å²	7	19.3 Å²	19.3	5%	0.049	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	20.6	-176.3	-157.8	0	0	0	0	114.3	K764 E882 E925	S567-K764 WeakPolarHBondContact O-CD 3.27Å; S567-K764 WeakPolarHBondContact O-CE 3.36Å; S567-K764 PolarHBondContact O-NZ 3.25Å; S567-E882 PolarHBondContact N-OE2 3.19Å; S567-E925 PolarHBondContact N-OE2 2.85Å; S567-E925 VanDerWaalsContact N-OE2 3.07Å
568	C	96.3	Very high	97.5	Very high	8 Å²	8	20.7 Å²	20.7	5%	0.054	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-21.8	-179.6	-61.2	0	0	0	0	113.5	Y163 L565 G566 M570 K764 H770 E925	Y163-C568 HydrophobicContact CD1-CB 4.1Å; Y163-C568 HydrophobicContact CE1-CB 4.17Å; L565-C568 HydrophobicContact CB-CB 3.69Å; L565-C568 VanDerWaalsContact O-CB 3.31Å; L565-C568 WeakPolarHBondContact O-CB 3.4Å; L565-C568 PolarHBondContact O-N 2.92Å; G566-C568 PolarHBondContact O-N 3.12Å; C568-M570 HydrophobicContact CB-CG 4.26Å; C568-M570 HydrophobicContact CB-SD 4.18Å; C568-K764 WeakPolarHBondContact O-CG 3.23Å; C568-H770 PolarHBondContact O-NE2 3.19Å; C568-E925 PolarHBondContact N-OE2 2.96Å
569	T	98.4	Very high	97.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.131	C	C	.	.			trans	47.8	65.9	-178.9	-42.9	0	0	0	0	112.3	K571 N742 K764 H770 E925 T927	T569-K571 HydrophobicContact CG2-CB 4.42Å; T569-K571 HydrophobicContact CG2-CD 4.47Å; T569-K571 HydrophobicContact CG2-CG 4.39Å; T569-K571 PolarHBondContact O-N 2.9Å; T569-N742 HydrophobicContact CG2-CB 3.91Å; T569-N742 WeakPolarHBondContact CG2-ND2 3.49Å; T569-K764 WeakPolarHBondContact CG2-O 3.24Å; T569-H770 PolarHBondContact O-CE1 2.77Å; T569-H770 VanDerWaalsContact O-CE1 3.31Å; T569-E925 WeakPolarHBondContact CA-OE1 3.34Å; T569-E925 WeakPolarHBondContact CB-OE1 3.25Å; T569-E925 VanDerWaalsContact N-CD 3.33Å; T569-E925 PolarHBondContact N-OE1 3.23Å; T569-E925 PolarHBondContact N-OE2 2.94Å; T569-E925 PolarHBondContact OG1-OE1 2.97Å; T569-T927 HydrophobicContact CG2-CG2 3.96Å
570	M	98.6	Very high	97.5	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.01	11%	0.105	C	C	.	.			trans	-74.5	59.7	178.9	-60.1	-62.5	-54.1	0	0	112.1	T161 Y163 L558 I563 L565 C568 H770	T161-M570 WeakPolarHBondContact O-CE 3.43Å; Y163-M570 HydrophobicContact CG-SD 4.45Å; L558-M570 HydrophobicContact CD1-CE 4.23Å; L558-M570 HydrophobicContact CD2-CB 4.2Å; L558-M570 HydrophobicContact CD2-CE 4.36Å; L558-M570 HydrophobicContact CG-CE 4.27Å; I563-M570 HydrophobicContact CB-CB 4.42Å; I563-M570 HydrophobicContact CB-CE 4.38Å; I563-M570 HydrophobicContact CB-CG 4.22Å; I563-M570 HydrophobicContact CG2-CE 4.3Å; I563-M570 HydrophobicContact CG2-CG 4.04Å; I563-M570 WeakPolarHBondContact O-CB 3.49Å; I563-M570 WeakPolarHBondContact O-CG 3.31Å; L565-M570 HydrophobicContact CB-CG 4.18Å; L565-M570 HydrophobicContact CD1-SD 4.38Å; C568-M570 HydrophobicContact CB-CG 4.26Å; C568-M570 HydrophobicContact CB-SD 4.18Å; M570-H770 HydrophobicContact CE-CB 4.28Å; M570-H770 HydrophobicContact SD-CB 4.49Å; M570-H770 PolarHBondContact SD-CD2 3.47Å; M570-H770 PolarHBondContact SD-NE2 2.92Å
571	K	98.7	Very high	97.6	Very high	1 Å²	1	15.4 Å²	15.4	0%	0.004	9%	0.089	C	C	.	.			trans	-81.9	176.3	-179.3	67.2	171.2	65.6	-162	0	112.2	L558 T569 N573 N742 K764 T765 Y837 T927 E928	L558-K571 WeakPolarHBondContact CD1-O 3.48Å; T569-K571 HydrophobicContact CG2-CB 4.42Å; T569-K571 HydrophobicContact CG2-CD 4.47Å; T569-K571 HydrophobicContact CG2-CG 4.39Å; T569-K571 PolarHBondContact O-N 2.9Å; K571-N573 PolarHBondContact O-N 3.29Å; K571-N742 PolarHBondContact NZ-OD1 3.33Å; K571-K764 VanDerWaalsContact CE-O 3.31Å; K571-K764 WeakPolarHBondContact CE-O 3.26Å; K571-T765 VanDerWaalsContact CE-O 3.3Å; K571-T765 WeakPolarHBondContact CE-O 3.43Å; K571-T765 PolarHBondContact NZ-O 2.93Å; K571-Y837 PolarHBondContact NZ-OH 2.92Å; K571-T927 HydrophobicContact CB-CG2 4.28Å; K571-E928 VanDerWaalsContact CE-OE1 3.23Å; K571-E928 WeakPolarHBondContact CE-OE1 3.21Å; K571-E928 IonicContact NZ-OE1 3.13Å; K571-E928 PolarHBondContact NZ-OE1 3.15Å; K571-E928 IonicContact NZ-OE2 2.72Å
572	L	98.6	Very high	97.6	Very high	61 Å²	61	16.2 Å²	16.2	32%	0.319	9%	0.094	S	C	.	.			trans	-57	131.6	172.5	177.2	65.1	0	0	0	111.4	F65 H69 S767 S929	F65-L572 HydrophobicContact CZ-CD2 4.49Å; H69-L572 HydrophobicContact CB-CD2 4.43Å; L572-S767 PolarHBondContact O-OG 3.22Å; L572-S929 WeakPolarHBondContact CB-OG 3.47Å; L572-S929 PolarHBondContact N-OG 3.34Å
573	N	98.3	Very high	97.6	Very high	7 Å²	7	18.6 Å²	18.6	4%	0.037	10%	0.103	C	C	.	.			trans	-98.1	94.9	160.8	-47.7	116.9	0	0	0	107.3	Y160 K571 T575 L578 S767 P769	Y160-N573 HydrophobicContact CE2-CB 4.07Å; K571-N573 PolarHBondContact O-N 3.29Å; N573-T575 PolarHBondContact O-N 2.8Å; N573-L578 HydrophobicContact CB-CD1 4.14Å; N573-S767 PolarHBondContact ND2-O 2.98Å; N573-P769 HydrophobicContact CB-CB 4.38Å; N573-P769 WeakPolarHBondContact ND2-CA 3.32Å
574	G	96.8	Very high	97.5	Very high	2 Å²	2	22 Å²	22	2%	0.021	12%	0.121	C	C	.	.			trans	-64.5	132.6	-169.5	0	0	0	0	0	111.9	T576 E577 L578	G574-T576 VanDerWaalsContact C-N 3.26Å; G574-T576 PolarHBondContact O-N 2.99Å; G574-E577 WeakPolarHBondContact CA-OE2 3.33Å; G574-E577 PolarHBondContact N-OE2 3.37Å; G574-E577 WeakPolarHBondContact O-CA 3.23Å; G574-E577 VanDerWaalsContact O-CB 3.28Å; G574-E577 WeakPolarHBondContact O-CB 3.32Å; G574-E577 PolarHBondContact O-N 3.31Å; G574-L578 PolarHBondContact O-N 2.75Å
575	T	97.8	Very high	97.5	Very high	101 Å²	101	25.2 Å²	25.2	62%	0.62	14%	0.136	S	C	*	.	H	α-helix	trans	-54.5	-44.5	-179.4	-53.9	0	0	0	0	111.6	N573 E577 L578 L579	N573-T575 PolarHBondContact O-N 2.8Å; T575-E577 VanDerWaalsContact C-N 3.26Å; T575-E577 PolarHBondContact O-N 3.21Å; T575-L578 PolarHBondContact O-N 3.34Å; T575-L578 VanDerWaalsContact O-N 3.13Å; T575-L579 WeakPolarHBondContact O-CG 3.41Å; T575-L579 PolarHBondContact O-N 3.44Å
576	T	97.5	Very high	97.5	Very high	13 Å²	13	25 Å²	25	8%	0.08	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-34.1	177.2	-70.4	0	0	0	0	112.8	E115 L118 I119 G574 L578 L840	E115-T576 HydrophobicContact CB-CG2 4.05Å; E115-T576 HydrophobicContact CG-CG2 4.24Å; E115-T576 VanDerWaalsContact OE2-CB 3.31Å; E115-T576 WeakPolarHBondContact OE2-CB 3.39Å; E115-T576 PolarHBondContact OE2-OG1 3.18Å; L118-T576 HydrophobicContact CD2-CG2 3.76Å; I119-T576 HydrophobicContact CD1-CG2 4.08Å; I119-T576 HydrophobicContact CG1-CG2 3.91Å; G574-T576 VanDerWaalsContact C-N 3.26Å; G574-T576 PolarHBondContact O-N 2.99Å; T576-L578 VanDerWaalsContact C-N 3.32Å; T576-L840 HydrophobicContact CG2-CD1 4.19Å
577	E	98.1	Very high	97.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.5	-32.4	178	-51.3	168.6	158.3	0	0	111.5	F65 G574 T575 S767 I833 A836 Y837 L840	F65-E577 WeakPolarHBondContact CE1-OE1 3.2Å; F65-E577 HydrophobicContact CZ-CG 4.32Å; F65-E577 WeakPolarHBondContact CZ-OE1 3.42Å; G574-E577 WeakPolarHBondContact CA-OE2 3.33Å; G574-E577 PolarHBondContact N-OE2 3.37Å; G574-E577 WeakPolarHBondContact O-CA 3.23Å; G574-E577 VanDerWaalsContact O-CB 3.28Å; G574-E577 WeakPolarHBondContact O-CB 3.32Å; G574-E577 PolarHBondContact O-N 3.31Å; T575-E577 VanDerWaalsContact C-N 3.26Å; T575-E577 PolarHBondContact O-N 3.21Å; E577-S767 WeakPolarHBondContact OE2-CB 3.42Å; E577-S767 PolarHBondContact OE2-OG 3.3Å; E577-I833 HydrophobicContact CB-CG2 3.95Å; E577-A836 HydrophobicContact CB-CB 4.02Å; E577-A836 HydrophobicContact CG-CB 4.12Å; E577-Y837 WeakPolarHBondContact OE1-CA 3.3Å; E577-Y837 WeakPolarHBondContact OE1-CD2 3.41Å; E577-L840 HydrophobicContact CG-CD1 3.96Å
578	L	97.9	Very high	97.6	Very high	29 Å²	29	29.8 Å²	29.8	15%	0.152	16%	0.155	C	C	.	.	H	α-helix	trans	-84.3	-24.9	-176	-67.1	165.8	0	0	0	114	Y160 N573 G574 T575 T576 A580 C581 P769 I833	Y160-L578 HydrophobicContact CE1-CD1 4.16Å; Y160-L578 HydrophobicContact CE2-CD1 3.65Å; Y160-L578 VanDerWaalsContact CZ-CD1 3.44Å; Y160-L578 VanDerWaalsContact OH-CD1 3.29Å; Y160-L578 WeakPolarHBondContact OH-CD1 3.29Å; N573-L578 HydrophobicContact CB-CD1 4.14Å; G574-L578 PolarHBondContact O-N 2.75Å; T575-L578 PolarHBondContact O-N 3.34Å; T575-L578 VanDerWaalsContact O-N 3.13Å; T576-L578 VanDerWaalsContact C-N 3.32Å; L578-A580 PolarHBondContact O-N 2.88Å; L578-C581 WeakPolarHBondContact O-CB 3.32Å; L578-C581 PolarHBondContact O-N 3.08Å; L578-C581 PolarHBondContact O-SG 3.44Å; L578-P769 HydrophobicContact CD2-CG 3.92Å; L578-I833 HydrophobicContact CD2-CD1 3.69Å; L578-I833 HydrophobicContact CD2-CG1 4.11Å
579	L	96.8	Very high	97.7	Very high	68 Å²	68	29.6 Å²	29.6	36%	0.356	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-49.9	-40	-171.7	-72.6	176.6	0	0	0	113.9	I119 T575 C581 W583	I119-L579 HydrophobicContact CD1-CD1 3.7Å; I119-L579 HydrophobicContact CG1-CD1 4.08Å; T575-L579 WeakPolarHBondContact O-CG 3.41Å; T575-L579 PolarHBondContact O-N 3.44Å; L579-C581 VanDerWaalsContact C-N 3.27Å; L579-C581 PolarHBondContact O-N 2.65Å; L579-W583 HydrophobicContact CB-CZ2 4.24Å; L579-W583 VanDerWaalsContact O-CD1 3.28Å; L579-W583 PolarHBondContact O-NE1 2.83Å
580	A	97.3	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-70.5	-21.5	-175.1	0	0	0	0	0	113.8	L122 L578 S582 W583 V586 P832	L122-A580 HydrophobicContact CD2-CB 3.53Å; L122-A580 HydrophobicContact CG-CB 4.1Å; L578-A580 PolarHBondContact O-N 2.88Å; A580-S582 PolarHBondContact O-N 3.31Å; A580-W583 HydrophobicContact CB-CD2 4.04Å; A580-W583 HydrophobicContact CB-CE3 3.8Å; A580-W583 HydrophobicContact CB-CH2 4Å; A580-W583 HydrophobicContact CB-CZ2 4.24Å; A580-W583 HydrophobicContact CB-CZ3 3.79Å; A580-W583 WeakPolarHBondContact O-CB 3.41Å; A580-W583 PolarHBondContact O-N 2.67Å; A580-V586 HydrophobicContact CB-CG2 4.42Å; A580-V586 WeakPolarHBondContact O-CB 3.1Å; A580-V586 VanDerWaalsContact O-CG2 3.29Å; A580-V586 WeakPolarHBondContact O-CG2 2.95Å; A580-P832 HydrophobicContact CB-CB 4.04Å
581	C	97	Very high	97.7	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.02	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-64	-24.3	-175.4	-60.8	0	0	0	0	112.9	F154 L578 L579 N587 I833	F154-C581 HydrophobicContact CE1-CB 3.92Å; F154-C581 HydrophobicContact CZ-CB 3.87Å; L578-C581 WeakPolarHBondContact O-CB 3.32Å; L578-C581 PolarHBondContact O-N 3.08Å; L578-C581 PolarHBondContact O-SG 3.44Å; L579-C581 VanDerWaalsContact C-N 3.27Å; L579-C581 PolarHBondContact O-N 2.65Å; C581-N587 WeakPolarHBondContact O-CB 3.22Å; C581-N587 PolarHBondContact O-ND2 2.82Å; C581-I833 VanDerWaalsContact SG-CG1 3.54Å
582	S	96.1	Very high	97.6	Very high	29 Å²	29	30 Å²	30	20%	0.203	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-96.2	-0.8	176.7	60.4	0	0	0	0	114.3	E155 A580 N587	E155-S582 WeakPolarHBondContact OE1-CB 3.17Å; E155-S582 PolarHBondContact OE1-OG 3.49Å; A580-S582 PolarHBondContact O-N 3.31Å; S582-N587 VanDerWaalsContact C-ND2 3.34Å; S582-N587 VanDerWaalsContact CA-ND2 3.32Å; S582-N587 WeakPolarHBondContact CA-ND2 3.47Å; S582-N587 PolarHBondContact O-ND2 3.08Å
583	W	97.8	Very high	97.6	Very high	52 Å²	52	27.2 Å²	27.2	20%	0.197	14%	0.141	C	C	.	.			trans	-75.8	140.4	179.4	-61.6	-5.5	0	0	0	112.5	L122 K123 L579 A580 H585 V586 N587	L122-W583 HydrophobicContact CB-CH2 4.3Å; L122-W583 HydrophobicContact CB-CZ3 4.29Å; L122-W583 HydrophobicContact CD2-CH2 4.3Å; L122-W583 HydrophobicContact CD2-CZ3 4.39Å; L122-W583 HydrophobicContact CG-CH2 4.15Å; L122-W583 HydrophobicContact CG-CZ3 3.88Å; K123-W583 HydrophobicContact CB-CH2 4.47Å; K123-W583 HydrophobicContact CB-CZ3 4.28Å; K123-W583 HydrophobicContact CD-CH2 4.41Å; K123-W583 HydrophobicContact CG-CE3 4.25Å; K123-W583 HydrophobicContact CG-CH2 3.43Å; K123-W583 VanDerWaalsContact CG-CH2 3.43Å; K123-W583 HydrophobicContact CG-CZ2 4.03Å; K123-W583 HydrophobicContact CG-CZ3 3.54Å; L579-W583 HydrophobicContact CB-CZ2 4.24Å; L579-W583 VanDerWaalsContact O-CD1 3.28Å; L579-W583 PolarHBondContact O-NE1 2.83Å; A580-W583 HydrophobicContact CB-CD2 4.04Å; A580-W583 HydrophobicContact CB-CE3 3.8Å; A580-W583 HydrophobicContact CB-CH2 4Å; A580-W583 HydrophobicContact CB-CZ2 4.24Å; A580-W583 HydrophobicContact CB-CZ3 3.79Å; A580-W583 WeakPolarHBondContact O-CB 3.41Å; A580-W583 PolarHBondContact O-N 2.67Å; W583-H585 VanDerWaalsContact C-N 3.34Å; W583-H585 PolarHBondContact O-N 2.87Å; W583-V586 HydrophobicContact CB-CB 4.44Å; W583-V586 HydrophobicContact CB-CG2 4Å; W583-V586 HydrophobicContact CE3-CG2 4.34Å; W583-V586 WeakPolarHBondContact O-CA 3.33Å; W583-V586 WeakPolarHBondContact O-CB 3.43Å; W583-V586 PolarHBondContact O-N 3.15Å; W583-N587 PolarHBondContact O-N 3.2Å; W583-N587 PolarHBondContact O-OD1 2.75Å
584	D	96.9	Very high	97.4	Very high	75 Å²	75	30 Å²	30	40%	0.401	16%	0.16	S	C	.	.	H	α-helix	trans	-54.8	-45.1	179.9	-76.3	6	0	0	0	113.3	V131 V586 K588	V131-D584 WeakPolarHBondContact CG2-O 3.5Å; D584-V586 PolarHBondContact O-N 2.78Å; D584-V586 VanDerWaalsContact O-N 3.08Å; D584-K588 HydrophobicContact CB-CD 3.93Å; D584-K588 HydrophobicContact CB-CG 4.38Å; D584-K588 VanDerWaalsContact CG-CE 3.4Å; D584-K588 WeakPolarHBondContact O-CB 3.26Å; D584-K588 PolarHBondContact O-N 3.18Å; D584-K588 VanDerWaalsContact O-N 3.09Å; D584-K588 WeakPolarHBondContact OD1-CD 3.37Å; D584-K588 WeakPolarHBondContact OD1-CE 3.38Å; D584-K588 IonicContact OD1-NZ 3.25Å; D584-K588 PolarHBondContact OD1-NZ 2.94Å; D584-K588 IonicContact OD2-NZ 3.58Å; D584-K588 PolarHBondContact OD2-NZ 2.76Å
585	H	97.7	Very high	97.3	Very high	67 Å²	67	34.5 Å²	34.5	31%	0.31	18%	0.179	S	C	.	.	H	α-helix	trans	-69	-2.3	178.7	-64.7	-87.6	0	0	0	114.3	M126 N129 V131 W583 L589	M126-H585 HydrophobicContact CB-CB 4.49Å; M126-H585 WeakPolarHBondContact O-CB 3.39Å; N129-H585 PolarHBondContact ND2-O 3.38Å; N129-H585 PolarHBondContact O-ND1 3.41Å; V131-H585 HydrophobicContact CG2-CB 4.29Å; W583-H585 VanDerWaalsContact C-N 3.34Å; W583-H585 PolarHBondContact O-N 2.87Å; H585-L589 VanDerWaalsContact O-CD1 3.26Å; H585-L589 WeakPolarHBondContact O-CD1 3.17Å
586	V	98.3	Very high	97.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-109.1	-59.9	174.8	-176.6	0	0	0	0	108.6	M126 A580 W583 D584 Y601 P832	M126-V586 HydrophobicContact CB-CG2 3.99Å; M126-V586 HydrophobicContact CE-CB 4.3Å; M126-V586 HydrophobicContact CE-CG1 4.36Å; M126-V586 HydrophobicContact CE-CG2 3.7Å; M126-V586 HydrophobicContact CG-CG2 3.78Å; A580-V586 HydrophobicContact CB-CG2 4.42Å; A580-V586 WeakPolarHBondContact O-CB 3.1Å; A580-V586 VanDerWaalsContact O-CG2 3.29Å; A580-V586 WeakPolarHBondContact O-CG2 2.95Å; W583-V586 HydrophobicContact CB-CB 4.44Å; W583-V586 HydrophobicContact CB-CG2 4Å; W583-V586 HydrophobicContact CE3-CG2 4.34Å; W583-V586 WeakPolarHBondContact O-CA 3.33Å; W583-V586 WeakPolarHBondContact O-CB 3.43Å; W583-V586 PolarHBondContact O-N 3.15Å; D584-V586 PolarHBondContact O-N 2.78Å; D584-V586 VanDerWaalsContact O-N 3.08Å; V586-Y601 VanDerWaalsContact C-OH 3.27Å; V586-Y601 VanDerWaalsContact CG1-OH 3.24Å; V586-Y601 WeakPolarHBondContact CG1-OH 3.41Å; V586-Y601 WeakPolarHBondContact O-CE2 3.41Å; V586-Y601 PolarHBondContact O-OH 2.96Å; V586-P832 HydrophobicContact CG1-CG 4.15Å
587	N	97.2	Very high	97.2	Very high	11 Å²	11	38 Å²	38	6%	0.059	18%	0.184	C	C	.	.	H	α-helix	trans	-97.1	-10	-165.1	73.2	14.1	0	0	0	116.1	P332 M333 G334 C581 S582 W583	P332-N587 HydrophobicContact CB-CB 3.89Å; P332-N587 WeakPolarHBondContact CB-O 3.45Å; P332-N587 HydrophobicContact CG-CB 4.4Å; M333-N587 PolarHBondContact N-O 3.21Å; G334-N587 WeakPolarHBondContact CA-O 3.05Å; G334-N587 PolarHBondContact N-O 3.24Å; C581-N587 WeakPolarHBondContact O-CB 3.22Å; C581-N587 PolarHBondContact O-ND2 2.82Å; S582-N587 VanDerWaalsContact C-ND2 3.34Å; S582-N587 VanDerWaalsContact CA-ND2 3.32Å; S582-N587 WeakPolarHBondContact CA-ND2 3.47Å; S582-N587 PolarHBondContact O-ND2 3.08Å; W583-N587 PolarHBondContact O-N 3.2Å; W583-N587 PolarHBondContact O-OD1 2.75Å
588	K	97.8	Very high	97.1	Very high	97 Å²	97	38 Å²	38	42%	0.422	18%	0.184	S	C	.	.	S	Bend	trans	-92.3	-3.5	-179.4	-69	-172	177.7	165.7	0	114.7	V131 M333 D584	V131-K588 HydrophobicContact CG1-CB 3.82Å; M333-K588 VanDerWaalsContact CE-O 3.25Å; M333-K588 WeakPolarHBondContact CE-O 3.45Å; D584-K588 HydrophobicContact CB-CD 3.93Å; D584-K588 HydrophobicContact CB-CG 4.38Å; D584-K588 VanDerWaalsContact CG-CE 3.4Å; D584-K588 WeakPolarHBondContact O-CB 3.26Å; D584-K588 PolarHBondContact O-N 3.18Å; D584-K588 VanDerWaalsContact O-N 3.09Å; D584-K588 WeakPolarHBondContact OD1-CD 3.37Å; D584-K588 WeakPolarHBondContact OD1-CE 3.38Å; D584-K588 IonicContact OD1-NZ 3.25Å; D584-K588 PolarHBondContact OD1-NZ 2.94Å; D584-K588 IonicContact OD2-NZ 3.58Å; D584-K588 PolarHBondContact OD2-NZ 2.76Å
589	L	98.3	Very high	97.1	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	20%	0.195	C	C	.	.			trans	-76.5	135	-178.7	-70.2	149.2	0	0	0	111	N129 E130 V131 M333 F335 H585 V598 Y601	N129-L589 HydrophobicContact CB-CD1 3.71Å; E130-L589 WeakPolarHBondContact O-CD2 3.32Å; V131-L589 HydrophobicContact CG2-CD2 4.43Å; V131-L589 HydrophobicContact CG2-CG 4.36Å; M333-L589 WeakPolarHBondContact CB-O 3.49Å; F335-L589 VanDerWaalsContact CA-O 3.26Å; F335-L589 WeakPolarHBondContact CA-O 3.12Å; F335-L589 HydrophobicContact CB-CB 4.15Å; F335-L589 HydrophobicContact CD2-CB 4.34Å; F335-L589 PolarHBondContact N-O 3.06Å; H585-L589 VanDerWaalsContact O-CD1 3.26Å; H585-L589 WeakPolarHBondContact O-CD1 3.17Å; L589-V598 HydrophobicContact CD1-CG1 4.43Å; L589-V598 HydrophobicContact CD2-CG1 4.19Å; L589-Y601 HydrophobicContact CD1-CD2 3.84Å; L589-Y601 HydrophobicContact CD1-CE2 3.59Å
590	H	98.6	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.			trans	-75	138	172.4	-178	-75.3	0	0	0	109.8	I136 G137 Y140 M333 F335 F592 V593	I136-H590 VanDerWaalsContact CG2-CE1 3.46Å; I136-H590 WeakPolarHBondContact CG2-CE1 3.44Å; G137-H590 PolarHBondContact O-NE2 2.97Å; Y140-H590 PolarHBondContact O-CD2 3.41Å; Y140-H590 PolarHBondContact O-NE2 2.9Å; M333-H590 HydrophobicContact CE-CB 3.96Å; M333-H590 HydrophobicContact SD-CB 3.77Å; M333-H590 VanDerWaalsContact SD-CD2 3.55Å; F335-H590 WeakPolarHBondContact CD2-O 3.49Å; H590-F592 AromaticContact CE1-CD2 3.54Å; H590-F592 AromaticContact CE1-CG 3.85Å; H590-F592 PolarHBondContact ND1-N 3.2Å; H590-F592 PolarHBondContact O-N 2.83Å; H590-F592 VanDerWaalsContact O-N 3.1Å; H590-V593 HydrophobicContact CB-CG1 3.86Å; H590-V593 WeakPolarHBondContact O-CG1 3.42Å; H590-V593 WeakPolarHBondContact O-CG2 3.32Å; H590-V593 PolarHBondContact O-N 3.31Å
591	P	98	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.7	-174.7	19.6	-30.8	0	0	0	114.7	Y140 F335 A823	Y140-P591 HydrophobicContact CD1-CG 3.77Å; Y140-P591 HydrophobicContact CD2-CG 3.38Å; Y140-P591 HydrophobicContact CE1-CG 3.92Å; Y140-P591 HydrophobicContact CE2-CG 3.55Å; Y140-P591 HydrophobicContact CG-CG 3.49Å; Y140-P591 VanDerWaalsContact CG-CG 3.49Å; F335-P591 WeakPolarHBondContact CE2-O 3.36Å; P591-A823 HydrophobicContact CB-CB 4.21Å
592	F	97.4	Very high	97.2	Very high	12 Å²	12	38 Å²	38	5%	0.053	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	19.1	-175.5	-48.1	-35	0	0	0	114.3	Q138 Y140 Q230 H590 H793 L795	Q138-F592 HydrophobicContact CB-CD2 4.1Å; Q138-F592 HydrophobicContact CB-CE2 3.93Å; Q138-F592 VanDerWaalsContact OE1-CD2 3.25Å; Y140-F592 AromaticContact CD2-CE2 3.98Å; Y140-F592 HydrophobicContact CD2-CE2 3.98Å; Y140-F592 HydrophobicContact CD2-CZ 4.26Å; Y140-F592 AromaticContact CE2-CE2 3.93Å; Y140-F592 HydrophobicContact CE2-CE2 3.93Å; Y140-F592 AromaticContact CE2-CZ 3.76Å; Y140-F592 HydrophobicContact CE2-CZ 3.76Å; Q230-F592 HydrophobicContact CB-CZ 4.43Å; Q230-F592 HydrophobicContact CG-CZ 4.12Å; H590-F592 AromaticContact CE1-CD2 3.54Å; H590-F592 AromaticContact CE1-CG 3.85Å; H590-F592 PolarHBondContact ND1-N 3.2Å; H590-F592 PolarHBondContact O-N 2.83Å; H590-F592 VanDerWaalsContact O-N 3.1Å; F592-H793 AromaticContact CD1-CE1 3.99Å; F592-H793 AromaticContact CE1-CE1 3.52Å; F592-H793 AromaticContact CE1-NE2 3.6Å; F592-L795 HydrophobicContact CB-CD2 3.58Å; F592-L795 HydrophobicContact CD1-CD2 4.09Å; F592-L795 HydrophobicContact CG-CD2 4.05Å
593	V	97.5	Very high	97.3	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	19%	0.193	C	C	.	.	S	Bend	trans	-62.3	157.5	170.7	-65.4	0	0	0	0	111.6	I136 F335 N472 H590 Q597 V598 Y796	I136-V593 HydrophobicContact CD1-CG1 4.42Å; F335-V593 HydrophobicContact CE2-CG2 4.22Å; N472-V593 WeakPolarHBondContact ND2-CG1 3.41Å; H590-V593 HydrophobicContact CB-CG1 3.86Å; H590-V593 WeakPolarHBondContact O-CG1 3.42Å; H590-V593 WeakPolarHBondContact O-CG2 3.32Å; H590-V593 PolarHBondContact O-N 3.31Å; V593-Q597 HydrophobicContact CB-CB 4.47Å; V593-Q597 HydrophobicContact CG2-CB 4.28Å; V593-V598 HydrophobicContact CG2-CG1 3.46Å; V593-V598 VanDerWaalsContact CG2-CG1 3.46Å; V593-Y796 PolarHBondContact O-OH 3.08Å
594	P	95.2	Very high	97.3	Very high	67 Å²	67	37.6 Å²	37.6	44%	0.435	18%	0.184	S	C	.	.			trans	-55.5	139.3	172.4	-25.7	34.6	0	0	0	112.6	K596 Q597	P594-K596 PolarHBondContact O-N 3.23Å; P594-Q597 PolarHBondContact O-N 2.97Å
595	K	93.5	Very high	97.3	Very high	96 Å²	96	34 Å²	34	42%	0.417	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-50	-31.7	-179.4	-70.2	-172.3	178.2	-174	0	113.9	Q597 V598 L602 Y796	K595-Q597 PolarHBondContact O-N 2.82Å; K595-V598 VanDerWaalsContact O-CG2 3.31Å; K595-V598 WeakPolarHBondContact O-CG2 3.29Å; K595-V598 PolarHBondContact O-N 3.01Å; K595-L602 HydrophobicContact CB-CD1 4.37Å; K595-Y796 HydrophobicContact CD-CD1 4.38Å; K595-Y796 HydrophobicContact CD-CE1 4.32Å; K595-Y796 HydrophobicContact CG-CD1 4.18Å; K595-Y796 HydrophobicContact CG-CE1 3.65Å; K595-Y796 PolarHBondContact NZ-O 2.82Å
596	K	95.6	Very high	97.3	Very high	180 Å²	180	32 Å²	32	78%	0.783	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-64.2	-23	178.3	-65.7	-175.5	179.4	-178.1	0	114.1	P594 V598	P594-K596 PolarHBondContact O-N 3.23Å; K596-V598 VanDerWaalsContact C-N 3.34Å
597	Q	97.8	Very high	97.3	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.037	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-85.4	-8.5	179.2	-66.6	175.6	12.7	0	0	112.9	N129 E130 W132 N472 V593 P594 K595	N129-Q597 CarbonylContact C-O 3.42Å; N129-Q597 VanDerWaalsContact CA-O 3.23Å; N129-Q597 WeakPolarHBondContact CA-O 3.32Å; E130-Q597 HydrophobicContact CB-CB 4.2Å; E130-Q597 HydrophobicContact CB-CG 4.22Å; E130-Q597 PolarHBondContact N-O 2.86Å; W132-Q597 VanDerWaalsContact CE3-NE2 3.25Å; N472-Q597 PolarHBondContact ND2-OE1 3.1Å; N472-Q597 PolarHBondContact OD1-NE2 2.86Å; N472-Q597 PolarHBondContact OD1-OE1 3.42Å; V593-Q597 HydrophobicContact CB-CB 4.47Å; V593-Q597 HydrophobicContact CG2-CB 4.28Å; P594-Q597 PolarHBondContact O-N 2.97Å; K595-Q597 PolarHBondContact O-N 2.82Å
598	V	97.5	Very high	97.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-124.4	31.1	-172.4	-68.5	0	0	0	0	112.1	N129 F335 L589 V593 K595 K596 G600 Y601 L602	N129-V598 VanDerWaalsContact OD1-CA 3.25Å; N129-V598 WeakPolarHBondContact OD1-CA 3.42Å; F335-V598 HydrophobicContact CD2-CG1 4.07Å; F335-V598 HydrophobicContact CE1-CB 4.48Å; F335-V598 HydrophobicContact CE2-CB 4.34Å; F335-V598 HydrophobicContact CE2-CG1 3.73Å; F335-V598 HydrophobicContact CE2-CG2 4.3Å; F335-V598 HydrophobicContact CZ-CB 4.09Å; F335-V598 HydrophobicContact CZ-CG1 3.98Å; F335-V598 HydrophobicContact CZ-CG2 3.91Å; L589-V598 HydrophobicContact CD1-CG1 4.43Å; L589-V598 HydrophobicContact CD2-CG1 4.19Å; V593-V598 HydrophobicContact CG2-CG1 3.46Å; V593-V598 VanDerWaalsContact CG2-CG1 3.46Å; K595-V598 VanDerWaalsContact O-CG2 3.31Å; K595-V598 WeakPolarHBondContact O-CG2 3.29Å; K595-V598 PolarHBondContact O-N 3.01Å; K596-V598 VanDerWaalsContact C-N 3.34Å; V598-G600 VanDerWaalsContact C-N 3.28Å; V598-G600 PolarHBondContact O-N 2.97Å; V598-Y601 HydrophobicContact CG1-CD2 4.44Å; V598-Y601 WeakPolarHBondContact O-CB 3.38Å; V598-Y601 PolarHBondContact O-N 2.82Å; V598-Y601 VanDerWaalsContact O-N 3.14Å; V598-L602 HydrophobicContact CG2-CD1 4.46Å; V598-L602 HydrophobicContact CG2-CG 4.37Å; V598-L602 WeakPolarHBondContact O-CG 3.41Å; V598-L602 PolarHBondContact O-N 3.04Å
599	T	97.5	Very high	97.4	Very high	62 Å²	62	29.2 Å²	29.2	38%	0.38	15%	0.148	S	C	.	.	H	α-helix	trans	-60.7	-36.6	-178	57.7	0	0	0	0	112.7	K128 N129 L602 E603	K128-T599 WeakPolarHBondContact CB-OG1 3.29Å; K128-T599 PolarHBondContact O-OG1 3.25Å; N129-T599 PolarHBondContact OD1-N 2.69Å; T599-L602 PolarHBondContact O-N 3.31Å; T599-E603 WeakPolarHBondContact O-CB 3.32Å; T599-E603 PolarHBondContact O-N 3.04Å
600	G	98.2	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-42.2	174	0	0	0	0	0	112.5	L125 N129 V598 L604	L125-G600 VanDerWaalsContact O-CA 3.26Å; L125-G600 WeakPolarHBondContact O-CA 3.33Å; N129-G600 VanDerWaalsContact OD1-CA 3.23Å; N129-G600 WeakPolarHBondContact OD1-CA 3.42Å; N129-G600 PolarHBondContact OD1-N 3.39Å; V598-G600 VanDerWaalsContact C-N 3.28Å; V598-G600 PolarHBondContact O-N 2.97Å; G600-L604 WeakPolarHBondContact O-CB 3.38Å; G600-L604 PolarHBondContact O-N 3.27Å
601	Y	98	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-48.1	172.7	-96.6	-58.4	0	0	0	112.4	M126 N129 F335 V586 L589 V598 E603 L604 I605 A828 S829	M126-Y601 HydrophobicContact CE-CD1 3.89Å; M126-Y601 HydrophobicContact CE-CD2 4.1Å; M126-Y601 HydrophobicContact CE-CE1 3.78Å; M126-Y601 HydrophobicContact CE-CE2 4.01Å; M126-Y601 HydrophobicContact CE-CG 4.04Å; N129-Y601 WeakPolarHBondContact ND2-CD2 3.07Å; N129-Y601 PolarHBondContact OD1-N 3.44Å; F335-Y601 HydrophobicContact CB-CD2 4.12Å; F335-Y601 HydrophobicContact CB-CE2 3.51Å; F335-Y601 HydrophobicContact CD1-CD1 4.08Å; F335-Y601 AromaticContact CD1-CD2 3.55Å; F335-Y601 HydrophobicContact CD1-CD2 3.55Å; F335-Y601 HydrophobicContact CD1-CE1 4.32Å; F335-Y601 AromaticContact CD1-CE2 3.8Å; F335-Y601 HydrophobicContact CD1-CE2 3.8Å; F335-Y601 AromaticContact CD1-CG 3.7Å; F335-Y601 HydrophobicContact CD1-CG 3.7Å; F335-Y601 HydrophobicContact CE1-CD2 4.17Å; F335-Y601 HydrophobicContact CE1-CG 4.09Å; F335-Y601 AromaticContact CG-CD2 3.91Å; F335-Y601 HydrophobicContact CG-CD2 3.91Å; F335-Y601 AromaticContact CG-CE2 3.84Å; F335-Y601 HydrophobicContact CG-CE2 3.84Å; V586-Y601 VanDerWaalsContact C-OH 3.27Å; V586-Y601 VanDerWaalsContact CG1-OH 3.24Å; V586-Y601 WeakPolarHBondContact CG1-OH 3.41Å; V586-Y601 WeakPolarHBondContact O-CE2 3.41Å; V586-Y601 PolarHBondContact O-OH 2.96Å; L589-Y601 HydrophobicContact CD1-CD2 3.84Å; L589-Y601 HydrophobicContact CD1-CE2 3.59Å; V598-Y601 HydrophobicContact CG1-CD2 4.44Å; V598-Y601 WeakPolarHBondContact O-CB 3.38Å; V598-Y601 PolarHBondContact O-N 2.82Å; V598-Y601 VanDerWaalsContact O-N 3.14Å; Y601-E603 VanDerWaalsContact C-N 3.28Å; Y601-E603 PolarHBondContact O-N 3.33Å; Y601-L604 PolarHBondContact O-N 2.93Å; Y601-I605 WeakPolarHBondContact O-CB 3.43Å; Y601-I605 WeakPolarHBondContact O-CD1 3.44Å; Y601-I605 WeakPolarHBondContact O-CG1 3.48Å; Y601-I605 PolarHBondContact O-N 3.22Å; Y601-A828 HydrophobicContact CE1-CB 4.09Å; Y601-A828 WeakPolarHBondContact CE1-O 3.4Å; Y601-S829 WeakPolarHBondContact OH-CA 3.18Å
602	L	96.7	Very high	97.3	Very high	36 Å²	36	33.5 Å²	33.5	19%	0.188	17%	0.171	C	C	.	.	H	α-helix	trans	-62	-38	-179.1	-64.9	177.1	0	0	0	111.6	K595 V598 T599 A606 V801 Y825	K595-L602 HydrophobicContact CB-CD1 4.37Å; V598-L602 HydrophobicContact CG2-CD1 4.46Å; V598-L602 HydrophobicContact CG2-CG 4.37Å; V598-L602 WeakPolarHBondContact O-CG 3.41Å; V598-L602 PolarHBondContact O-N 3.04Å; T599-L602 PolarHBondContact O-N 3.31Å; L602-A606 WeakPolarHBondContact O-CB 3.32Å; L602-A606 PolarHBondContact O-N 3.45Å; L602-V801 HydrophobicContact CD2-CG2 4.13Å; L602-Y825 HydrophobicContact CD2-CE2 4.06Å; L602-Y825 WeakPolarHBondContact CD2-OH 3.46Å
603	E	97.6	Very high	97.4	Very high	74 Å²	74	36.6 Å²	36.6	35%	0.346	18%	0.184	S	C	.	.	H	α-helix	trans	-69	-44	174.8	-177.3	176.9	147.6	0	0	112.1	L125 K128 T599 Y601 I605 A606 Q607	L125-E603 HydrophobicContact CD1-CB 3.84Å; L125-E603 VanDerWaalsContact CD1-CD 3.49Å; L125-E603 HydrophobicContact CD1-CG 3.68Å; L125-E603 WeakPolarHBondContact CD1-OE1 3.27Å; K128-E603 IonicContact NZ-OE1 3.55Å; K128-E603 PolarHBondContact NZ-OE1 3.01Å; K128-E603 IonicContact NZ-OE2 2.75Å; K128-E603 PolarHBondContact NZ-OE2 3.34Å; T599-E603 WeakPolarHBondContact O-CB 3.32Å; T599-E603 PolarHBondContact O-N 3.04Å; Y601-E603 VanDerWaalsContact C-N 3.28Å; Y601-E603 PolarHBondContact O-N 3.33Å; E603-I605 PolarHBondContact O-N 3.02Å; E603-A606 PolarHBondContact O-N 3.13Å; E603-Q607 VanDerWaalsContact O-CG 3.29Å; E603-Q607 WeakPolarHBondContact O-CG 3.33Å; E603-Q607 PolarHBondContact O-N 3.49Å
604	L	98.1	Very high	97.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-44.9	174.9	-174.4	146.5	0	0	0	111.7	L122 L125 M126 G600 Y601 Q607 L608 L831 P832 W835	L122-L604 HydrophobicContact CD1-CD1 3.9Å; L125-L604 HydrophobicContact CD2-CB 3.87Å; L125-L604 HydrophobicContact CD2-CD1 4.02Å; L125-L604 HydrophobicContact CD2-CG 4.24Å; L125-L604 HydrophobicContact CG-CB 4.43Å; M126-L604 HydrophobicContact SD-CD1 3.72Å; G600-L604 WeakPolarHBondContact O-CB 3.38Å; G600-L604 PolarHBondContact O-N 3.27Å; Y601-L604 PolarHBondContact O-N 2.93Å; L604-Q607 PolarHBondContact O-N 3.44Å; L604-L608 WeakPolarHBondContact O-CB 3.39Å; L604-L608 PolarHBondContact O-N 3.4Å; L604-L831 HydrophobicContact CD2-CB 3.84Å; L604-P832 HydrophobicContact CD1-CB 4.27Å; L604-P832 HydrophobicContact CD1-CG 4.02Å; L604-W835 HydrophobicContact CD1-CG 4.38Å; L604-W835 HydrophobicContact CD2-CB 4.44Å; L604-W835 HydrophobicContact CG-CB 4.41Å; L604-W835 HydrophobicContact CG-CG 4.17Å
605	I	98	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-48.3	177.4	-72.1	163	0	0	0	109.9	Y601 E603 Q607 L608 E609 L623 V801 Y825 L831	Y601-I605 WeakPolarHBondContact O-CB 3.43Å; Y601-I605 WeakPolarHBondContact O-CD1 3.44Å; Y601-I605 WeakPolarHBondContact O-CG1 3.48Å; Y601-I605 PolarHBondContact O-N 3.22Å; E603-I605 PolarHBondContact O-N 3.02Å; I605-Q607 VanDerWaalsContact C-N 3.31Å; I605-Q607 PolarHBondContact O-N 3.08Å; I605-L608 PolarHBondContact O-N 3.17Å; I605-E609 HydrophobicContact CG2-CG 4.2Å; I605-E609 WeakPolarHBondContact CG2-OE1 3.42Å; I605-E609 WeakPolarHBondContact O-CB 3.34Å; I605-E609 VanDerWaalsContact O-CG 3.31Å; I605-E609 WeakPolarHBondContact O-CG 3.4Å; I605-E609 PolarHBondContact O-N 2.88Å; I605-L623 HydrophobicContact CB-CD1 4.29Å; I605-L623 HydrophobicContact CG1-CD1 4.2Å; I605-L623 HydrophobicContact CG2-CD1 3.82Å; I605-V801 HydrophobicContact CB-CG2 4.23Å; I605-V801 HydrophobicContact CG2-CB 4.14Å; I605-V801 HydrophobicContact CG2-CG2 3.46Å; I605-V801 VanDerWaalsContact CG2-CG2 3.46Å; I605-Y825 HydrophobicContact CD1-CD1 3.86Å; I605-Y825 HydrophobicContact CD1-CD2 3.86Å; I605-Y825 HydrophobicContact CD1-CE1 4.16Å; I605-Y825 HydrophobicContact CD1-CE2 4.15Å; I605-Y825 HydrophobicContact CD1-CG 3.68Å; I605-Y825 HydrophobicContact CG2-CD1 4.45Å; I605-Y825 HydrophobicContact CG2-CE1 4.36Å; I605-L831 HydrophobicContact CD1-CD1 4.34Å; I605-L831 HydrophobicContact CG1-CD1 3.79Å
606	A	97.3	Very high	97.8	Very high	25 Å²	25	30.1 Å²	30.1	21%	0.207	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-38.7	177.8	0	0	0	0	0	112.4	L602 E603 N610 V801	L602-A606 WeakPolarHBondContact O-CB 3.32Å; L602-A606 PolarHBondContact O-N 3.45Å; E603-A606 PolarHBondContact O-N 3.13Å; A606-N610 WeakPolarHBondContact O-CB 3.45Å; A606-N610 VanDerWaalsContact O-CG 3.32Å; A606-N610 PolarHBondContact O-N 2.8Å; A606-N610 VanDerWaalsContact O-N 3.13Å; A606-N610 PolarHBondContact O-ND2 2.85Å; A606-V801 HydrophobicContact CB-CG1 4.06Å
607	Q	97.7	Very high	97.9	Very high	47 Å²	47	21.9 Å²	21.9	22%	0.22	12%	0.116	C	C	.	.	H	α-helix	trans	-63.6	-48.6	174.6	-73.1	174	15.3	0	0	111.2	E603 L604 I605 N610 D611	E603-Q607 VanDerWaalsContact O-CG 3.29Å; E603-Q607 WeakPolarHBondContact O-CG 3.33Å; E603-Q607 PolarHBondContact O-N 3.49Å; L604-Q607 PolarHBondContact O-N 3.44Å; I605-Q607 VanDerWaalsContact C-N 3.31Å; I605-Q607 PolarHBondContact O-N 3.08Å; Q607-N610 PolarHBondContact O-N 2.91Å; Q607-D611 VanDerWaalsContact O-CG 3.24Å; Q607-D611 PolarHBondContact O-N 3.3Å
608	L	98	Very high	98	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.5	-40.6	-179.8	-175.3	58.8	0	0	0	112.4	L604 I605 N610 D611 I612 L623 L831 M838	L604-L608 WeakPolarHBondContact O-CB 3.39Å; L604-L608 PolarHBondContact O-N 3.4Å; I605-L608 PolarHBondContact O-N 3.17Å; L608-N610 VanDerWaalsContact C-N 3.32Å; L608-N610 PolarHBondContact O-N 2.8Å; L608-D611 PolarHBondContact O-N 3.21Å; L608-I612 HydrophobicContact CD1-CD1 3.94Å; L608-I612 HydrophobicContact CD1-CG1 4.22Å; L608-I612 HydrophobicContact CG-CD1 3.79Å; L608-I612 HydrophobicContact CG-CG1 4.5Å; L608-I612 WeakPolarHBondContact O-CB 3.5Å; L608-I612 WeakPolarHBondContact O-CD1 3.33Å; L608-I612 VanDerWaalsContact O-CG1 3.24Å; L608-I612 WeakPolarHBondContact O-CG1 3.4Å; L608-I612 PolarHBondContact O-N 3.16Å; L608-L623 HydrophobicContact CB-CD1 4.44Å; L608-L623 HydrophobicContact CD2-CD1 3.96Å; L608-L623 HydrophobicContact CG-CD1 4.34Å; L608-L831 HydrophobicContact CD2-CB 4.08Å; L608-L831 HydrophobicContact CD2-CD2 4.14Å; L608-M838 HydrophobicContact CD1-CE 3.95Å; L608-M838 HydrophobicContact CD1-SD 3.76Å
609	E	98.1	Very high	98	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-57	-45.5	172.5	-75.6	179.1	-175.8	0	0	111.2	I605 K613 V621 L623 C800 V801 S802	I605-E609 HydrophobicContact CG2-CG 4.2Å; I605-E609 WeakPolarHBondContact CG2-OE1 3.42Å; I605-E609 WeakPolarHBondContact O-CB 3.34Å; I605-E609 VanDerWaalsContact O-CG 3.31Å; I605-E609 WeakPolarHBondContact O-CG 3.4Å; I605-E609 PolarHBondContact O-N 2.88Å; E609-K613 WeakPolarHBondContact O-CB 3.33Å; E609-K613 PolarHBondContact O-N 2.91Å; E609-V621 HydrophobicContact CB-CB 4.2Å; E609-V621 VanDerWaalsContact CD-O 3.24Å; E609-V621 HydrophobicContact CG-CB 4.19Å; E609-V621 HydrophobicContact CG-CG1 4.43Å; E609-V621 WeakPolarHBondContact CG-O 3.27Å; E609-L623 HydrophobicContact CG-CD1 4.34Å; E609-L623 HydrophobicContact CG-CG 4.11Å; E609-C800 WeakPolarHBondContact OE1-CA 3.46Å; E609-V801 PolarHBondContact OE1-N 3.43Å; E609-V801 PolarHBondContact OE2-N 2.86Å; E609-V801 VanDerWaalsContact OE2-N 3.17Å; E609-S802 WeakPolarHBondContact OE2-CB 3.18Å; E609-S802 PolarHBondContact OE2-N 2.88Å; E609-S802 PolarHBondContact OE2-OG 2.73Å
610	N	97.7	Very high	98	Very high	82 Å²	82	23.7 Å²	23.7	44%	0.439	12%	0.119	S	C	.	.	H	α-helix	trans	-68	-40	178.8	-76.2	-46.1	0	0	0	112.9	A606 Q607 L608 K613 E614	A606-N610 WeakPolarHBondContact O-CB 3.45Å; A606-N610 VanDerWaalsContact O-CG 3.32Å; A606-N610 PolarHBondContact O-N 2.8Å; A606-N610 VanDerWaalsContact O-N 3.13Å; A606-N610 PolarHBondContact O-ND2 2.85Å; Q607-N610 PolarHBondContact O-N 2.91Å; L608-N610 VanDerWaalsContact C-N 3.32Å; L608-N610 PolarHBondContact O-N 2.8Å; N610-K613 WeakPolarHBondContact O-CB 3.4Å; N610-K613 PolarHBondContact O-N 2.99Å; N610-E614 PolarHBondContact O-N 3.02Å; N610-E614 VanDerWaalsContact O-N 3.09Å
611	D	98.2	Very high	98	Very high	11 Å²	11	23.7 Å²	23.7	6%	0.059	12%	0.119	C	C	.	.	H	α-helix	trans	-65	-45.6	177.1	-64	-39.5	0	0	0	110.8	L109 Q607 L608 K613 E614 I615 M838 R839	L109-D611 HydrophobicContact CD2-CB 3.91Å; Q607-D611 VanDerWaalsContact O-CG 3.24Å; Q607-D611 PolarHBondContact O-N 3.3Å; L608-D611 PolarHBondContact O-N 3.21Å; D611-K613 VanDerWaalsContact C-N 3.34Å; D611-K613 PolarHBondContact O-N 3.34Å; D611-E614 PolarHBondContact O-N 2.83Å; D611-I615 WeakPolarHBondContact O-CG1 3.45Å; D611-I615 PolarHBondContact O-N 3.23Å; D611-M838 HydrophobicContact CB-SD 3.56Å; D611-M838 VanDerWaalsContact CB-SD 3.56Å; D611-R839 VanDerWaalsContact CG-NH1 3.29Å; D611-R839 VanDerWaalsContact CG-NH2 3.29Å; D611-R839 IonicContact OD1-CZ 2.61Å; D611-R839 IonicContact OD1-NH1 2.61Å; D611-R839 PolarHBondContact OD1-NH1 3.07Å; D611-R839 IonicContact OD1-NH2 2.6Å; D611-R839 PolarHBondContact OD1-NH2 2.88Å; D611-R839 VanDerWaalsContact OD1-NH2 3.1Å; D611-R839 IonicContact OD2-CZ 2.67Å; D611-R839 IonicContact OD2-NH1 3.25Å; D611-R839 PolarHBondContact OD2-NH1 2.92Å; D611-R839 IonicContact OD2-NH2 2.65Å; D611-R839 PolarHBondContact OD2-NH2 2.76Å
612	I	98.5	Very high	98	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-42	176.8	-68.5	163.7	0	0	0	110.9	L608 E614 I615 T616 V621 L623 I760 L762 M838	L608-I612 HydrophobicContact CD1-CD1 3.94Å; L608-I612 HydrophobicContact CD1-CG1 4.22Å; L608-I612 HydrophobicContact CG-CD1 3.79Å; L608-I612 HydrophobicContact CG-CG1 4.5Å; L608-I612 WeakPolarHBondContact O-CB 3.5Å; L608-I612 WeakPolarHBondContact O-CD1 3.33Å; L608-I612 VanDerWaalsContact O-CG1 3.24Å; L608-I612 WeakPolarHBondContact O-CG1 3.4Å; L608-I612 PolarHBondContact O-N 3.16Å; I612-E614 VanDerWaalsContact C-N 3.3Å; I612-E614 PolarHBondContact O-N 2.92Å; I612-I615 PolarHBondContact O-N 3.39Å; I612-T616 HydrophobicContact CG2-CG2 4.05Å; I612-T616 WeakPolarHBondContact O-CB 3.4Å; I612-T616 WeakPolarHBondContact O-CG2 3.49Å; I612-T616 PolarHBondContact O-N 2.88Å; I612-T616 PolarHBondContact O-OG1 2.95Å; I612-V621 HydrophobicContact CB-CG1 4.26Å; I612-V621 HydrophobicContact CB-CG2 4.07Å; I612-V621 HydrophobicContact CD1-CG1 4.21Å; I612-V621 HydrophobicContact CG2-CB 4.47Å; I612-V621 HydrophobicContact CG2-CG1 3.92Å; I612-V621 HydrophobicContact CG2-CG2 3.7Å; I612-L623 HydrophobicContact CD1-CD2 3.87Å; I612-I760 HydrophobicContact CB-CD1 4.46Å; I612-I760 HydrophobicContact CD1-CD1 3.8Å; I612-I760 HydrophobicContact CG1-CD1 3.98Å; I612-I760 HydrophobicContact CG2-CD1 3.58Å; I612-L762 HydrophobicContact CD1-CD2 4.43Å; I612-M838 HydrophobicContact CG1-CE 3.8Å
613	K	98.1	Very high	98	Very high	76 Å²	76	22 Å²	22	33%	0.33	11%	0.11	S	C	.	.	H	α-helix	trans	-54.5	-47.2	175.5	179.2	-166.9	167.8	145.7	0	111.1	E609 N610 D611 T616 G617 Y618 D619 V621	E609-K613 WeakPolarHBondContact O-CB 3.33Å; E609-K613 PolarHBondContact O-N 2.91Å; N610-K613 WeakPolarHBondContact O-CB 3.4Å; N610-K613 PolarHBondContact O-N 2.99Å; D611-K613 VanDerWaalsContact C-N 3.34Å; D611-K613 PolarHBondContact O-N 3.34Å; K613-T616 PolarHBondContact O-N 2.68Å; K613-G617 WeakPolarHBondContact O-CA 3.5Å; K613-G617 PolarHBondContact O-N 2.83Å; K613-Y618 WeakPolarHBondContact CG-O 3.35Å; K613-Y618 PolarHBondContact O-N 2.84Å; K613-D619 WeakPolarHBondContact CD-O 3.17Å; K613-D619 WeakPolarHBondContact CE-O 3.43Å; K613-D619 PolarHBondContact NZ-O 3.28Å; K613-V621 HydrophobicContact CB-CG2 4.19Å
614	E	98.4	Very high	97.9	Very high	29 Å²	29	18.7 Å²	18.7	14%	0.136	10%	0.096	C	C	.	.	H	α-helix	trans	-65.5	-44.5	178.2	169.5	53.6	-164	0	0	112.5	R105 L107 K108 L109 N610 D611 I612 T616 R749	R105-E614 IonicContact CZ-OE1 3.84Å; R105-E614 IonicContact CZ-OE2 3.7Å; R105-E614 IonicContact NH1-OE1 2.79Å; R105-E614 PolarHBondContact NH1-OE1 2.95Å; R105-E614 IonicContact NH1-OE2 3.54Å; R105-E614 IonicContact NH2-OE1 3.84Å; R105-E614 PolarHBondContact NH2-OE1 2.87Å; R105-E614 IonicContact NH2-OE2 3.11Å; R105-E614 PolarHBondContact NH2-OE2 3.01Å; L107-E614 WeakPolarHBondContact CA-OE1 3.08Å; L107-E614 HydrophobicContact CB-CG 4.37Å; L107-E614 HydrophobicContact CD2-CG 4.28Å; K108-E614 HydrophobicContact CB-CG 4.31Å; K108-E614 PolarHBondContact N-OE1 2.98Å; L109-E614 HydrophobicContact CD2-CB 3.95Å; L109-E614 HydrophobicContact CD2-CG 3.82Å; L109-E614 HydrophobicContact CG-CG 4.22Å; N610-E614 PolarHBondContact O-N 3.02Å; N610-E614 VanDerWaalsContact O-N 3.09Å; D611-E614 PolarHBondContact O-N 2.83Å; I612-E614 VanDerWaalsContact C-N 3.3Å; I612-E614 PolarHBondContact O-N 2.92Å; E614-T616 VanDerWaalsContact C-N 3.31Å; E614-T616 PolarHBondContact O-N 2.77Å; E614-R749 WeakPolarHBondContact O-CD 3.39Å; E614-R749 PolarHBondContact O-NH1 3.48Å; E614-R749 IonicContact OE2-NH1 3.3Å
615	I	98.6	Very high	97.9	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-40	177.5	-72.2	166.5	0	0	0	111.7	L107 L109 D611 I612 L741 V745 R749 F766 M838 L846	L107-I615 HydrophobicContact CD1-CG1 3.98Å; L109-I615 HydrophobicContact CD1-CD1 4.21Å; L109-I615 HydrophobicContact CD1-CG1 4.07Å; D611-I615 WeakPolarHBondContact O-CG1 3.45Å; D611-I615 PolarHBondContact O-N 3.23Å; I612-I615 PolarHBondContact O-N 3.39Å; I615-L741 HydrophobicContact CG2-CD2 4.34Å; I615-V745 HydrophobicContact CD1-CG1 4.48Å; I615-V745 HydrophobicContact CG1-CG1 4.39Å; I615-V745 HydrophobicContact CG2-CB 4.44Å; I615-V745 HydrophobicContact CG2-CG1 4.02Å; I615-V745 HydrophobicContact CG2-CG2 3.99Å; I615-R749 WeakPolarHBondContact O-CG 3.32Å; I615-F766 HydrophobicContact CD1-CE1 4.05Å; I615-F766 HydrophobicContact CD1-CZ 4.45Å; I615-F766 HydrophobicContact CG2-CZ 4.36Å; I615-M838 HydrophobicContact CD1-CE 3.75Å; I615-M838 HydrophobicContact CD1-CG 4.45Å; I615-M838 HydrophobicContact CD1-SD 4.01Å; I615-L846 HydrophobicContact CD1-CD1 4.34Å
616	T	98.6	Very high	97.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-97.2	-18.9	-171.6	58	0	0	0	0	114	I612 K613 E614 Y618 L741 P750 A751 I760	I612-T616 HydrophobicContact CG2-CG2 4.05Å; I612-T616 WeakPolarHBondContact O-CB 3.4Å; I612-T616 WeakPolarHBondContact O-CG2 3.49Å; I612-T616 PolarHBondContact O-N 2.88Å; I612-T616 PolarHBondContact O-OG1 2.95Å; K613-T616 PolarHBondContact O-N 2.68Å; E614-T616 VanDerWaalsContact C-N 3.31Å; E614-T616 PolarHBondContact O-N 2.77Å; T616-Y618 VanDerWaalsContact C-N 3.26Å; T616-Y618 VanDerWaalsContact CB-CD2 3.48Å; T616-Y618 HydrophobicContact CG2-CD2 4.41Å; T616-Y618 PolarHBondContact O-N 3.33Å; T616-Y618 WeakPolarHBondContact OG1-CD2 3.43Å; T616-L741 HydrophobicContact CG2-CD2 4.24Å; T616-P750 WeakPolarHBondContact O-CD 3.08Å; T616-A751 WeakPolarHBondContact O-CB 3.46Å; T616-A751 PolarHBondContact O-N 3.38Å; T616-A751 VanDerWaalsContact O-N 3.09Å; T616-I760 HydrophobicContact CG2-CG2 4.23Å
617	G	98.3	Very high	97.9	Very high	7 Å²	7	17.7 Å²	17.7	7%	0.072	9%	0.087	C	C	.	.			trans	76.5	6.6	-176.3	0	0	0	0	0	114.9	K613 A751 K783	K613-G617 WeakPolarHBondContact O-CA 3.5Å; K613-G617 PolarHBondContact O-N 2.83Å; G617-A751 WeakPolarHBondContact O-CB 3.39Å; G617-K783 PolarHBondContact O-NZ 3Å
618	Y	98.6	Very high	97.8	Very high	3 Å²	3	15.7 Å²	15.7	1%	0.012	8%	0.078	C	C	.	.			trans	-73.5	175.8	174.9	-73.1	-62.7	0	0	0	111.5	K613 T616 P750 A751 S755 D756 V757 S758 C781 K783	K613-Y618 WeakPolarHBondContact CG-O 3.35Å; K613-Y618 PolarHBondContact O-N 2.84Å; T616-Y618 VanDerWaalsContact C-N 3.26Å; T616-Y618 VanDerWaalsContact CB-CD2 3.48Å; T616-Y618 HydrophobicContact CG2-CD2 4.41Å; T616-Y618 PolarHBondContact O-N 3.33Å; T616-Y618 WeakPolarHBondContact OG1-CD2 3.43Å; Y618-P750 HydrophobicContact CE2-CB 4.01Å; Y618-A751 HydrophobicContact CD1-CB 3.63Å; Y618-A751 HydrophobicContact CD2-CB 4.31Å; Y618-A751 HydrophobicContact CE1-CB 3.75Å; Y618-A751 HydrophobicContact CE2-CB 4.42Å; Y618-A751 HydrophobicContact CG-CB 3.92Å; Y618-S755 WeakPolarHBondContact CE1-O 3.34Å; Y618-S755 WeakPolarHBondContact OH-CB 3.36Å; Y618-S755 PolarHBondContact OH-OG 3.23Å; Y618-D756 VanDerWaalsContact CE1-C 3.49Å; Y618-D756 WeakPolarHBondContact CE1-O 3.3Å; Y618-V757 PolarHBondContact OH-O 3.31Å; Y618-S758 WeakPolarHBondContact OH-CB 3.44Å; Y618-S758 PolarHBondContact OH-N 3.22Å; Y618-S758 PolarHBondContact OH-OG 2.89Å; Y618-C781 HydrophobicContact CD2-CB 3.18Å; Y618-C781 HydrophobicContact CE2-CB 3.79Å; Y618-C781 HydrophobicContact CG-CB 3.76Å; Y618-K783 HydrophobicContact CD1-CD 4.3Å; Y618-K783 HydrophobicContact CD1-CG 4.11Å; Y618-K783 HydrophobicContact CE1-CG 4.39Å
619	D	97.7	Very high	97.8	Very high	47 Å²	47	15.9 Å²	15.9	25%	0.251	8%	0.08	S	C	.	.	S	Bend	trans	-99.8	-33.8	-178.6	-62.1	-45.2	0	0	0	112.2	K613 V782 K783 S784	K613-D619 WeakPolarHBondContact CD-O 3.17Å; K613-D619 WeakPolarHBondContact CE-O 3.43Å; K613-D619 PolarHBondContact NZ-O 3.28Å; D619-V782 PolarHBondContact N-O 3.44Å; D619-K783 WeakPolarHBondContact OD2-CA 3.32Å; D619-S784 VanDerWaalsContact CB-OG 3.3Å; D619-S784 WeakPolarHBondContact CB-OG 3.29Å; D619-S784 WeakPolarHBondContact OD2-CB 3.45Å; D619-S784 PolarHBondContact OD2-N 3.38Å; D619-S784 PolarHBondContact OD2-OG 2.9Å
620	Y	97.9	Very high	97.8	Very high	57 Å²	57	15.9 Å²	15.9	22%	0.224	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.6	-177.6	-60.2	-81.1	0	0	0	112	C781 V782 A787 L803	Y620-C781 CarbonylContact O-C 3.51Å; Y620-C781 WeakPolarHBondContact O-CA 3.49Å; Y620-V782 PolarHBondContact N-O 3.44Å; Y620-V782 VanDerWaalsContact N-O 3.14Å; Y620-V782 PolarHBondContact O-N 3.39Å; Y620-A787 HydrophobicContact CD2-CB 3.34Å; Y620-A787 HydrophobicContact CE2-CB 3.79Å; Y620-A787 HydrophobicContact CG-CB 3.9Å; Y620-L803 HydrophobicContact CD1-CD2 3.48Å; Y620-L803 VanDerWaalsContact CD1-CD2 3.48Å; Y620-L803 HydrophobicContact CD1-CG 3.58Å; Y620-L803 HydrophobicContact CD2-CD2 4.27Å; Y620-L803 HydrophobicContact CE1-CD2 3.35Å; Y620-L803 HydrophobicContact CE1-CG 3.89Å; Y620-L803 HydrophobicContact CE2-CD2 4.15Å; Y620-L803 HydrophobicContact CG-CD2 3.94Å; Y620-L803 HydrophobicContact CG-CG 4.13Å
621	V	97.9	Very high	97.9	Very high	1 Å²	1	12 Å²	12	1%	0.006	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130.2	-179.6	179.6	0	0	0	0	108.9	E609 I612 K613 L623 P779 V780 C781 C800	E609-V621 HydrophobicContact CB-CB 4.2Å; E609-V621 VanDerWaalsContact CD-O 3.24Å; E609-V621 HydrophobicContact CG-CB 4.19Å; E609-V621 HydrophobicContact CG-CG1 4.43Å; E609-V621 WeakPolarHBondContact CG-O 3.27Å; I612-V621 HydrophobicContact CB-CG1 4.26Å; I612-V621 HydrophobicContact CB-CG2 4.07Å; I612-V621 HydrophobicContact CD1-CG1 4.21Å; I612-V621 HydrophobicContact CG2-CB 4.47Å; I612-V621 HydrophobicContact CG2-CG1 3.92Å; I612-V621 HydrophobicContact CG2-CG2 3.7Å; K613-V621 HydrophobicContact CB-CG2 4.19Å; V621-L623 HydrophobicContact CG1-CD2 3.89Å; V621-P779 HydrophobicContact CG1-CB 4.1Å; V621-V780 WeakPolarHBondContact CA-O 3.45Å; V621-C781 HydrophobicContact CG2-CB 4.2Å; V621-C800 PolarHBondContact O-SG 2.92Å
622	C	97.1	Very high	97.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.8	174.4	169.8	0	0	0	0	109.8	A624 P625 P779 V780 L790 T799 C800	C622-A624 VanDerWaalsContact C-N 3.33Å; C622-A624 PolarHBondContact O-N 2.84Å; C622-P625 WeakPolarHBondContact O-CD 3.34Å; C622-P779 VanDerWaalsContact O-CA 3.31Å; C622-P779 WeakPolarHBondContact O-CA 3.37Å; C622-V780 HydrophobicContact CB-CG1 3.8Å; C622-V780 PolarHBondContact N-O 3.49Å; C622-V780 PolarHBondContact O-N 3.03Å; C622-L790 HydrophobicContact CB-CD1 4.11Å; C622-L790 HydrophobicContact CB-CD2 3.95Å; C622-L790 HydrophobicContact CB-CG 4.44Å; C622-T799 PolarHBondContact SG-OG1 2.97Å; C622-C800 HydrophobicContact CB-CB 4.27Å
623	L	97.4	Very high	97.8	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.057	C	C	.	.			trans	-82.3	-5.8	-176.7	-55.9	-176.6	0	0	0	114.2	I605 L608 E609 I612 V621 P625 P779 L831	I605-L623 HydrophobicContact CB-CD1 4.29Å; I605-L623 HydrophobicContact CG1-CD1 4.2Å; I605-L623 HydrophobicContact CG2-CD1 3.82Å; L608-L623 HydrophobicContact CB-CD1 4.44Å; L608-L623 HydrophobicContact CD2-CD1 3.96Å; L608-L623 HydrophobicContact CG-CD1 4.34Å; E609-L623 HydrophobicContact CG-CD1 4.34Å; E609-L623 HydrophobicContact CG-CG 4.11Å; I612-L623 HydrophobicContact CD1-CD2 3.87Å; V621-L623 HydrophobicContact CG1-CD2 3.89Å; L623-P625 VanDerWaalsContact C-CD 3.47Å; L623-P779 HydrophobicContact CD2-CB 3.74Å; L623-P779 HydrophobicContact CD2-CG 3.57Å; L623-L831 HydrophobicContact CB-CD1 4.49Å; L623-L831 HydrophobicContact CD1-CD1 3.76Å; L623-L831 HydrophobicContact CD1-CD2 4.13Å
624	A	95.6	Very high	97.8	Very high	4 Å²	4	8 Å²	8	3%	0.033	4%	0.041	C	C	.	.			trans	-55.8	-41.7	-173.8	0	0	0	0	0	116.2	C622 N626 T799 C821 P824 G826	C622-A624 VanDerWaalsContact C-N 3.33Å; C622-A624 PolarHBondContact O-N 2.84Å; A624-N626 PolarHBondContact O-N 3.37Å; A624-T799 HydrophobicContact CB-CG2 4.41Å; A624-T799 WeakPolarHBondContact CB-OG1 3.46Å; A624-C821 PolarHBondContact O-SG 3.34Å; A624-C821 VanDerWaalsContact O-SG 3.33Å; A624-P824 WeakPolarHBondContact CB-O 3.33Å; A624-G826 WeakPolarHBondContact O-CA 3.2Å; A624-G826 PolarHBondContact O-N 2.95Å
625	P	97.9	Very high	97.8	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.035	C	C	.	.			trans	-65.4	124.7	-176	-16.1	28.6	0	0	0	112.4	C622 L623 S627 Q630 A634 G778 V780 I820	C622-P625 WeakPolarHBondContact O-CD 3.34Å; L623-P625 VanDerWaalsContact C-CD 3.47Å; P625-S627 PolarHBondContact O-N 3.38Å; P625-Q630 HydrophobicContact CB-CB 3.88Å; P625-A634 HydrophobicContact CG-CB 3.9Å; P625-G778 WeakPolarHBondContact CB-O 3.31Å; P625-G778 CarbonylContact O-C 3.53Å; P625-G778 PolarHBondContact O-N 3.31Å; P625-V780 HydrophobicContact CG-CG1 4.13Å; P625-I820 HydrophobicContact CB-CG2 4.3Å
626	N	97.5	Very high	97.7	Very high	3 Å²	3	6.6 Å²	6.6	2%	0.016	4%	0.035	C	C	.	.	S	Bend	trans	-92	21.4	-173.2	58.1	0.4	0	0	0	114.7	L199 D200 A624 G776 C821	L199-N626 WeakPolarHBondContact CD1-OD1 3.42Å; D200-N626 PolarHBondContact OD2-ND2 3.09Å; A624-N626 PolarHBondContact O-N 3.37Å; N626-G776 CarbonylContact C-O 3.45Å; N626-G776 CarbonylContact O-C 3.52Å; N626-C821 PolarHBondContact OD1-SG 2.98Å
627	S	98.1	Very high	97.6	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.007	4%	0.038	C	C	.	.	S	Bend	trans	-167.7	162.8	167.3	65.5	0	0	0	0	110	L199 P625 A629 Q630 G631 G778	L199-S627 WeakPolarHBondContact CD1-OG 3.43Å; P625-S627 PolarHBondContact O-N 3.38Å; S627-A629 VanDerWaalsContact C-N 3.32Å; S627-A629 PolarHBondContact O-N 3.5Å; S627-Q630 PolarHBondContact O-N 2.67Å; S627-Q630 VanDerWaalsContact O-N 3.15Å; S627-Q630 WeakPolarHBondContact OG-CG 3.33Å; S627-Q630 PolarHBondContact OG-N 3.24Å; S627-G631 PolarHBondContact O-N 2.82Å; S627-G778 WeakPolarHBondContact O-CA 3.31Å
628	G	96.8	Very high	97.4	Very high	4 Å²	4	7 Å²	7	4%	0.041	4%	0.035	C	C	.	.	H	α-helix	trans	-57	-44.5	176.3	0	0	0	0	0	112.7	Q630 G631 E632 H759	G628-Q630 VanDerWaalsContact C-N 3.31Å; G628-Q630 PolarHBondContact O-N 3.06Å; G628-G631 CarbonylContact O-C 3.5Å; G628-G631 WeakPolarHBondContact O-CA 3.48Å; G628-G631 PolarHBondContact O-N 3.3Å; G628-E632 PolarHBondContact O-N 2.91Å; G628-H759 VanDerWaalsContact CA-CD2 3.4Å; G628-H759 WeakPolarHBondContact CA-CD2 3.28Å; G628-H759 PolarHBondContact O-CD2 3.44Å
629	A	97.8	Very high	97.4	Very high	5 Å²	5	6.9 Å²	6.9	4%	0.041	3%	0.034	C	C	.	.	H	α-helix	trans	-61.3	-35.5	176.5	0	0	0	0	0	113.3	N389 S627 G631 E632 Y633 T663 S667	N389-A629 HydrophobicContact CB-CB 4.35Å; N389-A629 PolarHBondContact ND2-O 2.72Å; N389-A629 VanDerWaalsContact O-CB 3.22Å; N389-A629 WeakPolarHBondContact O-CB 3.4Å; S627-A629 VanDerWaalsContact C-N 3.32Å; S627-A629 PolarHBondContact O-N 3.5Å; A629-G631 VanDerWaalsContact C-N 3.35Å; A629-E632 PolarHBondContact O-N 3.22Å; A629-Y633 PolarHBondContact O-N 3.13Å; A629-T663 HydrophobicContact CB-CG2 4.06Å; A629-S667 PolarHBondContact O-OG 3.13Å
630	Q	98.1	Very high	97.3	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	3%	0.03	C	C	.	.	H	α-helix	trans	-71.2	-31.1	172.4	-74.4	-79.4	95.5	0	0	112.2	L199 P625 S627 G628 A634 I820	L199-Q630 HydrophobicContact CD1-CG 3.37Å; P625-Q630 HydrophobicContact CB-CB 3.88Å; S627-Q630 PolarHBondContact O-N 2.67Å; S627-Q630 VanDerWaalsContact O-N 3.15Å; S627-Q630 WeakPolarHBondContact OG-CG 3.33Å; S627-Q630 PolarHBondContact OG-N 3.24Å; G628-Q630 VanDerWaalsContact C-N 3.31Å; G628-Q630 PolarHBondContact O-N 3.06Å; Q630-A634 VanDerWaalsContact O-CB 3.22Å; Q630-A634 WeakPolarHBondContact O-CB 3.46Å; Q630-A634 PolarHBondContact O-N 3.4Å; Q630-I820 HydrophobicContact CB-CG2 4.09Å; Q630-I820 PolarHBondContact NE2-O 2.89Å
631	G	98	Very high	97	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-65.9	-41.3	171.1	0	0	0	0	0	112.6	S627 G628 A629 A634 G635 G778	S627-G631 PolarHBondContact O-N 2.82Å; G628-G631 CarbonylContact O-C 3.5Å; G628-G631 WeakPolarHBondContact O-CA 3.48Å; G628-G631 PolarHBondContact O-N 3.3Å; A629-G631 VanDerWaalsContact C-N 3.35Å; G631-A634 PolarHBondContact O-N 3.14Å; G631-G635 PolarHBondContact O-N 2.98Å; G631-G778 VanDerWaalsContact CA-O 3.3Å; G631-G778 WeakPolarHBondContact CA-O 3.32Å
632	E	98.5	Very high	96.9	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.009	3%	0.032	C	C	.	.	H	α-helix	trans	-58.7	-53.2	170.9	-64.8	167	-156.3	0	0	111.7	G628 A629 A634 G635 L636 T663 N664 S667 M706 F735 H759	G628-E632 PolarHBondContact O-N 2.91Å; A629-E632 PolarHBondContact O-N 3.22Å; E632-A634 VanDerWaalsContact C-N 3.3Å; E632-A634 PolarHBondContact O-N 2.87Å; E632-G635 PolarHBondContact O-N 3.11Å; E632-L636 WeakPolarHBondContact O-CG 3.31Å; E632-L636 PolarHBondContact O-N 3.33Å; E632-T663 VanDerWaalsContact OE1-CB 3.29Å; E632-T663 WeakPolarHBondContact OE1-CB 3.38Å; E632-T663 PolarHBondContact OE1-OG1 2.9Å; E632-T663 VanDerWaalsContact OE2-CB 3.27Å; E632-T663 WeakPolarHBondContact OE2-CB 3.37Å; E632-T663 VanDerWaalsContact OE2-O 3.13Å; E632-T663 PolarHBondContact OE2-OG1 3.33Å; E632-N664 WeakPolarHBondContact OE2-CA 3.24Å; E632-N664 PolarHBondContact OE2-N 2.97Å; E632-S667 WeakPolarHBondContact CB-OG 3.4Å; E632-S667 VanDerWaalsContact OE2-CB 3.29Å; E632-S667 WeakPolarHBondContact OE2-CB 3.37Å; E632-S667 PolarHBondContact OE2-OG 3.31Å; E632-M706 HydrophobicContact CB-CE 4.17Å; E632-M706 HydrophobicContact CG-CE 4.21Å; E632-F735 HydrophobicContact CB-CZ 4.01Å; E632-F735 HydrophobicContact CG-CE1 4.09Å; E632-F735 HydrophobicContact CG-CZ 3.84Å; E632-H759 VanDerWaalsContact CG-ND1 3.32Å; E632-H759 WeakPolarHBondContact CG-ND1 3.31Å; E632-H759 IonicContact OE1-CE1 3.62Å; E632-H759 PolarHBondContact OE1-CE1 3.41Å
633	Y	97.9	Very high	96.9	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.008	3%	0.033	C	C	.	.	H	α-helix	trans	-57.9	-42.8	177.3	170	-124.8	0	0	0	111.6	R238 N241 A629 K637 M670 A671 I820	R238-Y633 PolarHBondContact NE-OH 3.45Å; N241-Y633 PolarHBondContact ND2-OH 3.38Å; A629-Y633 PolarHBondContact O-N 3.13Å; Y633-K637 HydrophobicContact CD2-CG 4.06Å; Y633-K637 HydrophobicContact CE2-CD 4.22Å; Y633-K637 HydrophobicContact CE2-CG 3.7Å; Y633-K637 VanDerWaalsContact O-CB 3.29Å; Y633-K637 WeakPolarHBondContact O-CB 3.25Å; Y633-K637 VanDerWaalsContact O-CG 3.24Å; Y633-K637 WeakPolarHBondContact O-CG 3.45Å; Y633-K637 PolarHBondContact O-N 3.11Å; Y633-M670 HydrophobicContact CD1-SD 4.42Å; Y633-M670 HydrophobicContact CD2-CB 4.41Å; Y633-M670 HydrophobicContact CD2-CG 3.95Å; Y633-M670 HydrophobicContact CD2-SD 4.27Å; Y633-M670 HydrophobicContact CE2-CG 4.05Å; Y633-M670 HydrophobicContact CG-CG 4.44Å; Y633-M670 HydrophobicContact CG-SD 4.16Å; Y633-A671 HydrophobicContact CD2-CB 4.15Å; Y633-A671 HydrophobicContact CE2-CB 4.45Å; Y633-I820 HydrophobicContact CD1-CD1 3.38Å; Y633-I820 HydrophobicContact CD1-CG2 4.49Å; Y633-I820 HydrophobicContact CE1-CD1 3.13Å; Y633-I820 HydrophobicContact CG-CD1 4.33Å
634	A	97.2	Very high	96.6	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.1	-42.3	176.4	0	0	0	0	0	112.9	P625 Q630 G631 E632 K637 A638 V780 P791 Y818 I820	P625-A634 HydrophobicContact CG-CB 3.9Å; Q630-A634 VanDerWaalsContact O-CB 3.22Å; Q630-A634 WeakPolarHBondContact O-CB 3.46Å; Q630-A634 PolarHBondContact O-N 3.4Å; G631-A634 PolarHBondContact O-N 3.14Å; E632-A634 VanDerWaalsContact C-N 3.3Å; E632-A634 PolarHBondContact O-N 2.87Å; A634-K637 WeakPolarHBondContact O-CB 3.27Å; A634-K637 PolarHBondContact O-N 3.28Å; A634-A638 PolarHBondContact O-N 3.19Å; A634-V780 HydrophobicContact CB-CB 4.38Å; A634-V780 HydrophobicContact CB-CG1 4.13Å; A634-P791 HydrophobicContact CB-CG 3.96Å; A634-Y818 PolarHBondContact O-OH 2.96Å; A634-Y818 VanDerWaalsContact O-OH 3.12Å; A634-I820 HydrophobicContact CB-CD1 4.25Å; A634-I820 HydrophobicContact CB-CG1 4Å
635	G	97.7	Very high	96.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-70.2	-41.6	179.6	0	0	0	0	0	113.2	G631 E632 K637 A638 I639	G631-G635 PolarHBondContact O-N 2.98Å; E632-G635 PolarHBondContact O-N 3.11Å; G635-K637 PolarHBondContact O-N 3.32Å; G635-A638 WeakPolarHBondContact O-CB 3.43Å; G635-A638 PolarHBondContact O-N 3.45Å; G635-A638 VanDerWaalsContact O-N 3.16Å; G635-I639 PolarHBondContact O-N 3.17Å
636	L	97.9	Very high	96.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-30.5	172.5	-64.8	179.4	0	0	0	111.8	E632 I639 K640 A668 A671 M673 M706 F735	E632-L636 WeakPolarHBondContact O-CG 3.31Å; E632-L636 PolarHBondContact O-N 3.33Å; L636-I639 HydrophobicContact CD2-CD1 4.27Å; L636-I639 PolarHBondContact O-N 2.94Å; L636-K640 WeakPolarHBondContact O-CB 3.45Å; L636-K640 PolarHBondContact O-N 3.2Å; L636-A668 VanDerWaalsContact CD1-CA 3.45Å; L636-A668 HydrophobicContact CD1-CB 3.91Å; L636-A671 HydrophobicContact CB-CB 3.82Å; L636-A671 HydrophobicContact CD1-CB 4.34Å; L636-M673 HydrophobicContact CB-CE 4.07Å; L636-M673 HydrophobicContact CB-SD 4.34Å; L636-M673 HydrophobicContact CD1-SD 4.47Å; L636-M673 HydrophobicContact CD2-CE 4.33Å; L636-M673 HydrophobicContact CD2-SD 4.09Å; L636-M673 WeakPolarHBondContact O-CE 3.24Å; L636-M706 HydrophobicContact CD1-CE 3.99Å; L636-M706 HydrophobicContact CD1-SD 3.69Å; L636-M706 HydrophobicContact CD2-CE 4.43Å; L636-M706 HydrophobicContact CD2-CG 4.05Å; L636-M706 HydrophobicContact CD2-SD 4.02Å; L636-M706 HydrophobicContact CG-CE 4.37Å; L636-M706 HydrophobicContact CG-SD 4.32Å; L636-F735 HydrophobicContact CD2-CB 4.36Å; L636-F735 HydrophobicContact CD2-CD2 4.23Å; L636-F735 HydrophobicContact CD2-CG 4.4Å; L636-F735 HydrophobicContact CG-CD2 4.46Å
637	K	95.5	Very high	96.2	Very high	16 Å²	16	22.7 Å²	22.7	7%	0.07	11%	0.114	C	C	.	.	H	α-helix	trans	-68.9	-39	172.1	-82.9	-62.4	-62.4	161.4	0	113.6	N241 Y633 A634 G635 K640 G641 Y818	N241-K637 HydrophobicContact CB-CD 4.47Å; N241-K637 VanDerWaalsContact CG-CD 3.45Å; N241-K637 VanDerWaalsContact ND2-CD 3.27Å; N241-K637 WeakPolarHBondContact ND2-CD 3.29Å; N241-K637 WeakPolarHBondContact ND2-CE 3.48Å; N241-K637 WeakPolarHBondContact OD1-CD 3.23Å; N241-K637 WeakPolarHBondContact OD1-CE 3.41Å; N241-K637 PolarHBondContact OD1-NZ 3.16Å; Y633-K637 HydrophobicContact CD2-CG 4.06Å; Y633-K637 HydrophobicContact CE2-CD 4.22Å; Y633-K637 HydrophobicContact CE2-CG 3.7Å; Y633-K637 VanDerWaalsContact O-CB 3.29Å; Y633-K637 WeakPolarHBondContact O-CB 3.25Å; Y633-K637 VanDerWaalsContact O-CG 3.24Å; Y633-K637 WeakPolarHBondContact O-CG 3.45Å; Y633-K637 PolarHBondContact O-N 3.11Å; A634-K637 WeakPolarHBondContact O-CB 3.27Å; A634-K637 PolarHBondContact O-N 3.28Å; G635-K637 PolarHBondContact O-N 3.32Å; K637-K640 PolarHBondContact O-N 2.86Å; K637-G641 PolarHBondContact O-N 3.13Å; K637-Y818 HydrophobicContact CB-CD2 4.38Å; K637-Y818 HydrophobicContact CB-CE1 4.46Å; K637-Y818 HydrophobicContact CB-CE2 3.78Å; K637-Y818 HydrophobicContact CG-CE2 4.37Å
638	A	95.2	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-44.4	172.2	0	0	0	0	0	111.1	A634 G635 K640 G641 Y642 L786 F789	A634-A638 PolarHBondContact O-N 3.19Å; G635-A638 WeakPolarHBondContact O-CB 3.43Å; G635-A638 PolarHBondContact O-N 3.45Å; G635-A638 VanDerWaalsContact O-N 3.16Å; A638-K640 PolarHBondContact O-N 3.43Å; A638-G641 PolarHBondContact O-N 3.42Å; A638-Y642 WeakPolarHBondContact O-CB 3.46Å; A638-Y642 PolarHBondContact O-N 2.92Å; A638-L786 HydrophobicContact CB-CB 4.42Å; A638-F789 WeakPolarHBondContact CA-O 3.38Å; A638-F789 HydrophobicContact CB-CB 4.14Å; A638-F789 WeakPolarHBondContact CB-O 3.42Å
639	I	97.4	Very high	95.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.7	-49.9	173.6	-69.4	168.5	0	0	0	110.9	G635 L636 G641 Y642 L643 M673 A704 Q733 F735 V757 L786	G635-I639 PolarHBondContact O-N 3.17Å; L636-I639 HydrophobicContact CD2-CD1 4.27Å; L636-I639 PolarHBondContact O-N 2.94Å; I639-G641 VanDerWaalsContact C-N 3.35Å; I639-G641 PolarHBondContact O-N 2.85Å; I639-Y642 WeakPolarHBondContact O-CB 3.4Å; I639-Y642 PolarHBondContact O-N 3.25Å; I639-L643 HydrophobicContact CG2-CD1 3.82Å; I639-L643 HydrophobicContact CG2-CG 4.33Å; I639-L643 WeakPolarHBondContact O-CG 3.1Å; I639-L643 PolarHBondContact O-N 2.96Å; I639-M673 HydrophobicContact CG2-CE 4.23Å; I639-A704 HydrophobicContact CD1-CB 4.02Å; I639-A704 HydrophobicContact CG2-CB 4.39Å; I639-Q733 HydrophobicContact CB-CB 4.46Å; I639-Q733 HydrophobicContact CD1-CB 3.79Å; I639-Q733 HydrophobicContact CG1-CB 3.77Å; I639-Q733 HydrophobicContact CG1-CG 4.24Å; I639-Q733 HydrophobicContact CG2-CB 3.89Å; I639-Q733 HydrophobicContact CG2-CG 3.96Å; I639-F735 HydrophobicContact CD1-CB 4.31Å; I639-V757 HydrophobicContact CD1-CG1 3.61Å; I639-V757 HydrophobicContact CG1-CG1 4Å; I639-L786 HydrophobicContact CG1-CD1 4.14Å; I639-L786 HydrophobicContact CG1-CD2 4.49Å
640	K	94.9	Very high	95.8	Very high	40 Å²	40	38.5 Å²	38.5	17%	0.174	18%	0.183	C	C	.	.	H	α-helix	trans	-59.6	-45	179.5	-172.8	-178.8	177.5	75.6	0	111.6	L636 K637 A638 Y642 L643 D644 M673	L636-K640 WeakPolarHBondContact O-CB 3.45Å; L636-K640 PolarHBondContact O-N 3.2Å; K637-K640 PolarHBondContact O-N 2.86Å; A638-K640 PolarHBondContact O-N 3.43Å; K640-Y642 VanDerWaalsContact C-N 3.34Å; K640-Y642 PolarHBondContact O-N 3.45Å; K640-L643 PolarHBondContact O-N 3.04Å; K640-D644 WeakPolarHBondContact O-CB 3.47Å; K640-D644 VanDerWaalsContact O-CG 3.26Å; K640-D644 PolarHBondContact O-N 3.23Å; K640-M673 HydrophobicContact CB-CE 4.34Å
641	G	93.2	Very high	95.7	Very high	8 Å²	8	40.1 Å²	40.1	8%	0.082	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-41.8	176.8	0	0	0	0	0	112.8	K637 A638 I639 D644 R645 F789	K637-G641 PolarHBondContact O-N 3.13Å; A638-G641 PolarHBondContact O-N 3.42Å; I639-G641 VanDerWaalsContact C-N 3.35Å; I639-G641 PolarHBondContact O-N 2.85Å; G641-D644 PolarHBondContact O-N 3.43Å; G641-R645 WeakPolarHBondContact O-CB 3.41Å; G641-R645 PolarHBondContact O-N 3.16Å; G641-F789 VanDerWaalsContact C-CD1 3.43Å; G641-F789 VanDerWaalsContact C-CE1 3.46Å; G641-F789 VanDerWaalsContact O-CE1 3.26Å; G641-F789 WeakPolarHBondContact O-CE1 3.4Å
642	Y	95.5	Very high	95.7	Very high	46 Å²	46	42 Å²	42	18%	0.18	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-47.2	174.6	168.6	-102	0	0	0	112.8	A638 I639 K640 R645 K646 Q733 H785 L786 F789	A638-Y642 WeakPolarHBondContact O-CB 3.46Å; A638-Y642 PolarHBondContact O-N 2.92Å; I639-Y642 WeakPolarHBondContact O-CB 3.4Å; I639-Y642 PolarHBondContact O-N 3.25Å; K640-Y642 VanDerWaalsContact C-N 3.34Å; K640-Y642 PolarHBondContact O-N 3.45Å; Y642-R645 PolarHBondContact O-N 3.11Å; Y642-K646 HydrophobicContact CD1-CD 4.43Å; Y642-K646 HydrophobicContact CD2-CD 4.46Å; Y642-K646 HydrophobicContact CE1-CD 3.75Å; Y642-K646 HydrophobicContact CE2-CD 3.8Å; Y642-K646 PolarHBondContact O-N 3.43Å; Y642-K646 WeakPolarHBondContact OH-CD 3.21Å; Y642-K646 PolarHBondContact OH-NZ 3.36Å; Y642-K646 VanDerWaalsContact OH-NZ 3.15Å; Y642-Q733 HydrophobicContact CD1-CG 4.3Å; Y642-Q733 HydrophobicContact CE1-CG 4.41Å; Y642-H785 AromaticContact CD2-CD2 3.98Å; Y642-H785 HydrophobicContact CE2-CB 4.15Å; Y642-H785 AromaticContact CE2-CD2 3.71Å; Y642-H785 AromaticContact CZ-CD2 3.85Å; Y642-L786 VanDerWaalsContact CB-CD2 3.46Å; Y642-L786 HydrophobicContact CD1-CD2 4.09Å; Y642-L786 HydrophobicContact CD2-CD2 4.3Å; Y642-L786 HydrophobicContact CG-CD2 3.7Å; Y642-F789 VanDerWaalsContact CA-CE2 3.44Å; Y642-F789 HydrophobicContact CD2-CE2 4.05Å; Y642-F789 HydrophobicContact CG-CE2 4.38Å
643	L	95.9	Very high	95.7	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-43.8	178	-65.1	173.9	0	0	0	111.4	I639 K640 R645 K646 G647 E648 R651 A703	I639-L643 HydrophobicContact CG2-CD1 3.82Å; I639-L643 HydrophobicContact CG2-CG 4.33Å; I639-L643 WeakPolarHBondContact O-CG 3.1Å; I639-L643 PolarHBondContact O-N 2.96Å; K640-L643 PolarHBondContact O-N 3.04Å; L643-R645 VanDerWaalsContact C-N 3.32Å; L643-R645 PolarHBondContact O-N 3.11Å; L643-K646 CarbonylContact O-C 3.56Å; L643-K646 PolarHBondContact O-N 2.79Å; L643-K646 VanDerWaalsContact O-N 3.08Å; L643-G647 PolarHBondContact O-N 2.84Å; L643-E648 HydrophobicContact CB-CB 4.26Å; L643-E648 HydrophobicContact CD2-CB 4.43Å; L643-E648 WeakPolarHBondContact O-CB 3.29Å; L643-E648 PolarHBondContact O-N 2.87Å; L643-R651 HydrophobicContact CD1-CB 3.93Å; L643-A703 HydrophobicContact CD1-CB 3.78Å
644	D	92.7	Very high	95.7	Very high	41 Å²	41	42.4 Å²	42.4	22%	0.219	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-41.4	176.1	-75.3	-25.9	0	0	0	111.3	K640 G641 K646 G647 H649	K640-D644 WeakPolarHBondContact O-CB 3.47Å; K640-D644 VanDerWaalsContact O-CG 3.26Å; K640-D644 PolarHBondContact O-N 3.23Å; G641-D644 PolarHBondContact O-N 3.43Å; D644-K646 PolarHBondContact O-N 3.31Å; D644-G647 PolarHBondContact O-N 3.35Å; D644-H649 PolarHBondContact O-CE1 3.43Å; D644-H649 IonicContact OD1-CE1 3.56Å; D644-H649 IonicContact OD1-CG 3.61Å; D644-H649 IonicContact OD1-ND1 3.96Å; D644-H649 PolarHBondContact OD1-ND1 2.79Å
645	R	93.2	Very high	95.8	Very high	143 Å²	143	42.4 Å²	42.4	54%	0.54	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-28.9	176.1	179.9	60.3	71.3	168.9	10.1	112.8	G641 Y642 L643 G647 F789 D816	G641-R645 WeakPolarHBondContact O-CB 3.41Å; G641-R645 PolarHBondContact O-N 3.16Å; Y642-R645 PolarHBondContact O-N 3.11Å; L643-R645 VanDerWaalsContact C-N 3.32Å; L643-R645 PolarHBondContact O-N 3.11Å; R645-G647 VanDerWaalsContact C-N 3.31Å; R645-F789 HydrophobicContact CB-CE1 3.78Å; R645-F789 HydrophobicContact CB-CZ 3.61Å; R645-F789 HydrophobicContact CG-CE1 4.3Å; R645-F789 HydrophobicContact CG-CZ 3.91Å; R645-D816 IonicContact CZ-OD2 3.83Å; R645-D816 VanDerWaalsContact CZ-OD2 3.28Å; R645-D816 IonicContact NE-OD2 3.4Å; R645-D816 PolarHBondContact NE-OD2 2.89Å; R645-D816 IonicContact NH2-OD2 2.65Å; R645-D816 PolarHBondContact NH2-OD2 3.47Å
646	K	93.7	Very high	95.8	Very high	116 Å²	116	42.4 Å²	42.4	50%	0.504	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.1	173.9	-70.3	177.9	66.2	-177.1	0	113.8	Y642 L643 D644 E648	Y642-K646 HydrophobicContact CD1-CD 4.43Å; Y642-K646 HydrophobicContact CD2-CD 4.46Å; Y642-K646 HydrophobicContact CE1-CD 3.75Å; Y642-K646 HydrophobicContact CE2-CD 3.8Å; Y642-K646 PolarHBondContact O-N 3.43Å; Y642-K646 WeakPolarHBondContact OH-CD 3.21Å; Y642-K646 PolarHBondContact OH-NZ 3.36Å; Y642-K646 VanDerWaalsContact OH-NZ 3.15Å; L643-K646 CarbonylContact O-C 3.56Å; L643-K646 PolarHBondContact O-N 2.79Å; L643-K646 VanDerWaalsContact O-N 3.08Å; D644-K646 PolarHBondContact O-N 3.31Å; K646-E648 VanDerWaalsContact C-N 3.28Å; K646-E648 HydrophobicContact CB-CG 4.03Å
647	G	95	Very high	95.7	Very high	48 Å²	48	42.8 Å²	42.8	50%	0.495	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	10	-174.4	0	0	0	0	0	114.1	L643 D644 R645 H649	L643-G647 PolarHBondContact O-N 2.84Å; D644-G647 PolarHBondContact O-N 3.35Å; R645-G647 VanDerWaalsContact C-N 3.31Å; G647-H649 PolarHBondContact O-N 2.5Å; G647-H649 VanDerWaalsContact O-N 3.11Å
648	E	95.5	Very high	95.6	Very high	70 Å²	70	45.1 Å²	45.1	33%	0.327	22%	0.221	S	C	.	.			trans	-87.6	42.4	-175.4	-65.7	-74.6	172.5	0	0	112.2	L643 K646 K650 R651	L643-E648 HydrophobicContact CB-CB 4.26Å; L643-E648 HydrophobicContact CD2-CB 4.43Å; L643-E648 WeakPolarHBondContact O-CB 3.29Å; L643-E648 PolarHBondContact O-N 2.87Å; K646-E648 VanDerWaalsContact C-N 3.28Å; K646-E648 HydrophobicContact CB-CG 4.03Å; E648-K650 PolarHBondContact O-N 2.97Å; E648-R651 HydrophobicContact CB-CG 4.2Å; E648-R651 WeakPolarHBondContact O-CB 3.32Å; E648-R651 PolarHBondContact O-N 2.78Å; E648-R651 IonicContact OE2-CZ 3.54Å; E648-R651 IonicContact OE2-NE 3.64Å; E648-R651 PolarHBondContact OE2-NE 3.18Å; E648-R651 IonicContact OE2-NH2 3.02Å
649	H	92.4	Very high	95.4	Very high	113 Å²	113	45.8 Å²	45.8	52%	0.523	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.5	-171.5	-56.2	-59.2	0	0	0	114.9	D644 G647 R651	D644-H649 PolarHBondContact O-CE1 3.43Å; D644-H649 IonicContact OD1-CE1 3.56Å; D644-H649 IonicContact OD1-CG 3.61Å; D644-H649 IonicContact OD1-ND1 3.96Å; D644-H649 PolarHBondContact OD1-ND1 2.79Å; G647-H649 PolarHBondContact O-N 2.5Å; G647-H649 VanDerWaalsContact O-N 3.11Å; H649-R651 VanDerWaalsContact C-N 3.26Å; H649-R651 PolarHBondContact O-N 3.1Å
650	K	95.5	Very high	95.2	Very high	160 Å²	160	45.8 Å²	45.8	70%	0.696	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-14.2	178.9	-62.4	-178.2	-177.3	177.3	0	112.6	E648 T652 H701	E648-K650 PolarHBondContact O-N 2.97Å; K650-T652 PolarHBondContact O-N 3.35Å; K650-H701 PolarHBondContact O-CD2 2.95Å
651	R	97.7	Very high	95.2	Very high	35 Å²	35	45.2 Å²	45.2	13%	0.132	22%	0.224	C	C	.	.			trans	-76.8	91.3	178.4	-66.5	-177.1	-175.6	-87.2	-6.5	110.1	L643 E648 H649 K699 H701 L702 A703 A730	L643-R651 HydrophobicContact CD1-CB 3.93Å; E648-R651 HydrophobicContact CB-CG 4.2Å; E648-R651 WeakPolarHBondContact O-CB 3.32Å; E648-R651 PolarHBondContact O-N 2.78Å; E648-R651 IonicContact OE2-CZ 3.54Å; E648-R651 IonicContact OE2-NE 3.64Å; E648-R651 PolarHBondContact OE2-NE 3.18Å; E648-R651 IonicContact OE2-NH2 3.02Å; H649-R651 VanDerWaalsContact C-N 3.26Å; H649-R651 PolarHBondContact O-N 3.1Å; R651-K699 PolarHBondContact NH1-O 3.34Å; R651-H701 CarbonylContact C-O 3.51Å; R651-H701 VanDerWaalsContact CA-O 3.26Å; R651-H701 WeakPolarHBondContact CA-O 3.3Å; R651-L702 WeakPolarHBondContact CD-O 3.31Å; R651-L702 WeakPolarHBondContact CG-O 3.36Å; R651-L702 PolarHBondContact NH1-O 3.27Å; R651-A703 HydrophobicContact CB-CB 4.28Å; R651-A703 VanDerWaalsContact O-CB 3.25Å; R651-A703 WeakPolarHBondContact O-CB 3.34Å; R651-A730 PolarHBondContact NH1-O 2.94Å
652	T	97	Very high	95.2	Very high	39 Å²	39	44.8 Å²	44.8	24%	0.239	22%	0.22	C	C	.	.			trans	-124.3	-4.8	-178.1	62.7	0	0	0	0	113.7	K650 M673 T674 H701	K650-T652 PolarHBondContact O-N 3.35Å; T652-M673 CarbonylContact O-C 3.55Å; T652-M673 VanDerWaalsContact O-CA 3.27Å; T652-M673 WeakPolarHBondContact O-CA 3.48Å; T652-M673 WeakPolarHBondContact O-CB 3.37Å; T652-T674 PolarHBondContact O-N 3.29Å; T652-H701 PolarHBondContact N-O 3.45Å
653	I	98.5	Very high	95.2	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.062	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	125.9	-179.5	-61.2	-71.4	0	0	0	109.5	L655 T674 K676 Y698 H701 A703 A704	I653-L655 HydrophobicContact CG2-CD2 4.03Å; I653-T674 WeakPolarHBondContact CA-O 3.27Å; I653-T674 HydrophobicContact CD1-CG2 3.99Å; I653-K676 HydrophobicContact CD1-CG 3.99Å; I653-K676 HydrophobicContact CG2-CB 4.14Å; I653-K676 HydrophobicContact CG2-CG 3.74Å; I653-Y698 HydrophobicContact CB-CG 4.44Å; I653-Y698 HydrophobicContact CD1-CD1 3.95Å; I653-Y698 HydrophobicContact CD1-CE1 4.12Å; I653-Y698 HydrophobicContact CD1-CG 4.46Å; I653-Y698 HydrophobicContact CG1-CD1 3.87Å; I653-Y698 HydrophobicContact CG1-CG 4.09Å; I653-Y698 HydrophobicContact CG2-CD1 4.42Å; I653-Y698 HydrophobicContact CG2-CD2 4.02Å; I653-Y698 HydrophobicContact CG2-CG 3.9Å; I653-H701 WeakPolarHBondContact CB-O 3.17Å; I653-H701 HydrophobicContact CG1-CB 3.78Å; I653-H701 PolarHBondContact N-O 3.27Å; I653-A703 WeakPolarHBondContact O-CA 3.37Å; I653-A703 WeakPolarHBondContact O-CB 3.26Å; I653-A703 PolarHBondContact O-N 2.81Å; I653-A704 PolarHBondContact O-N 2.9Å
654	C	98.7	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.6	171.5	-172.8	0	0	0	0	109.1	A668 M673 T674 V675 K676 A704	C654-A668 HydrophobicContact CB-CB 4.16Å; C654-M673 HydrophobicContact CB-CB 4Å; C654-M673 HydrophobicContact CB-SD 3.91Å; C654-T674 PolarHBondContact N-O 3.1Å; C654-V675 WeakPolarHBondContact O-CA 3.32Å; C654-K676 PolarHBondContact O-N 3.35Å; C654-A704 CarbonylContact C-O 3.43Å; C654-A704 WeakPolarHBondContact CA-O 3.48Å
655	L	98.7	Very high	95.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.5	174.5	-62	-174.9	0	0	0	109.4	I653 K676 V678 L691 Q694 Y698 L702 A704 I705 M706 I727	I653-L655 HydrophobicContact CG2-CD2 4.03Å; L655-K676 CarbonylContact C-O 3.6Å; L655-K676 WeakPolarHBondContact CA-O 3.37Å; L655-K676 HydrophobicContact CD2-CB 3.87Å; L655-V678 HydrophobicContact CB-CG2 3.98Å; L655-V678 HydrophobicContact CD1-CG2 4.4Å; L655-V678 HydrophobicContact CD2-CG2 4.43Å; L655-V678 HydrophobicContact CG-CG2 4.49Å; L655-L691 HydrophobicContact CD1-CD1 4.14Å; L655-Q694 HydrophobicContact CD1-CB 4.44Å; L655-Q694 HydrophobicContact CD2-CB 4.08Å; L655-Y698 HydrophobicContact CD2-CD2 4.32Å; L655-L702 HydrophobicContact CD1-CD1 3.78Å; L655-L702 HydrophobicContact CD2-CD1 4.47Å; L655-L702 HydrophobicContact CG-CD1 3.63Å; L655-A704 PolarHBondContact N-O 3.38Å; L655-I705 HydrophobicContact CB-CB 4.21Å; L655-I705 HydrophobicContact CB-CD1 4.44Å; L655-I705 HydrophobicContact CB-CG1 3.9Å; L655-I705 CarbonylContact O-C 3.47Å; L655-I705 VanDerWaalsContact O-CA 3.28Å; L655-I705 WeakPolarHBondContact O-CA 3.39Å; L655-I705 WeakPolarHBondContact O-CG1 3.33Å; L655-M706 PolarHBondContact O-N 3.38Å; L655-I727 HydrophobicContact CD1-CD1 3.87Å
656	I	98.1	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	118.9	-177.6	-56.5	-172.4	0	0	0	109.5	A660 N664 P665 A668 V675 K676 H677 V678 M706	I656-A660 HydrophobicContact CG2-CB 3.58Å; I656-N664 HydrophobicContact CG2-CB 4.33Å; I656-P665 VanDerWaalsContact CD1-CA 3.47Å; I656-P665 HydrophobicContact CD1-CB 3.95Å; I656-A668 HydrophobicContact CD1-CB 3.95Å; I656-V675 HydrophobicContact CB-CG1 4.26Å; I656-V675 HydrophobicContact CD1-CB 4.49Å; I656-V675 HydrophobicContact CD1-CG1 3.86Å; I656-V675 HydrophobicContact CD1-CG2 3.93Å; I656-V675 HydrophobicContact CG1-CG1 4.17Å; I656-K676 PolarHBondContact N-O 3.09Å; I656-H677 VanDerWaalsContact O-CA 3.28Å; I656-H677 WeakPolarHBondContact O-CA 2.92Å; I656-H677 PolarHBondContact O-ND1 3.34Å; I656-V678 PolarHBondContact O-N 3.39Å; I656-V678 VanDerWaalsContact O-N 3.07Å; I656-M706 HydrophobicContact CD1-SD 3.92Å; I656-M706 HydrophobicContact CG1-CB 4.26Å; I656-M706 HydrophobicContact CG1-CG 4.5Å; I656-M706 HydrophobicContact CG1-SD 4.41Å
657	P	96.2	Very high	96	Very high	8 Å²	8	28.5 Å²	28.5	5%	0.052	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	144.1	173.5	-25	35.1	0	0	0	111.9	S659 A660 V678 L686 M706 I707	P657-S659 PolarHBondContact O-N 3.05Å; P657-S659 VanDerWaalsContact O-N 3.14Å; P657-A660 WeakPolarHBondContact O-CB 3.21Å; P657-A660 PolarHBondContact O-N 3.36Å; P657-V678 CarbonylContact C-O 3.5Å; P657-V678 VanDerWaalsContact CA-O 3.31Å; P657-V678 WeakPolarHBondContact CA-O 3.35Å; P657-L686 HydrophobicContact CB-CD1 3.84Å; P657-L686 HydrophobicContact CG-CD1 3.68Å; P657-M706 WeakPolarHBondContact CD-O 3.28Å; P657-I707 HydrophobicContact CG-CG2 4.36Å
658	T	93.1	Very high	96.1	Very high	65 Å²	65	26.2 Å²	26.2	40%	0.399	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.1	177.4	45.2	0	0	0	0	113	H677 V678	T658-H677 HydrophobicContact CG2-CB 4.15Å; T658-V678 PolarHBondContact N-O 2.92Å
659	S	91.3	Very high	96.1	Very high	14 Å²	14	26.9 Å²	26.9	10%	0.098	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.9	177.4	58.9	0	0	0	0	114.5	P657 T712 F713	P657-S659 PolarHBondContact O-N 3.05Å; P657-S659 VanDerWaalsContact O-N 3.14Å; S659-T712 WeakPolarHBondContact CB-OG1 3.11Å; S659-T712 PolarHBondContact O-OG1 3.31Å; S659-F713 VanDerWaalsContact CB-CE2 3.47Å; S659-F713 VanDerWaalsContact CB-CZ 3.48Å
660	A	93.1	Very high	96.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.008	11%	0.11	C	C	.	.	S	Bend	trans	-58.3	149.8	-174.5	0	0	0	0	0	112.1	R383 I656 P657 N664	R383-A660 PolarHBondContact NH1-O 3.3Å; R383-A660 PolarHBondContact NH2-O 3.07Å; R383-A660 VanDerWaalsContact NH2-O 3.08Å; I656-A660 HydrophobicContact CG2-CB 3.58Å; P657-A660 WeakPolarHBondContact O-CB 3.21Å; P657-A660 PolarHBondContact O-N 3.36Å; A660-N664 HydrophobicContact CB-CB 4.25Å
661	H	93.6	Very high	96.3	Very high	27 Å²	27	14.5 Å²	14.5	13%	0.125	8%	0.077	C	C	.	.			trans	-56.7	150.7	175.1	-170.6	-101.2	0	0	0	111.1	Q379 T663 N664 P665 W916	Q379-H661 PolarHBondContact NE2-CE1 3.02Å; Q379-H661 PolarHBondContact OE1-CE1 2.9Å; H661-T663 VanDerWaalsContact CE1-CG2 3.46Å; H661-T663 WeakPolarHBondContact CE1-CG2 3.45Å; H661-T663 WeakPolarHBondContact ND1-CG2 3.43Å; H661-T663 PolarHBondContact ND1-N 2.77Å; H661-T663 PolarHBondContact ND1-OG1 3.36Å; H661-T663 PolarHBondContact O-N 3.13Å; H661-N664 PolarHBondContact O-N 3.05Å; H661-N664 PolarHBondContact O-OD1 2.97Å; H661-P665 WeakPolarHBondContact O-CD 3.26Å; H661-W916 HydrophobicContact CB-CH2 4.1Å; H661-W916 HydrophobicContact CB-CZ2 3.83Å; H661-W916 AromaticContact CD2-CH2 3.6Å; H661-W916 AromaticContact CD2-CZ2 3.63Å
662	G	93.1	Very high	96.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.6	-173.2	0	0	0	0	0	113.5	Q379 P665 A666	Q379-G662 WeakPolarHBondContact O-CA 3.22Å; G662-P665 WeakPolarHBondContact O-CD 3.25Å; G662-P665 WeakPolarHBondContact O-CG 3.45Å; G662-A666 PolarHBondContact O-N 3.25Å
663	T	96.3	Very high	96.2	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-65.4	-40.4	172.4	51.4	0	0	0	0	111.3	Q379 N389 C391 A629 E632 H661 A666 S667	Q379-T663 HydrophobicContact CB-CG2 4.48Å; Q379-T663 HydrophobicContact CG-CG2 3.79Å; N389-T663 WeakPolarHBondContact O-CG2 3.3Å; C391-T663 HydrophobicContact CB-CG2 3.75Å; A629-T663 HydrophobicContact CB-CG2 4.06Å; E632-T663 VanDerWaalsContact OE1-CB 3.29Å; E632-T663 WeakPolarHBondContact OE1-CB 3.38Å; E632-T663 PolarHBondContact OE1-OG1 2.9Å; E632-T663 VanDerWaalsContact OE2-CB 3.27Å; E632-T663 WeakPolarHBondContact OE2-CB 3.37Å; E632-T663 VanDerWaalsContact OE2-O 3.13Å; E632-T663 PolarHBondContact OE2-OG1 3.33Å; H661-T663 VanDerWaalsContact CE1-CG2 3.46Å; H661-T663 WeakPolarHBondContact CE1-CG2 3.45Å; H661-T663 WeakPolarHBondContact ND1-CG2 3.43Å; H661-T663 PolarHBondContact ND1-N 2.77Å; H661-T663 PolarHBondContact ND1-OG1 3.36Å; H661-T663 PolarHBondContact O-N 3.13Å; T663-A666 CarbonylContact O-C 3.12Å; T663-A666 PolarHBondContact O-N 2.91Å; T663-A666 VanDerWaalsContact O-N 3.08Å; T663-S667 VanDerWaalsContact O-CB 3.31Å; T663-S667 WeakPolarHBondContact O-CB 3.46Å; T663-S667 PolarHBondContact O-N 3.04Å; T663-S667 PolarHBondContact O-OG 2.96Å
664	N	97.9	Very high	96.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-54.1	-55.9	-176.7	-51.2	37.9	0	0	0	112	E632 I656 A660 H661 A666 S667 A668 M706 D737	E632-N664 WeakPolarHBondContact OE2-CA 3.24Å; E632-N664 PolarHBondContact OE2-N 2.97Å; I656-N664 HydrophobicContact CG2-CB 4.33Å; A660-N664 HydrophobicContact CB-CB 4.25Å; H661-N664 PolarHBondContact O-N 3.05Å; H661-N664 PolarHBondContact O-OD1 2.97Å; N664-A666 PolarHBondContact O-N 3.28Å; N664-S667 PolarHBondContact O-N 2.66Å; N664-A668 WeakPolarHBondContact O-CB 3.32Å; N664-A668 PolarHBondContact O-N 2.84Å; N664-M706 HydrophobicContact CB-CB 4.47Å; N664-M706 HydrophobicContact CB-CE 3.7Å; N664-M706 HydrophobicContact CB-SD 3.93Å; N664-D737 PolarHBondContact ND2-OD2 3.09Å; N664-D737 PolarHBondContact OD1-OD2 2.78Å
665	P	97.5	Very high	96.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-33.3	176.6	27.3	-34.6	0	0	0	113.7	R383 D384 I656 H661 G662 Q669 V675	R383-P665 HydrophobicContact CB-CB 4.36Å; R383-P665 HydrophobicContact CB-CG 3.66Å; R383-P665 HydrophobicContact CG-CG 4.31Å; D384-P665 HydrophobicContact CB-CB 3.99Å; I656-P665 VanDerWaalsContact CD1-CA 3.47Å; I656-P665 HydrophobicContact CD1-CB 3.95Å; H661-P665 WeakPolarHBondContact O-CD 3.26Å; G662-P665 WeakPolarHBondContact O-CD 3.25Å; G662-P665 WeakPolarHBondContact O-CG 3.45Å; P665-Q669 PolarHBondContact O-N 2.81Å; P665-Q669 VanDerWaalsContact O-N 3.07Å; P665-V675 HydrophobicContact CB-CG1 4.19Å; P665-V675 HydrophobicContact CB-CG2 4.15Å
666	A	97.5	Very high	96	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.033	11%	0.114	C	C	.	.	H	α-helix	trans	-67.4	-42.6	175.9	0	0	0	0	0	112.2	Q379 N389 G662 T663 N664 Q669 M670	Q379-A666 HydrophobicContact CB-CB 4.49Å; N389-A666 HydrophobicContact CB-CB 3.67Å; G662-A666 PolarHBondContact O-N 3.25Å; T663-A666 CarbonylContact O-C 3.12Å; T663-A666 PolarHBondContact O-N 2.91Å; T663-A666 VanDerWaalsContact O-N 3.08Å; N664-A666 PolarHBondContact O-N 3.28Å; A666-Q669 PolarHBondContact O-N 2.96Å; A666-M670 VanDerWaalsContact O-CB 3.27Å; A666-M670 WeakPolarHBondContact O-CB 3.46Å; A666-M670 PolarHBondContact O-N 2.81Å
667	S	98.4	Very high	96	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-39.7	176	-64.4	0	0	0	0	111.4	N389 A629 E632 T663 N664 M670 A671	N389-S667 PolarHBondContact ND2-OG 3.35Å; A629-S667 PolarHBondContact O-OG 3.13Å; E632-S667 WeakPolarHBondContact CB-OG 3.4Å; E632-S667 VanDerWaalsContact OE2-CB 3.29Å; E632-S667 WeakPolarHBondContact OE2-CB 3.37Å; E632-S667 PolarHBondContact OE2-OG 3.31Å; T663-S667 VanDerWaalsContact O-CB 3.31Å; T663-S667 WeakPolarHBondContact O-CB 3.46Å; T663-S667 PolarHBondContact O-N 3.04Å; T663-S667 PolarHBondContact O-OG 2.96Å; N664-S667 PolarHBondContact O-N 2.66Å; S667-M670 PolarHBondContact O-N 2.84Å; S667-A671 WeakPolarHBondContact O-CB 3.34Å; S667-A671 PolarHBondContact O-N 3.1Å
668	A	98	Very high	96	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-46.6	174.4	0	0	0	0	0	112.3	L636 C654 I656 N664 M670 A671 G672 M673 V675 M706	L636-A668 VanDerWaalsContact CD1-CA 3.45Å; L636-A668 HydrophobicContact CD1-CB 3.91Å; C654-A668 HydrophobicContact CB-CB 4.16Å; I656-A668 HydrophobicContact CD1-CB 3.95Å; N664-A668 WeakPolarHBondContact O-CB 3.32Å; N664-A668 PolarHBondContact O-N 2.84Å; A668-M670 VanDerWaalsContact C-N 3.32Å; A668-M670 PolarHBondContact O-N 3.44Å; A668-A671 PolarHBondContact O-N 2.99Å; A668-G672 PolarHBondContact O-N 3.25Å; A668-M673 HydrophobicContact CB-CB 4.38Å; A668-M673 WeakPolarHBondContact O-CB 3.22Å; A668-M673 PolarHBondContact O-N 3.14Å; A668-V675 HydrophobicContact CB-CG2 3.81Å; A668-M706 HydrophobicContact CB-SD 4.25Å
669	Q	96.3	Very high	96.2	Very high	83 Å²	83	25.5 Å²	25.5	39%	0.388	13%	0.133	S	C	.	.	H	α-helix	trans	-61.3	-42.9	174.5	-171.7	-168.6	36.6	0	0	111.5	L242 D384 P665 A666 A671 G672	L242-Q669 WeakPolarHBondContact CD2-O 3.38Å; D384-Q669 PolarHBondContact O-NE2 2.91Å; D384-Q669 PolarHBondContact O-OE1 3.31Å; P665-Q669 PolarHBondContact O-N 2.81Å; P665-Q669 VanDerWaalsContact O-N 3.07Å; A666-Q669 PolarHBondContact O-N 2.96Å; Q669-A671 VanDerWaalsContact C-N 3.28Å; Q669-A671 PolarHBondContact O-N 3.13Å; Q669-G672 PolarHBondContact O-N 3.01Å
670	M	96.3	Very high	96.3	Very high	14 Å²	14	26.5 Å²	26.5	7%	0.069	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-32.1	177.5	-175.2	179.1	-74.7	0	0	113.1	R238 N389 Y633 A666 S667 A668 G672	R238-M670 VanDerWaalsContact NH1-CE 3.26Å; R238-M670 PolarHBondContact NH1-SD 2.95Å; R238-M670 PolarHBondContact NH2-SD 3.24Å; N389-M670 HydrophobicContact CB-CE 3.89Å; N389-M670 HydrophobicContact CB-SD 4.37Å; N389-M670 VanDerWaalsContact CG-CE 3.44Å; N389-M670 VanDerWaalsContact CG-SD 3.54Å; N389-M670 WeakPolarHBondContact OD1-CE 3.49Å; N389-M670 PolarHBondContact OD1-SD 3.41Å; Y633-M670 HydrophobicContact CD1-SD 4.42Å; Y633-M670 HydrophobicContact CD2-CB 4.41Å; Y633-M670 HydrophobicContact CD2-CG 3.95Å; Y633-M670 HydrophobicContact CD2-SD 4.27Å; Y633-M670 HydrophobicContact CE2-CG 4.05Å; Y633-M670 HydrophobicContact CG-CG 4.44Å; Y633-M670 HydrophobicContact CG-SD 4.16Å; A666-M670 VanDerWaalsContact O-CB 3.27Å; A666-M670 WeakPolarHBondContact O-CB 3.46Å; A666-M670 PolarHBondContact O-N 2.81Å; S667-M670 PolarHBondContact O-N 2.84Å; A668-M670 VanDerWaalsContact C-N 3.32Å; A668-M670 PolarHBondContact O-N 3.44Å; M670-G672 PolarHBondContact O-N 3.38Å
671	A	95.8	Very high	96.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-1.3	172.7	0	0	0	0	0	113.6	Y633 L636 S667 A668 Q669	Y633-A671 HydrophobicContact CD2-CB 4.15Å; Y633-A671 HydrophobicContact CE2-CB 4.45Å; L636-A671 HydrophobicContact CB-CB 3.82Å; L636-A671 HydrophobicContact CD1-CB 4.34Å; S667-A671 WeakPolarHBondContact O-CB 3.34Å; S667-A671 PolarHBondContact O-N 3.1Å; A668-A671 PolarHBondContact O-N 2.99Å; Q669-A671 VanDerWaalsContact C-N 3.28Å; Q669-A671 PolarHBondContact O-N 3.13Å
672	G	94	Very high	95.9	Very high	27 Å²	27	32.9 Å²	32.9	28%	0.278	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	24.1	-178.4	0	0	0	0	0	113.8	N241 A668 Q669 M670	N241-G672 WeakPolarHBondContact O-CA 3.42Å; A668-G672 PolarHBondContact O-N 3.25Å; Q669-G672 PolarHBondContact O-N 3.01Å; M670-G672 PolarHBondContact O-N 3.38Å
673	M	96.8	Very high	95.5	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.054	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-96.5	153.8	175.2	-61.8	-179.6	176.3	0	0	111.2	L636 I639 K640 T652 C654 A668 A703	L636-M673 HydrophobicContact CB-CE 4.07Å; L636-M673 HydrophobicContact CB-SD 4.34Å; L636-M673 HydrophobicContact CD1-SD 4.47Å; L636-M673 HydrophobicContact CD2-CE 4.33Å; L636-M673 HydrophobicContact CD2-SD 4.09Å; L636-M673 WeakPolarHBondContact O-CE 3.24Å; I639-M673 HydrophobicContact CG2-CE 4.23Å; K640-M673 HydrophobicContact CB-CE 4.34Å; T652-M673 CarbonylContact O-C 3.55Å; T652-M673 VanDerWaalsContact O-CA 3.27Å; T652-M673 WeakPolarHBondContact O-CA 3.48Å; T652-M673 WeakPolarHBondContact O-CB 3.37Å; C654-M673 HydrophobicContact CB-CB 4Å; C654-M673 HydrophobicContact CB-SD 3.91Å; A668-M673 HydrophobicContact CB-CB 4.38Å; A668-M673 WeakPolarHBondContact O-CB 3.22Å; A668-M673 PolarHBondContact O-N 3.14Å; M673-A703 HydrophobicContact CE-CB 4.31Å
674	T	97.4	Very high	94.9	Very high	71 Å²	71	36.6 Å²	36.6	44%	0.436	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.2	173.1	-63.3	0	0	0	0	109.3	T652 I653 C654	T652-T674 PolarHBondContact O-N 3.29Å; I653-T674 WeakPolarHBondContact CA-O 3.27Å; I653-T674 HydrophobicContact CD1-CG2 3.99Å; C654-T674 PolarHBondContact N-O 3.1Å
675	V	97.8	Very high	94.6	Very high	23 Å²	23	37.8 Å²	37.8	14%	0.139	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	132.5	-179.9	177.5	0	0	0	0	110.7	D384 C654 I656 P665 A668	D384-V675 HydrophobicContact CB-CG2 4.3Å; C654-V675 WeakPolarHBondContact O-CA 3.32Å; I656-V675 HydrophobicContact CB-CG1 4.26Å; I656-V675 HydrophobicContact CD1-CB 4.49Å; I656-V675 HydrophobicContact CD1-CG1 3.86Å; I656-V675 HydrophobicContact CD1-CG2 3.93Å; I656-V675 HydrophobicContact CG1-CG1 4.17Å; P665-V675 HydrophobicContact CB-CG1 4.19Å; P665-V675 HydrophobicContact CB-CG2 4.15Å; A668-V675 HydrophobicContact CB-CG2 3.81Å
676	K	98.1	Very high	94.4	Very high	67 Å²	67	38.5 Å²	38.5	29%	0.291	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.7	168.8	-63.7	-65.8	-178.9	166.1	0	109.1	I653 C654 L655 I656 Y698	I653-K676 HydrophobicContact CD1-CG 3.99Å; I653-K676 HydrophobicContact CG2-CB 4.14Å; I653-K676 HydrophobicContact CG2-CG 3.74Å; C654-K676 PolarHBondContact O-N 3.35Å; L655-K676 CarbonylContact C-O 3.6Å; L655-K676 WeakPolarHBondContact CA-O 3.37Å; L655-K676 HydrophobicContact CD2-CB 3.87Å; I656-K676 PolarHBondContact N-O 3.09Å; K676-Y698 HydrophobicContact CB-CE2 4.04Å; K676-Y698 HydrophobicContact CD-CE1 4.48Å; K676-Y698 HydrophobicContact CD-CE2 3.96Å; K676-Y698 WeakPolarHBondContact CD-OH 3.36Å; K676-Y698 WeakPolarHBondContact CE-OH 3.49Å; K676-Y698 HydrophobicContact CG-CD2 4.25Å; K676-Y698 HydrophobicContact CG-CE1 4.45Å; K676-Y698 HydrophobicContact CG-CE2 3.65Å; K676-Y698 PolarHBondContact NZ-OH 3.24Å; K676-Y698 VanDerWaalsContact NZ-OH 3.12Å
677	H	97	Very high	94.4	Very high	75 Å²	75	40.1 Å²	40.1	35%	0.347	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	143.4	-172.6	-68.4	-60.1	0	0	0	112.4	I656 T658 H690	I656-H677 VanDerWaalsContact O-CA 3.28Å; I656-H677 WeakPolarHBondContact O-CA 2.92Å; I656-H677 PolarHBondContact O-ND1 3.34Å; T658-H677 HydrophobicContact CG2-CB 4.15Å; H677-H690 PolarHBondContact O-CE1 3.41Å
678	V	97.5	Very high	94.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.4	167.8	-173.8	0	0	0	0	108.2	L655 I656 P657 T658 L686 L691	L655-V678 HydrophobicContact CB-CG2 3.98Å; L655-V678 HydrophobicContact CD1-CG2 4.4Å; L655-V678 HydrophobicContact CD2-CG2 4.43Å; L655-V678 HydrophobicContact CG-CG2 4.49Å; I656-V678 PolarHBondContact O-N 3.39Å; I656-V678 VanDerWaalsContact O-N 3.07Å; P657-V678 CarbonylContact C-O 3.5Å; P657-V678 VanDerWaalsContact CA-O 3.31Å; P657-V678 WeakPolarHBondContact CA-O 3.35Å; T658-V678 PolarHBondContact N-O 2.92Å; V678-L686 HydrophobicContact CB-CD1 4.08Å; V678-L686 HydrophobicContact CG1-CD1 3.64Å; V678-L686 HydrophobicContact CG1-CG 4.09Å; V678-L691 HydrophobicContact CG1-CB 4.02Å; V678-L691 HydrophobicContact CG1-CD1 4.36Å; V678-L691 HydrophobicContact CG2-CD1 4.24Å
679	K	97	Very high	94.3	Very high	116 Å²	116	47.8 Å²	47.8	50%	0.504	27%	0.268	S	S	.	.			trans	-70	161.7	-179.6	-65.9	174.3	-173.3	170.9	0	111	D687 H690	K679-D687 HydrophobicContact CB-CB 4Å; K679-D687 VanDerWaalsContact O-CB 3.31Å; K679-D687 WeakPolarHBondContact O-CB 3.29Å; K679-D687 PolarHBondContact O-N 3.5Å; K679-H690 HydrophobicContact CB-CB 4.46Å; K679-H690 PolarHBondContact N-ND1 3.16Å
680	T	93.6	Very high	94.4	Very high	35 Å²	35	45 Å²	45	22%	0.215	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-115.6	146.9	168.5	54.6	0	0	0	0	109.5	S685 F713	T680-S685 CarbonylContact C-O 3.4Å; T680-S685 WeakPolarHBondContact CA-O 3.42Å; T680-F713 HydrophobicContact CG2-CE2 3.98Å
681	T	92.3	Very high	94.5	Very high	47 Å²	47	44.3 Å²	44.3	29%	0.288	25%	0.251	S	S	.	.			trans	-71.7	169.4	175.8	62.8	0	0	0	0	111.6	T683 G684 S685 D687	T681-T683 PolarHBondContact O-N 3.35Å; T681-T683 PolarHBondContact OG1-OG1 3.45Å; T681-T683 VanDerWaalsContact OG1-OG1 3.04Å; T681-G684 PolarHBondContact O-N 3.22Å; T681-S685 PolarHBondContact N-O 3.23Å; T681-S685 PolarHBondContact OG1-N 3.46Å; T681-S685 PolarHBondContact OG1-O 2.68Å; T681-D687 HydrophobicContact CG2-CB 4.26Å
682	S	86.2	Confident	94.6	Very high	115 Å²	115	48.7 Å²	48.7	80%	0.804	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.2	174.5	53.4	0	0	0	0	113.8	G684 Y872	S682-G684 VanDerWaalsContact C-N 3.31Å; S682-Y872 WeakPolarHBondContact O-CE1 3.33Å
683	T	83.4	Confident	94.8	Very high	78 Å²	78	52.9 Å²	52.9	48%	0.479	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-1	174.5	60.6	0	0	0	0	113	T681 S685 Y872	T681-T683 PolarHBondContact O-N 3.35Å; T681-T683 PolarHBondContact OG1-OG1 3.45Å; T681-T683 VanDerWaalsContact OG1-OG1 3.04Å; T683-S685 VanDerWaalsContact C-N 3.31Å; T683-Y872 VanDerWaalsContact C-CD1 3.47Å
684	G	84.9	Confident	94.8	Very high	2 Å²	2	53.3 Å²	53.3	2%	0.021	29%	0.286	C	S	.	.	S	Bend	trans	85.8	-4.8	-178.9	0	0	0	0	0	114.5	T681 S682 F713	T681-G684 PolarHBondContact O-N 3.22Å; S682-G684 VanDerWaalsContact C-N 3.31Å; G684-F713 VanDerWaalsContact CA-CD2 3.47Å; G684-F713 VanDerWaalsContact O-CD2 3.3Å; G684-F713 WeakPolarHBondContact O-CD2 3.38Å
685	S	90.6	Very high	94.9	Very high	26 Å²	26	50.3 Å²	50.3	18%	0.182	27%	0.268	C	S	.	.	S	Bend	trans	-70.8	158.5	172.5	-62	0	0	0	0	111.7	T680 T681 T683 D717	T680-S685 CarbonylContact C-O 3.4Å; T680-S685 WeakPolarHBondContact CA-O 3.42Å; T681-S685 PolarHBondContact N-O 3.23Å; T681-S685 PolarHBondContact OG1-N 3.46Å; T681-S685 PolarHBondContact OG1-O 2.68Å; T683-S685 VanDerWaalsContact C-N 3.31Å; S685-D717 WeakPolarHBondContact CA-OD2 3.34Å; S685-D717 WeakPolarHBondContact CB-OD2 3.29Å
686	L	94	Very high	94.9	Very high	14 Å²	14	53.5 Å²	53.5	7%	0.073	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-63.6	136.6	172.2	-166.8	65.4	0	0	0	110.2	P657 V678 M688 L691 I705 D717 V723	P657-L686 HydrophobicContact CB-CD1 3.84Å; P657-L686 HydrophobicContact CG-CD1 3.68Å; V678-L686 HydrophobicContact CB-CD1 4.08Å; V678-L686 HydrophobicContact CG1-CD1 3.64Å; V678-L686 HydrophobicContact CG1-CG 4.09Å; L686-M688 PolarHBondContact O-N 3.39Å; L686-M688 VanDerWaalsContact O-N 3.08Å; L686-L691 HydrophobicContact CD2-CD1 4.45Å; L686-L691 HydrophobicContact CD2-CD2 3.93Å; L686-I705 HydrophobicContact CD2-CD1 4.33Å; L686-D717 PolarHBondContact N-OD2 2.61Å; L686-V723 HydrophobicContact CD2-CG1 3.89Å; L686-V723 HydrophobicContact CD2-CG2 3.75Å
687	D	96.8	Very high	94.8	Very high	39 Å²	39	55.5 Å²	55.5	21%	0.209	30%	0.304	C	S	.	.			trans	-73.7	100.5	175.3	-176	-21.2	0	0	0	109.6	K679 T681 N689 H690 L691	K679-D687 HydrophobicContact CB-CB 4Å; K679-D687 VanDerWaalsContact O-CB 3.31Å; K679-D687 WeakPolarHBondContact O-CB 3.29Å; K679-D687 PolarHBondContact O-N 3.5Å; T681-D687 HydrophobicContact CG2-CB 4.26Å; D687-N689 VanDerWaalsContact C-N 3.33Å; D687-N689 PolarHBondContact O-N 3.3Å; D687-N689 PolarHBondContact OD1-N 3.31Å; D687-N689 VanDerWaalsContact OD1-N 3.14Å; D687-H690 HydrophobicContact CB-CB 4.01Å; D687-H690 PolarHBondContact O-N 2.9Å; D687-H690 PolarHBondContact OD1-N 3.45Å; D687-L691 WeakPolarHBondContact O-CB 3.4Å; D687-L691 PolarHBondContact O-N 2.92Å
688	M	97.3	Very high	94.9	Very high	31 Å²	31	54 Å²	54	15%	0.153	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-36.1	-177	-64.2	-56	-64.3	0	0	112.8	L686 L691 E692 N719 K722 V723 I726	L686-M688 PolarHBondContact O-N 3.39Å; L686-M688 VanDerWaalsContact O-N 3.08Å; M688-L691 HydrophobicContact CE-CD2 4.06Å; M688-L691 WeakPolarHBondContact O-CB 3.34Å; M688-L691 PolarHBondContact O-N 2.95Å; M688-L691 HydrophobicContact SD-CD2 4.21Å; M688-E692 WeakPolarHBondContact O-CG 3.37Å; M688-E692 PolarHBondContact O-N 3.46Å; M688-N719 HydrophobicContact CE-CB 4.36Å; M688-N719 HydrophobicContact CG-CB 4.24Å; M688-N719 HydrophobicContact SD-CB 3.81Å; M688-K722 HydrophobicContact CE-CB 4.32Å; M688-K722 HydrophobicContact CE-CG 4.02Å; M688-V723 HydrophobicContact CE-CG2 3.88Å; M688-V723 HydrophobicContact SD-CG2 3.55Å; M688-V723 VanDerWaalsContact SD-CG2 3.55Å; M688-I726 HydrophobicContact CE-CD1 3.63Å
689	N	97.5	Very high	94.9	Very high	130 Å²	130	59.5 Å²	59.5	70%	0.695	32%	0.32	S	S	*	.	H	α-helix	trans	-67	-46	178.6	-67.7	-24.9	0	0	0	110.4	D687 L691 E692 E693	D687-N689 VanDerWaalsContact C-N 3.33Å; D687-N689 PolarHBondContact O-N 3.3Å; D687-N689 PolarHBondContact OD1-N 3.31Å; D687-N689 VanDerWaalsContact OD1-N 3.14Å; N689-L691 VanDerWaalsContact C-N 3.32Å; N689-L691 PolarHBondContact O-N 3.41Å; N689-E692 PolarHBondContact O-N 2.8Å; N689-E693 WeakPolarHBondContact O-CB 3.2Å; N689-E693 PolarHBondContact O-N 2.71Å
690	H	97.8	Very high	94.9	Very high	24 Å²	24	59.5 Å²	59.5	11%	0.111	33%	0.325	C	S	.	.	H	α-helix	trans	-68.4	-32.8	176.6	-170	-106.9	0	0	0	111.8	H677 K679 D687 E693 Q694	H677-H690 PolarHBondContact O-CE1 3.41Å; K679-H690 HydrophobicContact CB-CB 4.46Å; K679-H690 PolarHBondContact N-ND1 3.16Å; D687-H690 HydrophobicContact CB-CB 4.01Å; D687-H690 PolarHBondContact O-N 2.9Å; D687-H690 PolarHBondContact OD1-N 3.45Å; H690-E693 IonicContact CD2-OE2 2.73Å; H690-E693 PolarHBondContact O-N 3.27Å; H690-Q694 WeakPolarHBondContact O-CB 3.43Å; H690-Q694 VanDerWaalsContact O-CG 3.24Å; H690-Q694 WeakPolarHBondContact O-CG 3.46Å; H690-Q694 PolarHBondContact O-N 3.2Å
691	L	98.1	Very high	95.1	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.9	-48.9	172.2	176.1	66.5	0	0	0	111.3	L655 V678 L686 D687 M688 N689 E693 Q694 T695 I705 V723 I726 I727	L655-L691 HydrophobicContact CD1-CD1 4.14Å; V678-L691 HydrophobicContact CG1-CB 4.02Å; V678-L691 HydrophobicContact CG1-CD1 4.36Å; V678-L691 HydrophobicContact CG2-CD1 4.24Å; L686-L691 HydrophobicContact CD2-CD1 4.45Å; L686-L691 HydrophobicContact CD2-CD2 3.93Å; D687-L691 WeakPolarHBondContact O-CB 3.4Å; D687-L691 PolarHBondContact O-N 2.92Å; M688-L691 HydrophobicContact CE-CD2 4.06Å; M688-L691 WeakPolarHBondContact O-CB 3.34Å; M688-L691 PolarHBondContact O-N 2.95Å; M688-L691 HydrophobicContact SD-CD2 4.21Å; N689-L691 VanDerWaalsContact C-N 3.32Å; N689-L691 PolarHBondContact O-N 3.41Å; L691-E693 VanDerWaalsContact C-N 3.33Å; L691-E693 PolarHBondContact O-N 3.27Å; L691-Q694 PolarHBondContact O-N 2.78Å; L691-T695 WeakPolarHBondContact O-CB 3.36Å; L691-T695 PolarHBondContact O-N 3.43Å; L691-T695 PolarHBondContact O-OG1 2.88Å; L691-I705 HydrophobicContact CD1-CD1 3.86Å; L691-V723 HydrophobicContact CD2-CB 4.15Å; L691-V723 HydrophobicContact CD2-CG1 3.86Å; L691-V723 HydrophobicContact CD2-CG2 3.84Å; L691-I726 HydrophobicContact CD2-CD1 4.39Å; L691-I727 HydrophobicContact CD1-CD1 4.18Å
692	E	98.2	Very high	95.4	Very high	91 Å²	91	59.8 Å²	59.8	43%	0.425	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-40.7	177.8	-74.1	177.7	-177.7	0	0	111.7	M688 N689 S696 I726	M688-E692 WeakPolarHBondContact O-CG 3.37Å; M688-E692 PolarHBondContact O-N 3.46Å; N689-E692 PolarHBondContact O-N 2.8Å; E692-S696 VanDerWaalsContact O-CB 3.25Å; E692-S696 WeakPolarHBondContact O-CB 3.44Å; E692-S696 PolarHBondContact O-N 2.9Å; E692-S696 PolarHBondContact O-OG 2.86Å; E692-I726 HydrophobicContact CG-CD1 4.03Å
693	E	98.1	Very high	96	Very high	116 Å²	116	54.3 Å²	54.3	54%	0.542	28%	0.283	S	S	.	.	H	α-helix	trans	-59.5	-53.4	173.9	-174.3	-167.7	163.2	0	0	111.3	N689 H690 L691 T695 S696 L697	N689-E693 WeakPolarHBondContact O-CB 3.2Å; N689-E693 PolarHBondContact O-N 2.71Å; H690-E693 IonicContact CD2-OE2 2.73Å; H690-E693 PolarHBondContact O-N 3.27Å; L691-E693 VanDerWaalsContact C-N 3.33Å; L691-E693 PolarHBondContact O-N 3.27Å; E693-T695 PolarHBondContact O-N 3.01Å; E693-S696 PolarHBondContact O-N 3.03Å; E693-L697 VanDerWaalsContact O-CB 3.31Å; E693-L697 WeakPolarHBondContact O-CB 3.35Å; E693-L697 PolarHBondContact O-N 3.22Å
694	Q	98.2	Very high	96.7	Very high	20 Å²	20	50.6 Å²	50.6	9%	0.093	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-39.2	-179.4	-66.2	-57.4	-68.6	0	0	111.8	L655 H690 L691 L697 Y698	L655-Q694 HydrophobicContact CD1-CB 4.44Å; L655-Q694 HydrophobicContact CD2-CB 4.08Å; H690-Q694 WeakPolarHBondContact O-CB 3.43Å; H690-Q694 VanDerWaalsContact O-CG 3.24Å; H690-Q694 WeakPolarHBondContact O-CG 3.46Å; H690-Q694 PolarHBondContact O-N 3.2Å; L691-Q694 PolarHBondContact O-N 2.78Å; Q694-L697 PolarHBondContact O-N 3.18Å; Q694-Y698 VanDerWaalsContact O-CD2 3.23Å; Q694-Y698 WeakPolarHBondContact O-CD2 3.2Å; Q694-Y698 PolarHBondContact O-N 3.18Å; Q694-Y698 VanDerWaalsContact OE1-CE2 3.32Å
695	T	98	Very high	97.4	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.049	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-43.3	177.4	-59.2	0	0	0	0	110.7	L691 E693 K699 L702 I726 A730	L691-T695 WeakPolarHBondContact O-CB 3.36Å; L691-T695 PolarHBondContact O-N 3.43Å; L691-T695 PolarHBondContact O-OG1 2.88Å; E693-T695 PolarHBondContact O-N 3.01Å; T695-K699 VanDerWaalsContact O-CA 3.29Å; T695-K699 WeakPolarHBondContact O-CA 3.49Å; T695-K699 WeakPolarHBondContact O-CB 3.24Å; T695-K699 PolarHBondContact O-N 3.08Å; T695-L702 HydrophobicContact CG2-CD2 4.01Å; T695-I726 HydrophobicContact CG2-CG2 3.84Å; T695-A730 HydrophobicContact CG2-CB 3.31Å
696	S	97.5	Very high	97.7	Very high	90 Å²	90	49.3 Å²	49.3	63%	0.629	25%	0.25	S	S	*	.	H	α-helix	trans	-65.1	-44.5	176	-60.9	0	0	0	0	111.7	E692 E693 Y698	E692-S696 VanDerWaalsContact O-CB 3.25Å; E692-S696 WeakPolarHBondContact O-CB 3.44Å; E692-S696 PolarHBondContact O-N 2.9Å; E692-S696 PolarHBondContact O-OG 2.86Å; E693-S696 PolarHBondContact O-N 3.03Å; S696-Y698 VanDerWaalsContact C-N 3.33Å; S696-Y698 PolarHBondContact O-N 2.94Å
697	L	97.9	Very high	97.9	Very high	109 Å²	109	49.1 Å²	49.1	57%	0.571	25%	0.249	S	C	*	.	H	α-helix	trans	-61.4	-39.1	179.3	179.5	62.1	0	0	0	112.6	E693 Q694	E693-L697 VanDerWaalsContact O-CB 3.31Å; E693-L697 WeakPolarHBondContact O-CB 3.35Å; E693-L697 PolarHBondContact O-N 3.22Å; Q694-L697 PolarHBondContact O-N 3.18Å
698	Y	97.7	Very high	98	Very high	43 Å²	43	48 Å²	48	17%	0.169	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	13.3	-176.2	-61.3	-63.6	0	0	0	114.2	I653 L655 K676 Q694 S696 D700 H701 L702	I653-Y698 HydrophobicContact CB-CG 4.44Å; I653-Y698 HydrophobicContact CD1-CD1 3.95Å; I653-Y698 HydrophobicContact CD1-CE1 4.12Å; I653-Y698 HydrophobicContact CD1-CG 4.46Å; I653-Y698 HydrophobicContact CG1-CD1 3.87Å; I653-Y698 HydrophobicContact CG1-CG 4.09Å; I653-Y698 HydrophobicContact CG2-CD1 4.42Å; I653-Y698 HydrophobicContact CG2-CD2 4.02Å; I653-Y698 HydrophobicContact CG2-CG 3.9Å; L655-Y698 HydrophobicContact CD2-CD2 4.32Å; K676-Y698 HydrophobicContact CB-CE2 4.04Å; K676-Y698 HydrophobicContact CD-CE1 4.48Å; K676-Y698 HydrophobicContact CD-CE2 3.96Å; K676-Y698 WeakPolarHBondContact CD-OH 3.36Å; K676-Y698 WeakPolarHBondContact CE-OH 3.49Å; K676-Y698 HydrophobicContact CG-CD2 4.25Å; K676-Y698 HydrophobicContact CG-CE1 4.45Å; K676-Y698 HydrophobicContact CG-CE2 3.65Å; K676-Y698 PolarHBondContact NZ-OH 3.24Å; K676-Y698 VanDerWaalsContact NZ-OH 3.12Å; Q694-Y698 VanDerWaalsContact O-CD2 3.23Å; Q694-Y698 WeakPolarHBondContact O-CD2 3.2Å; Q694-Y698 PolarHBondContact O-N 3.18Å; Q694-Y698 VanDerWaalsContact OE1-CE2 3.32Å; S696-Y698 VanDerWaalsContact C-N 3.33Å; S696-Y698 PolarHBondContact O-N 2.94Å; Y698-D700 VanDerWaalsContact C-N 3.27Å; Y698-D700 PolarHBondContact O-N 3.33Å; Y698-H701 CarbonylContact O-C 3.34Å; Y698-H701 WeakPolarHBondContact O-CA 3.41Å; Y698-H701 PolarHBondContact O-N 2.73Å; Y698-L702 WeakPolarHBondContact O-CB 3.47Å; Y698-L702 PolarHBondContact O-N 3.3Å
699	K	97.3	Very high	98	Very high	115 Å²	115	46.7 Å²	46.7	50%	0.5	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-45.6	-172	-174.5	174.8	-179.2	172.7	0	114.3	R651 T695 H701 A730	R651-K699 PolarHBondContact NH1-O 3.34Å; T695-K699 VanDerWaalsContact O-CA 3.29Å; T695-K699 WeakPolarHBondContact O-CA 3.49Å; T695-K699 WeakPolarHBondContact O-CB 3.24Å; T695-K699 PolarHBondContact O-N 3.08Å; K699-H701 VanDerWaalsContact C-N 3.31Å; K699-H701 PolarHBondContact O-N 2.89Å; K699-A730 HydrophobicContact CG-CB 4.3Å
700	D	96.7	Very high	97.9	Very high	117 Å²	117	40.5 Å²	40.5	63%	0.626	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-12	-178.4	-60	-31.1	0	0	0	114.1	Y698	Y698-D700 VanDerWaalsContact C-N 3.27Å; Y698-D700 PolarHBondContact O-N 3.33Å
701	H	98.2	Very high	97.8	Very high	88 Å²	88	40.1 Å²	40.1	41%	0.407	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	1.1	-178.6	-60.5	85.1	0	0	0	112.8	K650 R651 T652 I653 Y698 K699 A703	K650-H701 PolarHBondContact O-CD2 2.95Å; R651-H701 CarbonylContact C-O 3.51Å; R651-H701 VanDerWaalsContact CA-O 3.26Å; R651-H701 WeakPolarHBondContact CA-O 3.3Å; T652-H701 PolarHBondContact N-O 3.45Å; I653-H701 WeakPolarHBondContact CB-O 3.17Å; I653-H701 HydrophobicContact CG1-CB 3.78Å; I653-H701 PolarHBondContact N-O 3.27Å; Y698-H701 CarbonylContact O-C 3.34Å; Y698-H701 WeakPolarHBondContact O-CA 3.41Å; Y698-H701 PolarHBondContact O-N 2.73Å; K699-H701 VanDerWaalsContact C-N 3.31Å; K699-H701 PolarHBondContact O-N 2.89Å; H701-A703 PolarHBondContact O-N 2.89Å
702	L	98.6	Very high	97.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	116.5	-175.6	-179	63.8	0	0	0	110.3	R651 L655 T695 Y698 I727 A730	R651-L702 WeakPolarHBondContact CD-O 3.31Å; R651-L702 WeakPolarHBondContact CG-O 3.36Å; R651-L702 PolarHBondContact NH1-O 3.27Å; L655-L702 HydrophobicContact CD1-CD1 3.78Å; L655-L702 HydrophobicContact CD2-CD1 4.47Å; L655-L702 HydrophobicContact CG-CD1 3.63Å; T695-L702 HydrophobicContact CG2-CD2 4.01Å; Y698-L702 WeakPolarHBondContact O-CB 3.47Å; Y698-L702 PolarHBondContact O-N 3.3Å; L702-I727 HydrophobicContact CD2-CD1 3.99Å; L702-A730 HydrophobicContact CD2-CB 3.67Å
703	A	98.6	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-50.1	176.3	0	0	0	0	0	111.5	L643 R651 I653 M673 H701 G732 Q733	L643-A703 HydrophobicContact CD1-CB 3.78Å; R651-A703 HydrophobicContact CB-CB 4.28Å; R651-A703 VanDerWaalsContact O-CB 3.25Å; R651-A703 WeakPolarHBondContact O-CB 3.34Å; I653-A703 WeakPolarHBondContact O-CA 3.37Å; I653-A703 WeakPolarHBondContact O-CB 3.26Å; I653-A703 PolarHBondContact O-N 2.81Å; M673-A703 HydrophobicContact CE-CB 4.31Å; H701-A703 PolarHBondContact O-N 2.89Å; A703-G732 WeakPolarHBondContact O-CA 3.19Å; A703-Q733 PolarHBondContact O-N 3.22Å
704	A	98.7	Very high	97.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	162.6	-173.7	0	0	0	0	0	113.6	I639 I653 C654 L655 Q733	I639-A704 HydrophobicContact CD1-CB 4.02Å; I639-A704 HydrophobicContact CG2-CB 4.39Å; I653-A704 PolarHBondContact O-N 2.9Å; C654-A704 CarbonylContact C-O 3.43Å; C654-A704 WeakPolarHBondContact CA-O 3.48Å; L655-A704 PolarHBondContact N-O 3.38Å; A704-Q733 CarbonylContact C-O 3.06Å; A704-Q733 WeakPolarHBondContact CA-O 3.5Å; A704-Q733 WeakPolarHBondContact CB-O 3.08Å
705	I	98.8	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.9	152.9	-165.8	170.1	0	0	0	109.1	L655 L686 L691 I707 V723 I727 Q733 V734 F735	L655-I705 HydrophobicContact CB-CB 4.21Å; L655-I705 HydrophobicContact CB-CD1 4.44Å; L655-I705 HydrophobicContact CB-CG1 3.9Å; L655-I705 CarbonylContact O-C 3.47Å; L655-I705 VanDerWaalsContact O-CA 3.28Å; L655-I705 WeakPolarHBondContact O-CA 3.39Å; L655-I705 WeakPolarHBondContact O-CG1 3.33Å; L686-I705 HydrophobicContact CD2-CD1 4.33Å; L691-I705 HydrophobicContact CD1-CD1 3.86Å; I705-I707 HydrophobicContact CD1-CG2 3.71Å; I705-I707 HydrophobicContact CG1-CG2 3.86Å; I705-I707 HydrophobicContact CG2-CG2 4.34Å; I705-V723 HydrophobicContact CD1-CG1 3.88Å; I705-I727 HydrophobicContact CB-CD1 3.95Å; I705-I727 HydrophobicContact CB-CG1 3.98Å; I705-I727 HydrophobicContact CB-CG2 4.46Å; I705-I727 HydrophobicContact CD1-CD1 4.23Å; I705-I727 HydrophobicContact CD1-CG1 4.28Å; I705-I727 HydrophobicContact CG2-CB 4.32Å; I705-I727 HydrophobicContact CG2-CD1 4.3Å; I705-I727 HydrophobicContact CG2-CG1 3.75Å; I705-I727 HydrophobicContact CG2-CG2 4.08Å; I705-Q733 PolarHBondContact N-O 2.78Å; I705-V734 HydrophobicContact CG2-CB 4.28Å; I705-V734 HydrophobicContact CG2-CG1 4.06Å; I705-V734 HydrophobicContact CG2-CG2 4.08Å; I705-F735 WeakPolarHBondContact O-CB 3.41Å; I705-F735 PolarHBondContact O-N 2.93Å
706	M	98.7	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108.4	166	-62.9	179.9	81.2	0	0	109.9	E632 L636 L655 I656 P657 N664 A668 F735	E632-M706 HydrophobicContact CB-CE 4.17Å; E632-M706 HydrophobicContact CG-CE 4.21Å; L636-M706 HydrophobicContact CD1-CE 3.99Å; L636-M706 HydrophobicContact CD1-SD 3.69Å; L636-M706 HydrophobicContact CD2-CE 4.43Å; L636-M706 HydrophobicContact CD2-CG 4.05Å; L636-M706 HydrophobicContact CD2-SD 4.02Å; L636-M706 HydrophobicContact CG-CE 4.37Å; L636-M706 HydrophobicContact CG-SD 4.32Å; L655-M706 PolarHBondContact O-N 3.38Å; I656-M706 HydrophobicContact CD1-SD 3.92Å; I656-M706 HydrophobicContact CG1-CB 4.26Å; I656-M706 HydrophobicContact CG1-CG 4.5Å; I656-M706 HydrophobicContact CG1-SD 4.41Å; P657-M706 WeakPolarHBondContact CD-O 3.28Å; N664-M706 HydrophobicContact CB-CB 4.47Å; N664-M706 HydrophobicContact CB-CE 3.7Å; N664-M706 HydrophobicContact CB-SD 3.93Å; A668-M706 HydrophobicContact CB-SD 4.25Å; M706-F735 CarbonylContact C-O 3.56Å; M706-F735 WeakPolarHBondContact CA-O 3.47Å; M706-F735 HydrophobicContact CB-CD1 4.37Å; M706-F735 HydrophobicContact CE-CD1 3.72Å; M706-F735 HydrophobicContact CE-CE1 3.81Å; M706-F735 HydrophobicContact CE-CG 4.24Å; M706-F735 HydrophobicContact CE-CZ 4.41Å; M706-F735 HydrophobicContact CG-CB 4.03Å; M706-F735 HydrophobicContact CG-CD1 4.13Å; M706-F735 HydrophobicContact CG-CG 4.23Å
707	I	97.9	Very high	96.9	Very high	11 Å²	11	26.7 Å²	26.7	6%	0.056	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	157	175.2	58.9	173.5	0	0	0	110.6	P657 I705 V720 V723 V734 F735 M736 D737	P657-I707 HydrophobicContact CG-CG2 4.36Å; I705-I707 HydrophobicContact CD1-CG2 3.71Å; I705-I707 HydrophobicContact CG1-CG2 3.86Å; I705-I707 HydrophobicContact CG2-CG2 4.34Å; I707-V720 HydrophobicContact CD1-CG2 3.87Å; I707-V723 HydrophobicContact CG2-CG1 4.36Å; I707-V734 HydrophobicContact CD1-CG1 4.03Å; I707-V734 HydrophobicContact CG1-CG1 4.28Å; I707-F735 PolarHBondContact N-O 3.14Å; I707-M736 HydrophobicContact CD1-CE 4.02Å; I707-M736 HydrophobicContact CG1-CB 4.27Å; I707-M736 HydrophobicContact CG1-CG 4.39Å; I707-M736 CarbonylContact O-C 3.36Å; I707-M736 WeakPolarHBondContact O-CA 3.38Å; I707-D737 WeakPolarHBondContact O-CB 3.2Å; I707-D737 PolarHBondContact O-N 3.23Å
708	T	97.8	Very high	96.6	Very high	15 Å²	15	25.2 Å²	25.2	9%	0.092	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.1	169	-50	0	0	0	0	107.4	P710 S711 T712 D737 N740	T708-P710 CarbonylContact C-O 3.51Å; T708-P710 CarbonylContact O-C 3.52Å; T708-S711 WeakPolarHBondContact O-CA 3.4Å; T708-S711 PolarHBondContact O-N 3.36Å; T708-T712 HydrophobicContact CG2-CG2 4.1Å; T708-D737 HydrophobicContact CG2-CB 4.17Å; T708-N740 HydrophobicContact CG2-CB 4.41Å
709	Y	97.3	Very high	96.4	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.016	14%	0.139	C	C	.	.	S	Bend	trans	-134	128.6	-178.4	-157.9	-105.1	0	0	0	111.8	I101 F716 D717 V720 M736 Q744 I753	I101-Y709 HydrophobicContact CD1-CE1 3.46Å; I101-Y709 VanDerWaalsContact CD1-CE1 3.46Å; I101-Y709 VanDerWaalsContact CD1-OH 3.22Å; I101-Y709 WeakPolarHBondContact CD1-OH 3.49Å; Y709-F716 HydrophobicContact CD1-CD1 4.21Å; Y709-F716 HydrophobicContact CD1-CE1 4.35Å; Y709-F716 AromaticContact CE1-CD1 3.45Å; Y709-F716 HydrophobicContact CE1-CD1 3.45Å; Y709-F716 VanDerWaalsContact CE1-CD1 3.45Å; Y709-F716 AromaticContact CE1-CE1 3.88Å; Y709-F716 HydrophobicContact CE1-CE1 3.88Å; Y709-F716 HydrophobicContact CE2-CD1 4.45Å; Y709-F716 AromaticContact CZ-CD1 3.6Å; Y709-D717 HydrophobicContact CE2-CB 4.18Å; Y709-D717 WeakPolarHBondContact CE2-O 3.3Å; Y709-D717 PolarHBondContact OH-O 3.35Å; Y709-V720 HydrophobicContact CD2-CB 4.06Å; Y709-V720 HydrophobicContact CD2-CG1 4.33Å; Y709-V720 HydrophobicContact CD2-CG2 3.78Å; Y709-V720 HydrophobicContact CE1-CG1 4.33Å; Y709-V720 HydrophobicContact CE2-CB 3.62Å; Y709-V720 HydrophobicContact CE2-CG1 3.6Å; Y709-V720 HydrophobicContact CE2-CG2 3.88Å; Y709-V720 HydrophobicContact CG-CG2 4.34Å; Y709-M736 HydrophobicContact CG-CE 4.29Å; Y709-Q744 PolarHBondContact O-NE2 2.54Å; Y709-I753 HydrophobicContact CD1-CD1 3.78Å; Y709-I753 HydrophobicContact CE1-CD1 3.77Å
710	P	96.5	Very high	96.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	S	Bend	cis	-51.7	158.3	-18.4	28.2	-37.1	0	0	0	110.9	T708 V715 F716 N740 A743 A880	T708-P710 CarbonylContact C-O 3.51Å; T708-P710 CarbonylContact O-C 3.52Å; P710-V715 WeakPolarHBondContact CB-O 3.34Å; P710-F716 HydrophobicContact CB-CD1 4.03Å; P710-F716 HydrophobicContact CB-CD2 4.37Å; P710-F716 HydrophobicContact CB-CE1 4.06Å; P710-F716 HydrophobicContact CB-CE2 4.39Å; P710-F716 HydrophobicContact CB-CG 4.19Å; P710-F716 HydrophobicContact CB-CZ 4.24Å; P710-F716 HydrophobicContact CG-CE1 4.27Å; P710-F716 HydrophobicContact CG-CZ 4.17Å; P710-N740 HydrophobicContact CG-CB 4.11Å; P710-N740 PolarHBondContact O-ND2 3.01Å; P710-A743 HydrophobicContact CG-CB 3.68Å; P710-A880 HydrophobicContact CB-CB 3.79Å; P710-A880 HydrophobicContact CG-CB 3.74Å
711	S	95.6	Very high	96.4	Very high	15 Å²	15	18.5 Å²	18.5	11%	0.105	10%	0.101	C	C	.	.			trans	-57.3	160.6	-177.4	64.9	0	0	0	0	111.8	T708 F713 G714 V715 N740	T708-S711 WeakPolarHBondContact O-CA 3.4Å; T708-S711 PolarHBondContact O-N 3.36Å; S711-F713 PolarHBondContact O-N 3.33Å; S711-F713 PolarHBondContact OG-N 3.07Å; S711-G714 PolarHBondContact O-N 3.24Å; S711-V715 PolarHBondContact N-O 3.13Å; S711-V715 VanDerWaalsContact OG-CG2 3.25Å; S711-V715 WeakPolarHBondContact OG-CG2 3.23Å; S711-V715 PolarHBondContact OG-O 3.1Å; S711-V715 VanDerWaalsContact OG-O 3.06Å; S711-N740 PolarHBondContact O-ND2 3.36Å
712	T	94.8	Very high	96.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-8.1	172.7	54.1	0	0	0	0	113.2	S659 T708 G714 W916 P917	S659-T712 WeakPolarHBondContact CB-OG1 3.11Å; S659-T712 PolarHBondContact O-OG1 3.31Å; T708-T712 HydrophobicContact CG2-CG2 4.1Å; T712-G714 VanDerWaalsContact C-N 3.27Å; T712-W916 HydrophobicContact CG2-CH2 3.61Å; T712-W916 HydrophobicContact CG2-CZ2 3.9Å; T712-P917 WeakPolarHBondContact O-CG 3.27Å
713	F	95.2	Very high	96.4	Very high	9 Å²	9	18.4 Å²	18.4	4%	0.039	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.1	169.6	-64.5	-43	0	0	0	113.5	S659 T680 G684 S711 V715 Y872 I884 P917 V918	S659-F713 VanDerWaalsContact CB-CE2 3.47Å; S659-F713 VanDerWaalsContact CB-CZ 3.48Å; T680-F713 HydrophobicContact CG2-CE2 3.98Å; G684-F713 VanDerWaalsContact CA-CD2 3.47Å; G684-F713 VanDerWaalsContact O-CD2 3.3Å; G684-F713 WeakPolarHBondContact O-CD2 3.38Å; S711-F713 PolarHBondContact O-N 3.33Å; S711-F713 PolarHBondContact OG-N 3.07Å; F713-V715 HydrophobicContact CB-CG2 4.28Å; F713-Y872 HydrophobicContact CB-CD2 3.52Å; F713-Y872 HydrophobicContact CB-CE2 4.01Å; F713-Y872 HydrophobicContact CB-CG 3.92Å; F713-Y872 AromaticContact CD1-CD2 3.66Å; F713-Y872 HydrophobicContact CD1-CD2 3.66Å; F713-Y872 AromaticContact CD1-CE2 3.2Å; F713-Y872 HydrophobicContact CD1-CE2 3.2Å; F713-Y872 AromaticContact CD1-CZ 3.87Å; F713-Y872 HydrophobicContact CD2-CD2 4.42Å; F713-Y872 HydrophobicContact CD2-CE2 4.21Å; F713-Y872 HydrophobicContact CE1-CD2 4.46Å; F713-Y872 AromaticContact CE1-CE2 3.59Å; F713-Y872 HydrophobicContact CE1-CE2 3.59Å; F713-Y872 AromaticContact CE1-CZ 3.87Å; F713-Y872 HydrophobicContact CE2-CE2 4.49Å; F713-Y872 AromaticContact CG-CD2 3.64Å; F713-Y872 HydrophobicContact CG-CD2 3.64Å; F713-Y872 AromaticContact CG-CE2 3.56Å; F713-Y872 HydrophobicContact CG-CE2 3.56Å; F713-Y872 HydrophobicContact CG-CG 4.21Å; F713-Y872 HydrophobicContact CZ-CE2 4.21Å; F713-I884 HydrophobicContact CD1-CD1 3.93Å; F713-P917 HydrophobicContact CD1-CB 4.28Å; F713-P917 HydrophobicContact CD1-CG 3.46Å; F713-P917 VanDerWaalsContact CD1-CG 3.46Å; F713-P917 HydrophobicContact CE1-CB 3.97Å; F713-P917 HydrophobicContact CE1-CG 3.62Å; F713-V918 HydrophobicContact CD1-CG2 4.22Å; F713-V918 HydrophobicContact CE1-CG2 3.73Å
714	G	95.5	Very high	96.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	76	31	-179.4	0	0	0	0	0	113.5	S711 T712 C879 A880 E882	S711-G714 PolarHBondContact O-N 3.24Å; T712-G714 VanDerWaalsContact C-N 3.27Å; G714-C879 CarbonylContact O-C 3.59Å; G714-C879 WeakPolarHBondContact O-CA 3.4Å; G714-A880 WeakPolarHBondContact O-CB 3.41Å; G714-A880 PolarHBondContact O-N 2.85Å; G714-E882 WeakPolarHBondContact CA-O 3.31Å
715	V	95.1	Very high	96.3	Very high	5 Å²	5	23 Å²	23	3%	0.03	12%	0.121	C	C	.	.			trans	-131.7	141.8	178.9	-64.4	0	0	0	0	112.5	P710 S711 F713 D717	P710-V715 WeakPolarHBondContact CB-O 3.34Å; S711-V715 PolarHBondContact N-O 3.13Å; S711-V715 VanDerWaalsContact OG-CG2 3.25Å; S711-V715 WeakPolarHBondContact OG-CG2 3.23Å; S711-V715 PolarHBondContact OG-O 3.1Å; S711-V715 VanDerWaalsContact OG-O 3.06Å; F713-V715 HydrophobicContact CB-CG2 4.28Å; V715-D717 PolarHBondContact O-N 3.49Å
716	F	95.4	Very high	96.3	Very high	13 Å²	13	23.6 Å²	23.6	6%	0.057	13%	0.125	C	C	.	.			trans	-78.8	111.9	170.4	-74.1	-81.4	0	0	0	109.8	V96 I97 P98 Y709 P710 A743 L854 A880	V96-F716 HydrophobicContact CG1-CD2 3.92Å; V96-F716 HydrophobicContact CG1-CE2 3.84Å; V96-F716 WeakPolarHBondContact O-CD2 3.42Å; I97-F716 HydrophobicContact CD1-CE2 4.28Å; I97-F716 HydrophobicContact CD1-CZ 3.99Å; I97-F716 HydrophobicContact CG1-CD2 4.07Å; I97-F716 HydrophobicContact CG1-CE1 4.3Å; I97-F716 HydrophobicContact CG1-CE2 3.69Å; I97-F716 HydrophobicContact CG1-CZ 3.82Å; P98-F716 HydrophobicContact CG-CB 4.45Å; Y709-F716 HydrophobicContact CD1-CD1 4.21Å; Y709-F716 HydrophobicContact CD1-CE1 4.35Å; Y709-F716 AromaticContact CE1-CD1 3.45Å; Y709-F716 HydrophobicContact CE1-CD1 3.45Å; Y709-F716 VanDerWaalsContact CE1-CD1 3.45Å; Y709-F716 AromaticContact CE1-CE1 3.88Å; Y709-F716 HydrophobicContact CE1-CE1 3.88Å; Y709-F716 HydrophobicContact CE2-CD1 4.45Å; Y709-F716 AromaticContact CZ-CD1 3.6Å; P710-F716 HydrophobicContact CB-CD1 4.03Å; P710-F716 HydrophobicContact CB-CD2 4.37Å; P710-F716 HydrophobicContact CB-CE1 4.06Å; P710-F716 HydrophobicContact CB-CE2 4.39Å; P710-F716 HydrophobicContact CB-CG 4.19Å; P710-F716 HydrophobicContact CB-CZ 4.24Å; P710-F716 HydrophobicContact CG-CE1 4.27Å; P710-F716 HydrophobicContact CG-CZ 4.17Å; F716-A743 HydrophobicContact CE2-CB 4.48Å; F716-A743 HydrophobicContact CZ-CB 3.89Å; F716-L854 HydrophobicContact CE2-CD2 4.09Å; F716-A880 HydrophobicContact CD2-CB 3.8Å; F716-A880 HydrophobicContact CE2-CB 3.52Å; F716-A880 HydrophobicContact CZ-CB 4.33Å
717	D	92.2	Very high	96.3	Very high	15 Å²	15	23.6 Å²	23.6	8%	0.08	13%	0.125	C	C	.	.			trans	-72.7	127.4	172.7	-161.4	-28.4	0	0	0	109.9	S685 L686 Y709 V715 N719	S685-D717 WeakPolarHBondContact CA-OD2 3.34Å; S685-D717 WeakPolarHBondContact CB-OD2 3.29Å; L686-D717 PolarHBondContact N-OD2 2.61Å; Y709-D717 HydrophobicContact CE2-CB 4.18Å; Y709-D717 WeakPolarHBondContact CE2-O 3.3Å; Y709-D717 PolarHBondContact OH-O 3.35Å; V715-D717 PolarHBondContact O-N 3.49Å; D717-N719 VanDerWaalsContact C-N 3.3Å; D717-N719 PolarHBondContact OD1-N 3.06Å
718	S	92.4	Very high	96.3	Very high	79 Å²	79	26.5 Å²	26.5	55%	0.552	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-18.7	178.9	54.2	0	0	0	0	112.8
719	N	94.3	Very high	96.3	Very high	66 Å²	66	32.7 Å²	32.7	35%	0.353	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	3.3	-179.2	-64.8	-48.8	0	0	0	113.7	M688 D717 Q721 K722 V723	M688-N719 HydrophobicContact CE-CB 4.36Å; M688-N719 HydrophobicContact CG-CB 4.24Å; M688-N719 HydrophobicContact SD-CB 3.81Å; D717-N719 VanDerWaalsContact C-N 3.3Å; D717-N719 PolarHBondContact OD1-N 3.06Å; N719-Q721 VanDerWaalsContact C-N 3.31Å; N719-Q721 PolarHBondContact O-N 3.3Å; N719-K722 WeakPolarHBondContact O-CA 3.41Å; N719-K722 WeakPolarHBondContact O-CB 3.42Å; N719-K722 PolarHBondContact O-N 3.36Å; N719-V723 WeakPolarHBondContact O-CG2 3.47Å; N719-V723 PolarHBondContact O-N 3.14Å
720	V	96.1	Very high	96.4	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-38.5	-169.9	65.1	0	0	0	0	113.8	I707 Y709 K722 V723 C724 M736 I753	I707-V720 HydrophobicContact CD1-CG2 3.87Å; Y709-V720 HydrophobicContact CD2-CB 4.06Å; Y709-V720 HydrophobicContact CD2-CG1 4.33Å; Y709-V720 HydrophobicContact CD2-CG2 3.78Å; Y709-V720 HydrophobicContact CE1-CG1 4.33Å; Y709-V720 HydrophobicContact CE2-CB 3.62Å; Y709-V720 HydrophobicContact CE2-CG1 3.6Å; Y709-V720 HydrophobicContact CE2-CG2 3.88Å; Y709-V720 HydrophobicContact CG-CG2 4.34Å; V720-K722 VanDerWaalsContact C-N 3.32Å; V720-K722 PolarHBondContact O-N 2.84Å; V720-V723 WeakPolarHBondContact O-CB 3.48Å; V720-V723 PolarHBondContact O-N 3Å; V720-C724 PolarHBondContact O-N 3.23Å; V720-C724 PolarHBondContact O-SG 3.19Å; V720-M736 HydrophobicContact CG2-CE 4.39Å; V720-I753 HydrophobicContact CB-CG2 4.19Å; V720-I753 HydrophobicContact CG1-CG2 3.54Å; V720-I753 HydrophobicContact CG2-CG2 3.68Å
721	Q	97.4	Very high	96.4	Very high	60 Å²	60	34.2 Å²	34.2	28%	0.28	18%	0.182	S	C	.	.	H	α-helix	trans	-63.8	-40.9	175.8	-69.6	177.3	-66.6	0	0	110.6	S100 I101 N719 V723 C724 E725 I753	S100-Q721 VanDerWaalsContact CB-OE1 3.31Å; S100-Q721 PolarHBondContact OG-OE1 2.97Å; I101-Q721 HydrophobicContact CG2-CG 3.96Å; N719-Q721 VanDerWaalsContact C-N 3.31Å; N719-Q721 PolarHBondContact O-N 3.3Å; Q721-V723 VanDerWaalsContact C-N 3.34Å; Q721-V723 PolarHBondContact O-N 3.47Å; Q721-C724 WeakPolarHBondContact O-CB 3.37Å; Q721-C724 PolarHBondContact O-N 2.6Å; Q721-E725 WeakPolarHBondContact O-CG 3.37Å; Q721-E725 PolarHBondContact O-N 3.5Å; Q721-I753 HydrophobicContact CG-CG2 4.18Å
722	K	97.6	Very high	96.5	Very high	83 Å²	83	33.5 Å²	33.5	36%	0.361	18%	0.177	S	C	.	.	H	α-helix	trans	-66.1	-36.1	176.7	-171.9	56.7	-177.6	172.2	0	112.5	M688 N719 V720 E725 I726	M688-K722 HydrophobicContact CE-CB 4.32Å; M688-K722 HydrophobicContact CE-CG 4.02Å; N719-K722 WeakPolarHBondContact O-CA 3.41Å; N719-K722 WeakPolarHBondContact O-CB 3.42Å; N719-K722 PolarHBondContact O-N 3.36Å; V720-K722 VanDerWaalsContact C-N 3.32Å; V720-K722 PolarHBondContact O-N 2.84Å; K722-E725 HydrophobicContact CD-CB 4.45Å; K722-E725 WeakPolarHBondContact CD-OE2 3.22Å; K722-E725 IonicContact NZ-OE2 3.54Å; K722-E725 PolarHBondContact NZ-OE2 2.69Å; K722-E725 PolarHBondContact O-N 3.48Å; K722-I726 HydrophobicContact CD-CD1 4.48Å; K722-I726 HydrophobicContact CD-CG1 4.47Å; K722-I726 HydrophobicContact CG-CD1 4.03Å; K722-I726 VanDerWaalsContact O-CG1 3.29Å; K722-I726 WeakPolarHBondContact O-CG1 3.5Å; K722-I726 PolarHBondContact O-N 2.95Å
723	V	97.8	Very high	96.7	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-59.5	-47	172.1	174.2	0	0	0	0	110.5	L686 M688 L691 I705 I707 N719 V720 Q721 I726 I727	L686-V723 HydrophobicContact CD2-CG1 3.89Å; L686-V723 HydrophobicContact CD2-CG2 3.75Å; M688-V723 HydrophobicContact CE-CG2 3.88Å; M688-V723 HydrophobicContact SD-CG2 3.55Å; M688-V723 VanDerWaalsContact SD-CG2 3.55Å; L691-V723 HydrophobicContact CD2-CB 4.15Å; L691-V723 HydrophobicContact CD2-CG1 3.86Å; L691-V723 HydrophobicContact CD2-CG2 3.84Å; I705-V723 HydrophobicContact CD1-CG1 3.88Å; I707-V723 HydrophobicContact CG2-CG1 4.36Å; N719-V723 WeakPolarHBondContact O-CG2 3.47Å; N719-V723 PolarHBondContact O-N 3.14Å; V720-V723 WeakPolarHBondContact O-CB 3.48Å; V720-V723 PolarHBondContact O-N 3Å; Q721-V723 VanDerWaalsContact C-N 3.34Å; Q721-V723 PolarHBondContact O-N 3.47Å; V723-I726 PolarHBondContact O-N 3.07Å; V723-I727 VanDerWaalsContact O-CG1 3.31Å; V723-I727 WeakPolarHBondContact O-CG1 3.11Å; V723-I727 PolarHBondContact O-N 2.77Å
724	C	98.3	Very high	96.9	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-48.2	176.9	-60.9	0	0	0	0	111.4	V720 Q721 I726 I727 H728 V734	V720-C724 PolarHBondContact O-N 3.23Å; V720-C724 PolarHBondContact O-SG 3.19Å; Q721-C724 WeakPolarHBondContact O-CB 3.37Å; Q721-C724 PolarHBondContact O-N 2.6Å; C724-I726 PolarHBondContact O-N 3.41Å; C724-I727 PolarHBondContact O-N 2.61Å; C724-H728 VanDerWaalsContact O-CG 3.3Å; C724-H728 PolarHBondContact O-N 2.91Å; C724-V734 HydrophobicContact CB-CG2 4.12Å
725	E	98.2	Very high	97	Very high	93 Å²	93	33.7 Å²	33.7	44%	0.435	18%	0.178	S	C	.	.	H	α-helix	trans	-55.4	-51	177.5	-71.4	169.9	-166.3	0	0	112.4	Q721 K722 I727 H728 E729	Q721-E725 WeakPolarHBondContact O-CG 3.37Å; Q721-E725 PolarHBondContact O-N 3.5Å; K722-E725 HydrophobicContact CD-CB 4.45Å; K722-E725 WeakPolarHBondContact CD-OE2 3.22Å; K722-E725 IonicContact NZ-OE2 3.54Å; K722-E725 PolarHBondContact NZ-OE2 2.69Å; K722-E725 PolarHBondContact O-N 3.48Å; E725-I727 VanDerWaalsContact C-N 3.28Å; E725-I727 PolarHBondContact O-N 2.83Å; E725-H728 PolarHBondContact O-N 3.4Å; E725-E729 WeakPolarHBondContact O-CB 3.44Å; E725-E729 VanDerWaalsContact O-CG 3.31Å; E725-E729 WeakPolarHBondContact O-CG 3.36Å; E725-E729 PolarHBondContact O-N 2.68Å
726	I	98.4	Very high	97.2	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.072	18%	0.176	C	C	.	.	H	α-helix	trans	-57.8	-41.9	-178.9	-72.7	166.1	0	0	0	111.2	M688 L691 E692 T695 K722 V723 C724 A730	M688-I726 HydrophobicContact CE-CD1 3.63Å; L691-I726 HydrophobicContact CD2-CD1 4.39Å; E692-I726 HydrophobicContact CG-CD1 4.03Å; T695-I726 HydrophobicContact CG2-CG2 3.84Å; K722-I726 HydrophobicContact CD-CD1 4.48Å; K722-I726 HydrophobicContact CD-CG1 4.47Å; K722-I726 HydrophobicContact CG-CD1 4.03Å; K722-I726 VanDerWaalsContact O-CG1 3.29Å; K722-I726 WeakPolarHBondContact O-CG1 3.5Å; K722-I726 PolarHBondContact O-N 2.95Å; V723-I726 PolarHBondContact O-N 3.07Å; C724-I726 PolarHBondContact O-N 3.41Å; I726-A730 WeakPolarHBondContact O-CB 3.39Å; I726-A730 PolarHBondContact O-N 3.37Å
727	I	98.6	Very high	97.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-70.6	-42.1	-179.4	-64.7	-65.8	0	0	0	111.3	L655 L691 L702 I705 V723 C724 E725 A730 G731 G732 V734	L655-I727 HydrophobicContact CD1-CD1 3.87Å; L691-I727 HydrophobicContact CD1-CD1 4.18Å; L702-I727 HydrophobicContact CD2-CD1 3.99Å; I705-I727 HydrophobicContact CB-CD1 3.95Å; I705-I727 HydrophobicContact CB-CG1 3.98Å; I705-I727 HydrophobicContact CB-CG2 4.46Å; I705-I727 HydrophobicContact CD1-CD1 4.23Å; I705-I727 HydrophobicContact CD1-CG1 4.28Å; I705-I727 HydrophobicContact CG2-CB 4.32Å; I705-I727 HydrophobicContact CG2-CD1 4.3Å; I705-I727 HydrophobicContact CG2-CG1 3.75Å; I705-I727 HydrophobicContact CG2-CG2 4.08Å; V723-I727 VanDerWaalsContact O-CG1 3.31Å; V723-I727 WeakPolarHBondContact O-CG1 3.11Å; V723-I727 PolarHBondContact O-N 2.77Å; C724-I727 PolarHBondContact O-N 2.61Å; E725-I727 VanDerWaalsContact C-N 3.28Å; E725-I727 PolarHBondContact O-N 2.83Å; I727-A730 PolarHBondContact O-N 2.95Å; I727-G731 PolarHBondContact O-N 3.38Å; I727-G732 PolarHBondContact O-N 3.28Å; I727-V734 HydrophobicContact CB-CG2 4.12Å; I727-V734 HydrophobicContact CG2-CG2 4Å
728	H	98.6	Very high	97.6	Very high	71 Å²	71	32.3 Å²	32.3	33%	0.329	17%	0.171	S	C	.	.	H	α-helix	trans	-64.5	-42.8	175.9	-69.2	163.8	0	0	0	112.1	C724 E725 A730 G731 G754 D756	C724-H728 VanDerWaalsContact O-CG 3.3Å; C724-H728 PolarHBondContact O-N 2.91Å; E725-H728 PolarHBondContact O-N 3.4Å; H728-A730 PolarHBondContact O-N 3.26Å; H728-G731 WeakPolarHBondContact O-CA 3.22Å; H728-G731 PolarHBondContact O-N 3.09Å; H728-G754 PolarHBondContact CE1-O 3.13Å; H728-D756 IonicContact CD2-OD2 3.65Å; H728-D756 IonicContact CE1-OD1 2.67Å; H728-D756 IonicContact CE1-OD2 3.75Å; H728-D756 IonicContact NE2-OD1 3.32Å; H728-D756 PolarHBondContact NE2-OD1 2.85Å; H728-D756 IonicContact NE2-OD2 2.82Å; H728-D756 PolarHBondContact NE2-OD2 2.86Å
729	E	97.9	Very high	97.8	Very high	145 Å²	145	28.8 Å²	28.8	68%	0.678	15%	0.147	S	C	*	.	H	α-helix	trans	-60.4	-31.9	175.4	-76.2	176.3	-175.1	0	0	112.4	E725 G731	E725-E729 WeakPolarHBondContact O-CB 3.44Å; E725-E729 VanDerWaalsContact O-CG 3.31Å; E725-E729 WeakPolarHBondContact O-CG 3.36Å; E725-E729 PolarHBondContact O-N 2.68Å; E729-G731 VanDerWaalsContact C-N 3.29Å
730	A	97.8	Very high	98	Very high	7 Å²	7	25.7 Å²	25.7	6%	0.058	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.3	174.5	0	0	0	0	0	114.2	R651 T695 K699 L702 I726 I727 H728	R651-A730 PolarHBondContact NH1-O 2.94Å; T695-A730 HydrophobicContact CG2-CB 3.31Å; K699-A730 HydrophobicContact CG-CB 4.3Å; L702-A730 HydrophobicContact CD2-CB 3.67Å; I726-A730 WeakPolarHBondContact O-CB 3.39Å; I726-A730 PolarHBondContact O-N 3.37Å; I727-A730 PolarHBondContact O-N 2.95Å; H728-A730 PolarHBondContact O-N 3.26Å
731	G	97.2	Very high	98.1	Very high	29 Å²	29	25.4 Å²	25.4	30%	0.299	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	8.9	178.3	0	0	0	0	0	115	I727 H728 E729	I727-G731 PolarHBondContact O-N 3.38Å; H728-G731 WeakPolarHBondContact O-CA 3.22Å; H728-G731 PolarHBondContact O-N 3.09Å; E729-G731 VanDerWaalsContact C-N 3.29Å
732	G	98.3	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.			trans	-82.4	176.4	173.1	0	0	0	0	0	112.9	A703 I727	A703-G732 WeakPolarHBondContact O-CA 3.19Å; I727-G732 PolarHBondContact O-N 3.28Å
733	Q	98.8	Very high	98.2	Very high	14 Å²	14	18.7 Å²	18.7	7%	0.065	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.3	174.3	-63.7	-68.2	-84.1	0	0	111.3	I639 Y642 A703 A704 I705 D756 H785	I639-Q733 HydrophobicContact CB-CB 4.46Å; I639-Q733 HydrophobicContact CD1-CB 3.79Å; I639-Q733 HydrophobicContact CG1-CB 3.77Å; I639-Q733 HydrophobicContact CG1-CG 4.24Å; I639-Q733 HydrophobicContact CG2-CB 3.89Å; I639-Q733 HydrophobicContact CG2-CG 3.96Å; Y642-Q733 HydrophobicContact CD1-CG 4.3Å; Y642-Q733 HydrophobicContact CE1-CG 4.41Å; A703-Q733 PolarHBondContact O-N 3.22Å; A704-Q733 CarbonylContact C-O 3.06Å; A704-Q733 WeakPolarHBondContact CA-O 3.5Å; A704-Q733 WeakPolarHBondContact CB-O 3.08Å; I705-Q733 PolarHBondContact N-O 2.78Å; Q733-D756 WeakPolarHBondContact CA-OD2 3.37Å; Q733-D756 PolarHBondContact OE1-OD2 2.97Å; Q733-H785 PolarHBondContact OE1-CD2 3.23Å; Q733-H785 PolarHBondContact OE1-NE2 3.03Å
734	V	98.8	Very high	98.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113	-178.2	-178.2	0	0	0	0	109.5	I705 I707 C724 I727 S755 D756 V757	I705-V734 HydrophobicContact CG2-CB 4.28Å; I705-V734 HydrophobicContact CG2-CG1 4.06Å; I705-V734 HydrophobicContact CG2-CG2 4.08Å; I707-V734 HydrophobicContact CD1-CG1 4.03Å; I707-V734 HydrophobicContact CG1-CG1 4.28Å; C724-V734 HydrophobicContact CB-CG2 4.12Å; I727-V734 HydrophobicContact CB-CG2 4.12Å; I727-V734 HydrophobicContact CG2-CG2 4Å; V734-S755 PolarHBondContact O-OG 3.45Å; V734-D756 PolarHBondContact N-OD2 3.13Å; V734-D756 PolarHBondContact O-N 3.07Å; V734-V757 PolarHBondContact O-N 2.96Å
735	F	98.8	Very high	98.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.9	166.8	-176.2	-74.3	0	0	0	109.1	E632 L636 I639 I705 M706 I707 D737 V757 H759	E632-F735 HydrophobicContact CB-CZ 4.01Å; E632-F735 HydrophobicContact CG-CE1 4.09Å; E632-F735 HydrophobicContact CG-CZ 3.84Å; L636-F735 HydrophobicContact CD2-CB 4.36Å; L636-F735 HydrophobicContact CD2-CD2 4.23Å; L636-F735 HydrophobicContact CD2-CG 4.4Å; L636-F735 HydrophobicContact CG-CD2 4.46Å; I639-F735 HydrophobicContact CD1-CB 4.31Å; I705-F735 WeakPolarHBondContact O-CB 3.41Å; I705-F735 PolarHBondContact O-N 2.93Å; M706-F735 CarbonylContact C-O 3.56Å; M706-F735 WeakPolarHBondContact CA-O 3.47Å; M706-F735 HydrophobicContact CB-CD1 4.37Å; M706-F735 HydrophobicContact CE-CD1 3.72Å; M706-F735 HydrophobicContact CE-CE1 3.81Å; M706-F735 HydrophobicContact CE-CG 4.24Å; M706-F735 HydrophobicContact CE-CZ 4.41Å; M706-F735 HydrophobicContact CG-CB 4.03Å; M706-F735 HydrophobicContact CG-CD1 4.13Å; M706-F735 HydrophobicContact CG-CG 4.23Å; I707-F735 PolarHBondContact N-O 3.14Å; F735-D737 HydrophobicContact CE1-CB 4.28Å; F735-V757 CarbonylContact C-O 3.49Å; F735-V757 WeakPolarHBondContact CA-O 3.31Å; F735-V757 HydrophobicContact CB-CG1 4.09Å; F735-V757 HydrophobicContact CD2-CG1 3.68Å; F735-V757 HydrophobicContact CD2-CG2 4.16Å; F735-V757 HydrophobicContact CE2-CG2 4.21Å; F735-V757 HydrophobicContact CG-CG1 4.26Å; F735-H759 AromaticContact CE1-ND1 3.84Å; F735-H759 HydrophobicContact CZ-CB 4.15Å; F735-H759 AromaticContact CZ-ND1 3.62Å
736	M	98.6	Very high	98.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.5	172.2	-176	-177.5	-69.4	0	0	110.4	I707 Y709 V720 G738 P750 I753 S755 V757 S758	I707-M736 HydrophobicContact CD1-CE 4.02Å; I707-M736 HydrophobicContact CG1-CB 4.27Å; I707-M736 HydrophobicContact CG1-CG 4.39Å; I707-M736 CarbonylContact O-C 3.36Å; I707-M736 WeakPolarHBondContact O-CA 3.38Å; Y709-M736 HydrophobicContact CG-CE 4.29Å; V720-M736 HydrophobicContact CG2-CE 4.39Å; M736-G738 PolarHBondContact O-N 2.97Å; M736-P750 HydrophobicContact SD-CB 3.55Å; M736-P750 VanDerWaalsContact SD-CB 3.55Å; M736-P750 HydrophobicContact SD-CG 3.9Å; M736-I753 HydrophobicContact CE-CB 4.34Å; M736-I753 HydrophobicContact CE-CD1 4.31Å; M736-I753 HydrophobicContact CE-CG2 4.11Å; M736-S755 WeakPolarHBondContact CB-OG 3.4Å; M736-S755 PolarHBondContact N-OG 2.65Å; M736-V757 PolarHBondContact N-O 3.35Å; M736-S758 WeakPolarHBondContact O-CA 3.4Å; M736-S758 WeakPolarHBondContact O-CB 3.47Å; M736-S758 PolarHBondContact O-OG 2.91Å
737	D	98.2	Very high	98.2	Very high	4 Å²	4	14 Å²	14	2%	0.021	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	113.4	169.8	-179.8	-14.5	0	0	0	110.2	N664 I707 T708 F735 A739 H759	N664-D737 PolarHBondContact ND2-OD2 3.09Å; N664-D737 PolarHBondContact OD1-OD2 2.78Å; I707-D737 WeakPolarHBondContact O-CB 3.2Å; I707-D737 PolarHBondContact O-N 3.23Å; T708-D737 HydrophobicContact CG2-CB 4.17Å; F735-D737 HydrophobicContact CE1-CB 4.28Å; D737-A739 WeakPolarHBondContact OD1-CB 3.36Å; D737-A739 PolarHBondContact OD1-N 3.24Å; D737-H759 IonicContact OD1-CE1 3.33Å; D737-H759 PolarHBondContact OD1-CE1 2.74Å; D737-H759 IonicContact OD1-ND1 3.63Å; D737-H759 IonicContact OD1-NE2 3.25Å
738	G	97.4	Very high	98.2	Very high	1 Å²	1	14 Å²	14	1%	0.01	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	19.1	-177.8	0	0	0	0	0	114	M736 N740 L741 H759	M736-G738 PolarHBondContact O-N 2.97Å; G738-N740 PolarHBondContact O-N 3.34Å; G738-L741 VanDerWaalsContact O-CB 3.24Å; G738-L741 WeakPolarHBondContact O-CB 3.35Å; G738-L741 PolarHBondContact O-N 3.15Å; G738-H759 WeakPolarHBondContact CA-O 3.43Å; G738-H759 PolarHBondContact N-O 3.41Å
739	A	97.1	Very high	98.2	Very high	5 Å²	5	12.1 Å²	12.1	4%	0.041	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-31.7	171.8	0	0	0	0	0	112.7	D737 L741 N761 K764	D737-A739 WeakPolarHBondContact OD1-CB 3.36Å; D737-A739 PolarHBondContact OD1-N 3.24Å; A739-L741 VanDerWaalsContact C-N 3.35Å; A739-N761 WeakPolarHBondContact CA-OD1 3.47Å; A739-K764 HydrophobicContact CB-CD 4.41Å
740	N	98.1	Very high	98.2	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	19.1	-178.4	-72.7	7.5	0	0	0	113.1	T708 P710 S711 G738 N742 A743 H881 E882	T708-N740 HydrophobicContact CG2-CB 4.41Å; P710-N740 HydrophobicContact CG-CB 4.11Å; P710-N740 PolarHBondContact O-ND2 3.01Å; S711-N740 PolarHBondContact O-ND2 3.36Å; G738-N740 PolarHBondContact O-N 3.34Å; N740-N742 PolarHBondContact O-N 3.11Å; N740-N742 VanDerWaalsContact O-N 3.1Å; N740-A743 PolarHBondContact O-N 2.94Å; N740-H881 VanDerWaalsContact CG-CE1 3.41Å; N740-E882 PolarHBondContact ND2-OE1 3.13Å
741	L	98.2	Very high	98.3	Very high	2 Å²	2	5.1 Å²	5.1	1%	0.01	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-63.4	-18	-176.4	-165.5	73.3	0	0	0	113.1	I615 T616 G738 A739 A743 Q744 V745 P750 I760 T765 F766	I615-L741 HydrophobicContact CG2-CD2 4.34Å; T616-L741 HydrophobicContact CG2-CD2 4.24Å; G738-L741 VanDerWaalsContact O-CB 3.24Å; G738-L741 WeakPolarHBondContact O-CB 3.35Å; G738-L741 PolarHBondContact O-N 3.15Å; A739-L741 VanDerWaalsContact C-N 3.35Å; L741-A743 PolarHBondContact O-N 2.95Å; L741-A743 VanDerWaalsContact O-N 3.1Å; L741-Q744 HydrophobicContact CD1-CB 3.98Å; L741-Q744 HydrophobicContact CD1-CG 4.44Å; L741-Q744 PolarHBondContact O-N 3.07Å; L741-V745 HydrophobicContact CD2-CG2 4.33Å; L741-V745 HydrophobicContact CG-CG2 4.04Å; L741-V745 WeakPolarHBondContact O-CG2 3.32Å; L741-V745 PolarHBondContact O-N 3.1Å; L741-P750 HydrophobicContact CD1-CG 3.87Å; L741-I760 HydrophobicContact CD2-CB 4.43Å; L741-I760 HydrophobicContact CD2-CG2 3.87Å; L741-T765 HydrophobicContact CB-CG2 4.25Å; L741-F766 HydrophobicContact CD2-CE2 3.81Å; L741-F766 HydrophobicContact CD2-CZ 3.75Å
742	N	98.6	Very high	98.3	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-58.6	-25	175.6	-157.1	46.5	0	0	0	112.9	T569 K571 N740 Q744 T765 S850 E928	T569-N742 HydrophobicContact CG2-CB 3.91Å; T569-N742 WeakPolarHBondContact CG2-ND2 3.49Å; K571-N742 PolarHBondContact NZ-OD1 3.33Å; N740-N742 PolarHBondContact O-N 3.11Å; N740-N742 VanDerWaalsContact O-N 3.1Å; N742-Q744 VanDerWaalsContact C-N 3.33Å; N742-T765 HydrophobicContact CB-CG2 4.14Å; N742-S850 WeakPolarHBondContact O-CA 3.46Å; N742-S850 VanDerWaalsContact O-CB 3.24Å; N742-S850 WeakPolarHBondContact O-CB 3.44Å; N742-S850 PolarHBondContact O-OG 2.58Å; N742-E928 PolarHBondContact ND2-OE2 3.03Å
743	A	98.6	Very high	98.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-81	-8.4	174.1	0	0	0	0	0	114.1	P710 F716 N740 L741 L854 H881	P710-A743 HydrophobicContact CG-CB 3.68Å; F716-A743 HydrophobicContact CE2-CB 4.48Å; F716-A743 HydrophobicContact CZ-CB 3.89Å; N740-A743 PolarHBondContact O-N 2.94Å; L741-A743 PolarHBondContact O-N 2.95Å; L741-A743 VanDerWaalsContact O-N 3.1Å; A743-L854 HydrophobicContact CB-CD2 4.02Å; A743-H881 HydrophobicContact CB-CB 4Å
744	Q	98.6	Very high	98.2	Very high	1 Å²	1	8 Å²	8	1%	0.005	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-30.9	-170	-60.7	-166.6	50.1	0	0	114.6	Y709 L741 N742 G746 L747 C748	Y709-Q744 PolarHBondContact O-NE2 2.54Å; L741-Q744 HydrophobicContact CD1-CB 3.98Å; L741-Q744 HydrophobicContact CD1-CG 4.44Å; L741-Q744 PolarHBondContact O-N 3.07Å; N742-Q744 VanDerWaalsContact C-N 3.33Å; Q744-G746 PolarHBondContact O-N 2.67Å; Q744-G746 VanDerWaalsContact O-N 3.12Å; Q744-L747 WeakPolarHBondContact O-CA 3.34Å; Q744-L747 WeakPolarHBondContact O-CB 3.45Å; Q744-L747 PolarHBondContact O-N 3.43Å; Q744-C748 PolarHBondContact O-N 2.98Å
745	V	98.6	Very high	98.2	Very high	4 Å²	4	8 Å²	8	2%	0.024	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	119.4	-170	-178.1	0	0	0	0	111.6	L107 I615 L741 L747 T765 F766 L846 S850	L107-V745 HydrophobicContact CD1-CG1 4.28Å; I615-V745 HydrophobicContact CD1-CG1 4.48Å; I615-V745 HydrophobicContact CG1-CG1 4.39Å; I615-V745 HydrophobicContact CG2-CB 4.44Å; I615-V745 HydrophobicContact CG2-CG1 4.02Å; I615-V745 HydrophobicContact CG2-CG2 3.99Å; L741-V745 HydrophobicContact CD2-CG2 4.33Å; L741-V745 HydrophobicContact CG-CG2 4.04Å; L741-V745 WeakPolarHBondContact O-CG2 3.32Å; L741-V745 PolarHBondContact O-N 3.1Å; V745-L747 PolarHBondContact O-N 3.35Å; V745-T765 HydrophobicContact CG2-CG2 4.01Å; V745-F766 HydrophobicContact CG2-CE1 4.37Å; V745-F766 HydrophobicContact CG2-CZ 4.22Å; V745-L846 HydrophobicContact CG1-CB 3.9Å; V745-L846 HydrophobicContact CG1-CD2 4.37Å; V745-S850 WeakPolarHBondContact CB-OG 3.35Å; V745-S850 PolarHBondContact N-OG 2.76Å; V745-S850 WeakPolarHBondContact O-CB 3.27Å; V745-S850 PolarHBondContact O-OG 3.08Å
746	G	98.2	Very high	98.2	Very high	2 Å²	2	8.6 Å²	8.6	2%	0.021	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	3.6	-178.9	0	0	0	0	0	115.5	Q744	Q744-G746 PolarHBondContact O-N 2.67Å; Q744-G746 VanDerWaalsContact O-N 3.12Å
747	L	98.4	Very high	98.2	Very high	7 Å²	7	8.6 Å²	8.6	4%	0.037	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-43.1	-179.3	-60.3	177.7	0	0	0	112.8	I93 I97 L102 L103 Q744 V745 K847 Q851 L854	I93-L747 HydrophobicContact CD1-CD1 4.3Å; I93-L747 HydrophobicContact CG2-CD2 4.32Å; I97-L747 HydrophobicContact CD1-CB 3.82Å; I97-L747 HydrophobicContact CD1-CD1 3.77Å; I97-L747 HydrophobicContact CD1-CG 4.37Å; L102-L747 WeakPolarHBondContact CA-O 3.36Å; L103-L747 WeakPolarHBondContact CB-O 3.45Å; L103-L747 PolarHBondContact N-O 3.33Å; Q744-L747 WeakPolarHBondContact O-CA 3.34Å; Q744-L747 WeakPolarHBondContact O-CB 3.45Å; Q744-L747 PolarHBondContact O-N 3.43Å; V745-L747 PolarHBondContact O-N 3.35Å; L747-K847 HydrophobicContact CD2-CG 3.99Å; L747-Q851 HydrophobicContact CD1-CG 4.35Å; L747-Q851 HydrophobicContact CD2-CG 3.9Å; L747-L854 HydrophobicContact CD1-CD1 3.71Å
748	C	98	Very high	98.2	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.007	5%	0.05	C	C	.	.			trans	-151.8	165	173.5	59.4	0	0	0	0	109.3	I101 Q744	I101-C748 HydrophobicContact CB-CB 4.46Å; I101-C748 HydrophobicContact CD1-CB 4.19Å; I101-C748 HydrophobicContact CG1-CB 4.36Å; I101-C748 WeakPolarHBondContact O-CB 3.48Å; Q744-C748 PolarHBondContact O-N 2.98Å
749	R	98.5	Very high	98.3	Very high	31 Å²	31	8.5 Å²	8.5	12%	0.117	5%	0.05	C	C	.	.			trans	-130	124	-175.2	-57.6	-164.8	-60.2	158.8	9.7	110.3	L103 R105 E614 I615 A751 D752 I753	L103-R749 HydrophobicContact CD1-CG 4.38Å; L103-R749 HydrophobicContact CD2-CG 4.32Å; R105-R749 VanDerWaalsContact NH2-NH1 3.12Å; E614-R749 WeakPolarHBondContact O-CD 3.39Å; E614-R749 PolarHBondContact O-NH1 3.48Å; E614-R749 IonicContact OE2-NH1 3.3Å; I615-R749 WeakPolarHBondContact O-CG 3.32Å; R749-A751 PolarHBondContact O-N 3.48Å; R749-A751 VanDerWaalsContact O-N 3.08Å; R749-D752 HydrophobicContact CB-CB 4.27Å; R749-D752 IonicContact CZ-OD1 2.72Å; R749-D752 IonicContact CZ-OD2 2.76Å; R749-D752 IonicContact NE-OD1 3.6Å; R749-D752 IonicContact NE-OD2 3.8Å; R749-D752 PolarHBondContact NE-OD2 2.94Å; R749-D752 IonicContact NH2-OD1 3.12Å; R749-D752 PolarHBondContact NH2-OD1 3.08Å; R749-D752 IonicContact NH2-OD2 3.83Å; R749-D752 PolarHBondContact NH2-OD2 3.24Å; R749-D752 PolarHBondContact O-N 3.09Å; R749-I753 PolarHBondContact O-N 3.44Å
750	P	98.3	Very high	98.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-46.1	-42.8	-179.2	-35	38.1	0	0	0	114.7	T616 Y618 M736 L741 D752 I753 G754 S755	T616-P750 WeakPolarHBondContact O-CD 3.08Å; Y618-P750 HydrophobicContact CE2-CB 4.01Å; M736-P750 HydrophobicContact SD-CB 3.55Å; M736-P750 VanDerWaalsContact SD-CB 3.55Å; M736-P750 HydrophobicContact SD-CG 3.9Å; L741-P750 HydrophobicContact CD1-CG 3.87Å; P750-D752 VanDerWaalsContact C-N 3.33Å; P750-D752 PolarHBondContact O-N 2.95Å; P750-I753 WeakPolarHBondContact O-CB 3.46Å; P750-I753 PolarHBondContact O-N 3.13Å; P750-G754 PolarHBondContact O-N 3.44Å; P750-S755 VanDerWaalsContact O-CB 3.26Å; P750-S755 WeakPolarHBondContact O-CB 3.44Å; P750-S755 PolarHBondContact O-N 3.19Å; P750-S755 VanDerWaalsContact O-N 3.13Å
751	A	98.4	Very high	98.3	Very high	5 Å²	5	8.6 Å²	8.6	4%	0.041	5%	0.05	C	C	.	.	H	α-helix	trans	-76.3	-19.2	-175.6	0	0	0	0	0	113.7	T616 G617 Y618 R749 K783	T616-A751 WeakPolarHBondContact O-CB 3.46Å; T616-A751 PolarHBondContact O-N 3.38Å; T616-A751 VanDerWaalsContact O-N 3.09Å; G617-A751 WeakPolarHBondContact O-CB 3.39Å; Y618-A751 HydrophobicContact CD1-CB 3.63Å; Y618-A751 HydrophobicContact CD2-CB 4.31Å; Y618-A751 HydrophobicContact CE1-CB 3.75Å; Y618-A751 HydrophobicContact CE2-CB 4.42Å; Y618-A751 HydrophobicContact CG-CB 3.92Å; R749-A751 PolarHBondContact O-N 3.48Å; R749-A751 VanDerWaalsContact O-N 3.08Å; A751-K783 HydrophobicContact CB-CD 4.4Å; A751-K783 VanDerWaalsContact O-CE 3.26Å; A751-K783 WeakPolarHBondContact O-CE 3.32Å; A751-K783 PolarHBondContact O-NZ 3.23Å
752	D	97.8	Very high	98.3	Very high	78 Å²	78	8.5 Å²	8.5	42%	0.417	5%	0.05	S	C	.	.	H	α-helix	trans	-83.7	-23.2	172.4	-65.6	-11.6	0	0	0	111.2	R749 P750 G754	R749-D752 HydrophobicContact CB-CB 4.27Å; R749-D752 IonicContact CZ-OD1 2.72Å; R749-D752 IonicContact CZ-OD2 2.76Å; R749-D752 IonicContact NE-OD1 3.6Å; R749-D752 IonicContact NE-OD2 3.8Å; R749-D752 PolarHBondContact NE-OD2 2.94Å; R749-D752 IonicContact NH2-OD1 3.12Å; R749-D752 PolarHBondContact NH2-OD1 3.08Å; R749-D752 IonicContact NH2-OD2 3.83Å; R749-D752 PolarHBondContact NH2-OD2 3.24Å; R749-D752 PolarHBondContact O-N 3.09Å; P750-D752 VanDerWaalsContact C-N 3.33Å; P750-D752 PolarHBondContact O-N 2.95Å; D752-G754 VanDerWaalsContact C-N 3.28Å
753	I	97.6	Very high	98.3	Very high	5 Å²	5	8.5 Å²	8.5	3%	0.026	5%	0.049	C	C	.	.	H	α-helix	trans	-73.6	-22.6	174.1	-62	170.5	0	0	0	111.5	I101 Y709 V720 Q721 M736 R749 P750	I101-I753 HydrophobicContact CB-CD1 4.47Å; I101-I753 HydrophobicContact CB-CG1 4.08Å; I101-I753 HydrophobicContact CD1-CD1 4.12Å; I101-I753 HydrophobicContact CG2-CG1 3.93Å; Y709-I753 HydrophobicContact CD1-CD1 3.78Å; Y709-I753 HydrophobicContact CE1-CD1 3.77Å; V720-I753 HydrophobicContact CB-CG2 4.19Å; V720-I753 HydrophobicContact CG1-CG2 3.54Å; V720-I753 HydrophobicContact CG2-CG2 3.68Å; Q721-I753 HydrophobicContact CG-CG2 4.18Å; M736-I753 HydrophobicContact CE-CB 4.34Å; M736-I753 HydrophobicContact CE-CD1 4.31Å; M736-I753 HydrophobicContact CE-CG2 4.11Å; R749-I753 PolarHBondContact O-N 3.44Å; P750-I753 WeakPolarHBondContact O-CB 3.46Å; P750-I753 PolarHBondContact O-N 3.13Å
754	G	97.9	Very high	98.3	Very high	22 Å²	22	9.1 Å²	9.1	23%	0.227	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.9	9	-179.2	0	0	0	0	0	114.4	H728 P750 D752	H728-G754 PolarHBondContact CE1-O 3.13Å; P750-G754 PolarHBondContact O-N 3.44Å; D752-G754 VanDerWaalsContact C-N 3.28Å
755	S	98.6	Very high	98.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.052	C	C	.	.			trans	-71.5	138.6	173.7	-172.3	0	0	0	0	111.8	Y618 V734 M736 P750 V757	Y618-S755 WeakPolarHBondContact CE1-O 3.34Å; Y618-S755 WeakPolarHBondContact OH-CB 3.36Å; Y618-S755 PolarHBondContact OH-OG 3.23Å; V734-S755 PolarHBondContact O-OG 3.45Å; M736-S755 WeakPolarHBondContact CB-OG 3.4Å; M736-S755 PolarHBondContact N-OG 2.65Å; P750-S755 VanDerWaalsContact O-CB 3.26Å; P750-S755 WeakPolarHBondContact O-CB 3.44Å; P750-S755 PolarHBondContact O-N 3.19Å; P750-S755 VanDerWaalsContact O-N 3.13Å; S755-V757 PolarHBondContact OG-O 2.93Å
756	D	98.8	Very high	98.3	Very high	12 Å²	12	9 Å²	9	6%	0.064	5%	0.051	C	C	.	.	S	Bend	trans	-89.2	-33.6	177.5	-62.3	-63.4	0	0	0	112.1	Y618 H728 Q733 V734 V782 K783 H785 L786	Y618-D756 VanDerWaalsContact CE1-C 3.49Å; Y618-D756 WeakPolarHBondContact CE1-O 3.3Å; H728-D756 IonicContact CD2-OD2 3.65Å; H728-D756 IonicContact CE1-OD1 2.67Å; H728-D756 IonicContact CE1-OD2 3.75Å; H728-D756 IonicContact NE2-OD1 3.32Å; H728-D756 PolarHBondContact NE2-OD1 2.85Å; H728-D756 IonicContact NE2-OD2 2.82Å; H728-D756 PolarHBondContact NE2-OD2 2.86Å; Q733-D756 WeakPolarHBondContact CA-OD2 3.37Å; Q733-D756 PolarHBondContact OE1-OD2 2.97Å; V734-D756 PolarHBondContact N-OD2 3.13Å; V734-D756 PolarHBondContact O-N 3.07Å; D756-V782 WeakPolarHBondContact O-CA 3.38Å; D756-K783 PolarHBondContact O-N 2.94Å; D756-H785 IonicContact OD1-CE1 2.82Å; D756-H785 PolarHBondContact OD1-CE1 3.49Å; D756-H785 IonicContact OD1-NE2 3.91Å; D756-L786 HydrophobicContact CB-CD1 3.92Å
757	V	98.7	Very high	98.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	143	-178.1	53.3	0	0	0	0	111.6	Y618 I639 V734 F735 M736 S755 V780 C781 V782 L786	Y618-V757 PolarHBondContact OH-O 3.31Å; I639-V757 HydrophobicContact CD1-CG1 3.61Å; I639-V757 HydrophobicContact CG1-CG1 4Å; V734-V757 PolarHBondContact O-N 2.96Å; F735-V757 CarbonylContact C-O 3.49Å; F735-V757 WeakPolarHBondContact CA-O 3.31Å; F735-V757 HydrophobicContact CB-CG1 4.09Å; F735-V757 HydrophobicContact CD2-CG1 3.68Å; F735-V757 HydrophobicContact CD2-CG2 4.16Å; F735-V757 HydrophobicContact CE2-CG2 4.21Å; F735-V757 HydrophobicContact CG-CG1 4.26Å; M736-V757 PolarHBondContact N-O 3.35Å; S755-V757 PolarHBondContact OG-O 2.93Å; V757-V780 HydrophobicContact CG2-CG2 3.61Å; V757-C781 CarbonylContact C-O 3.51Å; V757-C781 VanDerWaalsContact CA-O 3.23Å; V757-C781 WeakPolarHBondContact CA-O 3.48Å; V757-C781 WeakPolarHBondContact CG2-O 3.36Å; V757-V782 HydrophobicContact CB-CG1 4Å; V757-V782 HydrophobicContact CG2-CG1 3.66Å; V757-L786 HydrophobicContact CB-CD1 3.86Å; V757-L786 HydrophobicContact CG1-CD1 3.99Å
758	S	98.7	Very high	98.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.4	168.9	-70	0	0	0	0	110.6	Y618 M736 V780 C781	Y618-S758 WeakPolarHBondContact OH-CB 3.44Å; Y618-S758 PolarHBondContact OH-N 3.22Å; Y618-S758 PolarHBondContact OH-OG 2.89Å; M736-S758 WeakPolarHBondContact O-CA 3.4Å; M736-S758 WeakPolarHBondContact O-CB 3.47Å; M736-S758 PolarHBondContact O-OG 2.91Å; S758-V780 CarbonylContact O-C 3.02Å; S758-V780 WeakPolarHBondContact O-CA 3.48Å; S758-C781 PolarHBondContact N-O 2.85Å; S758-C781 PolarHBondContact O-N 2.87Å
759	H	98.4	Very high	98.4	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.009	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	157.2	150.7	86	-88.2	0	0	0	109.7	G628 E632 F735 D737 G738 N761 P779	G628-H759 VanDerWaalsContact CA-CD2 3.4Å; G628-H759 WeakPolarHBondContact CA-CD2 3.28Å; G628-H759 PolarHBondContact O-CD2 3.44Å; E632-H759 VanDerWaalsContact CG-ND1 3.32Å; E632-H759 WeakPolarHBondContact CG-ND1 3.31Å; E632-H759 IonicContact OE1-CE1 3.62Å; E632-H759 PolarHBondContact OE1-CE1 3.41Å; F735-H759 AromaticContact CE1-ND1 3.84Å; F735-H759 HydrophobicContact CZ-CB 4.15Å; F735-H759 AromaticContact CZ-ND1 3.62Å; D737-H759 IonicContact OD1-CE1 3.33Å; D737-H759 PolarHBondContact OD1-CE1 2.74Å; D737-H759 IonicContact OD1-ND1 3.63Å; D737-H759 IonicContact OD1-NE2 3.25Å; G738-H759 WeakPolarHBondContact CA-O 3.43Å; G738-H759 PolarHBondContact N-O 3.41Å; H759-N761 PolarHBondContact CD2-OD1 3.35Å; H759-N761 VanDerWaalsContact CD2-OD1 3.31Å; H759-N761 PolarHBondContact NE2-OD1 2.84Å; H759-P779 CarbonylContact C-O 3.57Å; H759-P779 VanDerWaalsContact CA-O 3.24Å; H759-P779 WeakPolarHBondContact CA-O 3.4Å
760	I	97.3	Very high	98.4	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.9	169.6	67.3	179.1	0	0	0	109.9	I612 T616 L741 L762 F766 G778 P779	I612-I760 HydrophobicContact CB-CD1 4.46Å; I612-I760 HydrophobicContact CD1-CD1 3.8Å; I612-I760 HydrophobicContact CG1-CD1 3.98Å; I612-I760 HydrophobicContact CG2-CD1 3.58Å; T616-I760 HydrophobicContact CG2-CG2 4.23Å; L741-I760 HydrophobicContact CD2-CB 4.43Å; L741-I760 HydrophobicContact CD2-CG2 3.87Å; I760-L762 HydrophobicContact CD1-CD2 3.68Å; I760-L762 HydrophobicContact CG1-CD2 4.07Å; I760-F766 HydrophobicContact CD1-CD2 4.45Å; I760-F766 HydrophobicContact CD1-CE2 3.97Å; I760-G778 CarbonylContact O-C 3.59Å; I760-G778 VanDerWaalsContact O-CA 3.23Å; I760-G778 WeakPolarHBondContact O-CA 3.26Å; I760-P779 HydrophobicContact CD1-CB 4.11Å; I760-P779 HydrophobicContact CD1-CG 4.12Å; I760-P779 HydrophobicContact CG1-CB 3.88Å; I760-P779 HydrophobicContact CG1-CG 3.94Å; I760-P779 PolarHBondContact N-O 3.34Å; I760-P779 WeakPolarHBondContact O-CD 3.24Å
761	N	98.5	Very high	98.4	Very high	7 Å²	7	7.5 Å²	7.5	4%	0.037	5%	0.046	C	C	.	.			trans	-99.8	101.1	175.2	-67.1	65.7	0	0	0	110.7	A739 H759 H763 K764 T765	A739-N761 WeakPolarHBondContact CA-OD1 3.47Å; H759-N761 PolarHBondContact CD2-OD1 3.35Å; H759-N761 VanDerWaalsContact CD2-OD1 3.31Å; H759-N761 PolarHBondContact NE2-OD1 2.84Å; N761-H763 PolarHBondContact ND2-CE1 3.14Å; N761-H763 PolarHBondContact ND2-NE2 3.31Å; N761-H763 VanDerWaalsContact ND2-NE2 3.16Å; N761-H763 PolarHBondContact O-N 2.77Å; N761-K764 HydrophobicContact CB-CB 3.77Å; N761-K764 HydrophobicContact CB-CD 3.73Å; N761-K764 HydrophobicContact CB-CG 3.61Å; N761-K764 PolarHBondContact O-N 3.19Å; N761-T765 PolarHBondContact O-N 2.87Å
762	L	98.7	Very high	98.3	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62.7	-27.9	175.9	-62.7	-167.9	0	0	0	112.7	I612 I760 K764 F766 S767 I768 C777 P779 L831	I612-L762 HydrophobicContact CD1-CD2 4.43Å; I760-L762 HydrophobicContact CD1-CD2 3.68Å; I760-L762 HydrophobicContact CG1-CD2 4.07Å; L762-K764 PolarHBondContact O-N 3.33Å; L762-F766 HydrophobicContact CD2-CB 4.01Å; L762-F766 HydrophobicContact CD2-CD2 3.49Å; L762-F766 VanDerWaalsContact CD2-CD2 3.49Å; L762-F766 HydrophobicContact CD2-CE2 4.27Å; L762-F766 HydrophobicContact CD2-CG 4.01Å; L762-F766 CarbonylContact O-C 3.56Å; L762-F766 WeakPolarHBondContact O-CA 3.3Å; L762-F766 PolarHBondContact O-N 2.91Å; L762-S767 PolarHBondContact O-N 3.25Å; L762-I768 HydrophobicContact CB-CD1 3.51Å; L762-I768 HydrophobicContact CB-CG1 4.12Å; L762-I768 HydrophobicContact CD1-CD1 4.11Å; L762-I768 HydrophobicContact CG-CD1 4.46Å; L762-I768 PolarHBondContact O-N 3.13Å; L762-I768 VanDerWaalsContact O-N 3.13Å; L762-C777 HydrophobicContact CB-CB 4.12Å; L762-C777 HydrophobicContact CD1-CB 3.82Å; L762-C777 HydrophobicContact CG-CB 4.16Å; L762-C777 PolarHBondContact N-O 3.21Å; L762-C777 VanDerWaalsContact N-O 3.13Å; L762-P779 HydrophobicContact CD1-CG 3.81Å; L762-P779 HydrophobicContact CD2-CG 4.13Å; L762-P779 HydrophobicContact CG-CG 3.82Å; L762-L831 HydrophobicContact CD1-CD2 4.07Å
763	H	98.4	Very high	98.3	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-83.8	8.4	176.4	59.9	-74.6	0	0	0	114.5	T392 N761 I768 H770 G776 C777	T392-H763 PolarHBondContact OG1-NE2 3.37Å; T392-H763 VanDerWaalsContact OG1-NE2 3.09Å; N761-H763 PolarHBondContact ND2-CE1 3.14Å; N761-H763 PolarHBondContact ND2-NE2 3.31Å; N761-H763 VanDerWaalsContact ND2-NE2 3.16Å; N761-H763 PolarHBondContact O-N 2.77Å; H763-I768 CarbonylContact C-O 3.57Å; H763-I768 VanDerWaalsContact CA-O 3.24Å; H763-I768 WeakPolarHBondContact CA-O 3.47Å; H763-I768 HydrophobicContact CB-CB 3.95Å; H763-I768 HydrophobicContact CB-CG2 3.81Å; H763-H770 PolarHBondContact O-CE1 3.25Å; H763-H770 PolarHBondContact O-NE2 3.34Å; H763-G776 WeakPolarHBondContact ND1-CA 3.23Å; H763-C777 PolarHBondContact ND1-O 3.42Å
764	K	98.6	Very high	98.3	Very high	14 Å²	14	3.3 Å²	3.3	6%	0.061	2%	0.023	C	C	.	.	H	α-helix	trans	-121	-68.7	169.5	-60.9	-174.5	-176.5	179.6	0	108.6	S567 C568 T569 K571 A739 N761 L762	S567-K764 WeakPolarHBondContact O-CD 3.27Å; S567-K764 WeakPolarHBondContact O-CE 3.36Å; S567-K764 PolarHBondContact O-NZ 3.25Å; C568-K764 WeakPolarHBondContact O-CG 3.23Å; T569-K764 WeakPolarHBondContact CG2-O 3.24Å; K571-K764 VanDerWaalsContact CE-O 3.31Å; K571-K764 WeakPolarHBondContact CE-O 3.26Å; A739-K764 HydrophobicContact CB-CD 4.41Å; N761-K764 HydrophobicContact CB-CB 3.77Å; N761-K764 HydrophobicContact CB-CD 3.73Å; N761-K764 HydrophobicContact CB-CG 3.61Å; N761-K764 PolarHBondContact O-N 3.19Å; L762-K764 PolarHBondContact O-N 3.33Å
765	T	98.5	Very high	98.3	Very high	1 Å²	1	2.4 Å²	2.4	1%	0.006	1%	0.013	C	C	.	.	H	α-helix	trans	-77.5	-28.8	-171.1	-46.5	0	0	0	0	113.7	K571 L741 N742 V745 N761	K571-T765 VanDerWaalsContact CE-O 3.3Å; K571-T765 WeakPolarHBondContact CE-O 3.43Å; K571-T765 PolarHBondContact NZ-O 2.93Å; L741-T765 HydrophobicContact CB-CG2 4.25Å; N742-T765 HydrophobicContact CB-CG2 4.14Å; V745-T765 HydrophobicContact CG2-CG2 4.01Å; N761-T765 PolarHBondContact O-N 2.87Å
766	F	98.6	Very high	98.1	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	41.1	-167.9	-55.1	-77.8	0	0	0	113.4	I615 L741 V745 I760 L762 I768 S834 Y837 M838	I615-F766 HydrophobicContact CD1-CE1 4.05Å; I615-F766 HydrophobicContact CD1-CZ 4.45Å; I615-F766 HydrophobicContact CG2-CZ 4.36Å; L741-F766 HydrophobicContact CD2-CE2 3.81Å; L741-F766 HydrophobicContact CD2-CZ 3.75Å; V745-F766 HydrophobicContact CG2-CE1 4.37Å; V745-F766 HydrophobicContact CG2-CZ 4.22Å; I760-F766 HydrophobicContact CD1-CD2 4.45Å; I760-F766 HydrophobicContact CD1-CE2 3.97Å; L762-F766 HydrophobicContact CD2-CB 4.01Å; L762-F766 HydrophobicContact CD2-CD2 3.49Å; L762-F766 VanDerWaalsContact CD2-CD2 3.49Å; L762-F766 HydrophobicContact CD2-CE2 4.27Å; L762-F766 HydrophobicContact CD2-CG 4.01Å; L762-F766 CarbonylContact O-C 3.56Å; L762-F766 WeakPolarHBondContact O-CA 3.3Å; L762-F766 PolarHBondContact O-N 2.91Å; F766-I768 VanDerWaalsContact C-N 3.27Å; F766-I768 PolarHBondContact O-N 3.12Å; F766-S834 WeakPolarHBondContact CB-OG 3.29Å; F766-S834 WeakPolarHBondContact O-CA 3.41Å; F766-S834 PolarHBondContact O-OG 3.22Å; F766-Y837 HydrophobicContact CB-CD1 4.31Å; F766-Y837 AromaticContact CD1-CD1 3.85Å; F766-Y837 HydrophobicContact CD1-CD1 3.85Å; F766-Y837 AromaticContact CD1-CE1 3.75Å; F766-Y837 HydrophobicContact CD1-CE1 3.75Å; F766-Y837 HydrophobicContact CE1-CE1 4.43Å; F766-M838 HydrophobicContact CD1-CE 3.35Å; F766-M838 HydrophobicContact CE1-CE 3.39Å; F766-M838 HydrophobicContact CG-CE 4.01Å; F766-M838 HydrophobicContact CZ-CE 4.05Å
767	S	98.2	Very high	98.1	Very high	1 Å²	1	2 Å²	2	1%	0.007	1%	0.011	C	C	.	.			trans	63.1	2.7	164.5	-51.7	0	0	0	0	118.9	L572 N573 E577 L762 I833 Y837	L572-S767 PolarHBondContact O-OG 3.22Å; N573-S767 PolarHBondContact ND2-O 2.98Å; E577-S767 WeakPolarHBondContact OE2-CB 3.42Å; E577-S767 PolarHBondContact OE2-OG 3.3Å; L762-S767 PolarHBondContact O-N 3.25Å; S767-I833 WeakPolarHBondContact O-CG2 3.46Å; S767-Y837 WeakPolarHBondContact OG-CD2 3.5Å
768	I	98.6	Very high	98.1	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.011	C	C	.	.			trans	-58.9	132.5	168.3	-67.4	179.8	0	0	0	108.4	L762 H763 F766 C777 L830 I833	L762-I768 HydrophobicContact CB-CD1 3.51Å; L762-I768 HydrophobicContact CB-CG1 4.12Å; L762-I768 HydrophobicContact CD1-CD1 4.11Å; L762-I768 HydrophobicContact CG-CD1 4.46Å; L762-I768 PolarHBondContact O-N 3.13Å; L762-I768 VanDerWaalsContact O-N 3.13Å; H763-I768 CarbonylContact C-O 3.57Å; H763-I768 VanDerWaalsContact CA-O 3.24Å; H763-I768 WeakPolarHBondContact CA-O 3.47Å; H763-I768 HydrophobicContact CB-CB 3.95Å; H763-I768 HydrophobicContact CB-CG2 3.81Å; F766-I768 VanDerWaalsContact C-N 3.27Å; F766-I768 PolarHBondContact O-N 3.12Å; I768-C777 HydrophobicContact CD1-CB 4.04Å; I768-L830 HydrophobicContact CD1-CB 3.78Å; I768-L830 HydrophobicContact CG1-CB 4.34Å; I768-L830 HydrophobicContact CG2-CD1 4.11Å; I768-I833 HydrophobicContact CG1-CB 4.1Å; I768-I833 HydrophobicContact CG1-CD1 4.11Å; I768-I833 HydrophobicContact CG1-CG2 4.27Å
769	P	98.3	Very high	98	Very high	7 Å²	7	2 Å²	2	5%	0.045	1%	0.011	C	C	.	.			trans	-69	143.8	-175.7	27.7	-35.6	0	0	0	112.8	Y160 N573 L578 G771	Y160-P769 HydrophobicContact CD2-CB 3.54Å; Y160-P769 HydrophobicContact CD2-CG 4.3Å; Y160-P769 HydrophobicContact CE2-CB 4.39Å; Y160-P769 HydrophobicContact CG-CB 4.11Å; Y160-P769 WeakPolarHBondContact O-CB 3.27Å; N573-P769 HydrophobicContact CB-CB 4.38Å; N573-P769 WeakPolarHBondContact ND2-CA 3.32Å; L578-P769 HydrophobicContact CD2-CG 3.92Å; P769-G771 VanDerWaalsContact C-N 3.29Å; P769-G771 PolarHBondContact O-N 2.85Å
770	H	98.6	Very high	98	Very high	1 Å²	1	1.9 Å²	1.9	1%	0.005	1%	0.01	C	C	.	.			trans	-66.8	-24.5	-177.7	-67.1	79.1	0	0	0	114.1	Y160 S162 Y163 C568 T569 M570 H763 G772 G773 G774	Y160-H770 PolarHBondContact O-N 3.02Å; S162-H770 CarbonylContact O-C 3.46Å; S162-H770 VanDerWaalsContact O-CB 3.27Å; S162-H770 WeakPolarHBondContact O-CB 3.31Å; Y163-H770 HydrophobicContact CD2-CB 3.58Å; Y163-H770 AromaticContact CD2-CD2 3.8Å; Y163-H770 HydrophobicContact CE2-CB 4.39Å; Y163-H770 HydrophobicContact CG-CB 3.92Å; Y163-H770 AromaticContact CG-CD2 3.73Å; C568-H770 PolarHBondContact O-NE2 3.19Å; T569-H770 PolarHBondContact O-CE1 2.77Å; T569-H770 VanDerWaalsContact O-CE1 3.31Å; M570-H770 HydrophobicContact CE-CB 4.28Å; M570-H770 HydrophobicContact SD-CB 4.49Å; M570-H770 PolarHBondContact SD-CD2 3.47Å; M570-H770 PolarHBondContact SD-NE2 2.92Å; H763-H770 PolarHBondContact O-CE1 3.25Å; H763-H770 PolarHBondContact O-NE2 3.34Å; H770-G772 VanDerWaalsContact C-N 3.32Å; H770-G772 PolarHBondContact O-N 2.91Å; H770-G773 CarbonylContact O-C 3.5Å; H770-G773 PolarHBondContact O-N 3.49Å; H770-G774 PolarHBondContact O-N 3Å
771	G	98.1	Very high	98.1	Very high	1 Å²	1	1.8 Å²	1.8	1%	0.01	1%	0.01	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	25.2	166.3	0	0	0	0	0	116	Y160 S162 L396 P769 G773 G774	Y160-G771 WeakPolarHBondContact O-CA 3.47Å; Y160-G771 PolarHBondContact O-N 2.97Å; S162-G771 PolarHBondContact O-N 3.05Å; L396-G771 WeakPolarHBondContact CB-O 3.45Å; L396-G771 PolarHBondContact N-O 2.73Å; P769-G771 VanDerWaalsContact C-N 3.29Å; P769-G771 PolarHBondContact O-N 2.85Å; G771-G773 PolarHBondContact O-N 2.91Å; G771-G774 CarbonylContact C-O 3.55Å; G771-G774 WeakPolarHBondContact CA-O 3.25Å
772	G	97.5	Very high	98.1	Very high	1 Å²	1	1.5 Å²	1.5	1%	0.01	1%	0.008	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	13.4	-173.6	0	0	0	0	0	113.8	S162 Y163 H770	S162-G772 WeakPolarHBondContact O-CA 3.34Å; S162-G772 PolarHBondContact O-N 3.49Å; Y163-G772 CarbonylContact O-C 3.56Å; Y163-G772 VanDerWaalsContact O-C 3.26Å; Y163-G772 VanDerWaalsContact O-CA 3.3Å; Y163-G772 WeakPolarHBondContact O-CA 3.36Å; H770-G772 VanDerWaalsContact C-N 3.32Å; H770-G772 PolarHBondContact O-N 2.91Å
773	G	97.1	Very high	98.1	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	125	20.9	-175.5	0	0	0	0	0	114.9	R356 A393 H770 G771	R356-G773 PolarHBondContact NH2-O 3.37Å; A393-G773 PolarHBondContact N-O 3.32Å; H770-G773 CarbonylContact O-C 3.5Å; H770-G773 PolarHBondContact O-N 3.49Å; G771-G773 PolarHBondContact O-N 2.91Å
774	G	97.6	Very high	98	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.039	C	C	.	.			trans	147.1	140.8	-179.2	0	0	0	0	0	111.6	A393 A395 L396 H770 G771	A393-G774 VanDerWaalsContact O-CA 3.25Å; A393-G774 WeakPolarHBondContact O-CA 3.42Å; A395-G774 PolarHBondContact N-O 2.89Å; L396-G774 WeakPolarHBondContact CB-O 3.47Å; L396-G774 PolarHBondContact N-O 3.23Å; H770-G774 PolarHBondContact O-N 3Å; G771-G774 CarbonylContact C-O 3.55Å; G771-G774 WeakPolarHBondContact CA-O 3.25Å
775	P	98.1	Very high	97.8	Very high	3 Å²	3	9.1 Å²	9.1	2%	0.019	5%	0.05	C	C	.	.			cis	-91.3	169.8	33	34.9	-38.3	0	0	0	115	P338 L397 L830	P338-P775 HydrophobicContact CB-CB 3.61Å; P338-P775 HydrophobicContact CB-CG 4.35Å; P338-P775 HydrophobicContact CG-CB 3.93Å; P338-P775 HydrophobicContact CG-CG 4.12Å; L397-P775 HydrophobicContact CD2-CB 3.91Å; L397-P775 HydrophobicContact CD2-CG 4.03Å; P775-L830 HydrophobicContact CB-CD1 3.61Å; P775-L830 HydrophobicContact CG-CD1 3.56Å; P775-L830 HydrophobicContact CG-CD2 4.34Å
776	G	95.6	Very high	97.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.			trans	-139.6	164.7	166.6	0	0	0	0	0	112	N626 H763	N626-G776 CarbonylContact C-O 3.45Å; N626-G776 CarbonylContact O-C 3.52Å; H763-G776 WeakPolarHBondContact ND1-CA 3.23Å
777	C	98	Very high	97.5	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.014	5%	0.051	C	C	.	.			trans	-130.8	136.7	162.7	-65.3	0	0	0	0	107.8	L762 H763 I768	L762-C777 HydrophobicContact CB-CB 4.12Å; L762-C777 HydrophobicContact CD1-CB 3.82Å; L762-C777 HydrophobicContact CG-CB 4.16Å; L762-C777 PolarHBondContact N-O 3.21Å; L762-C777 VanDerWaalsContact N-O 3.13Å; H763-C777 PolarHBondContact ND1-O 3.42Å; I768-C777 HydrophobicContact CD1-CB 4.04Å
778	G	98.2	Very high	97.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.065	C	C	.	.			trans	-127.1	62.8	-177.2	0	0	0	0	0	113.9	P625 S627 G631 I760 V780	P625-G778 WeakPolarHBondContact CB-O 3.31Å; P625-G778 CarbonylContact O-C 3.53Å; P625-G778 PolarHBondContact O-N 3.31Å; S627-G778 WeakPolarHBondContact O-CA 3.31Å; G631-G778 VanDerWaalsContact CA-O 3.3Å; G631-G778 WeakPolarHBondContact CA-O 3.32Å; I760-G778 CarbonylContact O-C 3.59Å; I760-G778 VanDerWaalsContact O-CA 3.23Å; I760-G778 WeakPolarHBondContact O-CA 3.26Å; G778-V780 PolarHBondContact O-N 2.8Å
779	P	98	Very high	96.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.068	C	C	.	.			trans	-49.7	141.7	-179.3	-26.9	33.8	0	0	0	113.1	V621 C622 L623 H759 I760 L762	V621-P779 HydrophobicContact CG1-CB 4.1Å; C622-P779 VanDerWaalsContact O-CA 3.31Å; C622-P779 WeakPolarHBondContact O-CA 3.37Å; L623-P779 HydrophobicContact CD2-CB 3.74Å; L623-P779 HydrophobicContact CD2-CG 3.57Å; H759-P779 CarbonylContact C-O 3.57Å; H759-P779 VanDerWaalsContact CA-O 3.24Å; H759-P779 WeakPolarHBondContact CA-O 3.4Å; I760-P779 HydrophobicContact CD1-CB 4.11Å; I760-P779 HydrophobicContact CD1-CG 4.12Å; I760-P779 HydrophobicContact CG1-CB 3.88Å; I760-P779 HydrophobicContact CG1-CG 3.94Å; I760-P779 PolarHBondContact N-O 3.34Å; I760-P779 WeakPolarHBondContact O-CD 3.24Å; L762-P779 HydrophobicContact CD1-CG 3.81Å; L762-P779 HydrophobicContact CD2-CG 4.13Å; L762-P779 HydrophobicContact CG-CG 3.82Å
780	V	98.2	Very high	96.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.5	173.8	62	0	0	0	0	109.4	V621 C622 P625 A634 V757 S758 G778 V782 L790	V621-V780 WeakPolarHBondContact CA-O 3.45Å; C622-V780 HydrophobicContact CB-CG1 3.8Å; C622-V780 PolarHBondContact N-O 3.49Å; C622-V780 PolarHBondContact O-N 3.03Å; P625-V780 HydrophobicContact CG-CG1 4.13Å; A634-V780 HydrophobicContact CB-CB 4.38Å; A634-V780 HydrophobicContact CB-CG1 4.13Å; V757-V780 HydrophobicContact CG2-CG2 3.61Å; S758-V780 CarbonylContact O-C 3.02Å; S758-V780 WeakPolarHBondContact O-CA 3.48Å; G778-V780 PolarHBondContact O-N 2.8Å; V780-V782 HydrophobicContact CG2-CG1 4.18Å; V780-L790 HydrophobicContact CG1-CD2 3.69Å
781	C	98.6	Very high	96.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.7	-176	-47.3	0	0	0	0	108.3	Y618 Y620 V621 V757 S758	Y618-C781 HydrophobicContact CD2-CB 3.18Å; Y618-C781 HydrophobicContact CE2-CB 3.79Å; Y618-C781 HydrophobicContact CG-CB 3.76Å; Y620-C781 CarbonylContact O-C 3.51Å; Y620-C781 WeakPolarHBondContact O-CA 3.49Å; V621-C781 HydrophobicContact CG2-CB 4.2Å; V757-C781 CarbonylContact C-O 3.51Å; V757-C781 VanDerWaalsContact CA-O 3.23Å; V757-C781 WeakPolarHBondContact CA-O 3.48Å; V757-C781 WeakPolarHBondContact CG2-O 3.36Å; S758-C781 PolarHBondContact N-O 2.85Å; S758-C781 PolarHBondContact O-N 2.87Å
782	V	98.4	Very high	96.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.3	-170.8	-62.1	0	0	0	0	113	D619 Y620 D756 V757 V780 L786 A787 L790	D619-V782 PolarHBondContact N-O 3.44Å; Y620-V782 PolarHBondContact N-O 3.44Å; Y620-V782 VanDerWaalsContact N-O 3.14Å; Y620-V782 PolarHBondContact O-N 3.39Å; D756-V782 WeakPolarHBondContact O-CA 3.38Å; V757-V782 HydrophobicContact CB-CG1 4Å; V757-V782 HydrophobicContact CG2-CG1 3.66Å; V780-V782 HydrophobicContact CG2-CG1 4.18Å; V782-L786 HydrophobicContact CB-CB 3.93Å; V782-L786 HydrophobicContact CG1-CB 4.15Å; V782-L786 HydrophobicContact CG2-CB 4.45Å; V782-A787 HydrophobicContact CG2-CB 4.17Å; V782-L790 HydrophobicContact CG1-CD2 3.79Å; V782-L790 HydrophobicContact CG2-CD1 3.78Å; V782-L790 HydrophobicContact CG2-CD2 3.94Å; V782-L790 HydrophobicContact CG2-CG 3.95Å
783	K	98.4	Very high	95.9	Very high	48 Å²	48	12.4 Å²	12.4	21%	0.209	7%	0.069	C	C	.	.			trans	-67.9	158.6	161.5	-70.3	-64.8	-164	-175.4	0	110.9	G617 Y618 D619 A751 D756 H785 L786	G617-K783 PolarHBondContact O-NZ 3Å; Y618-K783 HydrophobicContact CD1-CD 4.3Å; Y618-K783 HydrophobicContact CD1-CG 4.11Å; Y618-K783 HydrophobicContact CE1-CG 4.39Å; D619-K783 WeakPolarHBondContact OD2-CA 3.32Å; A751-K783 HydrophobicContact CB-CD 4.4Å; A751-K783 VanDerWaalsContact O-CE 3.26Å; A751-K783 WeakPolarHBondContact O-CE 3.32Å; A751-K783 PolarHBondContact O-NZ 3.23Å; D756-K783 PolarHBondContact O-N 2.94Å; K783-H785 VanDerWaalsContact C-N 3.27Å; K783-H785 PolarHBondContact O-N 3.21Å; K783-H785 VanDerWaalsContact O-N 3.12Å; K783-L786 PolarHBondContact O-N 3.3Å
784	S	96.3	Very high	95.4	Very high	61 Å²	61	16.8 Å²	16.8	43%	0.427	9%	0.086	S	C	.	.	G	3₁₀ helix	trans	-53.1	-36.6	-171.1	-64.3	0	0	0	0	114.6	D619 L786 A787	D619-S784 VanDerWaalsContact CB-OG 3.3Å; D619-S784 WeakPolarHBondContact CB-OG 3.29Å; D619-S784 WeakPolarHBondContact OD2-CB 3.45Å; D619-S784 PolarHBondContact OD2-N 3.38Å; D619-S784 PolarHBondContact OD2-OG 2.9Å; S784-L786 VanDerWaalsContact C-N 3.28Å; S784-L786 PolarHBondContact O-N 2.92Å; S784-A787 WeakPolarHBondContact O-CB 3.42Å; S784-A787 PolarHBondContact O-N 3.49Å
785	H	95.6	Very high	95	Very high	65 Å²	65	20.8 Å²	20.8	30%	0.301	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-71.2	-20.2	-177.2	64	-76.9	0	0	0	114	Y642 Q733 D756 K783	Y642-H785 AromaticContact CD2-CD2 3.98Å; Y642-H785 HydrophobicContact CE2-CB 4.15Å; Y642-H785 AromaticContact CE2-CD2 3.71Å; Y642-H785 AromaticContact CZ-CD2 3.85Å; Q733-H785 PolarHBondContact OE1-CD2 3.23Å; Q733-H785 PolarHBondContact OE1-NE2 3.03Å; D756-H785 IonicContact OD1-CE1 2.82Å; D756-H785 PolarHBondContact OD1-CE1 3.49Å; D756-H785 IonicContact OD1-NE2 3.91Å; K783-H785 VanDerWaalsContact C-N 3.27Å; K783-H785 PolarHBondContact O-N 3.21Å; K783-H785 VanDerWaalsContact O-N 3.12Å
786	L	96.1	Very high	94.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-93.1	-14.3	175.7	-63.7	-177.2	0	0	0	112.7	A638 I639 Y642 D756 V757 V782 K783 S784 P788 F789	A638-L786 HydrophobicContact CB-CB 4.42Å; I639-L786 HydrophobicContact CG1-CD1 4.14Å; I639-L786 HydrophobicContact CG1-CD2 4.49Å; Y642-L786 VanDerWaalsContact CB-CD2 3.46Å; Y642-L786 HydrophobicContact CD1-CD2 4.09Å; Y642-L786 HydrophobicContact CD2-CD2 4.3Å; Y642-L786 HydrophobicContact CG-CD2 3.7Å; D756-L786 HydrophobicContact CB-CD1 3.92Å; V757-L786 HydrophobicContact CB-CD1 3.86Å; V757-L786 HydrophobicContact CG1-CD1 3.99Å; V782-L786 HydrophobicContact CB-CB 3.93Å; V782-L786 HydrophobicContact CG1-CB 4.15Å; V782-L786 HydrophobicContact CG2-CB 4.45Å; K783-L786 PolarHBondContact O-N 3.3Å; S784-L786 VanDerWaalsContact C-N 3.28Å; S784-L786 PolarHBondContact O-N 2.92Å; L786-P788 VanDerWaalsContact C-CD 3.45Å; L786-F789 PolarHBondContact O-N 3.1Å
787	A	94.1	Very high	94	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.017	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-57.8	-38.4	-174.6	0	0	0	0	0	115.1	Y620 V782 S784 F789 L790 L803	Y620-A787 HydrophobicContact CD2-CB 3.34Å; Y620-A787 HydrophobicContact CE2-CB 3.79Å; Y620-A787 HydrophobicContact CG-CB 3.9Å; V782-A787 HydrophobicContact CG2-CB 4.17Å; S784-A787 WeakPolarHBondContact O-CB 3.42Å; S784-A787 PolarHBondContact O-N 3.49Å; A787-F789 PolarHBondContact O-N 2.97Å; A787-L790 WeakPolarHBondContact O-CB 3.43Å; A787-L790 PolarHBondContact O-N 3.25Å; A787-L790 VanDerWaalsContact O-N 3.12Å; A787-L803 HydrophobicContact CB-CD1 4.33Å; A787-L803 HydrophobicContact CB-CD2 3.91Å
788	P	91.3	Very high	93.3	Very high	49 Å²	49	23.8 Å²	23.8	32%	0.318	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-60.3	-18.2	175.6	-25.5	36.2	0	0	0	114.4	L786 Y798	L786-P788 VanDerWaalsContact C-CD 3.45Å; P788-Y798 WeakPolarHBondContact O-CE1 3.3Å; P788-Y798 PolarHBondContact O-OH 3.49Å
789	F	92.9	Very high	92.9	Very high	11 Å²	11	23.9 Å²	23.9	5%	0.048	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-108.6	19.8	-177.7	-43.7	-78.5	0	0	0	112.3	A638 G641 Y642 R645 L786 A787 D816 Y818	A638-F789 WeakPolarHBondContact CA-O 3.38Å; A638-F789 HydrophobicContact CB-CB 4.14Å; A638-F789 WeakPolarHBondContact CB-O 3.42Å; G641-F789 VanDerWaalsContact C-CD1 3.43Å; G641-F789 VanDerWaalsContact C-CE1 3.46Å; G641-F789 VanDerWaalsContact O-CE1 3.26Å; G641-F789 WeakPolarHBondContact O-CE1 3.4Å; Y642-F789 VanDerWaalsContact CA-CE2 3.44Å; Y642-F789 HydrophobicContact CD2-CE2 4.05Å; Y642-F789 HydrophobicContact CG-CE2 4.38Å; R645-F789 HydrophobicContact CB-CE1 3.78Å; R645-F789 HydrophobicContact CB-CZ 3.61Å; R645-F789 HydrophobicContact CG-CE1 4.3Å; R645-F789 HydrophobicContact CG-CZ 3.91Å; L786-F789 PolarHBondContact O-N 3.1Å; A787-F789 PolarHBondContact O-N 2.97Å; F789-D816 HydrophobicContact CD1-CB 4.48Å; F789-Y818 WeakPolarHBondContact O-CE1 3.38Å; F789-Y818 PolarHBondContact O-OH 3.07Å
790	L	94.6	Very high	92.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-69.4	159.8	168.3	-77.9	175.2	0	0	0	111.2	C622 V780 V782 A787 C800 L803	C622-L790 HydrophobicContact CB-CD1 4.11Å; C622-L790 HydrophobicContact CB-CD2 3.95Å; C622-L790 HydrophobicContact CB-CG 4.44Å; V780-L790 HydrophobicContact CG1-CD2 3.69Å; V782-L790 HydrophobicContact CG1-CD2 3.79Å; V782-L790 HydrophobicContact CG2-CD1 3.78Å; V782-L790 HydrophobicContact CG2-CD2 3.94Å; V782-L790 HydrophobicContact CG2-CG 3.95Å; A787-L790 WeakPolarHBondContact O-CB 3.43Å; A787-L790 PolarHBondContact O-N 3.25Å; A787-L790 VanDerWaalsContact O-N 3.12Å; L790-C800 HydrophobicContact CD1-CB 4.22Å; L790-L803 HydrophobicContact CD1-CD1 3.8Å
791	P	93.5	Very high	92.2	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.013	14%	0.139	C	C	.	.			trans	-54.4	148.9	177.8	-25.1	34.2	0	0	0	112.9	A634 T799 Y818 I820	A634-P791 HydrophobicContact CB-CG 3.96Å; P791-T799 PolarHBondContact O-N 3.47Å; P791-T799 PolarHBondContact O-OG1 3.27Å; P791-Y818 HydrophobicContact CB-CE2 4.21Å; P791-Y818 WeakPolarHBondContact CD-OH 3.34Å; P791-Y818 HydrophobicContact CG-CE2 3.95Å; P791-I820 HydrophobicContact CB-CG1 4.02Å; P791-I820 HydrophobicContact CG-CG1 3.83Å
792	Q	91.8	Very high	91.6	Very high	13 Å²	13	28.3 Å²	28.3	6%	0.061	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	161.3	174.2	-57.8	-173.1	31.1	0	0	109.8	G797 Y798 H817 Y818 A819	Q792-G797 CarbonylContact C-O 3.59Å; Q792-G797 VanDerWaalsContact CA-O 3.25Å; Q792-G797 WeakPolarHBondContact CA-O 3.39Å; Q792-G797 WeakPolarHBondContact CB-O 3.26Å; Q792-Y798 HydrophobicContact CG-CD1 3.79Å; Q792-Y798 HydrophobicContact CG-CE1 3.94Å; Q792-Y798 HydrophobicContact CG-CG 4.23Å; Q792-Y798 VanDerWaalsContact NE2-CZ 3.31Å; Q792-Y798 PolarHBondContact NE2-OH 2.71Å; Q792-H817 PolarHBondContact OE1-CD2 3.29Å; Q792-Y818 PolarHBondContact N-O 2.89Å; Q792-A819 WeakPolarHBondContact O-CA 3.29Å
793	H	91.8	Very high	90.9	Very high	5 Å²	5	29.1 Å²	29.1	2%	0.023	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.2	174.5	-176.5	-89.1	0	0	0	109.5	F592 L795 Y796 G797 T799 S822 P824	F592-H793 AromaticContact CD1-CE1 3.99Å; F592-H793 AromaticContact CE1-CE1 3.52Å; F592-H793 AromaticContact CE1-NE2 3.6Å; H793-L795 PolarHBondContact ND1-N 3.39Å; H793-L795 PolarHBondContact O-N 2.68Å; H793-Y796 PolarHBondContact O-N 3.18Å; H793-G797 PolarHBondContact N-O 3.49Å; H793-G797 PolarHBondContact O-N 2.6Å; H793-T799 HydrophobicContact CB-CG2 3.68Å; H793-S822 PolarHBondContact NE2-O 3.11Å; H793-S822 VanDerWaalsContact NE2-O 3.11Å; H793-P824 HydrophobicContact CB-CB 3.93Å
794	Y	87.5	Confident	89.3	Confident	92 Å²	92	30.6 Å²	30.6	36%	0.361	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-32	-170.8	83.3	-85.5	0	0	0	114.3	Q138 P229 Q230	Q138-Y794 PolarHBondContact OE1-OH 3.44Å; P229-Y794 HydrophobicContact CB-CD1 4.46Å; P229-Y794 HydrophobicContact CB-CD2 4.34Å; P229-Y794 HydrophobicContact CB-CE1 4.04Å; P229-Y794 HydrophobicContact CB-CE2 3.9Å; Q230-Y794 HydrophobicContact CB-CD1 4.29Å; Q230-Y794 HydrophobicContact CB-CE1 3.99Å
795	L	87.7	Confident	87.4	Confident	84 Å²	84	34.7 Å²	34.7	44%	0.44	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-29.8	-179.4	-173.8	64.7	0	0	0	114.2	F592 H793	F592-L795 HydrophobicContact CB-CD2 3.58Å; F592-L795 HydrophobicContact CD1-CD2 4.09Å; F592-L795 HydrophobicContact CG-CD2 4.05Å; H793-L795 PolarHBondContact ND1-N 3.39Å; H793-L795 PolarHBondContact O-N 2.68Å
796	Y	87.1	Confident	85.3	Confident	10 Å²	10	37.5 Å²	37.5	4%	0.039	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-14.2	-169.7	-90.7	-110.9	0	0	0	113.5	F335 V593 K595 H793 P824 Y825	F335-Y796 HydrophobicContact CZ-CE1 4.47Å; V593-Y796 PolarHBondContact O-OH 3.08Å; K595-Y796 HydrophobicContact CD-CD1 4.38Å; K595-Y796 HydrophobicContact CD-CE1 4.32Å; K595-Y796 HydrophobicContact CG-CD1 4.18Å; K595-Y796 HydrophobicContact CG-CE1 3.65Å; K595-Y796 PolarHBondContact NZ-O 2.82Å; H793-Y796 PolarHBondContact O-N 3.18Å; Y796-P824 HydrophobicContact CD1-CB 4.4Å; Y796-P824 HydrophobicContact CD1-CG 4.47Å; Y796-P824 HydrophobicContact CD2-CB 4.2Å; Y796-P824 HydrophobicContact CD2-CG 3.97Å; Y796-P824 HydrophobicContact CE2-CG 4.26Å; Y796-P824 HydrophobicContact CG-CB 3.93Å; Y796-P824 HydrophobicContact CG-CG 4.11Å; Y796-Y825 AromaticContact CD1-CE2 3.95Å; Y796-Y825 HydrophobicContact CD1-CE2 3.95Å; Y796-Y825 HydrophobicContact CE1-CE2 4.08Å
797	G	86.3	Confident	82.7	Confident	15 Å²	15	46.7 Å²	46.7	16%	0.155	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.6	-137.2	-171.1	0	0	0	0	0	110.4	Q792 H793 T799	Q792-G797 CarbonylContact C-O 3.59Å; Q792-G797 VanDerWaalsContact CA-O 3.25Å; Q792-G797 WeakPolarHBondContact CA-O 3.39Å; Q792-G797 WeakPolarHBondContact CB-O 3.26Å; H793-G797 PolarHBondContact N-O 3.49Å; H793-G797 PolarHBondContact O-N 2.6Å; G797-T799 PolarHBondContact O-N 2.81Å
798	Y	83.9	Confident	80.1	Confident	43 Å²	43	50.3 Å²	50.3	17%	0.169	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	135.8	171	-75.2	-80	0	0	0	111.4	P788 Q792 C800 L803	P788-Y798 WeakPolarHBondContact O-CE1 3.3Å; P788-Y798 PolarHBondContact O-OH 3.49Å; Q792-Y798 HydrophobicContact CG-CD1 3.79Å; Q792-Y798 HydrophobicContact CG-CE1 3.94Å; Q792-Y798 HydrophobicContact CG-CG 4.23Å; Q792-Y798 VanDerWaalsContact NE2-CZ 3.31Å; Q792-Y798 PolarHBondContact NE2-OH 2.71Å; Y798-C800 VanDerWaalsContact C-N 3.29Å; Y798-L803 HydrophobicContact CD1-CD1 4.16Å
799	T	88.4	Confident	77.4	Confident	2 Å²	2	53 Å²	53	1%	0.012	27%	0.27	C	S	.	.	S	Bend	trans	-96.4	20.8	179.5	57.2	0	0	0	0	112.7	C622 A624 P791 H793 G797 P824	C622-T799 PolarHBondContact SG-OG1 2.97Å; A624-T799 HydrophobicContact CB-CG2 4.41Å; A624-T799 WeakPolarHBondContact CB-OG1 3.46Å; P791-T799 PolarHBondContact O-N 3.47Å; P791-T799 PolarHBondContact O-OG1 3.27Å; H793-T799 HydrophobicContact CB-CG2 3.68Å; G797-T799 PolarHBondContact O-N 2.81Å; T799-P824 WeakPolarHBondContact CB-O 3.33Å; T799-P824 HydrophobicContact CG2-CB 4.16Å; T799-P824 WeakPolarHBondContact CG2-O 3.47Å
800	C	91.8	Very high	74.9	Confident	3 Å²	3	59 Å²	59	2%	0.02	30%	0.302	C	S	.	.			trans	-114	114.6	169.5	174.5	0	0	0	0	106.7	E609 V621 C622 L790 Y798 S802 L803	E609-C800 WeakPolarHBondContact OE1-CA 3.46Å; V621-C800 PolarHBondContact O-SG 2.92Å; C622-C800 HydrophobicContact CB-CB 4.27Å; L790-C800 HydrophobicContact CD1-CB 4.22Å; Y798-C800 VanDerWaalsContact C-N 3.29Å; C800-S802 VanDerWaalsContact C-N 3.31Å; C800-S802 PolarHBondContact O-N 2.86Å; C800-S802 PolarHBondContact SG-OG 3.29Å; C800-S802 VanDerWaalsContact SG-OG 3.33Å; C800-L803 HydrophobicContact CB-CB 4.25Å; C800-L803 HydrophobicContact CB-CD1 3.87Å; C800-L803 HydrophobicContact CB-CG 4.15Å; C800-L803 PolarHBondContact O-N 2.85Å
801	V	90.3	Very high	71.9	Confident	49 Å²	49	67.7 Å²	67.7	30%	0.297	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-31.4	-172.6	177.4	0	0	0	0	111.4	L602 I605 A606 E609 L803 Y825	L602-V801 HydrophobicContact CD2-CG2 4.13Å; I605-V801 HydrophobicContact CB-CG2 4.23Å; I605-V801 HydrophobicContact CG2-CB 4.14Å; I605-V801 HydrophobicContact CG2-CG2 3.46Å; I605-V801 VanDerWaalsContact CG2-CG2 3.46Å; A606-V801 HydrophobicContact CB-CG1 4.06Å; E609-V801 PolarHBondContact OE1-N 3.43Å; E609-V801 PolarHBondContact OE2-N 2.86Å; E609-V801 VanDerWaalsContact OE2-N 3.17Å; V801-L803 VanDerWaalsContact C-N 3.32Å; V801-L803 PolarHBondContact O-N 2.8Å; V801-Y825 HydrophobicContact CG2-CE1 3.81Å; V801-Y825 WeakPolarHBondContact CG2-OH 3.41Å
802	S	85.9	Confident	69.1	Low	41 Å²	41	72 Å²	72	29%	0.287	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-9.8	179.4	52.5	0	0	0	0	114.7	E609 C800	E609-S802 WeakPolarHBondContact OE2-CB 3.18Å; E609-S802 PolarHBondContact OE2-N 2.88Å; E609-S802 PolarHBondContact OE2-OG 2.73Å; C800-S802 VanDerWaalsContact C-N 3.31Å; C800-S802 PolarHBondContact O-N 2.86Å; C800-S802 PolarHBondContact SG-OG 3.29Å; C800-S802 VanDerWaalsContact SG-OG 3.33Å
803	L	83.7	Confident	66.5	Low	16 Å²	16	81.2 Å²	81.2	8%	0.084	41%	0.405	C	S	.	.	S	Bend	trans	-75.3	124.3	172.3	-90.9	174.1	0	0	0	109.9	Y620 A787 L790 Y798 C800 V801 D805	Y620-L803 HydrophobicContact CD1-CD2 3.48Å; Y620-L803 VanDerWaalsContact CD1-CD2 3.48Å; Y620-L803 HydrophobicContact CD1-CG 3.58Å; Y620-L803 HydrophobicContact CD2-CD2 4.27Å; Y620-L803 HydrophobicContact CE1-CD2 3.35Å; Y620-L803 HydrophobicContact CE1-CG 3.89Å; Y620-L803 HydrophobicContact CE2-CD2 4.15Å; Y620-L803 HydrophobicContact CG-CD2 3.94Å; Y620-L803 HydrophobicContact CG-CG 4.13Å; A787-L803 HydrophobicContact CB-CD1 4.33Å; A787-L803 HydrophobicContact CB-CD2 3.91Å; L790-L803 HydrophobicContact CD1-CD1 3.8Å; Y798-L803 HydrophobicContact CD1-CD1 4.16Å; C800-L803 HydrophobicContact CB-CB 4.25Å; C800-L803 HydrophobicContact CB-CD1 3.87Å; C800-L803 HydrophobicContact CB-CG 4.15Å; C800-L803 PolarHBondContact O-N 2.85Å; V801-L803 VanDerWaalsContact C-N 3.32Å; V801-L803 PolarHBondContact O-N 2.8Å; L803-D805 PolarHBondContact O-N 3.4Å
804	P	64.4	Low	64.1	Low	80 Å²	80	82.5 Å²	82.5	52%	0.519	41%	0.414	S	S	.	.			trans	-56.3	143.3	172.7	-19.8	30.6	0	0	0	109.8	H806	P804-H806 PolarHBondContact O-N 3.29Å
805	D	57.1	Low	62.2	Low	147 Å²	147	81.2 Å²	81.2	79%	0.786	42%	0.419	S	S	*	.			trans	-58.8	83.8	169.6	-78.2	-33.1	0	0	0	108.8	L803 K807	L803-D805 PolarHBondContact O-N 3.4Å; D805-K807 VanDerWaalsContact C-N 3.26Å; D805-K807 PolarHBondContact O-N 3.24Å
806	H	50.3	Low	60.9	Low	124 Å²	124	78.1 Å²	78.1	57%	0.574	40%	0.403	S	S	*	.			trans	-59.3	104	157.1	-83.3	-63.1	0	0	0	103.7	P804 M808	P804-H806 PolarHBondContact O-N 3.29Å; H806-M808 VanDerWaalsContact C-N 3.33Å; H806-M808 PolarHBondContact O-N 2.74Å
807	K	42.1	Very low	60.2	Low	193 Å²	193	81 Å²	81	84%	0.839	42%	0.416	S	S	*	.			trans	-39.3	103.7	176.8	-75.3	-177	176.5	-179.7	0	107.4	D805 N809	D805-K807 VanDerWaalsContact C-N 3.26Å; D805-K807 PolarHBondContact O-N 3.24Å; K807-N809 VanDerWaalsContact C-N 3.3Å; K807-N809 PolarHBondContact O-N 3.23Å
808	M	40.7	Very low	60.3	Low	77 Å²	77	80.8 Å²	80.8	38%	0.379	41%	0.411	S	S	.	.			trans	-58.3	106.9	168.8	-94.5	171.9	65.8	0	0	103.5	H806 I810 H817	H806-M808 VanDerWaalsContact C-N 3.33Å; H806-M808 PolarHBondContact O-N 2.74Å; M808-I810 HydrophobicContact CB-CG1 4.12Å; M808-I810 HydrophobicContact CE-CG1 4.08Å; M808-I810 PolarHBondContact O-N 3.22Å; M808-H817 WeakPolarHBondContact CE-NE2 3.17Å
809	N	33	Very low	60.7	Low	105 Å²	105	78.8 Å²	78.8	56%	0.561	40%	0.404	S	S	*	.			trans	-64.8	91	153.6	-89.6	-5.6	0	0	0	104.1	K807 E811 N812	K807-N809 VanDerWaalsContact C-N 3.3Å; K807-N809 PolarHBondContact O-N 3.23Å; N809-E811 PolarHBondContact O-N 3.48Å; N809-E811 VanDerWaalsContact O-N 3.07Å; N809-N812 HydrophobicContact CB-CB 4.14Å; N809-N812 WeakPolarHBondContact O-CA 3.32Å; N809-N812 WeakPolarHBondContact O-CB 3.45Å; N809-N812 PolarHBondContact O-N 3.39Å
810	I	40.4	Very low	61	Low	139 Å²	139	78.9 Å²	78.9	71%	0.713	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-22	171.1	-65.1	169.3	0	0	0	109.5	M808	M808-I810 HydrophobicContact CB-CG1 4.12Å; M808-I810 HydrophobicContact CE-CG1 4.08Å; M808-I810 PolarHBondContact O-N 3.22Å
811	E	33.2	Very low	61.2	Low	181 Å²	181	79 Å²	79	85%	0.846	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.8	172.4	-64	-171.6	161.2	0	0	114.3	N809 K813	N809-E811 PolarHBondContact O-N 3.48Å; N809-E811 VanDerWaalsContact O-N 3.07Å; E811-K813 PolarHBondContact O-N 3.42Å
812	N	34.4	Very low	61.5	Low	93 Å²	93	76.7 Å²	76.7	50%	0.497	39%	0.391	S	S	.	.			trans	-78.9	92.6	167.4	-98.5	-17	0	0	0	108.2	N809 S814	N809-N812 HydrophobicContact CB-CB 4.14Å; N809-N812 WeakPolarHBondContact O-CA 3.32Å; N809-N812 WeakPolarHBondContact O-CB 3.45Å; N809-N812 PolarHBondContact O-N 3.39Å; N812-S814 PolarHBondContact O-N 3.13Å
813	K	36.5	Very low	62	Low	206 Å²	206	74.9 Å²	74.9	90%	0.896	38%	0.378	S	S	*	.			trans	-57.3	31.1	154.4	-66.6	-178.2	177.5	177.3	0	112.5	E811	E811-K813 PolarHBondContact O-N 3.42Å
814	S	40.6	Very low	62.6	Low	32 Å²	32	74.2 Å²	74.2	22%	0.224	38%	0.375	C	S	.	.			trans	-57.9	143.2	174.5	68.2	0	0	0	0	108.8	N812 D816	N812-S814 PolarHBondContact O-N 3.13Å; S814-D816 PolarHBondContact O-N 2.78Å
815	S	48.5	Very low	64.1	Low	66 Å²	66	70.7 Å²	70.7	46%	0.462	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	2.5	-175.4	41.6	0	0	0	0	116	K240	K240-S815 VanDerWaalsContact NZ-C 3.29Å; K240-S815 PolarHBondContact NZ-O 2.67Å
816	D	59.9	Low	66	Low	19 Å²	19	63.9 Å²	63.9	10%	0.102	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-11.4	-154.7	-58.9	2.2	0	0	0	112.8	R645 F789 S814 Y818	R645-D816 IonicContact CZ-OD2 3.83Å; R645-D816 VanDerWaalsContact CZ-OD2 3.28Å; R645-D816 IonicContact NE-OD2 3.4Å; R645-D816 PolarHBondContact NE-OD2 2.89Å; R645-D816 IonicContact NH2-OD2 2.65Å; R645-D816 PolarHBondContact NH2-OD2 3.47Å; F789-D816 HydrophobicContact CD1-CB 4.48Å; S814-D816 PolarHBondContact O-N 2.78Å; D816-Y818 PolarHBondContact O-N 3.03Å
817	H	72.1	Confident	68.3	Low	69 Å²	69	58.1 Å²	58.1	32%	0.319	29%	0.289	S	S	.	.			trans	-73.9	123.9	174.8	-61.5	92.7	0	0	0	110.9	Q792 M808	Q792-H817 PolarHBondContact OE1-CD2 3.29Å; M808-H817 WeakPolarHBondContact CE-NE2 3.17Å
818	Y	88.5	Confident	71	Confident	11 Å²	11	48.9 Å²	48.9	4%	0.043	25%	0.249	C	C	.	.			trans	-148.8	146	169.8	73.9	-77.5	0	0	0	112.2	S237 A634 K637 F789 P791 Q792 D816 I820	S237-Y818 WeakPolarHBondContact OG-CA 3.43Å; A634-Y818 PolarHBondContact O-OH 2.96Å; A634-Y818 VanDerWaalsContact O-OH 3.12Å; K637-Y818 HydrophobicContact CB-CD2 4.38Å; K637-Y818 HydrophobicContact CB-CE1 4.46Å; K637-Y818 HydrophobicContact CB-CE2 3.78Å; K637-Y818 HydrophobicContact CG-CE2 4.37Å; F789-Y818 WeakPolarHBondContact O-CE1 3.38Å; F789-Y818 PolarHBondContact O-OH 3.07Å; P791-Y818 HydrophobicContact CB-CE2 4.21Å; P791-Y818 WeakPolarHBondContact CD-OH 3.34Å; P791-Y818 HydrophobicContact CG-CE2 3.95Å; Q792-Y818 PolarHBondContact N-O 2.89Å; D816-Y818 PolarHBondContact O-N 3.03Å; Y818-I820 HydrophobicContact CD2-CD1 3.58Å; Y818-I820 HydrophobicContact CD2-CG1 3.71Å; Y818-I820 HydrophobicContact CE2-CD1 3.45Å; Y818-I820 VanDerWaalsContact CE2-CD1 3.45Å; Y818-I820 HydrophobicContact CE2-CG1 3.41Å; Y818-I820 VanDerWaalsContact CE2-CG1 3.41Å
819	A	92.6	Very high	73.7	Confident	2 Å²	2	45.5 Å²	45.5	2%	0.017	23%	0.233	C	C	.	.			trans	-106.5	145.8	169.1	0	0	0	0	0	111.1	N233 V234 S237 Q792	N233-A819 HydrophobicContact CB-CB 4.35Å; N233-A819 WeakPolarHBondContact OD1-CB 3.45Å; V234-A819 HydrophobicContact CG2-CB 3.97Å; S237-A819 WeakPolarHBondContact CB-O 3.39Å; S237-A819 PolarHBondContact OG-N 3.22Å; Q792-A819 WeakPolarHBondContact O-CA 3.29Å
820	I	94.3	Very high	76.8	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.021	21%	0.207	C	C	.	.	S	Bend	trans	-108.8	-38.6	178.9	-65.5	-64.6	0	0	0	111.2	T203 P625 Q630 Y633 A634 P791 Y818	T203-I820 WeakPolarHBondContact CG2-O 3.31Å; P625-I820 HydrophobicContact CB-CG2 4.3Å; Q630-I820 HydrophobicContact CB-CG2 4.09Å; Q630-I820 PolarHBondContact NE2-O 2.89Å; Y633-I820 HydrophobicContact CD1-CD1 3.38Å; Y633-I820 HydrophobicContact CD1-CG2 4.49Å; Y633-I820 HydrophobicContact CE1-CD1 3.13Å; Y633-I820 HydrophobicContact CG-CD1 4.33Å; A634-I820 HydrophobicContact CB-CD1 4.25Å; A634-I820 HydrophobicContact CB-CG1 4Å; P791-I820 HydrophobicContact CB-CG1 4.02Å; P791-I820 HydrophobicContact CG-CG1 3.83Å; Y818-I820 HydrophobicContact CD2-CD1 3.58Å; Y818-I820 HydrophobicContact CD2-CG1 3.71Å; Y818-I820 HydrophobicContact CE2-CD1 3.45Å; Y818-I820 VanDerWaalsContact CE2-CD1 3.45Å; Y818-I820 HydrophobicContact CE2-CG1 3.41Å; Y818-I820 VanDerWaalsContact CE2-CG1 3.41Å
821	C	95.8	Very high	79.6	Confident	5 Å²	5	34.1 Å²	34.1	3%	0.034	17%	0.173	C	C	.	.	S	Bend	trans	-127.1	161.9	-177.2	-63.5	0	0	0	0	110.7	D200 V234 A624 N626	D200-C821 WeakPolarHBondContact OD2-CA 3.35Å; D200-C821 WeakPolarHBondContact OD2-CB 3.13Å; V234-C821 WeakPolarHBondContact CG2-O 3.32Å; A624-C821 PolarHBondContact O-SG 3.34Å; A624-C821 VanDerWaalsContact O-SG 3.33Å; N626-C821 PolarHBondContact OD1-SG 2.98Å
822	S	97.5	Very high	82.7	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.007	13%	0.133	C	C	.	.	S	Bend	trans	-70.6	-33	179.4	-63.1	0	0	0	0	113.3	D200 G202 Q230 H793	D200-S822 PolarHBondContact OD1-OG 2.65Å; D200-S822 PolarHBondContact OD2-N 3.5Å; G202-S822 WeakPolarHBondContact CA-OG 3.49Å; G202-S822 PolarHBondContact N-OG 2.94Å; Q230-S822 WeakPolarHBondContact CB-O 3.38Å; Q230-S822 WeakPolarHBondContact CG-O 3.43Å; H793-S822 PolarHBondContact NE2-O 3.11Å; H793-S822 VanDerWaalsContact NE2-O 3.11Å
823	A	97.5	Very high	85.7	Confident	3 Å²	3	21.1 Å²	21.1	3%	0.025	11%	0.11	C	C	.	.	S	Bend	trans	-103.1	148.8	177.3	0	0	0	0	0	111.1	P591 Y825 G826	P591-A823 HydrophobicContact CB-CB 4.21Å; A823-Y825 VanDerWaalsContact C-N 3.31Å; A823-Y825 PolarHBondContact O-N 3.45Å; A823-G826 PolarHBondContact O-N 3.21Å
824	P	94.8	Very high	88.7	Confident	1 Å²	1	11.3 Å²	11.3	1%	0.006	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-35.9	-175.1	23.2	-34.2	0	0	0	113.6	A624 H793 Y796 T799	A624-P824 WeakPolarHBondContact CB-O 3.33Å; H793-P824 HydrophobicContact CB-CB 3.93Å; Y796-P824 HydrophobicContact CD1-CB 4.4Å; Y796-P824 HydrophobicContact CD1-CG 4.47Å; Y796-P824 HydrophobicContact CD2-CB 4.2Å; Y796-P824 HydrophobicContact CD2-CG 3.97Å; Y796-P824 HydrophobicContact CE2-CG 4.26Å; Y796-P824 HydrophobicContact CG-CB 3.93Å; Y796-P824 HydrophobicContact CG-CG 4.11Å; T799-P824 WeakPolarHBondContact CB-O 3.33Å; T799-P824 HydrophobicContact CG2-CB 4.16Å; T799-P824 WeakPolarHBondContact CG2-O 3.47Å
825	Y	96.9	Very high	91.5	Very high	7 Å²	7	9.9 Å²	9.9	3%	0.027	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	27.5	-179.2	-55.1	-72.3	0	0	0	112.2	F335 L602 I605 Y796 V801 A823 S827	F335-Y825 AromaticContact CE1-CD2 3.68Å; F335-Y825 HydrophobicContact CE1-CD2 3.68Å; F335-Y825 HydrophobicContact CE1-CE2 4.15Å; F335-Y825 HydrophobicContact CZ-CD2 4.11Å; F335-Y825 HydrophobicContact CZ-CE2 4.3Å; L602-Y825 HydrophobicContact CD2-CE2 4.06Å; L602-Y825 WeakPolarHBondContact CD2-OH 3.46Å; I605-Y825 HydrophobicContact CD1-CD1 3.86Å; I605-Y825 HydrophobicContact CD1-CD2 3.86Å; I605-Y825 HydrophobicContact CD1-CE1 4.16Å; I605-Y825 HydrophobicContact CD1-CE2 4.15Å; I605-Y825 HydrophobicContact CD1-CG 3.68Å; I605-Y825 HydrophobicContact CG2-CD1 4.45Å; I605-Y825 HydrophobicContact CG2-CE1 4.36Å; Y796-Y825 AromaticContact CD1-CE2 3.95Å; Y796-Y825 HydrophobicContact CD1-CE2 3.95Å; Y796-Y825 HydrophobicContact CE1-CE2 4.08Å; V801-Y825 HydrophobicContact CG2-CE1 3.81Å; V801-Y825 WeakPolarHBondContact CG2-OH 3.41Å; A823-Y825 VanDerWaalsContact C-N 3.31Å; A823-Y825 PolarHBondContact O-N 3.45Å; Y825-S827 PolarHBondContact O-N 2.9Å
826	G	96.9	Very high	93.8	Very high	3 Å²	3	6.8 Å²	6.8	3%	0.031	4%	0.035	C	C	.	.	S	Bend	trans	56.8	-125.9	179.1	0	0	0	0	0	112.7	G336 A624 A823 A828	G336-G826 CarbonylContact C-O 3.56Å; A624-G826 WeakPolarHBondContact O-CA 3.2Å; A624-G826 PolarHBondContact O-N 2.95Å; A823-G826 PolarHBondContact O-N 3.21Å; G826-A828 VanDerWaalsContact C-N 3.31Å; G826-A828 PolarHBondContact O-N 3.23Å; G826-A828 VanDerWaalsContact O-N 3.16Å
827	S	98.1	Very high	95.7	Very high	3 Å²	3	6 Å²	6	2%	0.021	3%	0.03	C	C	.	.	S	Bend	trans	-87.1	63.3	178.6	-52.8	0	0	0	0	111.7	G337 Y825 S829 L830	G337-S827 CarbonylContact O-C 3.43Å; Y825-S827 PolarHBondContact O-N 2.9Å; S827-S829 PolarHBondContact O-N 3.42Å; S827-S829 VanDerWaalsContact O-N 3.11Å; S827-L830 PolarHBondContact O-N 3.38Å; S827-L830 VanDerWaalsContact O-N 3.11Å
828	A	98.2	Very high	96.9	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.016	C	C	.	.	G	3₁₀ helix	trans	-57.4	-30.5	-167.7	0	0	0	0	0	114.4	F335 Y601 G826 L830 L831	F335-A828 HydrophobicContact CB-CB 4.09Å; F335-A828 HydrophobicContact CD1-CB 3.69Å; F335-A828 HydrophobicContact CG-CB 4.3Å; Y601-A828 HydrophobicContact CE1-CB 4.09Å; Y601-A828 WeakPolarHBondContact CE1-O 3.4Å; G826-A828 VanDerWaalsContact C-N 3.31Å; G826-A828 PolarHBondContact O-N 3.23Å; G826-A828 VanDerWaalsContact O-N 3.16Å; A828-L830 PolarHBondContact O-N 3.49Å; A828-L830 VanDerWaalsContact O-N 3.11Å; A828-L831 HydrophobicContact CB-CD1 4.43Å; A828-L831 WeakPolarHBondContact O-CB 3.38Å; A828-L831 WeakPolarHBondContact O-CG 3.48Å; A828-L831 PolarHBondContact O-N 3.19Å; A828-L831 VanDerWaalsContact O-N 3.16Å
829	S	98.2	Very high	97.4	Very high	5 Å²	5	2.8 Å²	2.8	4%	0.035	2%	0.016	C	C	.	.	G	3₁₀ helix	trans	-67.6	-9.7	-179.5	77	0	0	0	0	114.7	G334 G337 P338 Y601 S827	G334-S829 PolarHBondContact O-N 2.65Å; G337-S829 PolarHBondContact O-N 3.2Å; G337-S829 PolarHBondContact O-OG 3.39Å; P338-S829 WeakPolarHBondContact CD-OG 2.99Å; Y601-S829 WeakPolarHBondContact OH-CA 3.18Å; S827-S829 PolarHBondContact O-N 3.42Å; S827-S829 VanDerWaalsContact O-N 3.11Å
830	L	98.3	Very high	97.6	Very high	4 Å²	4	2.7 Å²	2.7	2%	0.021	2%	0.015	C	C	.	.	G	3₁₀ helix	trans	-92.7	-18.3	175.7	-54.8	177.2	0	0	0	113.4	P338 I768 P775 S827 A828 P832 I833	P338-L830 HydrophobicContact CB-CD1 4.26Å; P338-L830 HydrophobicContact CG-CD1 3.94Å; P338-L830 HydrophobicContact CG-CD2 4.08Å; P338-L830 HydrophobicContact CG-CG 4.11Å; I768-L830 HydrophobicContact CD1-CB 3.78Å; I768-L830 HydrophobicContact CG1-CB 4.34Å; I768-L830 HydrophobicContact CG2-CD1 4.11Å; P775-L830 HydrophobicContact CB-CD1 3.61Å; P775-L830 HydrophobicContact CG-CD1 3.56Å; P775-L830 HydrophobicContact CG-CD2 4.34Å; S827-L830 PolarHBondContact O-N 3.38Å; S827-L830 VanDerWaalsContact O-N 3.11Å; A828-L830 PolarHBondContact O-N 3.49Å; A828-L830 VanDerWaalsContact O-N 3.11Å; L830-P832 VanDerWaalsContact C-N 3.29Å; L830-I833 HydrophobicContact CB-CD1 4.3Å; L830-I833 HydrophobicContact CD2-CD1 4.17Å; L830-I833 WeakPolarHBondContact O-CB 3.23Å; L830-I833 WeakPolarHBondContact O-CG1 3.41Å; L830-I833 PolarHBondContact O-N 2.75Å
831	L	98.5	Very high	97.8	Very high	1 Å²	1	2.5 Å²	2.5	1%	0.005	1%	0.014	C	C	.	.	H	α-helix	trans	-58	-32.6	-178	-57.8	179.1	0	0	0	114.1	L604 I605 L608 L623 L762 A828 I833 S834 W835	L604-L831 HydrophobicContact CD2-CB 3.84Å; I605-L831 HydrophobicContact CD1-CD1 4.34Å; I605-L831 HydrophobicContact CG1-CD1 3.79Å; L608-L831 HydrophobicContact CD2-CB 4.08Å; L608-L831 HydrophobicContact CD2-CD2 4.14Å; L623-L831 HydrophobicContact CB-CD1 4.49Å; L623-L831 HydrophobicContact CD1-CD1 3.76Å; L623-L831 HydrophobicContact CD1-CD2 4.13Å; L762-L831 HydrophobicContact CD1-CD2 4.07Å; A828-L831 HydrophobicContact CB-CD1 4.43Å; A828-L831 WeakPolarHBondContact O-CB 3.38Å; A828-L831 WeakPolarHBondContact O-CG 3.48Å; A828-L831 PolarHBondContact O-N 3.19Å; A828-L831 VanDerWaalsContact O-N 3.16Å; L831-I833 PolarHBondContact O-N 2.93Å; L831-S834 PolarHBondContact O-N 3.44Å; L831-W835 PolarHBondContact O-N 3.41Å
832	P	98.5	Very high	97.9	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-55.6	-27.9	172.4	-28.6	37.2	0	0	0	114.9	L122 A580 V586 L604 L830 A836	L122-P832 HydrophobicContact CD1-CB 4.36Å; L122-P832 HydrophobicContact CD2-CB 4.37Å; A580-P832 HydrophobicContact CB-CB 4.04Å; V586-P832 HydrophobicContact CG1-CG 4.15Å; L604-P832 HydrophobicContact CD1-CB 4.27Å; L604-P832 HydrophobicContact CD1-CG 4.02Å; L830-P832 VanDerWaalsContact C-N 3.29Å; P832-A836 WeakPolarHBondContact O-CB 3.41Å; P832-A836 PolarHBondContact O-N 2.94Å
833	I	98.7	Very high	97.9	Very high	1 Å²	1	2.7 Å²	2.7	1%	0.005	2%	0.015	C	C	.	.	H	α-helix	trans	-65.2	-54.8	-179	-58.7	166.3	0	0	0	110.3	E577 L578 C581 S767 I768 L830 L831 W835 A836 Y837	E577-I833 HydrophobicContact CB-CG2 3.95Å; L578-I833 HydrophobicContact CD2-CD1 3.69Å; L578-I833 HydrophobicContact CD2-CG1 4.11Å; C581-I833 VanDerWaalsContact SG-CG1 3.54Å; S767-I833 WeakPolarHBondContact O-CG2 3.46Å; I768-I833 HydrophobicContact CG1-CB 4.1Å; I768-I833 HydrophobicContact CG1-CD1 4.11Å; I768-I833 HydrophobicContact CG1-CG2 4.27Å; L830-I833 HydrophobicContact CB-CD1 4.3Å; L830-I833 HydrophobicContact CD2-CD1 4.17Å; L830-I833 WeakPolarHBondContact O-CB 3.23Å; L830-I833 WeakPolarHBondContact O-CG1 3.41Å; L830-I833 PolarHBondContact O-N 2.75Å; L831-I833 PolarHBondContact O-N 2.93Å; I833-W835 VanDerWaalsContact C-N 3.31Å; I833-W835 PolarHBondContact O-N 3.36Å; I833-A836 WeakPolarHBondContact O-CB 3.26Å; I833-A836 PolarHBondContact O-N 3.18Å; I833-Y837 PolarHBondContact O-N 2.95Å
834	S	98.6	Very high	97.9	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-67.8	-33.6	-179.4	-58	0	0	0	0	112.2	F766 L831 M838	F766-S834 WeakPolarHBondContact CB-OG 3.29Å; F766-S834 WeakPolarHBondContact O-CA 3.41Å; F766-S834 PolarHBondContact O-OG 3.22Å; L831-S834 PolarHBondContact O-N 3.44Å; S834-M838 WeakPolarHBondContact O-CG 3.48Å; S834-M838 PolarHBondContact O-N 2.9Å; S834-M838 VanDerWaalsContact O-N 3.14Å
835	W	98.4	Very high	98	Very high	3 Å²	3	9.1 Å²	9.1	1%	0.011	4%	0.043	C	C	.	.	H	α-helix	trans	-62.4	-45.6	171.7	-178.9	94.2	0	0	0	111.4	L118 L122 L125 L604 L831 I833 M838 R839	L118-W835 HydrophobicContact CD1-CE3 4.35Å; L118-W835 HydrophobicContact CD1-CH2 4.19Å; L118-W835 HydrophobicContact CD1-CZ3 3.63Å; L118-W835 HydrophobicContact CG-CZ3 4.22Å; L122-W835 HydrophobicContact CB-CZ3 4.07Å; L122-W835 HydrophobicContact CD1-CE3 3.98Å; L122-W835 HydrophobicContact CD1-CZ3 3.93Å; L122-W835 HydrophobicContact CG-CZ3 4.4Å; L125-W835 HydrophobicContact CD2-CZ2 4.21Å; L604-W835 HydrophobicContact CD1-CG 4.38Å; L604-W835 HydrophobicContact CD2-CB 4.44Å; L604-W835 HydrophobicContact CG-CB 4.41Å; L604-W835 HydrophobicContact CG-CG 4.17Å; L831-W835 PolarHBondContact O-N 3.41Å; I833-W835 VanDerWaalsContact C-N 3.31Å; I833-W835 PolarHBondContact O-N 3.36Å; W835-M838 PolarHBondContact O-N 3.48Å; W835-R839 HydrophobicContact CD2-CG 4.08Å; W835-R839 HydrophobicContact CE3-CG 4.28Å; W835-R839 HydrophobicContact CH2-CG 4.07Å; W835-R839 HydrophobicContact CZ2-CG 3.88Å; W835-R839 HydrophobicContact CZ3-CG 4.26Å; W835-R839 WeakPolarHBondContact O-CG 3.34Å; W835-R839 PolarHBondContact O-N 2.81Å; W835-R839 VanDerWaalsContact O-N 3.13Å
836	A	98.5	Very high	98.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60.9	-48.3	177.3	0	0	0	0	0	111.6	L118 E577 P832 I833 M838 R839 L840	L118-A836 HydrophobicContact CD2-CB 3.57Å; E577-A836 HydrophobicContact CB-CB 4.02Å; E577-A836 HydrophobicContact CG-CB 4.12Å; P832-A836 WeakPolarHBondContact O-CB 3.41Å; P832-A836 PolarHBondContact O-N 2.94Å; I833-A836 WeakPolarHBondContact O-CB 3.26Å; I833-A836 PolarHBondContact O-N 3.18Å; A836-M838 PolarHBondContact O-N 2.99Å; A836-R839 PolarHBondContact O-N 3.33Å; A836-L840 WeakPolarHBondContact O-CB 3.2Å; A836-L840 VanDerWaalsContact O-CG 3.27Å; A836-L840 WeakPolarHBondContact O-CG 3.27Å; A836-L840 PolarHBondContact O-N 2.82Å
837	Y	98.5	Very high	98.2	Very high	3 Å²	3	11.2 Å²	11.2	1%	0.012	5%	0.052	C	C	.	.	H	α-helix	trans	-52.2	-49.9	175.8	171.6	-104.9	0	0	0	112.5	H69 K571 E577 F766 S767 I833 R839 L840 L841 L846	H69-Y837 AromaticContact CE1-CE2 3.55Å; H69-Y837 AromaticContact NE2-CE2 3.62Å; K571-Y837 PolarHBondContact NZ-OH 2.92Å; E577-Y837 WeakPolarHBondContact OE1-CA 3.3Å; E577-Y837 WeakPolarHBondContact OE1-CD2 3.41Å; F766-Y837 HydrophobicContact CB-CD1 4.31Å; F766-Y837 AromaticContact CD1-CD1 3.85Å; F766-Y837 HydrophobicContact CD1-CD1 3.85Å; F766-Y837 AromaticContact CD1-CE1 3.75Å; F766-Y837 HydrophobicContact CD1-CE1 3.75Å; F766-Y837 HydrophobicContact CE1-CE1 4.43Å; S767-Y837 WeakPolarHBondContact OG-CD2 3.5Å; I833-Y837 PolarHBondContact O-N 2.95Å; Y837-R839 PolarHBondContact O-N 3.25Å; Y837-L840 PolarHBondContact O-N 3.38Å; Y837-L841 HydrophobicContact CD2-CD1 3.81Å; Y837-L841 HydrophobicContact CD2-CG 4.38Å; Y837-L841 HydrophobicContact CE1-CD1 4.18Å; Y837-L841 HydrophobicContact CE2-CD1 3.17Å; Y837-L841 HydrophobicContact CE2-CG 4.17Å; Y837-L841 PolarHBondContact O-N 3.49Å; Y837-L841 VanDerWaalsContact O-N 3.11Å; Y837-L846 HydrophobicContact CD1-CD2 4.02Å; Y837-L846 HydrophobicContact CE1-CD2 3.32Å
838	M	98.2	Very high	98.2	Very high	1 Å²	1	13 Å²	13	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-65.1	-38.7	-179	-69.7	176.7	-173.5	0	0	112.7	L608 D611 I612 I615 F766 S834 W835 A836 G842 L846	L608-M838 HydrophobicContact CD1-CE 3.95Å; L608-M838 HydrophobicContact CD1-SD 3.76Å; D611-M838 HydrophobicContact CB-SD 3.56Å; D611-M838 VanDerWaalsContact CB-SD 3.56Å; I612-M838 HydrophobicContact CG1-CE 3.8Å; I615-M838 HydrophobicContact CD1-CE 3.75Å; I615-M838 HydrophobicContact CD1-CG 4.45Å; I615-M838 HydrophobicContact CD1-SD 4.01Å; F766-M838 HydrophobicContact CD1-CE 3.35Å; F766-M838 HydrophobicContact CE1-CE 3.39Å; F766-M838 HydrophobicContact CG-CE 4.01Å; F766-M838 HydrophobicContact CZ-CE 4.05Å; S834-M838 WeakPolarHBondContact O-CG 3.48Å; S834-M838 PolarHBondContact O-N 2.9Å; S834-M838 VanDerWaalsContact O-N 3.14Å; W835-M838 PolarHBondContact O-N 3.48Å; A836-M838 PolarHBondContact O-N 2.99Å; M838-G842 PolarHBondContact O-N 3.16Å; M838-L846 HydrophobicContact CG-CD1 4.48Å
839	R	97.7	Very high	98.2	Very high	12 Å²	12	13 Å²	13	5%	0.045	6%	0.058	C	C	.	.	H	α-helix	trans	-74.3	-35.9	179.1	-66.3	-68.6	174.5	-111.5	-3.3	112.6	E110 E112 T113 L118 D611 W835 A836 Y837	E110-R839 WeakPolarHBondContact OE2-CD 3.38Å; E110-R839 IonicContact OE2-CZ 3.81Å; E110-R839 IonicContact OE2-NE 3.8Å; E110-R839 PolarHBondContact OE2-NE 3.04Å; E112-R839 WeakPolarHBondContact CA-O 3.27Å; T113-R839 HydrophobicContact CG2-CB 4.28Å; T113-R839 PolarHBondContact N-O 2.84Å; T113-R839 VanDerWaalsContact N-O 3.09Å; L118-R839 HydrophobicContact CD1-CB 3.45Å; L118-R839 VanDerWaalsContact CD1-CB 3.45Å; L118-R839 HydrophobicContact CD1-CG 4.32Å; D611-R839 VanDerWaalsContact CG-NH1 3.29Å; D611-R839 VanDerWaalsContact CG-NH2 3.29Å; D611-R839 IonicContact OD1-CZ 2.61Å; D611-R839 IonicContact OD1-NH1 2.61Å; D611-R839 PolarHBondContact OD1-NH1 3.07Å; D611-R839 IonicContact OD1-NH2 2.6Å; D611-R839 PolarHBondContact OD1-NH2 2.88Å; D611-R839 VanDerWaalsContact OD1-NH2 3.1Å; D611-R839 IonicContact OD2-CZ 2.67Å; D611-R839 IonicContact OD2-NH1 3.25Å; D611-R839 PolarHBondContact OD2-NH1 2.92Å; D611-R839 IonicContact OD2-NH2 2.65Å; D611-R839 PolarHBondContact OD2-NH2 2.76Å; W835-R839 HydrophobicContact CD2-CG 4.08Å; W835-R839 HydrophobicContact CE3-CG 4.28Å; W835-R839 HydrophobicContact CH2-CG 4.07Å; W835-R839 HydrophobicContact CZ2-CG 3.88Å; W835-R839 HydrophobicContact CZ3-CG 4.26Å; W835-R839 WeakPolarHBondContact O-CG 3.34Å; W835-R839 PolarHBondContact O-N 2.81Å; W835-R839 VanDerWaalsContact O-N 3.13Å; A836-R839 PolarHBondContact O-N 3.33Å; Y837-R839 PolarHBondContact O-N 3.25Å
840	L	98.2	Very high	98.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-69.9	-36.5	178	-74	170	0	0	0	112.5	F65 E112 E115 L118 T576 E577 A836 Y837	F65-L840 HydrophobicContact CB-CB 4.04Å; F65-L840 HydrophobicContact CB-CD2 4.18Å; F65-L840 HydrophobicContact CD1-CB 3.38Å; F65-L840 HydrophobicContact CD1-CD1 3.85Å; F65-L840 HydrophobicContact CD1-CG 4.15Å; F65-L840 HydrophobicContact CD2-CD1 4.03Å; F65-L840 HydrophobicContact CE1-CB 3.95Å; F65-L840 HydrophobicContact CE1-CD1 3.8Å; F65-L840 HydrophobicContact CE2-CD1 4Å; F65-L840 HydrophobicContact CG-CB 3.79Å; F65-L840 HydrophobicContact CG-CD1 3.94Å; F65-L840 HydrophobicContact CG-CD2 4.24Å; F65-L840 HydrophobicContact CG-CG 4.21Å; F65-L840 HydrophobicContact CZ-CD1 3.88Å; E112-L840 WeakPolarHBondContact CB-O 3.34Å; E115-L840 HydrophobicContact CB-CD2 4.44Å; E115-L840 HydrophobicContact CG-CD2 3.93Å; L118-L840 HydrophobicContact CB-CD2 3.94Å; L118-L840 HydrophobicContact CD1-CD2 4.45Å; L118-L840 HydrophobicContact CD1-CG 4.23Å; L118-L840 HydrophobicContact CD2-CD1 3.64Å; L118-L840 HydrophobicContact CD2-CD2 3.77Å; L118-L840 HydrophobicContact CD2-CG 3.54Å; L118-L840 HydrophobicContact CG-CD2 4.25Å; L118-L840 HydrophobicContact CG-CG 4.28Å; T576-L840 HydrophobicContact CG2-CD1 4.19Å; E577-L840 HydrophobicContact CG-CD1 3.96Å; A836-L840 WeakPolarHBondContact O-CB 3.2Å; A836-L840 VanDerWaalsContact O-CG 3.27Å; A836-L840 WeakPolarHBondContact O-CG 3.27Å; A836-L840 PolarHBondContact O-N 2.82Å; Y837-L840 PolarHBondContact O-N 3.38Å
841	L	98.1	Very high	98.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-88.5	-31.2	-179.6	-68	-174.2	0	0	0	113.9	F65 V66 H69 Y837 G845 L846	F65-L841 HydrophobicContact CD1-CD2 3.8Å; F65-L841 HydrophobicContact CD1-CG 4.29Å; F65-L841 HydrophobicContact CE1-CD2 4.29Å; V66-L841 HydrophobicContact CB-CD2 4.25Å; V66-L841 HydrophobicContact CG2-CD2 3.79Å; H69-L841 HydrophobicContact CB-CD2 4.05Å; Y837-L841 HydrophobicContact CD2-CD1 3.81Å; Y837-L841 HydrophobicContact CD2-CG 4.38Å; Y837-L841 HydrophobicContact CE1-CD1 4.18Å; Y837-L841 HydrophobicContact CE2-CD1 3.17Å; Y837-L841 HydrophobicContact CE2-CG 4.17Å; Y837-L841 PolarHBondContact O-N 3.49Å; Y837-L841 VanDerWaalsContact O-N 3.11Å; L841-G845 WeakPolarHBondContact O-CA 3.37Å; L841-G845 PolarHBondContact O-N 3.08Å; L841-L846 HydrophobicContact CB-CD2 4.22Å; L841-L846 HydrophobicContact CB-CG 3.99Å; L841-L846 HydrophobicContact CD1-CD2 3.93Å; L841-L846 HydrophobicContact CD1-CG 4.47Å
842	G	97.4	Very high	98.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	60.1	-176.5	-172.6	0	0	0	0	0	113.2	M838 K844 L846	M838-G842 PolarHBondContact O-N 3.16Å; G842-K844 PolarHBondContact O-N 3.27Å; G842-L846 WeakPolarHBondContact O-CB 3.34Å; G842-L846 WeakPolarHBondContact O-CD1 3.21Å; G842-L846 WeakPolarHBondContact O-CG 3.42Å; G842-L846 PolarHBondContact O-N 2.97Å
843	P	97.9	Very high	98.2	Very high	10 Å²	10	13.2 Å²	13.2	7%	0.065	6%	0.058	C	C	.	.	H	α-helix	trans	-63.7	-38	-175.8	25.3	-34.5	0	0	0	113	L107 L109 E110 K847	L107-P843 HydrophobicContact CB-CB 3.97Å; L107-P843 WeakPolarHBondContact O-CB 3.34Å; L109-P843 HydrophobicContact CB-CB 4.39Å; E110-P843 VanDerWaalsContact O-CD 3.22Å; E110-P843 WeakPolarHBondContact O-CD 3.46Å; P843-K847 WeakPolarHBondContact O-CB 3.35Å; P843-K847 PolarHBondContact O-N 2.73Å
844	K	96.9	Very high	98.3	Very high	135 Å²	135	13.2 Å²	13.2	59%	0.587	6%	0.058	S	C	*	.	H	α-helix	trans	-73.6	-44.5	-179.2	-67.9	-180	-178.1	173.5	0	112.1	G842 K847 R848	G842-K844 PolarHBondContact O-N 3.27Å; K844-K847 PolarHBondContact O-N 3.23Å; K844-R848 VanDerWaalsContact O-CB 3.3Å; K844-R848 WeakPolarHBondContact O-CB 3.31Å; K844-R848 PolarHBondContact O-N 3.03Å
845	G	97.7	Very high	98.3	Very high	3 Å²	3	13.2 Å²	13.2	3%	0.031	6%	0.058	C	C	.	.	H	α-helix	trans	-65.4	-39	177.8	0	0	0	0	0	112.2	L841 R848 A849	L841-G845 WeakPolarHBondContact O-CA 3.37Å; L841-G845 PolarHBondContact O-N 3.08Å; G845-R848 PolarHBondContact O-N 3.36Å; G845-A849 WeakPolarHBondContact O-CB 3.48Å; G845-A849 PolarHBondContact O-N 2.94Å
846	L	98.5	Very high	98.3	Very high	1 Å²	1	13 Å²	13	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-61.7	-47.2	174.3	-74	169.8	0	0	0	112	L109 I615 V745 Y837 M838 L841 G842 R848 A849 S850	L109-L846 HydrophobicContact CD1-CD1 3.53Å; I615-L846 HydrophobicContact CD1-CD1 4.34Å; V745-L846 HydrophobicContact CG1-CB 3.9Å; V745-L846 HydrophobicContact CG1-CD2 4.37Å; Y837-L846 HydrophobicContact CD1-CD2 4.02Å; Y837-L846 HydrophobicContact CE1-CD2 3.32Å; M838-L846 HydrophobicContact CG-CD1 4.48Å; L841-L846 HydrophobicContact CB-CD2 4.22Å; L841-L846 HydrophobicContact CB-CG 3.99Å; L841-L846 HydrophobicContact CD1-CD2 3.93Å; L841-L846 HydrophobicContact CD1-CG 4.47Å; G842-L846 WeakPolarHBondContact O-CB 3.34Å; G842-L846 WeakPolarHBondContact O-CD1 3.21Å; G842-L846 WeakPolarHBondContact O-CG 3.42Å; G842-L846 PolarHBondContact O-N 2.97Å; L846-R848 VanDerWaalsContact C-N 3.33Å; L846-R848 PolarHBondContact O-N 2.96Å; L846-A849 WeakPolarHBondContact O-CB 3.41Å; L846-A849 PolarHBondContact O-N 3.45Å; L846-S850 PolarHBondContact O-N 3.47Å
847	K	98.4	Very high	98.3	Very high	54 Å²	54	13 Å²	13	24%	0.235	6%	0.058	C	C	.	.	H	α-helix	trans	-59.6	-45	174.3	-178.7	176.1	-177.1	174.6	0	111.4	D106 L747 P843 K844 A849 S850 Q851	D106-K847 IonicContact OD1-NZ 3.28Å; D106-K847 PolarHBondContact OD1-NZ 3.17Å; L747-K847 HydrophobicContact CD2-CG 3.99Å; P843-K847 WeakPolarHBondContact O-CB 3.35Å; P843-K847 PolarHBondContact O-N 2.73Å; K844-K847 PolarHBondContact O-N 3.23Å; K847-A849 VanDerWaalsContact C-N 3.33Å; K847-A849 PolarHBondContact O-N 3.25Å; K847-S850 PolarHBondContact O-N 2.76Å; K847-Q851 VanDerWaalsContact O-CG 3.29Å; K847-Q851 WeakPolarHBondContact O-CG 3.47Å; K847-Q851 PolarHBondContact O-N 3.32Å
848	R	98	Very high	98.3	Very high	39 Å²	39	13.1 Å²	13.1	15%	0.147	6%	0.058	C	C	.	.	H	α-helix	trans	-62.4	-39.1	178.7	-173.5	59.8	166.9	178.6	-6.1	111.9	I70 E74 K844 G845 L846 Q851 T852	I70-R848 HydrophobicContact CD1-CB 4.02Å; I70-R848 HydrophobicContact CD1-CG 3.55Å; E74-R848 IonicContact OE1-CZ 3.39Å; E74-R848 IonicContact OE1-NE 3.27Å; E74-R848 IonicContact OE1-NH2 2.83Å; E74-R848 PolarHBondContact OE1-NH2 3.29Å; E74-R848 IonicContact OE2-NH2 3.65Å; E74-R848 PolarHBondContact OE2-NH2 3.3Å; K844-R848 VanDerWaalsContact O-CB 3.3Å; K844-R848 WeakPolarHBondContact O-CB 3.31Å; K844-R848 PolarHBondContact O-N 3.03Å; G845-R848 PolarHBondContact O-N 3.36Å; L846-R848 VanDerWaalsContact C-N 3.33Å; L846-R848 PolarHBondContact O-N 2.96Å; R848-Q851 PolarHBondContact O-N 3.33Å; R848-T852 PolarHBondContact O-N 2.91Å; R848-T852 PolarHBondContact O-OG1 3.17Å; R848-T852 VanDerWaalsContact O-OG1 3.09Å
849	A	98.6	Very high	98.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.6	-51.9	174.6	0	0	0	0	0	111.1	I70 G845 L846 K847 Q851 T852 A853 E928	I70-A849 HydrophobicContact CD1-CB 4.42Å; G845-A849 WeakPolarHBondContact O-CB 3.48Å; G845-A849 PolarHBondContact O-N 2.94Å; L846-A849 WeakPolarHBondContact O-CB 3.41Å; L846-A849 PolarHBondContact O-N 3.45Å; K847-A849 VanDerWaalsContact C-N 3.33Å; K847-A849 PolarHBondContact O-N 3.25Å; A849-Q851 PolarHBondContact O-N 2.78Å; A849-T852 PolarHBondContact O-N 3.36Å; A849-A853 PolarHBondContact O-N 3Å; A849-E928 HydrophobicContact CB-CB 4.48Å; A849-E928 HydrophobicContact CB-CG 3.84Å; A849-E928 VanDerWaalsContact O-CB 3.27Å; A849-E928 WeakPolarHBondContact O-CB 3.47Å
850	S	98.7	Very high	98.4	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.007	6%	0.057	C	C	.	.	H	α-helix	trans	-60.5	-42	176	-72	0	0	0	0	112.8	N742 V745 L846 K847 T852 A853 L854	N742-S850 WeakPolarHBondContact O-CA 3.46Å; N742-S850 VanDerWaalsContact O-CB 3.24Å; N742-S850 WeakPolarHBondContact O-CB 3.44Å; N742-S850 PolarHBondContact O-OG 2.58Å; V745-S850 WeakPolarHBondContact CB-OG 3.35Å; V745-S850 PolarHBondContact N-OG 2.76Å; V745-S850 WeakPolarHBondContact O-CB 3.27Å; V745-S850 PolarHBondContact O-OG 3.08Å; L846-S850 PolarHBondContact O-N 3.47Å; K847-S850 PolarHBondContact O-N 2.76Å; S850-T852 PolarHBondContact O-N 3.05Å; S850-A853 PolarHBondContact O-N 3.06Å; S850-L854 WeakPolarHBondContact O-CG 3.49Å; S850-L854 PolarHBondContact O-N 3.21Å; S850-L854 VanDerWaalsContact O-N 3.13Å
851	Q	98.7	Very high	98.4	Very high	15 Å²	15	13 Å²	13	7%	0.07	6%	0.058	C	C	.	.	H	α-helix	trans	-60.1	-44.3	176	-71.1	176.3	-32.9	0	0	112.5	I89 I93 L747 K847 R848 A849 L854 L855	I89-Q851 HydrophobicContact CD1-CB 4.25Å; I89-Q851 HydrophobicContact CG1-CB 3.86Å; I89-Q851 HydrophobicContact CG1-CG 4.21Å; I93-Q851 HydrophobicContact CD1-CB 4.24Å; I93-Q851 HydrophobicContact CD1-CG 3.92Å; I93-Q851 HydrophobicContact CG1-CG 4.05Å; L747-Q851 HydrophobicContact CD1-CG 4.35Å; L747-Q851 HydrophobicContact CD2-CG 3.9Å; K847-Q851 VanDerWaalsContact O-CG 3.29Å; K847-Q851 WeakPolarHBondContact O-CG 3.47Å; K847-Q851 PolarHBondContact O-N 3.32Å; R848-Q851 PolarHBondContact O-N 3.33Å; A849-Q851 PolarHBondContact O-N 2.78Å; Q851-L854 PolarHBondContact O-N 2.9Å; Q851-L855 PolarHBondContact O-N 2.9Å
852	T	98.7	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-70.9	-35.3	179.7	-57.7	0	0	0	0	111.9	I70 P72 R848 A849 S850 L854 L855 N856 E928	I70-T852 HydrophobicContact CG2-CG2 3.76Å; P72-T852 HydrophobicContact CG-CG2 3.88Å; R848-T852 PolarHBondContact O-N 2.91Å; R848-T852 PolarHBondContact O-OG1 3.17Å; R848-T852 VanDerWaalsContact O-OG1 3.09Å; A849-T852 PolarHBondContact O-N 3.36Å; S850-T852 PolarHBondContact O-N 3.05Å; T852-L854 VanDerWaalsContact C-N 3.33Å; T852-L854 PolarHBondContact O-N 2.88Å; T852-L855 PolarHBondContact O-N 3.39Å; T852-N856 WeakPolarHBondContact O-CB 2.97Å; T852-N856 PolarHBondContact O-N 2.99Å; T852-N856 PolarHBondContact O-OD1 2.68Å; T852-E928 HydrophobicContact CG2-CB 4.31Å
853	A	98.8	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.3	-44	172.7	0	0	0	0	0	111.8	A849 S850 A857 H881 E928	A849-A853 PolarHBondContact O-N 3Å; S850-A853 PolarHBondContact O-N 3.06Å; A853-A857 PolarHBondContact O-N 3.21Å; A853-H881 HydrophobicContact CB-CB 4.49Å; A853-E928 HydrophobicContact CB-CB 4.22Å
854	L	98.8	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.6	-43.3	173.8	-63.2	175.2	0	0	0	111.7	F92 I93 V96 I97 F716 A743 L747 S850 Q851 T852 N858 A880 H881	F92-L854 HydrophobicContact CE1-CB 3.96Å; F92-L854 HydrophobicContact CZ-CB 4.36Å; I93-L854 HydrophobicContact CD1-CB 4.43Å; I93-L854 HydrophobicContact CD1-CD1 3.48Å; I93-L854 VanDerWaalsContact CD1-CD1 3.48Å; V96-L854 HydrophobicContact CG1-CD1 4.15Å; V96-L854 HydrophobicContact CG1-CD2 4.12Å; I97-L854 HydrophobicContact CD1-CD1 4.08Å; I97-L854 HydrophobicContact CG1-CD1 4.47Å; F716-L854 HydrophobicContact CE2-CD2 4.09Å; A743-L854 HydrophobicContact CB-CD2 4.02Å; L747-L854 HydrophobicContact CD1-CD1 3.71Å; S850-L854 WeakPolarHBondContact O-CG 3.49Å; S850-L854 PolarHBondContact O-N 3.21Å; S850-L854 VanDerWaalsContact O-N 3.13Å; Q851-L854 PolarHBondContact O-N 2.9Å; T852-L854 VanDerWaalsContact C-N 3.33Å; T852-L854 PolarHBondContact O-N 2.88Å; L854-N858 PolarHBondContact O-N 2.75Å; L854-N858 VanDerWaalsContact O-N 3.09Å; L854-N858 PolarHBondContact O-ND2 2.69Å; L854-A880 HydrophobicContact CD2-CB 4.15Å; L854-H881 HydrophobicContact CD2-CB 4.33Å
855	L	98.9	Very high	98.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.4	-45.8	179.9	179.9	61.7	0	0	0	112.1	I77 M80 L81 I89 F92 Q851 T852 A857 N858 Y859	I77-L855 HydrophobicContact CB-CD2 4.33Å; I77-L855 HydrophobicContact CG1-CD2 4.47Å; I77-L855 HydrophobicContact CG2-CD2 3.76Å; M80-L855 HydrophobicContact CB-CD1 4.2Å; M80-L855 HydrophobicContact CB-CD2 4.06Å; M80-L855 HydrophobicContact CB-CG 4.12Å; M80-L855 HydrophobicContact CE-CG 4.28Å; L81-L855 HydrophobicContact CD2-CD1 3.83Å; L81-L855 HydrophobicContact CD2-CD2 4.33Å; L81-L855 HydrophobicContact CG-CD1 4.1Å; L81-L855 HydrophobicContact CG-CD2 4Å; I89-L855 HydrophobicContact CD1-CB 4.33Å; I89-L855 HydrophobicContact CD1-CD2 4.18Å; F92-L855 HydrophobicContact CE1-CB 4.07Å; F92-L855 HydrophobicContact CE1-CD1 4.36Å; F92-L855 HydrophobicContact CZ-CD1 4.45Å; Q851-L855 PolarHBondContact O-N 2.9Å; T852-L855 PolarHBondContact O-N 3.39Å; L855-A857 VanDerWaalsContact C-N 3.35Å; L855-A857 PolarHBondContact O-N 2.85Å; L855-N858 PolarHBondContact O-N 2.73Å; L855-Y859 VanDerWaalsContact O-CB 3.23Å; L855-Y859 WeakPolarHBondContact O-CB 3.32Å; L855-Y859 PolarHBondContact O-N 2.71Å
856	N	98.8	Very high	98.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58.3	-47.2	178.9	-77.1	4.2	0	0	0	110.9	P72 M80 T852 Y859 M860 P926 T927 E930	P72-N856 WeakPolarHBondContact CG-OD1 3.25Å; M80-N856 HydrophobicContact CE-CB 4.38Å; M80-N856 WeakPolarHBondContact CE-OD1 3.39Å; T852-N856 WeakPolarHBondContact O-CB 2.97Å; T852-N856 PolarHBondContact O-N 2.99Å; T852-N856 PolarHBondContact O-OD1 2.68Å; N856-Y859 PolarHBondContact O-N 3.24Å; N856-M860 WeakPolarHBondContact O-CG 3.37Å; N856-M860 PolarHBondContact O-N 2.96Å; N856-P926 HydrophobicContact CB-CB 4.27Å; N856-P926 HydrophobicContact CB-CG 3.73Å; N856-T927 PolarHBondContact ND2-O 3.12Å; N856-E930 PolarHBondContact ND2-O 3.36Å
857	A	98.9	Very high	98.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-47.2	177.6	0	0	0	0	0	112.5	A853 L855 M860 L861 A880 H881 F883 P926	A853-A857 PolarHBondContact O-N 3.21Å; L855-A857 VanDerWaalsContact C-N 3.35Å; L855-A857 PolarHBondContact O-N 2.85Å; A857-M860 PolarHBondContact O-N 2.98Å; A857-L861 WeakPolarHBondContact O-CB 3.47Å; A857-L861 PolarHBondContact O-N 2.99Å; A857-A880 WeakPolarHBondContact CB-O 3.45Å; A857-H881 VanDerWaalsContact CB-C 3.46Å; A857-H881 WeakPolarHBondContact CB-O 3.36Å; A857-F883 HydrophobicContact CB-CD1 4.38Å; A857-F883 WeakPolarHBondContact O-CE1 3.4Å; A857-P926 HydrophobicContact CB-CG 4.26Å
858	N	98.8	Very high	98.3	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-70.1	-34	-179.7	-80.4	-84.8	0	0	0	113.3	F92 L854 L855 L861 K862 M878 C879	F92-N858 HydrophobicContact CE2-CB 3.81Å; F92-N858 HydrophobicContact CZ-CB 3.78Å; L854-N858 PolarHBondContact O-N 2.75Å; L854-N858 VanDerWaalsContact O-N 3.09Å; L854-N858 PolarHBondContact O-ND2 2.69Å; L855-N858 PolarHBondContact O-N 2.73Å; N858-L861 PolarHBondContact O-N 3.05Å; N858-K862 WeakPolarHBondContact O-CB 3.26Å; N858-K862 PolarHBondContact O-N 3.24Å; N858-M878 VanDerWaalsContact OD1-CA 3.27Å; N858-M878 WeakPolarHBondContact OD1-CA 3.47Å; N858-M878 WeakPolarHBondContact OD1-CB 3.39Å; N858-M878 PolarHBondContact OD1-SD 2.98Å; N858-C879 PolarHBondContact ND2-O 3.3Å; N858-C879 PolarHBondContact OD1-N 3.38Å
859	Y	98.8	Very high	98.2	Very high	8 Å²	8	28.8 Å²	28.8	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-60.3	-49.9	172.5	171.2	-103.1	0	0	0	111.1	M80 F83 L855 N856 K862 R863 K932 C935 D936	M80-Y859 HydrophobicContact CB-CD2 3.92Å; M80-Y859 HydrophobicContact CB-CG 4.26Å; M80-Y859 HydrophobicContact CE-CD1 3.73Å; M80-Y859 HydrophobicContact CE-CD2 4.4Å; M80-Y859 HydrophobicContact CE-CG 3.65Å; M80-Y859 HydrophobicContact CG-CD1 4.33Å; M80-Y859 HydrophobicContact CG-CD2 3.7Å; M80-Y859 HydrophobicContact CG-CE2 3.95Å; M80-Y859 HydrophobicContact CG-CG 3.91Å; F83-Y859 HydrophobicContact CB-CD2 4.31Å; F83-Y859 HydrophobicContact CB-CE2 4.19Å; F83-Y859 AromaticContact CD1-CD2 3.56Å; F83-Y859 HydrophobicContact CD1-CD2 3.56Å; F83-Y859 AromaticContact CD1-CE2 3.62Å; F83-Y859 HydrophobicContact CD1-CE2 3.62Å; F83-Y859 HydrophobicContact CE1-CD2 4.25Å; F83-Y859 HydrophobicContact CE1-CE2 4.19Å; F83-Y859 HydrophobicContact CG-CD2 4.2Å; F83-Y859 AromaticContact CG-CE2 3.95Å; F83-Y859 HydrophobicContact CG-CE2 3.95Å; L855-Y859 VanDerWaalsContact O-CB 3.23Å; L855-Y859 WeakPolarHBondContact O-CB 3.32Å; L855-Y859 PolarHBondContact O-N 2.71Å; N856-Y859 PolarHBondContact O-N 3.24Å; Y859-K862 PolarHBondContact O-N 2.82Å; Y859-R863 HydrophobicContact CE1-CG 4.42Å; Y859-R863 HydrophobicContact CE2-CG 4.4Å; Y859-R863 PolarHBondContact O-N 3.36Å; Y859-K932 HydrophobicContact CE1-CG 4.33Å; Y859-K932 WeakPolarHBondContact OH-CE 3.47Å; Y859-K932 PolarHBondContact OH-NZ 2.92Å; Y859-C935 HydrophobicContact CD1-CB 4.46Å; Y859-C935 HydrophobicContact CE1-CB 4.46Å; Y859-D936 VanDerWaalsContact CE1-OD1 3.26Å; Y859-D936 WeakPolarHBondContact CE1-OD1 3.4Å; Y859-D936 VanDerWaalsContact CZ-OD1 3.29Å; Y859-D936 PolarHBondContact OH-OD1 3.45Å
860	M	98.8	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-43.3	177.3	-72.5	-176.9	70.2	0	0	112.2	M562 N856 A857 K862 R863 L864 F883 I924 P926 C935 L938	M562-M860 HydrophobicContact CE-CE 4.44Å; N856-M860 WeakPolarHBondContact O-CG 3.37Å; N856-M860 PolarHBondContact O-N 2.96Å; A857-M860 PolarHBondContact O-N 2.98Å; M860-K862 VanDerWaalsContact C-N 3.33Å; M860-K862 PolarHBondContact O-N 3.26Å; M860-R863 PolarHBondContact O-N 3.33Å; M860-L864 WeakPolarHBondContact O-CB 3.29Å; M860-L864 WeakPolarHBondContact O-CG 3.44Å; M860-L864 PolarHBondContact O-N 2.72Å; M860-F883 HydrophobicContact CB-CE1 3.84Å; M860-F883 HydrophobicContact CB-CZ 3.88Å; M860-I924 HydrophobicContact CE-CG2 3.79Å; M860-I924 HydrophobicContact SD-CG2 4.48Å; M860-P926 HydrophobicContact SD-CB 3.61Å; M860-P926 HydrophobicContact SD-CG 3.78Å; M860-C935 HydrophobicContact CG-CB 3.96Å; M860-C935 HydrophobicContact SD-CB 4.07Å; M860-L938 HydrophobicContact CE-CB 4.17Å; M860-L938 HydrophobicContact CE-CD2 3.52Å; M860-L938 HydrophobicContact CE-CG 3.91Å
861	L	98.5	Very high	97.9	Very high	2 Å²	2	33 Å²	33	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-54.4	-51.8	174.7	-169.7	168.5	0	0	0	110	A857 N858 R863 L864 R865 I870 V873 C879 F883	A857-L861 WeakPolarHBondContact O-CB 3.47Å; A857-L861 PolarHBondContact O-N 2.99Å; N858-L861 PolarHBondContact O-N 3.05Å; L861-R863 VanDerWaalsContact C-N 3.32Å; L861-R863 PolarHBondContact O-N 2.89Å; L861-L864 PolarHBondContact O-N 3.25Å; L861-L864 VanDerWaalsContact O-N 3.1Å; L861-R865 HydrophobicContact CD2-CB 4.49Å; L861-R865 VanDerWaalsContact CD2-CZ 3.45Å; L861-R865 VanDerWaalsContact CD2-NE 3.3Å; L861-R865 WeakPolarHBondContact O-CB 3.21Å; L861-R865 PolarHBondContact O-N 2.9Å; L861-I870 HydrophobicContact CD1-CG2 4.1Å; L861-I870 HydrophobicContact CD2-CD1 4.48Å; L861-I870 HydrophobicContact CD2-CG1 4.01Å; L861-I870 HydrophobicContact CD2-CG2 4.39Å; L861-I870 HydrophobicContact CG-CD1 4.31Å; L861-I870 HydrophobicContact CG-CG1 4.26Å; L861-I870 HydrophobicContact CG-CG2 4.2Å; L861-V873 HydrophobicContact CD1-CG1 3.99Å; L861-C879 HydrophobicContact CD1-CB 3.63Å; L861-C879 VanDerWaalsContact CD1-SG 3.51Å; L861-F883 HydrophobicContact CB-CD1 4.1Å; L861-F883 HydrophobicContact CB-CD2 4.1Å; L861-F883 HydrophobicContact CB-CE1 4.25Å; L861-F883 HydrophobicContact CB-CE2 4.23Å; L861-F883 HydrophobicContact CB-CG 4.04Å; L861-F883 HydrophobicContact CB-CZ 4.31Å; L861-F883 HydrophobicContact CD1-CB 3.83Å; L861-F883 HydrophobicContact CD1-CD2 4.37Å; L861-F883 HydrophobicContact CD1-CG 4.06Å; L861-F883 HydrophobicContact CG-CB 4.39Å; L861-F883 HydrophobicContact CG-CD2 4.01Å; L861-F883 HydrophobicContact CG-CE2 4.48Å; L861-F883 HydrophobicContact CG-CG 4.11Å
862	K	98.2	Very high	97.7	Very high	85 Å²	85	33.8 Å²	33.8	37%	0.37	15%	0.153	S	C	.	.	H	α-helix	trans	-61.2	-38.4	-179.4	-172.8	170.5	-172.7	169.2	0	112.4	F83 C84 N858 Y859 M860 L864	F83-K862 HydrophobicContact CD1-CB 4.42Å; F83-K862 HydrophobicContact CD1-CD 3.96Å; F83-K862 HydrophobicContact CD1-CG 4.26Å; F83-K862 HydrophobicContact CE1-CB 3.85Å; F83-K862 HydrophobicContact CE1-CD 3.84Å; F83-K862 HydrophobicContact CE1-CG 3.64Å; F83-K862 HydrophobicContact CZ-CG 4.26Å; F83-K862 VanDerWaalsContact O-CD 3.3Å; F83-K862 WeakPolarHBondContact O-CD 3.35Å; F83-K862 WeakPolarHBondContact O-CE 3.46Å; F83-K862 PolarHBondContact O-NZ 3.26Å; C84-K862 PolarHBondContact O-NZ 2.85Å; N858-K862 WeakPolarHBondContact O-CB 3.26Å; N858-K862 PolarHBondContact O-N 3.24Å; Y859-K862 PolarHBondContact O-N 2.82Å; M860-K862 VanDerWaalsContact C-N 3.33Å; M860-K862 PolarHBondContact O-N 3.26Å; K862-L864 VanDerWaalsContact C-N 3.32Å; K862-L864 PolarHBondContact O-N 3.35Å
863	R	98.2	Very high	97.5	Very high	51 Å²	51	36.1 Å²	36.1	19%	0.192	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-33.1	174.7	-77.3	-157.3	64.4	-172.1	-7.8	113.5	F83 Y859 M860 L861 D936 C939 E940	F83-R863 HydrophobicContact CE1-CG 3.67Å; F83-R863 HydrophobicContact CZ-CG 3.82Å; Y859-R863 HydrophobicContact CE1-CG 4.42Å; Y859-R863 HydrophobicContact CE2-CG 4.4Å; Y859-R863 PolarHBondContact O-N 3.36Å; M860-R863 PolarHBondContact O-N 3.33Å; L861-R863 VanDerWaalsContact C-N 3.32Å; L861-R863 PolarHBondContact O-N 2.89Å; R863-D936 IonicContact CZ-OD1 3.14Å; R863-D936 VanDerWaalsContact NH1-CG 3.26Å; R863-D936 IonicContact NH1-OD1 2.76Å; R863-D936 PolarHBondContact NH1-OD1 3.11Å; R863-C939 HydrophobicContact CB-CB 4.32Å; R863-E940 IonicContact NH2-OE2 2.72Å; R863-E940 PolarHBondContact NH2-OE2 3.05Å
864	L	98.5	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-94.3	-16.5	-173.8	-68.2	173.2	0	0	0	114.1	M860 L861 K862 D866 Y867 Y868 F883 I924 C939 L942 I943	M860-L864 WeakPolarHBondContact O-CB 3.29Å; M860-L864 WeakPolarHBondContact O-CG 3.44Å; M860-L864 PolarHBondContact O-N 2.72Å; L861-L864 PolarHBondContact O-N 3.25Å; L861-L864 VanDerWaalsContact O-N 3.1Å; K862-L864 VanDerWaalsContact C-N 3.32Å; K862-L864 PolarHBondContact O-N 3.35Å; L864-D866 PolarHBondContact O-N 3.44Å; L864-Y867 PolarHBondContact O-N 3.29Å; L864-Y868 HydrophobicContact CD2-CD2 4.33Å; L864-Y868 PolarHBondContact O-N 2.9Å; L864-F883 HydrophobicContact CD1-CE2 4.1Å; L864-F883 HydrophobicContact CD1-CZ 3.97Å; L864-I924 HydrophobicContact CD1-CD1 4.19Å; L864-C939 HydrophobicContact CD2-CB 4.26Å; L864-C939 HydrophobicContact CG-CB 4.48Å; L864-L942 HydrophobicContact CD1-CD1 3.7Å; L864-L942 HydrophobicContact CD2-CB 3.84Å; L864-L942 HydrophobicContact CD2-CD1 4.21Å; L864-I943 HydrophobicContact CD2-CG1 4.11Å
865	R	96.8	Very high	96.9	Very high	105 Å²	105	44.3 Å²	44.3	40%	0.396	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.8	-172.9	-170.7	179.2	-77.8	175.9	-4.4	114.2	L861 Y867 I870 G877	L861-R865 HydrophobicContact CD2-CB 4.49Å; L861-R865 VanDerWaalsContact CD2-CZ 3.45Å; L861-R865 VanDerWaalsContact CD2-NE 3.3Å; L861-R865 WeakPolarHBondContact O-CB 3.21Å; L861-R865 PolarHBondContact O-N 2.9Å; R865-Y867 VanDerWaalsContact C-N 3.3Å; R865-I870 HydrophobicContact CB-CG1 4.3Å; R865-I870 HydrophobicContact CG-CG1 4.15Å; R865-G877 PolarHBondContact NH2-O 3.25Å
866	D	95.9	Very high	96.6	Very high	148 Å²	148	46.6 Å²	46.6	79%	0.791	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-9.8	177	-64.9	-23.7	0	0	0	113.3	L864	L864-D866 PolarHBondContact O-N 3.44Å
867	Y	97.5	Very high	96.4	Very high	102 Å²	102	47.4 Å²	47.4	40%	0.4	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-32.6	-173.9	-62.2	-87.6	0	0	0	112.8	L864 R865 I943 R946	L864-Y867 PolarHBondContact O-N 3.29Å; R865-Y867 VanDerWaalsContact C-N 3.3Å; Y867-I943 HydrophobicContact CD1-CB 4.5Å; Y867-I943 HydrophobicContact CD1-CG1 4.21Å; Y867-I943 HydrophobicContact CD1-CG2 3.99Å; Y867-I943 HydrophobicContact CD2-CD1 4.04Å; Y867-I943 HydrophobicContact CD2-CG1 3.7Å; Y867-I943 HydrophobicContact CE1-CB 4.48Å; Y867-I943 HydrophobicContact CE1-CG1 4.3Å; Y867-I943 HydrophobicContact CE1-CG2 3.58Å; Y867-I943 HydrophobicContact CE2-CD1 3.73Å; Y867-I943 HydrophobicContact CE2-CG1 3.79Å; Y867-I943 HydrophobicContact CE2-CG2 4.37Å; Y867-I943 HydrophobicContact CG-CG1 3.9Å; Y867-R946 HydrophobicContact CD1-CG 4.34Å; Y867-R946 VanDerWaalsContact O-CD 3.24Å; Y867-R946 WeakPolarHBondContact O-CD 3.46Å; Y867-R946 PolarHBondContact O-NE 3.2Å
868	Y	97.4	Very high	96.3	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.008	26%	0.255	C	S	.	.	S	Bend	trans	-130	142.5	-177.8	-67.1	-88.3	0	0	0	110.8	L864 I870 I885 F890 L942 R946	L864-Y868 HydrophobicContact CD2-CD2 4.33Å; L864-Y868 PolarHBondContact O-N 2.9Å; Y868-I870 PolarHBondContact O-N 3.37Å; Y868-I885 HydrophobicContact CD1-CD1 4.17Å; Y868-I885 HydrophobicContact CE1-CD1 4.43Å; Y868-I885 HydrophobicContact CG-CD1 4.31Å; Y868-F890 AromaticContact CD1-CE2 3.88Å; Y868-F890 HydrophobicContact CD1-CE2 3.88Å; Y868-F890 AromaticContact CD1-CZ 3.96Å; Y868-F890 HydrophobicContact CD1-CZ 3.96Å; Y868-F890 AromaticContact CE1-CE2 3.75Å; Y868-F890 HydrophobicContact CE1-CE2 3.75Å; Y868-F890 AromaticContact CE1-CZ 3.94Å; Y868-F890 HydrophobicContact CE1-CZ 3.94Å; Y868-L942 HydrophobicContact CE2-CB 3.93Å; Y868-L942 WeakPolarHBondContact CE2-O 3.38Å; Y868-L942 PolarHBondContact OH-O 3.47Å; Y868-R946 HydrophobicContact CE2-CB 3.95Å; Y868-R946 PolarHBondContact OH-N 2.8Å
869	N	95.9	Very high	96.2	Very high	81 Å²	81	48.5 Å²	48.5	43%	0.433	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131.1	171.2	-65.3	-20.7	0	0	0	109	I885 D886 Q889	N869-I885 WeakPolarHBondContact O-CA 3.47Å; N869-D886 HydrophobicContact CB-CB 4.06Å; N869-D886 PolarHBondContact O-N 3.2Å; N869-Q889 PolarHBondContact ND2-NE2 2.67Å; N869-Q889 PolarHBondContact ND2-OE1 2.77Å; N869-Q889 VanDerWaalsContact ND2-OE1 3.14Å
870	I	96.2	Very high	96.2	Very high	34 Å²	34	48.1 Å²	48.1	17%	0.174	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.1	175	-51.7	-56	0	0	0	108.1	L861 R865 Y868 V873 F883 I885	L861-I870 HydrophobicContact CD1-CG2 4.1Å; L861-I870 HydrophobicContact CD2-CD1 4.48Å; L861-I870 HydrophobicContact CD2-CG1 4.01Å; L861-I870 HydrophobicContact CD2-CG2 4.39Å; L861-I870 HydrophobicContact CG-CD1 4.31Å; L861-I870 HydrophobicContact CG-CG1 4.26Å; L861-I870 HydrophobicContact CG-CG2 4.2Å; R865-I870 HydrophobicContact CB-CG1 4.3Å; R865-I870 HydrophobicContact CG-CG1 4.15Å; Y868-I870 PolarHBondContact O-N 3.37Å; I870-V873 HydrophobicContact CG2-CG1 4.04Å; I870-F883 HydrophobicContact CD1-CD2 4.26Å; I870-F883 HydrophobicContact CD1-CE2 4.45Å; I870-I885 HydrophobicContact CD1-CG2 3.78Å
871	H	94	Very high	96.1	Very high	56 Å²	56	48.2 Å²	48.2	26%	0.259	25%	0.253	S	S	.	.			trans	-69.7	-47.7	-176	-87.9	-64.4	0	0	0	113.4	I884 D886	H871-I884 HydrophobicContact CB-CB 4.31Å; H871-I884 PolarHBondContact N-O 3.03Å; H871-D886 VanDerWaalsContact CE1-CG 3.46Å; H871-D886 IonicContact CE1-OD1 3.6Å; H871-D886 IonicContact CE1-OD2 2.81Å; H871-D886 WeakPolarHBondContact NE2-CB 3.45Å; H871-D886 IonicContact NE2-OD1 4Å; H871-D886 IonicContact NE2-OD2 3.69Å
872	Y	95	Very high	96.2	Very high	32 Å²	32	48.1 Å²	48.1	13%	0.125	25%	0.252	C	S	.	.			trans	-135.7	134	-168.9	-52.7	-68.9	0	0	0	111.8	S682 T683 F713 I884 V918	S682-Y872 WeakPolarHBondContact O-CE1 3.33Å; T683-Y872 VanDerWaalsContact C-CD1 3.47Å; F713-Y872 HydrophobicContact CB-CD2 3.52Å; F713-Y872 HydrophobicContact CB-CE2 4.01Å; F713-Y872 HydrophobicContact CB-CG 3.92Å; F713-Y872 AromaticContact CD1-CD2 3.66Å; F713-Y872 HydrophobicContact CD1-CD2 3.66Å; F713-Y872 AromaticContact CD1-CE2 3.2Å; F713-Y872 HydrophobicContact CD1-CE2 3.2Å; F713-Y872 AromaticContact CD1-CZ 3.87Å; F713-Y872 HydrophobicContact CD2-CD2 4.42Å; F713-Y872 HydrophobicContact CD2-CE2 4.21Å; F713-Y872 HydrophobicContact CE1-CD2 4.46Å; F713-Y872 AromaticContact CE1-CE2 3.59Å; F713-Y872 HydrophobicContact CE1-CE2 3.59Å; F713-Y872 AromaticContact CE1-CZ 3.87Å; F713-Y872 HydrophobicContact CE2-CE2 4.49Å; F713-Y872 AromaticContact CG-CD2 3.64Å; F713-Y872 HydrophobicContact CG-CD2 3.64Å; F713-Y872 AromaticContact CG-CE2 3.56Å; F713-Y872 HydrophobicContact CG-CE2 3.56Å; F713-Y872 HydrophobicContact CG-CG 4.21Å; F713-Y872 HydrophobicContact CZ-CE2 4.21Å; Y872-I884 HydrophobicContact CD2-CD1 4.1Å; Y872-I884 HydrophobicContact CE2-CD1 4.19Å; Y872-V918 HydrophobicContact CE2-CG2 3.76Å
873	V	95.4	Very high	96.2	Very high	49 Å²	49	44 Å²	44	30%	0.297	24%	0.235	S	C	.	.			trans	-149	157.9	171.6	-69.6	0	0	0	0	108.7	L861 I870 M878	L861-V873 HydrophobicContact CD1-CG1 3.99Å; I870-V873 HydrophobicContact CG2-CG1 4.04Å; V873-M878 CarbonylContact C-O 3.55Å; V873-M878 WeakPolarHBondContact CA-O 3.32Å
874	N	93.3	Very high	96.2	Very high	36 Å²	36	41.6 Å²	41.6	19%	0.193	23%	0.226	C	C	.	.			trans	-73.2	-179.8	171.4	75.1	8.5	0	0	0	111.6	K95 V96 A876 G877 M878	K95-N874 PolarHBondContact O-ND2 2.93Å; V96-N874 PolarHBondContact O-ND2 3.26Å; N874-A876 PolarHBondContact O-N 2.93Å; N874-A876 WeakPolarHBondContact OD1-CA 3.45Å; N874-A876 WeakPolarHBondContact OD1-CB 3.22Å; N874-A876 PolarHBondContact OD1-N 2.71Å; N874-G877 WeakPolarHBondContact O-CA 3.41Å; N874-G877 PolarHBondContact O-N 2.99Å; N874-G877 PolarHBondContact OD1-N 3.43Å; N874-M878 PolarHBondContact N-O 3.22Å; N874-M878 PolarHBondContact OD1-N 3.41Å; N874-M878 PolarHBondContact OD1-O 2.86Å
875	S	91	Very high	96.1	Very high	136 Å²	136	41.6 Å²	41.6	95%	0.951	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.6	180	54.8	0	0	0	0	114.6	G877	S875-G877 VanDerWaalsContact C-N 3.29Å
876	A	92.7	Very high	96.1	Very high	47 Å²	47	37.8 Å²	37.8	39%	0.388	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	3	173.5	0	0	0	0	0	112.9	K95 N874 M878	K95-A876 HydrophobicContact CB-CB 4.11Å; N874-A876 PolarHBondContact O-N 2.93Å; N874-A876 WeakPolarHBondContact OD1-CA 3.45Å; N874-A876 WeakPolarHBondContact OD1-CB 3.22Å; N874-A876 PolarHBondContact OD1-N 2.71Å; A876-M878 HydrophobicContact CB-CG 4.29Å
877	G	94.4	Very high	96.1	Very high	17 Å²	17	30.8 Å²	30.8	18%	0.175	18%	0.176	C	C	.	.	S	Bend	trans	70.7	32	-176.6	0	0	0	0	0	113.1	R865 N874 S875	R865-G877 PolarHBondContact NH2-O 3.25Å; N874-G877 WeakPolarHBondContact O-CA 3.41Å; N874-G877 PolarHBondContact O-N 2.99Å; N874-G877 PolarHBondContact OD1-N 3.43Å; S875-G877 VanDerWaalsContact C-N 3.29Å
878	M	96.2	Very high	96	Very high	26 Å²	26	28.6 Å²	28.6	13%	0.128	18%	0.175	C	C	.	.			trans	-114.8	154.1	179.2	-57.6	-63.4	164.9	0	0	111.7	F86 F92 V96 N858 V873 N874 A876	F86-M878 HydrophobicContact CE2-CE 3.5Å; F86-M878 VanDerWaalsContact CE2-CE 3.5Å; F86-M878 HydrophobicContact CZ-CE 3.74Å; F92-M878 HydrophobicContact CE2-SD 4.14Å; V96-M878 HydrophobicContact CG2-CB 4Å; V96-M878 HydrophobicContact CG2-CG 4.26Å; N858-M878 VanDerWaalsContact OD1-CA 3.27Å; N858-M878 WeakPolarHBondContact OD1-CA 3.47Å; N858-M878 WeakPolarHBondContact OD1-CB 3.39Å; N858-M878 PolarHBondContact OD1-SD 2.98Å; V873-M878 CarbonylContact C-O 3.55Å; V873-M878 WeakPolarHBondContact CA-O 3.32Å; N874-M878 PolarHBondContact N-O 3.22Å; N874-M878 PolarHBondContact OD1-N 3.41Å; N874-M878 PolarHBondContact OD1-O 2.86Å; A876-M878 HydrophobicContact CB-CG 4.29Å
879	C	97.6	Very high	95.8	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	19%	0.19	C	C	.	.			trans	-105.7	176.1	167.2	68.1	0	0	0	0	111.1	V96 G714 N858 L861 E882 F883	V96-C879 WeakPolarHBondContact CG1-O 3.49Å; G714-C879 CarbonylContact O-C 3.59Å; G714-C879 WeakPolarHBondContact O-CA 3.4Å; N858-C879 PolarHBondContact ND2-O 3.3Å; N858-C879 PolarHBondContact OD1-N 3.38Å; L861-C879 HydrophobicContact CD1-CB 3.63Å; L861-C879 VanDerWaalsContact CD1-SG 3.51Å; C879-E882 WeakPolarHBondContact CB-O 3.38Å; C879-F883 HydrophobicContact CB-CB 3.92Å
880	A	98	Very high	95.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-83.9	-131.6	171.4	0	0	0	0	0	110.4	P710 G714 F716 L854 A857 E882	P710-A880 HydrophobicContact CB-CB 3.79Å; P710-A880 HydrophobicContact CG-CB 3.74Å; G714-A880 WeakPolarHBondContact O-CB 3.41Å; G714-A880 PolarHBondContact O-N 2.85Å; F716-A880 HydrophobicContact CD2-CB 3.8Å; F716-A880 HydrophobicContact CE2-CB 3.52Å; F716-A880 HydrophobicContact CZ-CB 4.33Å; L854-A880 HydrophobicContact CD2-CB 4.15Å; A857-A880 WeakPolarHBondContact CB-O 3.45Å; A880-E882 VanDerWaalsContact C-N 3.29Å
881	H	98.5	Very high	95.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	18%	0.179	C	C	.	.	S	Bend	trans	-80.7	-5.9	177.8	66.2	-33.8	0	0	0	114.4	N740 A743 A853 L854 A857 E925	N740-H881 VanDerWaalsContact CG-CE1 3.41Å; A743-H881 HydrophobicContact CB-CB 4Å; A853-H881 HydrophobicContact CB-CB 4.49Å; L854-H881 HydrophobicContact CD2-CB 4.33Å; A857-H881 VanDerWaalsContact CB-C 3.46Å; A857-H881 WeakPolarHBondContact CB-O 3.36Å; H881-E925 IonicContact CD2-OE1 3.8Å; H881-E925 PolarHBondContact CD2-OE1 2.89Å; H881-E925 VanDerWaalsContact CD2-OE1 3.26Å; H881-E925 IonicContact NE2-OE1 2.87Å
882	E	98.6	Very high	95.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.205	C	C	.	.			trans	-147.6	159.4	-176.8	67.4	-171.7	165.4	0	0	110	G566 S567 G714 N740 C879 A880 M923 I924 E925	G566-E882 WeakPolarHBondContact CA-OE2 3.35Å; S567-E882 PolarHBondContact N-OE2 3.19Å; G714-E882 WeakPolarHBondContact CA-O 3.31Å; N740-E882 PolarHBondContact ND2-OE1 3.13Å; C879-E882 WeakPolarHBondContact CB-O 3.38Å; A880-E882 VanDerWaalsContact C-N 3.29Å; E882-M923 HydrophobicContact CG-SD 4.43Å; E882-M923 WeakPolarHBondContact OE2-CE 3.48Å; E882-I924 WeakPolarHBondContact CA-O 3.16Å; E882-I924 WeakPolarHBondContact CB-O 3.34Å; E882-E925 HydrophobicContact CB-CB 3.85Å; E882-E925 HydrophobicContact CB-CG 4.26Å
883	F	98.5	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	161.3	176.4	65.2	-80.6	0	0	0	111.6	A857 M860 L861 L864 I870 C879 I885 M923 I924	A857-F883 HydrophobicContact CB-CD1 4.38Å; A857-F883 WeakPolarHBondContact O-CE1 3.4Å; M860-F883 HydrophobicContact CB-CE1 3.84Å; M860-F883 HydrophobicContact CB-CZ 3.88Å; L861-F883 HydrophobicContact CB-CD1 4.1Å; L861-F883 HydrophobicContact CB-CD2 4.1Å; L861-F883 HydrophobicContact CB-CE1 4.25Å; L861-F883 HydrophobicContact CB-CE2 4.23Å; L861-F883 HydrophobicContact CB-CG 4.04Å; L861-F883 HydrophobicContact CB-CZ 4.31Å; L861-F883 HydrophobicContact CD1-CB 3.83Å; L861-F883 HydrophobicContact CD1-CD2 4.37Å; L861-F883 HydrophobicContact CD1-CG 4.06Å; L861-F883 HydrophobicContact CG-CB 4.39Å; L861-F883 HydrophobicContact CG-CD2 4.01Å; L861-F883 HydrophobicContact CG-CE2 4.48Å; L861-F883 HydrophobicContact CG-CG 4.11Å; L864-F883 HydrophobicContact CD1-CE2 4.1Å; L864-F883 HydrophobicContact CD1-CZ 3.97Å; I870-F883 HydrophobicContact CD1-CD2 4.26Å; I870-F883 HydrophobicContact CD1-CE2 4.45Å; C879-F883 HydrophobicContact CB-CB 3.92Å; F883-I885 HydrophobicContact CD2-CG2 4.13Å; F883-I885 HydrophobicContact CE2-CG2 3.8Å; F883-M923 WeakPolarHBondContact O-CA 3.38Å; F883-I924 HydrophobicContact CD1-CB 4.37Å; F883-I924 HydrophobicContact CE1-CB 3.9Å; F883-I924 HydrophobicContact CE1-CG2 3.94Å; F883-I924 HydrophobicContact CE2-CB 4.38Å; F883-I924 HydrophobicContact CE2-CD1 3.94Å; F883-I924 HydrophobicContact CZ-CB 3.9Å; F883-I924 HydrophobicContact CZ-CD1 3.83Å; F883-I924 HydrophobicContact CZ-CG1 4.36Å; F883-I924 HydrophobicContact CZ-CG2 4.01Å; F883-I924 PolarHBondContact N-O 3.48Å; F883-I924 VanDerWaalsContact N-O 3.09Å; F883-I924 PolarHBondContact O-N 2.86Å
884	I	98.3	Very high	94.9	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126	-175.5	-50.5	-179	0	0	0	110.6	F713 H871 Y872 P917 V918 S921 L922 M923	F713-I884 HydrophobicContact CD1-CD1 3.93Å; H871-I884 HydrophobicContact CB-CB 4.31Å; H871-I884 PolarHBondContact N-O 3.03Å; Y872-I884 HydrophobicContact CD2-CD1 4.1Å; Y872-I884 HydrophobicContact CE2-CD1 4.19Å; I884-P917 HydrophobicContact CD1-CG 3.75Å; I884-V918 HydrophobicContact CD1-CG2 4.31Å; I884-S921 WeakPolarHBondContact CG2-OG 3.35Å; I884-L922 WeakPolarHBondContact CA-O 3.31Å; I884-M923 HydrophobicContact CD1-SD 4.05Å; I884-M923 HydrophobicContact CG1-CB 4.05Å; I884-M923 HydrophobicContact CG1-CG 3.81Å; I884-M923 HydrophobicContact CG1-SD 3.96Å
885	I	97.9	Very high	95.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.1	168.7	62.6	172.6	0	0	0	110.7	Y868 N869 I870 F883 S921 L922 I924 L942	Y868-I885 HydrophobicContact CD1-CD1 4.17Å; Y868-I885 HydrophobicContact CE1-CD1 4.43Å; Y868-I885 HydrophobicContact CG-CD1 4.31Å; N869-I885 WeakPolarHBondContact O-CA 3.47Å; I870-I885 HydrophobicContact CD1-CG2 3.78Å; F883-I885 HydrophobicContact CD2-CG2 4.13Å; F883-I885 HydrophobicContact CE2-CG2 3.8Å; I885-S921 WeakPolarHBondContact O-CA 3.37Å; I885-S921 WeakPolarHBondContact O-CB 3.45Å; I885-L922 HydrophobicContact CD1-CB 4.08Å; I885-L922 HydrophobicContact CD1-CD1 4.11Å; I885-L922 HydrophobicContact CG1-CB 3.71Å; I885-L922 HydrophobicContact CG1-CG 4.5Å; I885-L922 PolarHBondContact N-O 3.2Å; I885-L922 PolarHBondContact O-N 2.91Å; I885-L922 VanDerWaalsContact O-N 3.1Å; I885-I924 HydrophobicContact CD1-CD1 4.16Å; I885-I924 HydrophobicContact CG1-CD1 4.43Å; I885-I924 HydrophobicContact CG2-CD1 4.39Å; I885-L942 HydrophobicContact CD1-CD1 4.41Å; I885-L942 HydrophobicContact CD1-CD2 4.37Å
886	D	96.3	Very high	95.3	Very high	24 Å²	24	30.8 Å²	30.8	13%	0.128	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.7	176.5	-177.9	2.3	0	0	0	110.3	N869 H871 S888	N869-D886 HydrophobicContact CB-CB 4.06Å; N869-D886 PolarHBondContact O-N 3.2Å; H871-D886 VanDerWaalsContact CE1-CG 3.46Å; H871-D886 IonicContact CE1-OD1 3.6Å; H871-D886 IonicContact CE1-OD2 2.81Å; H871-D886 WeakPolarHBondContact NE2-CB 3.45Å; H871-D886 IonicContact NE2-OD1 4Å; H871-D886 IonicContact NE2-OD2 3.69Å; D886-S888 WeakPolarHBondContact OD1-CB 3.36Å; D886-S888 PolarHBondContact OD1-N 3.13Å; D886-S888 PolarHBondContact OD1-OG 3.03Å
887	C	96.6	Very high	95.5	Very high	1 Å²	1	29 Å²	29	1%	0.007	16%	0.155	C	C	.	.			trans	-110	-1.8	176.9	-57.8	0	0	0	0	113.1	Q889 F890 V897 I900 S920	C887-Q889 PolarHBondContact O-N 3.18Å; C887-F890 HydrophobicContact CB-CD2 4.04Å; C887-F890 HydrophobicContact CB-CE2 4.34Å; C887-F890 VanDerWaalsContact O-CD2 3.3Å; C887-F890 WeakPolarHBondContact O-CD2 3.47Å; C887-F890 PolarHBondContact O-N 2.79Å; C887-V897 HydrophobicContact CB-CB 4.13Å; C887-V897 HydrophobicContact CB-CG2 4.2Å; C887-I900 HydrophobicContact CB-CD1 4.01Å; C887-S920 CarbonylContact C-O 3.58Å; C887-S920 WeakPolarHBondContact CA-O 3.46Å; C887-S920 VanDerWaalsContact CB-O 3.29Å; C887-S920 WeakPolarHBondContact CB-O 3.43Å; C887-S920 PolarHBondContact N-O 3.05Å
888	S	95	Very high	95.6	Very high	57 Å²	57	30.7 Å²	30.7	40%	0.399	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-63.6	-26.2	-174.3	76.2	0	0	0	0	113.6	D886 F890 S891 S920	D886-S888 WeakPolarHBondContact OD1-CB 3.36Å; D886-S888 PolarHBondContact OD1-N 3.13Å; D886-S888 PolarHBondContact OD1-OG 3.03Å; S888-F890 PolarHBondContact O-N 3.03Å; S888-S891 PolarHBondContact O-N 3.2Å; S888-S920 PolarHBondContact N-O 2.87Å
889	Q	93.4	Very high	95.7	Very high	68 Å²	68	29.4 Å²	29.4	32%	0.318	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-64.5	-24.6	179.9	62.1	-177.5	-24.6	0	0	112.8	N869 C887 Q893	N869-Q889 PolarHBondContact ND2-NE2 2.67Å; N869-Q889 PolarHBondContact ND2-OE1 2.77Å; N869-Q889 VanDerWaalsContact ND2-OE1 3.14Å; C887-Q889 PolarHBondContact O-N 3.18Å; Q889-Q893 PolarHBondContact O-OE1 2.87Å
890	F	94.9	Very high	95.8	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.026	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-82.7	-16.3	-176.5	-51.1	-53	0	0	0	113.3	Y868 C887 S888 K892 Q893 I895 I900 I949	Y868-F890 AromaticContact CD1-CE2 3.88Å; Y868-F890 HydrophobicContact CD1-CE2 3.88Å; Y868-F890 AromaticContact CD1-CZ 3.96Å; Y868-F890 HydrophobicContact CD1-CZ 3.96Å; Y868-F890 AromaticContact CE1-CE2 3.75Å; Y868-F890 HydrophobicContact CE1-CE2 3.75Å; Y868-F890 AromaticContact CE1-CZ 3.94Å; Y868-F890 HydrophobicContact CE1-CZ 3.94Å; C887-F890 HydrophobicContact CB-CD2 4.04Å; C887-F890 HydrophobicContact CB-CE2 4.34Å; C887-F890 VanDerWaalsContact O-CD2 3.3Å; C887-F890 WeakPolarHBondContact O-CD2 3.47Å; C887-F890 PolarHBondContact O-N 2.79Å; S888-F890 PolarHBondContact O-N 3.03Å; F890-K892 PolarHBondContact O-N 3.3Å; F890-K892 VanDerWaalsContact O-N 3.12Å; F890-Q893 PolarHBondContact O-N 3.05Å; F890-Q893 PolarHBondContact O-OE1 3.48Å; F890-I895 CarbonylContact C-O 3.56Å; F890-I895 HydrophobicContact CB-CB 4.12Å; F890-I895 HydrophobicContact CB-CG2 4.28Å; F890-I895 WeakPolarHBondContact CB-O 3.46Å; F890-I895 PolarHBondContact O-N 3.01Å; F890-I900 HydrophobicContact CD2-CD1 3.96Å; F890-I900 HydrophobicContact CE2-CD1 4.23Å; F890-I949 HydrophobicContact CB-CG2 4.48Å; F890-I949 HydrophobicContact CD1-CD1 4.27Å; F890-I949 HydrophobicContact CD1-CG2 3.64Å; F890-I949 HydrophobicContact CD2-CD1 4Å; F890-I949 HydrophobicContact CE1-CD1 4.36Å; F890-I949 HydrophobicContact CE1-CG2 4.1Å; F890-I949 HydrophobicContact CE2-CD1 4.1Å; F890-I949 HydrophobicContact CG-CD1 4.08Å; F890-I949 HydrophobicContact CG-CG2 4.17Å; F890-I949 HydrophobicContact CZ-CD1 4.28Å
891	S	91.7	Very high	95.8	Very high	48 Å²	48	29.3 Å²	29.3	34%	0.336	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-62	-22.8	177.8	-63.4	0	0	0	0	112.1	S888 Q893 N894 I895 D896	S888-S891 PolarHBondContact O-N 3.2Å; S891-Q893 PolarHBondContact O-N 3.32Å; S891-N894 PolarHBondContact O-N 2.84Å; S891-I895 WeakPolarHBondContact CA-O 3.25Å; S891-I895 PolarHBondContact N-O 3.46Å; S891-I895 VanDerWaalsContact N-O 3.11Å; S891-D896 PolarHBondContact OG-OD1 3.06Å
892	K	88	Confident	95.8	Very high	189 Å²	189	29.7 Å²	29.7	82%	0.822	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-61.8	-22.7	171.9	-68.8	-178.2	-178.4	176.5	0	113.3	F890	F890-K892 PolarHBondContact O-N 3.3Å; F890-K892 VanDerWaalsContact O-N 3.12Å
893	Q	88.4	Confident	95.8	Very high	49 Å²	49	29.7 Å²	29.7	23%	0.229	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-104.6	19.7	176.9	-65.9	77.7	29.3	0	0	112	Q889 F890 S891 I895 T953	Q889-Q893 PolarHBondContact O-OE1 2.87Å; F890-Q893 PolarHBondContact O-N 3.05Å; F890-Q893 PolarHBondContact O-OE1 3.48Å; S891-Q893 PolarHBondContact O-N 3.32Å; Q893-I895 PolarHBondContact O-N 3.38Å; Q893-T953 HydrophobicContact CG-CG2 4.04Å
894	N	93.8	Very high	95.8	Very high	49 Å²	49	29.7 Å²	29.7	26%	0.262	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	36	-172.8	-166.6	19.3	0	0	0	112	S891 I959 E960 K965	S891-N894 PolarHBondContact O-N 2.84Å; N894-I959 HydrophobicContact CB-CD1 3.89Å; N894-I959 HydrophobicContact CB-CG1 3.86Å; N894-E960 PolarHBondContact ND2-OE1 3.01Å; N894-E960 PolarHBondContact ND2-OE2 3.28Å; N894-K965 WeakPolarHBondContact ND2-CE 3.44Å; N894-K965 WeakPolarHBondContact O-CE 3.29Å; N894-K965 PolarHBondContact O-NZ 3.07Å; N894-K965 PolarHBondContact OD1-NZ 2.89Å
895	I	96.9	Very high	95.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.			trans	-117	118	171.1	-60.7	-62.4	0	0	0	108.4	F890 S891 Q893 D899 I900 I949 V952 L964 K965	F890-I895 CarbonylContact C-O 3.56Å; F890-I895 HydrophobicContact CB-CB 4.12Å; F890-I895 HydrophobicContact CB-CG2 4.28Å; F890-I895 WeakPolarHBondContact CB-O 3.46Å; F890-I895 PolarHBondContact O-N 3.01Å; S891-I895 WeakPolarHBondContact CA-O 3.25Å; S891-I895 PolarHBondContact N-O 3.46Å; S891-I895 VanDerWaalsContact N-O 3.11Å; Q893-I895 PolarHBondContact O-N 3.38Å; I895-D899 HydrophobicContact CG2-CB 4.14Å; I895-I900 HydrophobicContact CG2-CG1 4.49Å; I895-I949 HydrophobicContact CG2-CD1 4.35Å; I895-I949 HydrophobicContact CG2-CG1 4.2Å; I895-V952 HydrophobicContact CG1-CG1 4.49Å; I895-L964 HydrophobicContact CD1-CB 3.96Å; I895-L964 HydrophobicContact CD1-CD1 4.05Å; I895-L964 HydrophobicContact CG1-CD1 4.48Å; I895-L964 HydrophobicContact CG2-CD1 4.46Å; I895-K965 HydrophobicContact CD1-CD 4.38Å; I895-K965 HydrophobicContact CD1-CG 4.3Å
896	D	95.9	Very high	95.8	Very high	62 Å²	62	29.9 Å²	29.9	33%	0.332	16%	0.155	S	C	.	.			trans	-104.5	165.3	-179.9	-65.8	-47.3	0	0	0	111.4	S891 I898 D899 I900	S891-D896 PolarHBondContact OG-OD1 3.06Å; D896-I898 HydrophobicContact CB-CG2 4.19Å; D896-I898 PolarHBondContact O-N 3.32Å; D896-I898 VanDerWaalsContact O-N 3.11Å; D896-D899 PolarHBondContact N-OD2 2.85Å; D896-D899 VanDerWaalsContact O-CB 3.3Å; D896-D899 WeakPolarHBondContact O-CB 2.94Å; D896-D899 PolarHBondContact O-N 3.13Å; D896-I900 PolarHBondContact O-N 3.47Å
897	V	97.2	Very high	95.8	Very high	11 Å²	11	29 Å²	29	7%	0.067	15%	0.15	C	C	.	.	H	α-helix	trans	-56.2	-31.8	179.7	67.6	0	0	0	0	113.1	C887 D899 I900 A901 L922	C887-V897 HydrophobicContact CB-CB 4.13Å; C887-V897 HydrophobicContact CB-CG2 4.2Å; V897-D899 VanDerWaalsContact C-N 3.31Å; V897-D899 PolarHBondContact O-N 3.43Å; V897-I900 PolarHBondContact O-N 2.86Å; V897-A901 WeakPolarHBondContact O-CB 3.35Å; V897-A901 PolarHBondContact O-N 2.91Å; V897-L922 HydrophobicContact CG2-CD2 3.53Å; V897-L922 HydrophobicContact CG2-CG 3.69Å
898	I	97.1	Very high	95.7	Very high	51 Å²	51	29.6 Å²	29.6	26%	0.262	16%	0.155	S	C	.	.	H	α-helix	trans	-65.8	-34.2	176.7	-166.1	168.1	0	0	0	111.6	D896 A901 K902	D896-I898 HydrophobicContact CB-CG2 4.19Å; D896-I898 PolarHBondContact O-N 3.32Å; D896-I898 VanDerWaalsContact O-N 3.11Å; I898-A901 PolarHBondContact O-N 3.41Å; I898-K902 HydrophobicContact CG1-CD 4.49Å; I898-K902 HydrophobicContact CG1-CG 4.22Å; I898-K902 VanDerWaalsContact O-CG 3.29Å; I898-K902 WeakPolarHBondContact O-CG 3.25Å; I898-K902 PolarHBondContact O-N 2.95Å
899	D	98.1	Very high	95.9	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.2	-44.3	176.7	-65	-53.2	0	0	0	110.7	I895 D896 V897 A901 K902 R903 L964 K965 R1014	I895-D899 HydrophobicContact CG2-CB 4.14Å; D896-D899 PolarHBondContact N-OD2 2.85Å; D896-D899 VanDerWaalsContact O-CB 3.3Å; D896-D899 WeakPolarHBondContact O-CB 2.94Å; D896-D899 PolarHBondContact O-N 3.13Å; V897-D899 VanDerWaalsContact C-N 3.31Å; V897-D899 PolarHBondContact O-N 3.43Å; D899-A901 PolarHBondContact O-N 3.36Å; D899-K902 PolarHBondContact O-N 3.02Å; D899-R903 WeakPolarHBondContact O-CB 3.46Å; D899-R903 PolarHBondContact O-N 2.84Å; D899-L964 HydrophobicContact CB-CB 4.25Å; D899-K965 WeakPolarHBondContact OD1-CD 3.47Å; D899-K965 IonicContact OD2-NZ 3.79Å; D899-K965 PolarHBondContact OD2-NZ 3.23Å; D899-R1014 IonicContact OD1-CZ 3.1Å; D899-R1014 VanDerWaalsContact OD1-CZ 3.27Å; D899-R1014 IonicContact OD1-NH1 2.76Å; D899-R1014 PolarHBondContact OD1-NH1 3.45Å; D899-R1014 IonicContact OD1-NH2 2.85Å; D899-R1014 PolarHBondContact OD1-NH2 2.8Å
900	I	98.4	Very high	96.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.5	-45.7	175.5	-61	172.8	0	0	0	110.2	C887 F890 I895 D896 V897 R903 L904 L922 L942 I945 I949	C887-I900 HydrophobicContact CB-CD1 4.01Å; F890-I900 HydrophobicContact CD2-CD1 3.96Å; F890-I900 HydrophobicContact CE2-CD1 4.23Å; I895-I900 HydrophobicContact CG2-CG1 4.49Å; D896-I900 PolarHBondContact O-N 3.47Å; V897-I900 PolarHBondContact O-N 2.86Å; I900-R903 PolarHBondContact O-N 3.13Å; I900-L904 WeakPolarHBondContact O-CG 3.26Å; I900-L904 PolarHBondContact O-N 3.01Å; I900-L922 HydrophobicContact CG2-CD1 3.74Å; I900-L942 HydrophobicContact CG2-CD2 4.29Å; I900-I945 HydrophobicContact CG1-CG2 4.24Å; I900-I945 HydrophobicContact CG2-CG2 4.12Å; I900-I949 HydrophobicContact CD1-CD1 4.02Å; I900-I949 HydrophobicContact CG1-CD1 4.21Å
901	A	98.2	Very high	96.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-43.4	-179.6	0	0	0	0	0	113.8	V897 I898 D899 R903 S911 M914	V897-A901 WeakPolarHBondContact O-CB 3.35Å; V897-A901 PolarHBondContact O-N 2.91Å; I898-A901 PolarHBondContact O-N 3.41Å; D899-A901 PolarHBondContact O-N 3.36Å; A901-R903 VanDerWaalsContact C-N 3.33Å; A901-S911 WeakPolarHBondContact CB-OG 3.43Å; A901-M914 HydrophobicContact CB-CE 4.45Å; A901-M914 HydrophobicContact CB-CG 4.1Å; A901-M914 HydrophobicContact CB-SD 3.05Å; A901-M914 WeakPolarHBondContact CB-SD 3.49Å
902	K	98.4	Very high	96.6	Very high	8 Å²	8	21.4 Å²	21.4	4%	0.035	11%	0.105	C	C	.	.	H	α-helix	trans	-67.8	-36.6	174.7	-63.8	-35.9	177.3	178.7	0	111.1	E169 I898 D899 L904 M905 A967 R1014	E169-K902 VanDerWaalsContact CD-NZ 3.3Å; E169-K902 WeakPolarHBondContact OE1-CE 3.3Å; E169-K902 IonicContact OE1-NZ 2.88Å; E169-K902 PolarHBondContact OE1-NZ 3Å; E169-K902 VanDerWaalsContact OE1-NZ 3.12Å; E169-K902 IonicContact OE2-NZ 3.04Å; E169-K902 PolarHBondContact OE2-NZ 2.87Å; I898-K902 HydrophobicContact CG1-CD 4.49Å; I898-K902 HydrophobicContact CG1-CG 4.22Å; I898-K902 VanDerWaalsContact O-CG 3.29Å; I898-K902 WeakPolarHBondContact O-CG 3.25Å; I898-K902 PolarHBondContact O-N 2.95Å; D899-K902 PolarHBondContact O-N 3.02Å; K902-L904 PolarHBondContact O-N 3.24Å; K902-M905 HydrophobicContact CD-CE 3.51Å; K902-M905 HydrophobicContact CD-SD 4.22Å; K902-M905 VanDerWaalsContact O-CB 3.24Å; K902-M905 WeakPolarHBondContact O-CB 3.45Å; K902-M905 VanDerWaalsContact O-CG 3.23Å; K902-M905 WeakPolarHBondContact O-CG 3.44Å; K902-M905 PolarHBondContact O-N 2.79Å; K902-A967 HydrophobicContact CB-CB 4Å; K902-A967 WeakPolarHBondContact CB-O 3.15Å; K902-R1014 HydrophobicContact CG-CG 4.49Å
903	R	98.5	Very high	97.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-66.1	-35.6	178.5	-170.6	61.9	174.7	145.1	7.1	112.8	D899 I900 A901 M905 D906 Y907 I945 E948 P963 L964 A967 V987 A988	D899-R903 WeakPolarHBondContact O-CB 3.46Å; D899-R903 PolarHBondContact O-N 2.84Å; I900-R903 PolarHBondContact O-N 3.13Å; A901-R903 VanDerWaalsContact C-N 3.33Å; R903-M905 PolarHBondContact O-N 2.78Å; R903-M905 VanDerWaalsContact O-N 3.12Å; R903-D906 IonicContact CZ-OD2 3.56Å; R903-D906 IonicContact NH1-OD2 2.8Å; R903-D906 PolarHBondContact NH1-OD2 3.31Å; R903-D906 WeakPolarHBondContact O-CB 3.44Å; R903-D906 PolarHBondContact O-N 2.95Å; R903-Y907 HydrophobicContact CG-CD2 4.43Å; R903-Y907 HydrophobicContact CG-CE2 4.07Å; R903-Y907 WeakPolarHBondContact O-CD2 3.43Å; R903-I945 HydrophobicContact CB-CD1 4.19Å; R903-I945 HydrophobicContact CB-CG1 4.5Å; R903-I945 HydrophobicContact CG-CD1 4.02Å; R903-I945 HydrophobicContact CG-CG1 3.89Å; R903-E948 IonicContact CZ-OE1 2.67Å; R903-E948 IonicContact CZ-OE2 3.81Å; R903-E948 IonicContact NE-OE1 3.11Å; R903-E948 PolarHBondContact NE-OE1 3.44Å; R903-E948 IonicContact NE-OE2 2.95Å; R903-E948 PolarHBondContact NE-OE2 3.02Å; R903-E948 IonicContact NH2-OE1 3.06Å; R903-E948 PolarHBondContact NH2-OE1 2.82Å; R903-E948 IonicContact NH2-OE2 3.71Å; R903-P963 WeakPolarHBondContact CD-O 3.25Å; R903-L964 HydrophobicContact CB-CD2 3.74Å; R903-L964 HydrophobicContact CG-CD2 3.75Å; R903-L964 HydrophobicContact CG-CG 4.45Å; R903-A967 HydrophobicContact CB-CB 4.01Å; R903-V987 PolarHBondContact NH2-O 3.14Å; R903-A988 PolarHBondContact NH1-O 2.87Å
904	L	98.5	Very high	97.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-55.4	-28.2	173.6	-79.1	169.3	0	0	0	113.5	I900 K902 D906 Y907 G908 F909 L938 A941 L942 I945	I900-L904 WeakPolarHBondContact O-CG 3.26Å; I900-L904 PolarHBondContact O-N 3.01Å; K902-L904 PolarHBondContact O-N 3.24Å; L904-D906 VanDerWaalsContact C-N 3.28Å; L904-D906 PolarHBondContact O-N 3.29Å; L904-Y907 CarbonylContact O-C 3.44Å; L904-Y907 WeakPolarHBondContact O-CA 3.22Å; L904-Y907 WeakPolarHBondContact O-CB 3.37Å; L904-Y907 PolarHBondContact O-N 3.09Å; L904-G908 PolarHBondContact O-N 3.01Å; L904-G908 VanDerWaalsContact O-N 3.14Å; L904-F909 CarbonylContact C-O 3.04Å; L904-F909 HydrophobicContact CB-CB 4.39Å; L904-F909 PolarHBondContact O-N 2.81Å; L904-L938 HydrophobicContact CD2-CD1 4.06Å; L904-A941 HydrophobicContact CD2-CB 4.09Å; L904-L942 HydrophobicContact CD1-CD2 4.21Å; L904-L942 HydrophobicContact CD2-CD2 4.09Å; L904-L942 HydrophobicContact CD2-CG 4.36Å; L904-L942 HydrophobicContact CG-CD2 4.49Å; L904-I945 HydrophobicContact CD2-CD1 3.76Å; L904-I945 HydrophobicContact CG-CD1 3.86Å
905	M	98.2	Very high	97.5	Very high	5 Å²	5	13.8 Å²	13.8	3%	0.025	8%	0.079	C	C	.	.	H	α-helix	trans	-62.4	-36.9	175.6	-50.8	-179.4	176.1	0	0	111.7	Q167 E169 I170 K902 R903 Y907 G908 F909 P968 P1010	Q167-M905 HydrophobicContact CB-CE 3.72Å; Q167-M905 HydrophobicContact CG-CE 4.11Å; E169-M905 HydrophobicContact CB-CE 4.39Å; E169-M905 HydrophobicContact CB-SD 3.86Å; I170-M905 HydrophobicContact CD1-CE 4.15Å; I170-M905 HydrophobicContact CD1-CG 4.1Å; I170-M905 HydrophobicContact CD1-SD 4.4Å; I170-M905 HydrophobicContact CG1-CE 4.31Å; I170-M905 HydrophobicContact CG2-CB 4.23Å; I170-M905 HydrophobicContact CG2-CG 4.17Å; I170-M905 HydrophobicContact CG2-SD 3.94Å; K902-M905 HydrophobicContact CD-CE 3.51Å; K902-M905 HydrophobicContact CD-SD 4.22Å; K902-M905 VanDerWaalsContact O-CB 3.24Å; K902-M905 WeakPolarHBondContact O-CB 3.45Å; K902-M905 VanDerWaalsContact O-CG 3.23Å; K902-M905 WeakPolarHBondContact O-CG 3.44Å; K902-M905 PolarHBondContact O-N 2.79Å; R903-M905 PolarHBondContact O-N 2.78Å; R903-M905 VanDerWaalsContact O-N 3.12Å; M905-Y907 PolarHBondContact O-N 2.85Å; M905-G908 PolarHBondContact O-N 2.7Å; M905-F909 WeakPolarHBondContact CA-O 3.33Å; M905-F909 PolarHBondContact N-O 2.81Å; M905-P968 HydrophobicContact CB-CB 4.1Å; M905-P968 HydrophobicContact SD-CB 3.8Å; M905-P968 HydrophobicContact SD-CG 3.83Å; M905-P1010 HydrophobicContact CB-CG 3.98Å
906	D	97.8	Very high	97.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.1	-26.3	176.6	-62.8	-34.4	0	0	0	111.9	R903 L904 G908 H969 A988 P991 Q995 K1007	R903-D906 IonicContact CZ-OD2 3.56Å; R903-D906 IonicContact NH1-OD2 2.8Å; R903-D906 PolarHBondContact NH1-OD2 3.31Å; R903-D906 WeakPolarHBondContact O-CB 3.44Å; R903-D906 PolarHBondContact O-N 2.95Å; L904-D906 VanDerWaalsContact C-N 3.28Å; L904-D906 PolarHBondContact O-N 3.29Å; D906-G908 VanDerWaalsContact C-N 3.3Å; D906-H969 PolarHBondContact OD1-N 2.96Å; D906-H969 IonicContact OD1-ND1 3.08Å; D906-H969 IonicContact OD2-CE1 4Å; D906-H969 IonicContact OD2-CG 2.63Å; D906-H969 IonicContact OD2-ND1 2.62Å; D906-H969 PolarHBondContact OD2-ND1 3.37Å; D906-A988 WeakPolarHBondContact CB-O 3.38Å; D906-P991 HydrophobicContact CB-CG 4.45Å; D906-Q995 PolarHBondContact O-NE2 2.81Å; D906-K1007 PolarHBondContact O-NZ 3.24Å
907	Y	96.7	Very high	97.1	Very high	6 Å²	6	14 Å²	14	2%	0.024	8%	0.079	C	C	.	.	H	α-helix	trans	-81.4	-7.3	172.2	-73.9	-100.7	0	0	0	113.2	R903 L904 M905 A941 L944 I945 E948 P991 A992 W994 Q995	R903-Y907 HydrophobicContact CG-CD2 4.43Å; R903-Y907 HydrophobicContact CG-CE2 4.07Å; R903-Y907 WeakPolarHBondContact O-CD2 3.43Å; L904-Y907 CarbonylContact O-C 3.44Å; L904-Y907 WeakPolarHBondContact O-CA 3.22Å; L904-Y907 WeakPolarHBondContact O-CB 3.37Å; L904-Y907 PolarHBondContact O-N 3.09Å; M905-Y907 PolarHBondContact O-N 2.85Å; Y907-A941 HydrophobicContact CD1-CB 3.59Å; Y907-A941 HydrophobicContact CE1-CB 4.37Å; Y907-A941 HydrophobicContact CG-CB 3.86Å; Y907-L944 HydrophobicContact CE1-CB 3.78Å; Y907-L944 HydrophobicContact CE1-CD1 3.78Å; Y907-L944 HydrophobicContact CE1-CG 4.44Å; Y907-L944 WeakPolarHBondContact OH-CB 3.38Å; Y907-I945 HydrophobicContact CD2-CD1 4.11Å; Y907-I945 HydrophobicContact CD2-CG1 4.23Å; Y907-I945 HydrophobicContact CE2-CD1 4.08Å; Y907-I945 HydrophobicContact CE2-CG1 3.68Å; Y907-E948 PolarHBondContact OH-OE1 3.33Å; Y907-P991 HydrophobicContact CD1-CB 4.44Å; Y907-P991 HydrophobicContact CD1-CG 3.91Å; Y907-P991 HydrophobicContact CD2-CB 4.41Å; Y907-P991 HydrophobicContact CD2-CG 3.61Å; Y907-P991 HydrophobicContact CE1-CB 3.79Å; Y907-P991 HydrophobicContact CE1-CG 3.75Å; Y907-P991 HydrophobicContact CE2-CB 3.76Å; Y907-P991 HydrophobicContact CE2-CG 3.45Å; Y907-P991 VanDerWaalsContact CE2-CG 3.45Å; Y907-P991 HydrophobicContact CG-CG 3.84Å; Y907-P991 VanDerWaalsContact CZ-CB 3.43Å; Y907-P991 WeakPolarHBondContact OH-CB 3.24Å; Y907-A992 HydrophobicContact CD1-CB 3.89Å; Y907-A992 HydrophobicContact CE1-CB 4.29Å; Y907-W994 HydrophobicContact CD1-CH2 4.38Å; Y907-W994 HydrophobicContact CD1-CZ2 4.34Å; Y907-Q995 PolarHBondContact O-NE2 2.77Å
908	G	95.3	Very high	96.9	Very high	12 Å²	12	14.7 Å²	14.7	12%	0.124	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	20.3	177.8	0	0	0	0	0	114.7	S561 L904 M905 D906	S561-G908 PolarHBondContact OG-O 3.07Å; L904-G908 PolarHBondContact O-N 3.01Å; L904-G908 VanDerWaalsContact O-N 3.14Å; M905-G908 PolarHBondContact O-N 2.7Å; D906-G908 VanDerWaalsContact C-N 3.3Å
909	F	97.9	Very high	96.7	Very high	3 Å²	3	17.4 Å²	17.4	1%	0.013	10%	0.103	C	C	.	.			trans	-118	144.6	-178.7	-72.4	-72.3	0	0	0	112.6	M562 L904 M905 E934 R937 L938 A941 W994	M562-F909 HydrophobicContact CB-CE1 4.44Å; L904-F909 CarbonylContact C-O 3.04Å; L904-F909 HydrophobicContact CB-CB 4.39Å; L904-F909 PolarHBondContact O-N 2.81Å; M905-F909 WeakPolarHBondContact CA-O 3.33Å; M905-F909 PolarHBondContact N-O 2.81Å; F909-E934 WeakPolarHBondContact CZ-OE2 3.22Å; F909-R937 HydrophobicContact CE2-CB 4.11Å; F909-R937 HydrophobicContact CZ-CB 3.68Å; F909-L938 HydrophobicContact CB-CD1 4.46Å; F909-L938 HydrophobicContact CD1-CD1 4.37Å; F909-L938 HydrophobicContact CD2-CD1 4.2Å; F909-L938 HydrophobicContact CE1-CB 4.21Å; F909-L938 HydrophobicContact CE2-CB 4.37Å; F909-L938 HydrophobicContact CG-CD1 4.09Å; F909-L938 HydrophobicContact CZ-CB 4.07Å; F909-A941 HydrophobicContact CD2-CB 4.21Å; F909-A941 HydrophobicContact CE2-CB 4.24Å; F909-W994 HydrophobicContact CE2-CZ2 4.09Å
910	H	98.5	Very high	96.6	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.014	12%	0.116	C	C	.	.			trans	-70.3	141.6	157.6	-169	-71.7	0	0	0	108.5	Q167 I170 I556 I563	Q167-H910 WeakPolarHBondContact CG-CE1 3.29Å; I170-H910 HydrophobicContact CD1-CB 4.15Å; I556-H910 HydrophobicContact CG2-CB 3.96Å; I563-H910 HydrophobicContact CB-CB 4.28Å; I563-H910 HydrophobicContact CD1-CB 4.48Å; I563-H910 HydrophobicContact CG1-CB 3.87Å; I563-H910 HydrophobicContact CG2-CB 3.92Å
911	S	98.1	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.116	C	C	.	.			trans	-64.7	147.3	176.7	-175	0	0	0	0	111.5	A901	A901-S911 WeakPolarHBondContact CB-OG 3.43Å
912	P	98.4	Very high	96.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	12%	0.116	C	C	.	.			trans	-57.7	178.1	163.3	-16.7	26.9	0	0	0	112.6	P564 M914 L922 M923 I924	P564-P912 HydrophobicContact CG-CB 4.19Å; P564-P912 HydrophobicContact CG-CG 3.78Å; P912-M914 PolarHBondContact O-N 2.94Å; P912-L922 HydrophobicContact CB-CB 4.29Å; P912-L922 HydrophobicContact CG-CB 4.4Å; P912-M923 WeakPolarHBondContact CB-O 3.46Å; P912-I924 HydrophobicContact CB-CG1 3.88Å; P912-I924 HydrophobicContact CG-CD1 4.36Å; P912-I924 HydrophobicContact CG-CG1 3.76Å
913	T	98	Very high	96.6	Very high	19 Å²	19	18.9 Å²	18.9	12%	0.117	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	124.2	178.2	-68.6	0	0	0	0	109.4	G566 W916 L922 M923	G566-T913 PolarHBondContact N-OG1 2.89Å; G566-T913 PolarHBondContact O-OG1 2.83Å; T913-W916 HydrophobicContact CG2-CB 4.46Å; T913-W916 HydrophobicContact CG2-CE3 4.08Å; T913-L922 CarbonylContact O-C 3.47Å; T913-L922 WeakPolarHBondContact O-CA 3.23Å; T913-M923 HydrophobicContact CG2-CE 4.44Å; T913-M923 PolarHBondContact N-O 3.15Å; T913-M923 PolarHBondContact O-N 2.96Å
914	M	96	Very high	96.6	Very high	55 Å²	55	18.9 Å²	18.9	27%	0.271	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	138.4	-173.9	-62.3	-157.2	-56.2	0	0	112.6	Q167 A901 P912 W916 L922	Q167-M914 PolarHBondContact NE2-SD 3.42Å; A901-M914 HydrophobicContact CB-CE 4.45Å; A901-M914 HydrophobicContact CB-CG 4.1Å; A901-M914 HydrophobicContact CB-SD 3.05Å; A901-M914 WeakPolarHBondContact CB-SD 3.49Å; P912-M914 PolarHBondContact O-N 2.94Å; M914-W916 PolarHBondContact O-N 3.14Å; M914-L922 HydrophobicContact CB-CD2 4.31Å; M914-L922 HydrophobicContact CG-CD2 3.68Å; M914-L922 HydrophobicContact SD-CD2 4.5Å
915	S	94.6	Very high	96.6	Very high	54 Å²	54	19 Å²	19	38%	0.378	11%	0.114	S	C	.	.	S	Bend	trans	55.1	23.1	168.2	-69	0	0	0	0	115.2	V918 S920 S921	S915-V918 CarbonylContact C-O 3.55Å; S915-V918 VanDerWaalsContact CA-O 3.25Å; S915-V918 WeakPolarHBondContact CA-O 3Å; S915-S920 PolarHBondContact OG-N 2.79Å; S915-S921 PolarHBondContact N-O 2.92Å
916	W	93.8	Very high	96.6	Very high	37 Å²	37	18.8 Å²	18.8	14%	0.14	11%	0.114	C	C	.	.	S	Bend	trans	-148.2	137.5	173.9	-176.9	85.3	0	0	0	109.7	H661 T712 T913 M914 V918 M923	H661-W916 HydrophobicContact CB-CH2 4.1Å; H661-W916 HydrophobicContact CB-CZ2 3.83Å; H661-W916 AromaticContact CD2-CH2 3.6Å; H661-W916 AromaticContact CD2-CZ2 3.63Å; T712-W916 HydrophobicContact CG2-CH2 3.61Å; T712-W916 HydrophobicContact CG2-CZ2 3.9Å; T913-W916 HydrophobicContact CG2-CB 4.46Å; T913-W916 HydrophobicContact CG2-CE3 4.08Å; M914-W916 PolarHBondContact O-N 3.14Å; W916-V918 VanDerWaalsContact C-N 3.33Å; W916-V918 PolarHBondContact N-O 3.22Å; W916-M923 HydrophobicContact CE3-CE 3.86Å; W916-M923 HydrophobicContact CZ3-CE 3.54Å
917	P	92.1	Very high	96.7	Very high	29 Å²	29	18.9 Å²	18.9	19%	0.188	11%	0.114	C	C	.	.	S	Bend	cis	-75.5	-9.8	-1.8	33.4	-39.7	0	0	0	114.7	T712 F713 I884 M923	T712-P917 WeakPolarHBondContact O-CG 3.27Å; F713-P917 HydrophobicContact CD1-CB 4.28Å; F713-P917 HydrophobicContact CD1-CG 3.46Å; F713-P917 VanDerWaalsContact CD1-CG 3.46Å; F713-P917 HydrophobicContact CE1-CB 3.97Å; F713-P917 HydrophobicContact CE1-CG 3.62Å; I884-P917 HydrophobicContact CD1-CG 3.75Å; P917-M923 VanDerWaalsContact CD-SD 3.56Å; P917-M923 HydrophobicContact CG-SD 4.49Å
918	V	92.7	Very high	96.8	Very high	25 Å²	25	18.6 Å²	18.6	15%	0.152	11%	0.113	C	C	.	.	S	Bend	trans	-107.2	132.1	177.4	-175.9	0	0	0	0	110.2	F713 Y872 I884 S915 W916 S921	F713-V918 HydrophobicContact CD1-CG2 4.22Å; F713-V918 HydrophobicContact CE1-CG2 3.73Å; Y872-V918 HydrophobicContact CE2-CG2 3.76Å; I884-V918 HydrophobicContact CD1-CG2 4.31Å; S915-V918 CarbonylContact C-O 3.55Å; S915-V918 VanDerWaalsContact CA-O 3.25Å; S915-V918 WeakPolarHBondContact CA-O 3Å; W916-V918 VanDerWaalsContact C-N 3.33Å; W916-V918 PolarHBondContact N-O 3.22Å; V918-S921 PolarHBondContact O-OG 2.87Å
919	T	93.1	Very high	96.9	Very high	109 Å²	109	19 Å²	19	67%	0.669	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	147	175.6	52.8	0	0	0	0	111.5	S921	T919-S921 VanDerWaalsContact C-N 3.28Å; T919-S921 PolarHBondContact O-N 3.01Å
920	S	95.6	Very high	97	Very high	39 Å²	39	20.2 Å²	20.2	27%	0.273	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	35	178.7	-54.1	0	0	0	0	113.9	C887 S888 S915	C887-S920 CarbonylContact C-O 3.58Å; C887-S920 WeakPolarHBondContact CA-O 3.46Å; C887-S920 VanDerWaalsContact CB-O 3.29Å; C887-S920 WeakPolarHBondContact CB-O 3.43Å; C887-S920 PolarHBondContact N-O 3.05Å; S888-S920 PolarHBondContact N-O 2.87Å; S915-S920 PolarHBondContact OG-N 2.79Å
921	S	97.4	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	162.7	-179.6	78.4	0	0	0	0	112.1	I884 I885 S915 V918 T919	I884-S921 WeakPolarHBondContact CG2-OG 3.35Å; I885-S921 WeakPolarHBondContact O-CA 3.37Å; I885-S921 WeakPolarHBondContact O-CB 3.45Å; S915-S921 PolarHBondContact N-O 2.92Å; V918-S921 PolarHBondContact O-OG 2.87Å; T919-S921 VanDerWaalsContact C-N 3.28Å; T919-S921 PolarHBondContact O-N 3.01Å
922	L	98.3	Very high	97	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.2	170	-62.1	176.1	0	0	0	109.6	I884 I885 V897 I900 P912 T913 M914	I884-L922 WeakPolarHBondContact CA-O 3.31Å; I885-L922 HydrophobicContact CD1-CB 4.08Å; I885-L922 HydrophobicContact CD1-CD1 4.11Å; I885-L922 HydrophobicContact CG1-CB 3.71Å; I885-L922 HydrophobicContact CG1-CG 4.5Å; I885-L922 PolarHBondContact N-O 3.2Å; I885-L922 PolarHBondContact O-N 2.91Å; I885-L922 VanDerWaalsContact O-N 3.1Å; V897-L922 HydrophobicContact CG2-CD2 3.53Å; V897-L922 HydrophobicContact CG2-CG 3.69Å; I900-L922 HydrophobicContact CG2-CD1 3.74Å; P912-L922 HydrophobicContact CB-CB 4.29Å; P912-L922 HydrophobicContact CG-CB 4.4Å; T913-L922 CarbonylContact O-C 3.47Å; T913-L922 WeakPolarHBondContact O-CA 3.23Å; M914-L922 HydrophobicContact CB-CD2 4.31Å; M914-L922 HydrophobicContact CG-CD2 3.68Å; M914-L922 HydrophobicContact SD-CD2 4.5Å
923	M	98.5	Very high	96.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.8	174.5	-171.9	165.8	75.6	0	0	110.9	G566 E882 F883 I884 P912 T913 W916 P917	G566-M923 VanDerWaalsContact C-CE 3.49Å; G566-M923 PolarHBondContact N-O 3.05Å; G566-M923 VanDerWaalsContact N-O 3.13Å; E882-M923 HydrophobicContact CG-SD 4.43Å; E882-M923 WeakPolarHBondContact OE2-CE 3.48Å; F883-M923 WeakPolarHBondContact O-CA 3.38Å; I884-M923 HydrophobicContact CD1-SD 4.05Å; I884-M923 HydrophobicContact CG1-CB 4.05Å; I884-M923 HydrophobicContact CG1-CG 3.81Å; I884-M923 HydrophobicContact CG1-SD 3.96Å; P912-M923 WeakPolarHBondContact CB-O 3.46Å; T913-M923 HydrophobicContact CG2-CE 4.44Å; T913-M923 PolarHBondContact N-O 3.15Å; T913-M923 PolarHBondContact O-N 2.96Å; W916-M923 HydrophobicContact CE3-CE 3.86Å; W916-M923 HydrophobicContact CZ3-CE 3.54Å; P917-M923 VanDerWaalsContact CD-SD 3.56Å; P917-M923 HydrophobicContact CG-SD 4.49Å
924	I	98.8	Very high	96.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120	-168	-54.8	-178.6	0	0	0	109.5	P564 M860 L864 E882 F883 I885 P912 L938 L942	P564-I924 HydrophobicContact CB-CG2 4.11Å; M860-I924 HydrophobicContact CE-CG2 3.79Å; M860-I924 HydrophobicContact SD-CG2 4.48Å; L864-I924 HydrophobicContact CD1-CD1 4.19Å; E882-I924 WeakPolarHBondContact CA-O 3.16Å; E882-I924 WeakPolarHBondContact CB-O 3.34Å; F883-I924 HydrophobicContact CD1-CB 4.37Å; F883-I924 HydrophobicContact CE1-CB 3.9Å; F883-I924 HydrophobicContact CE1-CG2 3.94Å; F883-I924 HydrophobicContact CE2-CB 4.38Å; F883-I924 HydrophobicContact CE2-CD1 3.94Å; F883-I924 HydrophobicContact CZ-CB 3.9Å; F883-I924 HydrophobicContact CZ-CD1 3.83Å; F883-I924 HydrophobicContact CZ-CG1 4.36Å; F883-I924 HydrophobicContact CZ-CG2 4.01Å; F883-I924 PolarHBondContact N-O 3.48Å; F883-I924 VanDerWaalsContact N-O 3.09Å; F883-I924 PolarHBondContact O-N 2.86Å; I885-I924 HydrophobicContact CD1-CD1 4.16Å; I885-I924 HydrophobicContact CG1-CD1 4.43Å; I885-I924 HydrophobicContact CG2-CD1 4.39Å; P912-I924 HydrophobicContact CB-CG1 3.88Å; P912-I924 HydrophobicContact CG-CD1 4.36Å; P912-I924 HydrophobicContact CG-CG1 3.76Å; I924-L938 HydrophobicContact CG2-CD2 4.39Å; I924-L942 HydrophobicContact CD1-CD1 3.83Å
925	E	98.8	Very high	97	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	14%	0.14	C	C	.	.			trans	-126.5	103.9	172.9	-177.8	-172.5	176.8	0	0	109.4	P564 S567 C568 T569 H881 E882 T927	P564-E925 CarbonylContact C-O 3.24Å; P564-E925 WeakPolarHBondContact CA-O 3.28Å; P564-E925 PolarHBondContact O-N 3.47Å; S567-E925 PolarHBondContact N-OE2 2.85Å; S567-E925 VanDerWaalsContact N-OE2 3.07Å; C568-E925 PolarHBondContact N-OE2 2.96Å; T569-E925 WeakPolarHBondContact CA-OE1 3.34Å; T569-E925 WeakPolarHBondContact CB-OE1 3.25Å; T569-E925 VanDerWaalsContact N-CD 3.33Å; T569-E925 PolarHBondContact N-OE1 3.23Å; T569-E925 PolarHBondContact N-OE2 2.94Å; T569-E925 PolarHBondContact OG1-OE1 2.97Å; H881-E925 IonicContact CD2-OE1 3.8Å; H881-E925 PolarHBondContact CD2-OE1 2.89Å; H881-E925 VanDerWaalsContact CD2-OE1 3.26Å; H881-E925 IonicContact NE2-OE1 2.87Å; E882-E925 HydrophobicContact CB-CB 3.85Å; E882-E925 HydrophobicContact CB-CG 4.26Å; E925-T927 HydrophobicContact CG-CG2 4.43Å
926	P	98.6	Very high	97.1	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.013	13%	0.131	C	C	.	.			trans	-80.5	-20.6	-176.9	29.2	-34.1	0	0	0	114.6	M562 N856 A857 M860 E930	M562-P926 HydrophobicContact SD-CB 3.75Å; N856-P926 HydrophobicContact CB-CB 4.27Å; N856-P926 HydrophobicContact CB-CG 3.73Å; A857-P926 HydrophobicContact CB-CG 4.26Å; M860-P926 HydrophobicContact SD-CB 3.61Å; M860-P926 HydrophobicContact SD-CG 3.78Å; P926-E930 WeakPolarHBondContact O-CG 3.19Å
927	T	98.6	Very high	97.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	14%	0.136	C	C	.	.			trans	62.1	173.7	-169.5	83.3	0	0	0	0	114.4	T569 K571 N856 E925 S929	T569-T927 HydrophobicContact CG2-CG2 3.96Å; K571-T927 HydrophobicContact CB-CG2 4.28Å; N856-T927 PolarHBondContact ND2-O 3.12Å; E925-T927 HydrophobicContact CG-CG2 4.43Å; T927-S929 PolarHBondContact OG1-N 3.42Å
928	E	98.8	Very high	97.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-77.6	-18.9	177.4	71.2	-81.7	-166.5	0	0	114.2	H69 I70 G71 P72 K571 N742 A849 T852 A853 E930	H69-E928 IonicContact CD2-OE1 3.38Å; H69-E928 IonicContact CE1-OE1 2.68Å; H69-E928 IonicContact NE2-OE1 2.91Å; H69-E928 PolarHBondContact NE2-OE1 2.67Å; I70-E928 WeakPolarHBondContact CA-O 3.41Å; I70-E928 HydrophobicContact CG1-CG 4.41Å; G71-E928 PolarHBondContact N-O 3Å; P72-E928 WeakPolarHBondContact CD-O 3.45Å; K571-E928 VanDerWaalsContact CE-OE1 3.23Å; K571-E928 WeakPolarHBondContact CE-OE1 3.21Å; K571-E928 IonicContact NZ-OE1 3.13Å; K571-E928 PolarHBondContact NZ-OE1 3.15Å; K571-E928 IonicContact NZ-OE2 2.72Å; N742-E928 PolarHBondContact ND2-OE2 3.03Å; A849-E928 HydrophobicContact CB-CB 4.48Å; A849-E928 HydrophobicContact CB-CG 3.84Å; A849-E928 VanDerWaalsContact O-CB 3.27Å; A849-E928 WeakPolarHBondContact O-CB 3.47Å; T852-E928 HydrophobicContact CG2-CB 4.31Å; A853-E928 HydrophobicContact CB-CB 4.22Å; E928-E930 VanDerWaalsContact C-N 3.32Å
929	S	98.8	Very high	97.8	Very high	21 Å²	21	20 Å²	20	15%	0.147	12%	0.12	C	C	.	.	S	Bend	trans	-81.4	-13.9	-171.9	-63.1	0	0	0	0	113.7	H69 G71 L572 T927	H69-S929 PolarHBondContact NE2-OG 3.33Å; H69-S929 WeakPolarHBondContact O-CA 3.34Å; H69-S929 WeakPolarHBondContact O-CB 3.42Å; H69-S929 PolarHBondContact O-OG 3.31Å; G71-S929 VanDerWaalsContact CA-O 3.25Å; G71-S929 WeakPolarHBondContact CA-O 3.47Å; L572-S929 WeakPolarHBondContact CB-OG 3.47Å; L572-S929 PolarHBondContact N-OG 3.34Å; T927-S929 PolarHBondContact OG1-N 3.42Å
930	E	98.6	Very high	98	Very high	29 Å²	29	17.7 Å²	17.7	14%	0.136	10%	0.101	C	C	.	.	S	Bend	trans	-89.6	127.3	-177.1	-61.2	-66.9	179.9	0	0	111.3	P72 M562 N856 P926 E928	P72-E930 VanDerWaalsContact CD-O 3.25Å; P72-E930 WeakPolarHBondContact CD-O 3.15Å; P72-E930 WeakPolarHBondContact CG-O 3.31Å; M562-E930 WeakPolarHBondContact CA-OE1 3.34Å; M562-E930 HydrophobicContact CB-CG 4Å; M562-E930 WeakPolarHBondContact CB-OE1 3.38Å; M562-E930 HydrophobicContact CG-CG 3.71Å; M562-E930 HydrophobicContact SD-CB 3.97Å; M562-E930 HydrophobicContact SD-CG 3.69Å; N856-E930 PolarHBondContact ND2-O 3.36Å; P926-E930 WeakPolarHBondContact O-CG 3.19Å; E928-E930 VanDerWaalsContact C-N 3.32Å
931	S	98.4	Very high	98.2	Very high	40 Å²	40	15.9 Å²	15.9	28%	0.28	9%	0.088	S	C	.	.			trans	-62.6	157.5	178.8	71.9	0	0	0	0	111.7	A933 E934 C935	S931-A933 PolarHBondContact O-N 2.79Å; S931-E934 PolarHBondContact O-N 3.09Å; S931-E934 PolarHBondContact OG-N 2.91Å; S931-C935 PolarHBondContact O-N 3.1Å; S931-C935 PolarHBondContact O-SG 2.85Å
932	K	98.5	Very high	98.2	Very high	18 Å²	18	15.9 Å²	15.9	8%	0.078	9%	0.088	C	C	.	.	H	α-helix	trans	-54.6	-40.8	172.1	-179.9	-178.2	-178.7	-69.3	0	112.1	D76 H79 M80 Y859 E934 C935 D936	D76-K932 HydrophobicContact CB-CB 3.8Å; D76-K932 HydrophobicContact CB-CD 3.99Å; H79-K932 VanDerWaalsContact ND1-CE 3.26Å; H79-K932 WeakPolarHBondContact ND1-CE 3.36Å; M80-K932 HydrophobicContact CG-CD 3.8Å; M80-K932 HydrophobicContact CG-CG 4.1Å; M80-K932 HydrophobicContact SD-CB 3.81Å; M80-K932 HydrophobicContact SD-CD 4.06Å; M80-K932 HydrophobicContact SD-CG 3.85Å; Y859-K932 HydrophobicContact CE1-CG 4.33Å; Y859-K932 WeakPolarHBondContact OH-CE 3.47Å; Y859-K932 PolarHBondContact OH-NZ 2.92Å; K932-E934 VanDerWaalsContact C-N 3.28Å; K932-E934 PolarHBondContact O-N 3.21Å; K932-C935 WeakPolarHBondContact O-CB 3.47Å; K932-C935 PolarHBondContact O-N 3.49Å; K932-D936 IonicContact NZ-OD1 3.98Å; K932-D936 IonicContact NZ-OD2 2.65Å; K932-D936 PolarHBondContact NZ-OD2 3.35Å; K932-D936 WeakPolarHBondContact O-CB 3.32Å; K932-D936 PolarHBondContact O-N 2.98Å
933	A	96.7	Very high	98.2	Very high	55 Å²	55	16.8 Å²	16.8	46%	0.455	9%	0.093	S	C	.	.	H	α-helix	trans	-62.7	-35.6	179.6	0	0	0	0	0	112.2	S931 D936 R937	S931-A933 PolarHBondContact O-N 2.79Å; A933-D936 PolarHBondContact O-N 2.87Å; A933-R937 WeakPolarHBondContact O-CG 3.43Å; A933-R937 PolarHBondContact O-N 3.1Å
934	E	97.2	Very high	98.2	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.028	11%	0.106	C	C	.	.	H	α-helix	trans	-74.7	-40.9	176.4	-178.8	63.8	129.8	0	0	112.1	S561 M562 F909 S931 K932 D936 R937 L938	S561-E934 VanDerWaalsContact CA-OE1 3.25Å; S561-E934 WeakPolarHBondContact CA-OE1 3.32Å; S561-E934 WeakPolarHBondContact CB-OE1 3.37Å; M562-E934 HydrophobicContact CB-CG 3.53Å; M562-E934 HydrophobicContact CE-CG 4.22Å; M562-E934 PolarHBondContact N-OE1 3.25Å; F909-E934 WeakPolarHBondContact CZ-OE2 3.22Å; S931-E934 PolarHBondContact O-N 3.09Å; S931-E934 PolarHBondContact OG-N 2.91Å; K932-E934 VanDerWaalsContact C-N 3.28Å; K932-E934 PolarHBondContact O-N 3.21Å; E934-D936 PolarHBondContact O-N 3.09Å; E934-R937 PolarHBondContact O-N 3.37Å; E934-R937 VanDerWaalsContact O-N 3.17Å; E934-R937 IonicContact OE1-NH2 3.48Å; E934-R937 PolarHBondContact OE1-NH2 3.38Å; E934-R937 VanDerWaalsContact OE1-NH2 3.08Å; E934-R937 IonicContact OE2-CZ 2.76Å; E934-R937 IonicContact OE2-NE 3.35Å; E934-R937 PolarHBondContact OE2-NE 2.84Å; E934-R937 IonicContact OE2-NH2 3.65Å; E934-R937 PolarHBondContact OE2-NH2 3.02Å; E934-L938 PolarHBondContact O-N 3.33Å; E934-L938 VanDerWaalsContact O-N 3.11Å
935	C	98.5	Very high	98.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-55.5	-42.9	169.2	-65.4	0	0	0	0	111.2	Y859 M860 S931 K932 L938 C939	Y859-C935 HydrophobicContact CD1-CB 4.46Å; Y859-C935 HydrophobicContact CE1-CB 4.46Å; M860-C935 HydrophobicContact CG-CB 3.96Å; M860-C935 HydrophobicContact SD-CB 4.07Å; S931-C935 PolarHBondContact O-N 3.1Å; S931-C935 PolarHBondContact O-SG 2.85Å; K932-C935 WeakPolarHBondContact O-CB 3.47Å; K932-C935 PolarHBondContact O-N 3.49Å; C935-L938 PolarHBondContact O-N 3.05Å; C935-C939 PolarHBondContact O-N 3.38Å; C935-C939 PolarHBondContact O-SG 3.13Å
936	D	98	Very high	98.2	Very high	33 Å²	33	21.7 Å²	21.7	18%	0.176	12%	0.115	C	C	.	.	H	α-helix	trans	-63.6	-40.5	177.6	-75.1	-28.2	0	0	0	112.7	Y859 R863 K932 A933 E934 C939 E940	Y859-D936 VanDerWaalsContact CE1-OD1 3.26Å; Y859-D936 WeakPolarHBondContact CE1-OD1 3.4Å; Y859-D936 VanDerWaalsContact CZ-OD1 3.29Å; Y859-D936 PolarHBondContact OH-OD1 3.45Å; R863-D936 IonicContact CZ-OD1 3.14Å; R863-D936 VanDerWaalsContact NH1-CG 3.26Å; R863-D936 IonicContact NH1-OD1 2.76Å; R863-D936 PolarHBondContact NH1-OD1 3.11Å; K932-D936 IonicContact NZ-OD1 3.98Å; K932-D936 IonicContact NZ-OD2 2.65Å; K932-D936 PolarHBondContact NZ-OD2 3.35Å; K932-D936 WeakPolarHBondContact O-CB 3.32Å; K932-D936 PolarHBondContact O-N 2.98Å; A933-D936 PolarHBondContact O-N 2.87Å; E934-D936 PolarHBondContact O-N 3.09Å; D936-C939 PolarHBondContact O-N 3.17Å; D936-E940 VanDerWaalsContact O-CB 3.24Å; D936-E940 WeakPolarHBondContact O-CB 3.45Å; D936-E940 PolarHBondContact O-N 3.45Å
937	R	96.4	Very high	98.1	Very high	67 Å²	67	23 Å²	23	25%	0.253	13%	0.13	S	C	.	.	H	α-helix	trans	-63.2	-43.4	176.6	-75	-167.5	-59.6	-112.8	13.7	111.7	F909 A933 E934 E940 A941 W994	F909-R937 HydrophobicContact CE2-CB 4.11Å; F909-R937 HydrophobicContact CZ-CB 3.68Å; A933-R937 WeakPolarHBondContact O-CG 3.43Å; A933-R937 PolarHBondContact O-N 3.1Å; E934-R937 PolarHBondContact O-N 3.37Å; E934-R937 VanDerWaalsContact O-N 3.17Å; E934-R937 IonicContact OE1-NH2 3.48Å; E934-R937 PolarHBondContact OE1-NH2 3.38Å; E934-R937 VanDerWaalsContact OE1-NH2 3.08Å; E934-R937 IonicContact OE2-CZ 2.76Å; E934-R937 IonicContact OE2-NE 3.35Å; E934-R937 PolarHBondContact OE2-NE 2.84Å; E934-R937 IonicContact OE2-NH2 3.65Å; E934-R937 PolarHBondContact OE2-NH2 3.02Å; R937-E940 PolarHBondContact O-N 2.88Å; R937-A941 WeakPolarHBondContact O-CB 3.32Å; R937-A941 PolarHBondContact O-N 2.96Å; R937-W994 HydrophobicContact CB-CH2 4.28Å; R937-W994 HydrophobicContact CB-CZ2 4.26Å; R937-W994 HydrophobicContact CB-CZ3 4.44Å; R937-W994 HydrophobicContact CG-CD2 4.09Å; R937-W994 HydrophobicContact CG-CE3 4.15Å; R937-W994 HydrophobicContact CG-CZ3 4.45Å; R937-W994 WeakPolarHBondContact O-CH2 3.47Å
938	L	97.9	Very high	98.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.3	-44.5	176.8	178.2	59.4	0	0	0	111.8	M562 P564 M860 L904 F909 I924 E934 C935 E940 A941 L942	M562-L938 HydrophobicContact CE-CB 3.54Å; M562-L938 HydrophobicContact CE-CD2 3.37Å; M562-L938 HydrophobicContact CE-CG 4.09Å; M562-L938 HydrophobicContact SD-CD2 4.45Å; P564-L938 HydrophobicContact CB-CD2 3.64Å; P564-L938 HydrophobicContact CG-CD2 3.53Å; M860-L938 HydrophobicContact CE-CB 4.17Å; M860-L938 HydrophobicContact CE-CD2 3.52Å; M860-L938 HydrophobicContact CE-CG 3.91Å; L904-L938 HydrophobicContact CD2-CD1 4.06Å; F909-L938 HydrophobicContact CB-CD1 4.46Å; F909-L938 HydrophobicContact CD1-CD1 4.37Å; F909-L938 HydrophobicContact CD2-CD1 4.2Å; F909-L938 HydrophobicContact CE1-CB 4.21Å; F909-L938 HydrophobicContact CE2-CB 4.37Å; F909-L938 HydrophobicContact CG-CD1 4.09Å; F909-L938 HydrophobicContact CZ-CB 4.07Å; I924-L938 HydrophobicContact CG2-CD2 4.39Å; E934-L938 PolarHBondContact O-N 3.33Å; E934-L938 VanDerWaalsContact O-N 3.11Å; C935-L938 PolarHBondContact O-N 3.05Å; L938-E940 VanDerWaalsContact C-N 3.32Å; L938-E940 PolarHBondContact O-N 3.08Å; L938-A941 PolarHBondContact O-N 3.28Å; L938-L942 HydrophobicContact CD1-CD1 4.39Å; L938-L942 HydrophobicContact CD1-CG 4.45Å; L938-L942 HydrophobicContact CG-CD1 4.4Å; L938-L942 PolarHBondContact O-N 3.49Å
939	C	98.6	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.3	-45.5	175.3	-75.1	0	0	0	0	111.6	R863 L864 C935 D936 L942 I943	R863-C939 HydrophobicContact CB-CB 4.32Å; L864-C939 HydrophobicContact CD2-CB 4.26Å; L864-C939 HydrophobicContact CG-CB 4.48Å; C935-C939 PolarHBondContact O-N 3.38Å; C935-C939 PolarHBondContact O-SG 3.13Å; D936-C939 PolarHBondContact O-N 3.17Å; C939-L942 PolarHBondContact O-N 3.36Å; C939-I943 VanDerWaalsContact O-CG1 3.25Å; C939-I943 WeakPolarHBondContact O-CG1 2.96Å; C939-I943 PolarHBondContact O-N 3.4Å
940	E	98	Very high	97.9	Very high	60 Å²	60	24.8 Å²	24.8	28%	0.28	14%	0.137	S	C	.	.	H	α-helix	trans	-64.9	-39.6	178.7	-168.1	64.3	-157.5	0	0	112.1	R863 D936 R937 L938 L942 I943 L944 W994	R863-E940 IonicContact NH2-OE2 2.72Å; R863-E940 PolarHBondContact NH2-OE2 3.05Å; D936-E940 VanDerWaalsContact O-CB 3.24Å; D936-E940 WeakPolarHBondContact O-CB 3.45Å; D936-E940 PolarHBondContact O-N 3.45Å; R937-E940 PolarHBondContact O-N 2.88Å; L938-E940 VanDerWaalsContact C-N 3.32Å; L938-E940 PolarHBondContact O-N 3.08Å; E940-L942 VanDerWaalsContact C-N 3.35Å; E940-L942 PolarHBondContact O-N 3.35Å; E940-I943 PolarHBondContact O-N 3.27Å; E940-L944 HydrophobicContact CG-CD1 4.11Å; E940-L944 WeakPolarHBondContact O-CB 3.34Å; E940-L944 VanDerWaalsContact O-CG 3.27Å; E940-L944 WeakPolarHBondContact O-CG 3.48Å; E940-L944 PolarHBondContact O-N 2.91Å; E940-W994 HydrophobicContact CB-CH2 4.22Å; E940-W994 HydrophobicContact CB-CZ3 3.8Å; E940-W994 HydrophobicContact CG-CZ3 3.8Å
941	A	98	Very high	97.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-45.7	174.7	0	0	0	0	0	111.6	L904 Y907 F909 R937 L938 L944 I945 W994	L904-A941 HydrophobicContact CD2-CB 4.09Å; Y907-A941 HydrophobicContact CD1-CB 3.59Å; Y907-A941 HydrophobicContact CE1-CB 4.37Å; Y907-A941 HydrophobicContact CG-CB 3.86Å; F909-A941 HydrophobicContact CD2-CB 4.21Å; F909-A941 HydrophobicContact CE2-CB 4.24Å; R937-A941 WeakPolarHBondContact O-CB 3.32Å; R937-A941 PolarHBondContact O-N 2.96Å; L938-A941 PolarHBondContact O-N 3.28Å; A941-L944 PolarHBondContact O-N 2.68Å; A941-I945 WeakPolarHBondContact O-CB 3.46Å; A941-I945 VanDerWaalsContact O-CG1 3.3Å; A941-I945 WeakPolarHBondContact O-CG1 3.49Å; A941-I945 PolarHBondContact O-N 3.09Å; A941-W994 HydrophobicContact CB-CH2 4.01Å; A941-W994 HydrophobicContact CB-CZ2 4.35Å
942	L	98.6	Very high	97.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-43.2	175.5	-71.3	169.7	0	0	0	111.6	L864 Y868 I885 I900 L904 I924 L938 C939 E940 L944 I945 R946	L864-L942 HydrophobicContact CD1-CD1 3.7Å; L864-L942 HydrophobicContact CD2-CB 3.84Å; L864-L942 HydrophobicContact CD2-CD1 4.21Å; Y868-L942 HydrophobicContact CE2-CB 3.93Å; Y868-L942 WeakPolarHBondContact CE2-O 3.38Å; Y868-L942 PolarHBondContact OH-O 3.47Å; I885-L942 HydrophobicContact CD1-CD1 4.41Å; I885-L942 HydrophobicContact CD1-CD2 4.37Å; I900-L942 HydrophobicContact CG2-CD2 4.29Å; L904-L942 HydrophobicContact CD1-CD2 4.21Å; L904-L942 HydrophobicContact CD2-CD2 4.09Å; L904-L942 HydrophobicContact CD2-CG 4.36Å; L904-L942 HydrophobicContact CG-CD2 4.49Å; I924-L942 HydrophobicContact CD1-CD1 3.83Å; L938-L942 HydrophobicContact CD1-CD1 4.39Å; L938-L942 HydrophobicContact CD1-CG 4.45Å; L938-L942 HydrophobicContact CG-CD1 4.4Å; L938-L942 PolarHBondContact O-N 3.49Å; C939-L942 PolarHBondContact O-N 3.36Å; E940-L942 VanDerWaalsContact C-N 3.35Å; E940-L942 PolarHBondContact O-N 3.35Å; L942-L944 VanDerWaalsContact C-N 3.33Å; L942-L944 PolarHBondContact O-N 3.04Å; L942-I945 PolarHBondContact O-N 3.49Å; L942-R946 PolarHBondContact O-N 2.97Å
943	I	98.6	Very high	97.6	Very high	20 Å²	20	28.2 Å²	28.2	10%	0.103	15%	0.153	C	C	.	.	H	α-helix	trans	-59.9	-43.1	176.2	-70.8	165.7	0	0	0	111.5	L864 Y867 C939 E940 R946 G947	L864-I943 HydrophobicContact CD2-CG1 4.11Å; Y867-I943 HydrophobicContact CD1-CB 4.5Å; Y867-I943 HydrophobicContact CD1-CG1 4.21Å; Y867-I943 HydrophobicContact CD1-CG2 3.99Å; Y867-I943 HydrophobicContact CD2-CD1 4.04Å; Y867-I943 HydrophobicContact CD2-CG1 3.7Å; Y867-I943 HydrophobicContact CE1-CB 4.48Å; Y867-I943 HydrophobicContact CE1-CG1 4.3Å; Y867-I943 HydrophobicContact CE1-CG2 3.58Å; Y867-I943 HydrophobicContact CE2-CD1 3.73Å; Y867-I943 HydrophobicContact CE2-CG1 3.79Å; Y867-I943 HydrophobicContact CE2-CG2 4.37Å; Y867-I943 HydrophobicContact CG-CG1 3.9Å; C939-I943 VanDerWaalsContact O-CG1 3.25Å; C939-I943 WeakPolarHBondContact O-CG1 2.96Å; C939-I943 PolarHBondContact O-N 3.4Å; E940-I943 PolarHBondContact O-N 3.27Å; I943-R946 WeakPolarHBondContact O-CB 3.47Å; I943-R946 PolarHBondContact O-N 3.34Å; I943-G947 PolarHBondContact O-N 3.5Å; I943-G947 VanDerWaalsContact O-N 3.09Å
944	L	98.1	Very high	97.6	Very high	52 Å²	52	32.6 Å²	32.6	27%	0.272	16%	0.162	S	C	.	.	H	α-helix	trans	-65.9	-41.5	176.8	-70.1	167.8	0	0	0	111.5	Y907 E940 A941 L942 R946 G947 E948 P993	Y907-L944 HydrophobicContact CE1-CB 3.78Å; Y907-L944 HydrophobicContact CE1-CD1 3.78Å; Y907-L944 HydrophobicContact CE1-CG 4.44Å; Y907-L944 WeakPolarHBondContact OH-CB 3.38Å; E940-L944 HydrophobicContact CG-CD1 4.11Å; E940-L944 WeakPolarHBondContact O-CB 3.34Å; E940-L944 VanDerWaalsContact O-CG 3.27Å; E940-L944 WeakPolarHBondContact O-CG 3.48Å; E940-L944 PolarHBondContact O-N 2.91Å; A941-L944 PolarHBondContact O-N 2.68Å; L942-L944 VanDerWaalsContact C-N 3.33Å; L942-L944 PolarHBondContact O-N 3.04Å; L944-R946 VanDerWaalsContact C-N 3.31Å; L944-R946 PolarHBondContact O-N 3.13Å; L944-G947 CarbonylContact O-C 3.26Å; L944-G947 WeakPolarHBondContact O-CA 3.14Å; L944-G947 PolarHBondContact O-N 3.15Å; L944-G947 VanDerWaalsContact O-N 3.08Å; L944-E948 PolarHBondContact O-N 2.92Å; L944-P993 HydrophobicContact CD1-CG 4.45Å
945	I	98.3	Very high	97.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-40.4	172.3	-73.9	167.5	0	0	0	111.2	I900 R903 L904 Y907 A941 L942 G947 E948 I949 L964	I900-I945 HydrophobicContact CG1-CG2 4.24Å; I900-I945 HydrophobicContact CG2-CG2 4.12Å; R903-I945 HydrophobicContact CB-CD1 4.19Å; R903-I945 HydrophobicContact CB-CG1 4.5Å; R903-I945 HydrophobicContact CG-CD1 4.02Å; R903-I945 HydrophobicContact CG-CG1 3.89Å; L904-I945 HydrophobicContact CD2-CD1 3.76Å; L904-I945 HydrophobicContact CG-CD1 3.86Å; Y907-I945 HydrophobicContact CD2-CD1 4.11Å; Y907-I945 HydrophobicContact CD2-CG1 4.23Å; Y907-I945 HydrophobicContact CE2-CD1 4.08Å; Y907-I945 HydrophobicContact CE2-CG1 3.68Å; A941-I945 WeakPolarHBondContact O-CB 3.46Å; A941-I945 VanDerWaalsContact O-CG1 3.3Å; A941-I945 WeakPolarHBondContact O-CG1 3.49Å; A941-I945 PolarHBondContact O-N 3.09Å; L942-I945 PolarHBondContact O-N 3.49Å; I945-G947 VanDerWaalsContact C-N 3.25Å; I945-G947 PolarHBondContact O-N 3.42Å; I945-E948 WeakPolarHBondContact O-CA 3.38Å; I945-E948 WeakPolarHBondContact O-CB 3.45Å; I945-E948 PolarHBondContact O-N 3.42Å; I945-I949 HydrophobicContact CG2-CD1 4.2Å; I945-I949 WeakPolarHBondContact O-CG1 3.22Å; I945-I949 PolarHBondContact O-N 3.39Å; I945-L964 HydrophobicContact CG2-CD2 3.84Å
946	R	98.1	Very high	97.4	Very high	51 Å²	51	40.9 Å²	40.9	19%	0.192	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-40.4	173.6	-179	66.7	-167.8	84.5	9.9	111.5	Y867 Y868 L942 I943 L944 I949 D950	Y867-R946 HydrophobicContact CD1-CG 4.34Å; Y867-R946 VanDerWaalsContact O-CD 3.24Å; Y867-R946 WeakPolarHBondContact O-CD 3.46Å; Y867-R946 PolarHBondContact O-NE 3.2Å; Y868-R946 HydrophobicContact CE2-CB 3.95Å; Y868-R946 PolarHBondContact OH-N 2.8Å; L942-R946 PolarHBondContact O-N 2.97Å; I943-R946 WeakPolarHBondContact O-CB 3.47Å; I943-R946 PolarHBondContact O-N 3.34Å; L944-R946 VanDerWaalsContact C-N 3.31Å; L944-R946 PolarHBondContact O-N 3.13Å; R946-I949 WeakPolarHBondContact O-CB 3.49Å; R946-I949 PolarHBondContact O-N 2.98Å; R946-D950 IonicContact CZ-OD1 2.75Å; R946-D950 IonicContact CZ-OD2 3.75Å; R946-D950 IonicContact NH1-OD1 3.59Å; R946-D950 PolarHBondContact NH1-OD1 3.44Å; R946-D950 IonicContact NH1-OD2 3.9Å; R946-D950 IonicContact NH2-OD1 3.79Å; R946-D950 PolarHBondContact NH2-OD1 3.26Å; R946-D950 IonicContact NH2-OD2 3.72Å; R946-D950 PolarHBondContact O-N 3.29Å
947	G	97.6	Very high	97.3	Very high	31 Å²	31	41 Å²	41	32%	0.32	22%	0.215	S	C	.	.	H	α-helix	trans	-65.4	-35.6	172.9	0	0	0	0	0	113.6	I943 L944 I945 D950 K951	I943-G947 PolarHBondContact O-N 3.5Å; I943-G947 VanDerWaalsContact O-N 3.09Å; L944-G947 CarbonylContact O-C 3.26Å; L944-G947 WeakPolarHBondContact O-CA 3.14Å; L944-G947 PolarHBondContact O-N 3.15Å; L944-G947 VanDerWaalsContact O-N 3.08Å; I945-G947 VanDerWaalsContact C-N 3.25Å; I945-G947 PolarHBondContact O-N 3.42Å; G947-D950 PolarHBondContact O-N 2.86Å; G947-K951 WeakPolarHBondContact O-CG 3.11Å; G947-K951 PolarHBondContact O-N 3.02Å; G947-K951 VanDerWaalsContact O-N 3.15Å
948	E	97.9	Very high	97.2	Very high	10 Å²	10	41.7 Å²	41.7	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-42.4	171	-67.8	-174.4	-170.1	0	0	111.6	R903 Y907 L944 I945 D950 K951 V952 W957 L964	R903-E948 IonicContact CZ-OE1 2.67Å; R903-E948 IonicContact CZ-OE2 3.81Å; R903-E948 IonicContact NE-OE1 3.11Å; R903-E948 PolarHBondContact NE-OE1 3.44Å; R903-E948 IonicContact NE-OE2 2.95Å; R903-E948 PolarHBondContact NE-OE2 3.02Å; R903-E948 IonicContact NH2-OE1 3.06Å; R903-E948 PolarHBondContact NH2-OE1 2.82Å; R903-E948 IonicContact NH2-OE2 3.71Å; Y907-E948 PolarHBondContact OH-OE1 3.33Å; L944-E948 PolarHBondContact O-N 2.92Å; I945-E948 WeakPolarHBondContact O-CA 3.38Å; I945-E948 WeakPolarHBondContact O-CB 3.45Å; I945-E948 PolarHBondContact O-N 3.42Å; E948-D950 VanDerWaalsContact C-N 3.32Å; E948-D950 PolarHBondContact O-N 3.34Å; E948-K951 WeakPolarHBondContact O-CB 3.42Å; E948-K951 PolarHBondContact O-N 2.76Å; E948-V952 PolarHBondContact O-N 3.07Å; E948-W957 HydrophobicContact CB-CH2 4.43Å; E948-W957 HydrophobicContact CB-CZ3 3.68Å; E948-W957 HydrophobicContact CG-CH2 3.92Å; E948-W957 HydrophobicContact CG-CZ3 3.66Å; E948-L964 HydrophobicContact CB-CD1 3.94Å; E948-L964 HydrophobicContact CB-CG 4.35Å
949	I	97.6	Very high	97	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-40	174.5	-63.7	168.8	0	0	0	110.8	F890 I895 I900 I945 R946 K951 V952 T953 L964	F890-I949 HydrophobicContact CB-CG2 4.48Å; F890-I949 HydrophobicContact CD1-CD1 4.27Å; F890-I949 HydrophobicContact CD1-CG2 3.64Å; F890-I949 HydrophobicContact CD2-CD1 4Å; F890-I949 HydrophobicContact CE1-CD1 4.36Å; F890-I949 HydrophobicContact CE1-CG2 4.1Å; F890-I949 HydrophobicContact CE2-CD1 4.1Å; F890-I949 HydrophobicContact CG-CD1 4.08Å; F890-I949 HydrophobicContact CG-CG2 4.17Å; F890-I949 HydrophobicContact CZ-CD1 4.28Å; I895-I949 HydrophobicContact CG2-CD1 4.35Å; I895-I949 HydrophobicContact CG2-CG1 4.2Å; I900-I949 HydrophobicContact CD1-CD1 4.02Å; I900-I949 HydrophobicContact CG1-CD1 4.21Å; I945-I949 HydrophobicContact CG2-CD1 4.2Å; I945-I949 WeakPolarHBondContact O-CG1 3.22Å; I945-I949 PolarHBondContact O-N 3.39Å; R946-I949 WeakPolarHBondContact O-CB 3.49Å; R946-I949 PolarHBondContact O-N 2.98Å; I949-K951 VanDerWaalsContact C-N 3.3Å; I949-K951 PolarHBondContact O-N 3.35Å; I949-V952 PolarHBondContact O-N 3.23Å; I949-T953 WeakPolarHBondContact O-CB 3.17Å; I949-T953 PolarHBondContact O-N 2.86Å; I949-T953 PolarHBondContact O-OG1 3.5Å; I949-L964 HydrophobicContact CB-CD1 4.47Å; I949-L964 HydrophobicContact CG1-CD1 3.61Å
950	D	96.9	Very high	96.8	Very high	49 Å²	49	50.4 Å²	50.4	26%	0.262	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-37.6	176	-78.2	-30.6	0	0	0	112.5	R946 G947 E948 T953 K954	R946-D950 IonicContact CZ-OD1 2.75Å; R946-D950 IonicContact CZ-OD2 3.75Å; R946-D950 IonicContact NH1-OD1 3.59Å; R946-D950 PolarHBondContact NH1-OD1 3.44Å; R946-D950 IonicContact NH1-OD2 3.9Å; R946-D950 IonicContact NH2-OD1 3.79Å; R946-D950 PolarHBondContact NH2-OD1 3.26Å; R946-D950 IonicContact NH2-OD2 3.72Å; R946-D950 PolarHBondContact O-N 3.29Å; G947-D950 PolarHBondContact O-N 2.86Å; E948-D950 VanDerWaalsContact C-N 3.32Å; E948-D950 PolarHBondContact O-N 3.34Å; D950-T953 PolarHBondContact O-N 3.23Å; D950-K954 WeakPolarHBondContact O-CB 3.33Å; D950-K954 VanDerWaalsContact O-CG 3.25Å; D950-K954 WeakPolarHBondContact O-CG 3.46Å; D950-K954 PolarHBondContact O-N 3.45Å
951	K	97.4	Very high	96.7	Very high	80 Å²	80	49.2 Å²	49.2	35%	0.348	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-40.8	176.7	-70.2	-179.4	178.6	177.7	0	112.2	G947 E948 I949 G955 E956 W957	G947-K951 WeakPolarHBondContact O-CG 3.11Å; G947-K951 PolarHBondContact O-N 3.02Å; G947-K951 VanDerWaalsContact O-N 3.15Å; E948-K951 WeakPolarHBondContact O-CB 3.42Å; E948-K951 PolarHBondContact O-N 2.76Å; I949-K951 VanDerWaalsContact C-N 3.3Å; I949-K951 PolarHBondContact O-N 3.35Å; K951-G955 PolarHBondContact O-N 3.41Å; K951-E956 HydrophobicContact CB-CB 4.16Å; K951-E956 WeakPolarHBondContact O-CB 3.32Å; K951-E956 PolarHBondContact O-N 3.47Å; K951-W957 HydrophobicContact CB-CD2 3.89Å; K951-W957 HydrophobicContact CB-CE3 3.85Å; K951-W957 HydrophobicContact CB-CG 4.19Å; K951-W957 HydrophobicContact CB-CZ3 4.43Å; K951-W957 HydrophobicContact CD-CD2 3.97Å; K951-W957 HydrophobicContact CD-CE3 4.09Å; K951-W957 HydrophobicContact CD-CH2 3.83Å; K951-W957 HydrophobicContact CD-CZ2 3.67Å; K951-W957 HydrophobicContact CD-CZ3 4.04Å; K951-W957 PolarHBondContact O-N 2.59Å
952	V	97.1	Very high	96.7	Very high	12 Å²	12	49.2 Å²	49.2	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-45.5	172.9	178.8	0	0	0	0	110.1	I895 E948 I949 K954 G955 W957 I959 N962	I895-V952 HydrophobicContact CG1-CG1 4.49Å; E948-V952 PolarHBondContact O-N 3.07Å; I949-V952 PolarHBondContact O-N 3.23Å; V952-K954 VanDerWaalsContact C-N 3.3Å; V952-K954 PolarHBondContact O-N 2.94Å; V952-G955 PolarHBondContact O-N 3.44Å; V952-W957 HydrophobicContact CG2-CB 4.2Å; V952-W957 HydrophobicContact CG2-CE3 4.46Å; V952-I959 HydrophobicContact CG1-CG1 4.3Å; V952-N962 HydrophobicContact CG2-CB 3.99Å
953	T	94.9	Very high	96.7	Very high	67 Å²	67	49.2 Å²	49.2	41%	0.411	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-37.6	-179.8	-54	0	0	0	0	112.6	Q893 I949 D950 G955	Q893-T953 HydrophobicContact CG-CG2 4.04Å; I949-T953 WeakPolarHBondContact O-CB 3.17Å; I949-T953 PolarHBondContact O-N 2.86Å; I949-T953 PolarHBondContact O-OG1 3.5Å; D950-T953 PolarHBondContact O-N 3.23Å; T953-G955 VanDerWaalsContact C-N 3.31Å
954	K	95.7	Very high	96.6	Very high	147 Å²	147	48.2 Å²	48.2	64%	0.639	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.9	177.9	-68.8	169.8	-174.8	172.9	0	113.6	D950 V952 E956	D950-K954 WeakPolarHBondContact O-CB 3.33Å; D950-K954 VanDerWaalsContact O-CG 3.25Å; D950-K954 WeakPolarHBondContact O-CG 3.46Å; D950-K954 PolarHBondContact O-N 3.45Å; V952-K954 VanDerWaalsContact C-N 3.3Å; V952-K954 PolarHBondContact O-N 2.94Å; K954-E956 VanDerWaalsContact C-N 3.29Å; K954-E956 HydrophobicContact CB-CG 4.19Å; K954-E956 WeakPolarHBondContact CD-OE1 3.29Å; K954-E956 PolarHBondContact O-N 3.03Å
955	G	94.6	Very high	96.6	Very high	62 Å²	62	47.4 Å²	47.4	64%	0.639	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	16.8	-175.5	0	0	0	0	0	114.5	K951 V952 T953 W957	K951-G955 PolarHBondContact O-N 3.41Å; V952-G955 PolarHBondContact O-N 3.44Å; T953-G955 VanDerWaalsContact C-N 3.31Å; G955-W957 VanDerWaalsContact C-N 3.32Å
956	E	96.3	Very high	96.6	Very high	117 Å²	117	50.4 Å²	50.4	55%	0.547	27%	0.268	S	S	.	.	S	Bend	trans	-72.9	-29.2	173.5	-65.3	176.2	-146.8	0	0	111.7	K951 K954	K951-E956 HydrophobicContact CB-CB 4.16Å; K951-E956 WeakPolarHBondContact O-CB 3.32Å; K951-E956 PolarHBondContact O-N 3.47Å; K954-E956 VanDerWaalsContact C-N 3.29Å; K954-E956 HydrophobicContact CB-CG 4.19Å; K954-E956 WeakPolarHBondContact CD-OE1 3.29Å; K954-E956 PolarHBondContact O-N 3.03Å
957	W	95.8	Very high	96.6	Very high	35 Å²	35	48 Å²	48	13%	0.133	26%	0.259	C	S	.	.	S	Bend	trans	-118.5	147.2	172.1	-74.1	-16.8	0	0	0	110.9	E948 K951 V952 G955 N962 P963 V987	E948-W957 HydrophobicContact CB-CH2 4.43Å; E948-W957 HydrophobicContact CB-CZ3 3.68Å; E948-W957 HydrophobicContact CG-CH2 3.92Å; E948-W957 HydrophobicContact CG-CZ3 3.66Å; K951-W957 HydrophobicContact CB-CD2 3.89Å; K951-W957 HydrophobicContact CB-CE3 3.85Å; K951-W957 HydrophobicContact CB-CG 4.19Å; K951-W957 HydrophobicContact CB-CZ3 4.43Å; K951-W957 HydrophobicContact CD-CD2 3.97Å; K951-W957 HydrophobicContact CD-CE3 4.09Å; K951-W957 HydrophobicContact CD-CH2 3.83Å; K951-W957 HydrophobicContact CD-CZ2 3.67Å; K951-W957 HydrophobicContact CD-CZ3 4.04Å; K951-W957 PolarHBondContact O-N 2.59Å; V952-W957 HydrophobicContact CG2-CB 4.2Å; V952-W957 HydrophobicContact CG2-CE3 4.46Å; G955-W957 VanDerWaalsContact C-N 3.32Å; W957-N962 HydrophobicContact CB-CB 4.11Å; W957-N962 HydrophobicContact CE3-CB 4.37Å; W957-P963 HydrophobicContact CE3-CG 4.18Å; W957-P963 HydrophobicContact CH2-CG 3.75Å; W957-P963 HydrophobicContact CZ2-CG 4.31Å; W957-P963 HydrophobicContact CZ3-CG 3.66Å; W957-V987 HydrophobicContact CH2-CG1 4Å; W957-V987 HydrophobicContact CZ2-CG1 4.17Å
958	D	94.6	Very high	96.6	Very high	83 Å²	83	46.6 Å²	46.6	44%	0.444	25%	0.245	S	C	.	.			trans	-59.9	140.9	176	-176.2	-94.1	0	0	0	111.1	E960 C961 N962 P982	D958-E960 VanDerWaalsContact C-N 3.35Å; D958-E960 PolarHBondContact O-N 2.94Å; D958-E960 WeakPolarHBondContact OD1-CA 3.28Å; D958-E960 PolarHBondContact OD1-N 3.38Å; D958-C961 HydrophobicContact CB-CB 4.37Å; D958-C961 PolarHBondContact OD1-N 3.3Å; D958-N962 WeakPolarHBondContact O-CB 3.49Å; D958-N962 PolarHBondContact O-ND2 2.99Å; D958-P982 HydrophobicContact CB-CG 4.44Å
959	I	94.5	Very high	96.6	Very high	77 Å²	77	46.2 Å²	46.2	40%	0.395	24%	0.243	S	C	.	.	S	Bend	trans	-70	-30.6	-174.6	-166.6	169.5	0	0	0	112.9	N894 V952 N962	N894-I959 HydrophobicContact CB-CD1 3.89Å; N894-I959 HydrophobicContact CB-CG1 3.86Å; V952-I959 HydrophobicContact CG1-CG1 4.3Å; I959-N962 PolarHBondContact O-ND2 3.19Å
960	E	94.2	Very high	96.6	Very high	106 Å²	106	46.6 Å²	46.6	50%	0.495	25%	0.245	S	C	.	.	S	Bend	trans	-96.9	-34.2	-179.4	-60	-53.5	135.2	0	0	112.1	N894 D958 K965 M966	N894-E960 PolarHBondContact ND2-OE1 3.01Å; N894-E960 PolarHBondContact ND2-OE2 3.28Å; D958-E960 VanDerWaalsContact C-N 3.35Å; D958-E960 PolarHBondContact O-N 2.94Å; D958-E960 WeakPolarHBondContact OD1-CA 3.28Å; D958-E960 PolarHBondContact OD1-N 3.38Å; E960-K965 VanDerWaalsContact O-CB 3.31Å; E960-K965 WeakPolarHBondContact O-CB 3.18Å; E960-M966 WeakPolarHBondContact O-CE 3.22Å
961	C	95.9	Very high	96.6	Very high	34 Å²	34	48.5 Å²	48.5	23%	0.23	25%	0.253	C	S	.	.	S	Bend	trans	-116.4	72.1	-174.2	-165.9	0	0	0	0	112.2	D958 P982	D958-C961 HydrophobicContact CB-CB 4.37Å; D958-C961 PolarHBondContact OD1-N 3.3Å; C961-P982 WeakPolarHBondContact O-CD 3.35Å; C961-P982 WeakPolarHBondContact O-CG 3.29Å
962	N	97.5	Very high	96.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-129.8	168.7	175.4	59.7	66.2	0	0	0	111	V952 W957 D958 I959 L964 K965 M966 Y983	V952-N962 HydrophobicContact CG2-CB 3.99Å; W957-N962 HydrophobicContact CB-CB 4.11Å; W957-N962 HydrophobicContact CE3-CB 4.37Å; D958-N962 WeakPolarHBondContact O-CB 3.49Å; D958-N962 PolarHBondContact O-ND2 2.99Å; I959-N962 PolarHBondContact O-ND2 3.19Å; N962-L964 PolarHBondContact O-N 3.11Å; N962-L964 WeakPolarHBondContact OD1-CB 3.17Å; N962-L964 PolarHBondContact OD1-N 3.39Å; N962-L964 VanDerWaalsContact OD1-N 3.07Å; N962-K965 PolarHBondContact O-N 3.21Å; N962-K965 PolarHBondContact OD1-N 2.77Å; N962-M966 VanDerWaalsContact O-CB 3.26Å; N962-M966 WeakPolarHBondContact O-CB 3.35Å; N962-M966 WeakPolarHBondContact O-CG 3.38Å; N962-M966 PolarHBondContact O-N 3.23Å; N962-M966 VanDerWaalsContact O-N 3.11Å; N962-Y983 VanDerWaalsContact C-CE1 3.46Å
963	P	98.2	Very high	96.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.6	-31.1	-178	-25	33.8	0	0	0	114.8	R903 W957 A967 H969 Y983 V987	R903-P963 WeakPolarHBondContact CD-O 3.25Å; W957-P963 HydrophobicContact CE3-CG 4.18Å; W957-P963 HydrophobicContact CH2-CG 3.75Å; W957-P963 HydrophobicContact CZ2-CG 4.31Å; W957-P963 HydrophobicContact CZ3-CG 3.66Å; P963-A967 WeakPolarHBondContact O-CB 3.33Å; P963-A967 PolarHBondContact O-N 3.05Å; P963-A967 VanDerWaalsContact O-N 3.07Å; P963-H969 PolarHBondContact O-CE1 3.3Å; P963-Y983 HydrophobicContact CB-CD2 4.47Å; P963-Y983 HydrophobicContact CB-CE2 4.3Å; P963-Y983 HydrophobicContact CG-CD1 3.9Å; P963-Y983 HydrophobicContact CG-CD2 3.72Å; P963-Y983 HydrophobicContact CG-CE1 4.18Å; P963-Y983 HydrophobicContact CG-CE2 3.97Å; P963-Y983 HydrophobicContact CG-CG 3.66Å; P963-V987 HydrophobicContact CG-CG1 3.79Å
964	L	98.3	Very high	96.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-70.5	-51.7	-179.9	-72	155.4	0	0	0	111.5	I895 D899 R903 I945 E948 I949 N962 M966 A967 R1014	I895-L964 HydrophobicContact CD1-CB 3.96Å; I895-L964 HydrophobicContact CD1-CD1 4.05Å; I895-L964 HydrophobicContact CG1-CD1 4.48Å; I895-L964 HydrophobicContact CG2-CD1 4.46Å; D899-L964 HydrophobicContact CB-CB 4.25Å; R903-L964 HydrophobicContact CB-CD2 3.74Å; R903-L964 HydrophobicContact CG-CD2 3.75Å; R903-L964 HydrophobicContact CG-CG 4.45Å; I945-L964 HydrophobicContact CG2-CD2 3.84Å; E948-L964 HydrophobicContact CB-CD1 3.94Å; E948-L964 HydrophobicContact CB-CG 4.35Å; I949-L964 HydrophobicContact CB-CD1 4.47Å; I949-L964 HydrophobicContact CG1-CD1 3.61Å; N962-L964 PolarHBondContact O-N 3.11Å; N962-L964 WeakPolarHBondContact OD1-CB 3.17Å; N962-L964 PolarHBondContact OD1-N 3.39Å; N962-L964 VanDerWaalsContact OD1-N 3.07Å; L964-M966 PolarHBondContact O-N 3.09Å; L964-A967 PolarHBondContact O-N 3.05Å; L964-R1014 PolarHBondContact O-NH2 3.07Å
965	K	97.4	Very high	96.5	Very high	34 Å²	34	47.4 Å²	47.4	15%	0.148	25%	0.25	C	C	.	.	H	α-helix	trans	-63.9	-29.8	178.6	-73.5	-54.8	-137.2	-168.5	0	113.1	N894 I895 D899 E960 N962 R1014	N894-K965 WeakPolarHBondContact ND2-CE 3.44Å; N894-K965 WeakPolarHBondContact O-CE 3.29Å; N894-K965 PolarHBondContact O-NZ 3.07Å; N894-K965 PolarHBondContact OD1-NZ 2.89Å; I895-K965 HydrophobicContact CD1-CD 4.38Å; I895-K965 HydrophobicContact CD1-CG 4.3Å; D899-K965 WeakPolarHBondContact OD1-CD 3.47Å; D899-K965 IonicContact OD2-NZ 3.79Å; D899-K965 PolarHBondContact OD2-NZ 3.23Å; E960-K965 VanDerWaalsContact O-CB 3.31Å; E960-K965 WeakPolarHBondContact O-CB 3.18Å; N962-K965 PolarHBondContact O-N 3.21Å; N962-K965 PolarHBondContact OD1-N 2.77Å; K965-R1014 PolarHBondContact O-NH2 2.89Å
966	M	97.7	Very high	96.5	Very high	64 Å²	64	48.1 Å²	48.1	32%	0.315	24%	0.239	S	C	.	.	H	α-helix	trans	-94.8	-6.7	-175.2	-64.7	-64.5	126.5	0	0	114	E960 N962 L964 R981 Y983	E960-M966 WeakPolarHBondContact O-CE 3.22Å; N962-M966 VanDerWaalsContact O-CB 3.26Å; N962-M966 WeakPolarHBondContact O-CB 3.35Å; N962-M966 WeakPolarHBondContact O-CG 3.38Å; N962-M966 PolarHBondContact O-N 3.23Å; N962-M966 VanDerWaalsContact O-N 3.11Å; L964-M966 PolarHBondContact O-N 3.09Å; M966-R981 PolarHBondContact SD-NH1 3.03Å; M966-Y983 WeakPolarHBondContact CB-OH 3.5Å; M966-Y983 WeakPolarHBondContact CG-OH 3.15Å
967	A	98.3	Very high	96.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.			trans	-68.9	149.4	176.1	0	0	0	0	0	112	K902 R903 P963 L964 R1014	K902-A967 HydrophobicContact CB-CB 4Å; K902-A967 WeakPolarHBondContact CB-O 3.15Å; R903-A967 HydrophobicContact CB-CB 4.01Å; P963-A967 WeakPolarHBondContact O-CB 3.33Å; P963-A967 PolarHBondContact O-N 3.05Å; P963-A967 VanDerWaalsContact O-N 3.07Å; L964-A967 PolarHBondContact O-N 3.05Å; A967-R1014 PolarHBondContact O-NE 3.47Å; A967-R1014 PolarHBondContact O-NH2 3.21Å
968	P	98.4	Very high	96.5	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.013	28%	0.277	C	S	.	.	S	Bend	cis	-83.3	156.1	-1.8	33	-33.1	0	0	0	113.4	E169 M905 P1010	E169-P968 HydrophobicContact CB-CG 3.79Å; E169-P968 HydrophobicContact CG-CG 3.69Å; M905-P968 HydrophobicContact CB-CB 4.1Å; M905-P968 HydrophobicContact SD-CB 3.8Å; M905-P968 HydrophobicContact SD-CG 3.83Å; P968-P1010 HydrophobicContact CB-CB 3.65Å; P968-P1010 HydrophobicContact CB-CG 3.64Å; P968-P1010 HydrophobicContact CG-CB 4.03Å
969	H	98.2	Very high	96.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	27%	0.266	C	S	.	.			trans	-98.5	108.6	179.9	-61.4	85.6	0	0	0	111.3	D906 P963 V974 Y983 A988	D906-H969 PolarHBondContact OD1-N 2.96Å; D906-H969 IonicContact OD1-ND1 3.08Å; D906-H969 IonicContact OD2-CE1 4Å; D906-H969 IonicContact OD2-CG 2.63Å; D906-H969 IonicContact OD2-ND1 2.62Å; D906-H969 PolarHBondContact OD2-ND1 3.37Å; P963-H969 PolarHBondContact O-CE1 3.3Å; H969-V974 HydrophobicContact CB-CG2 3.95Å; H969-Y983 AromaticContact NE2-CE2 3.47Å; H969-Y983 WeakPolarHBondContact NE2-CE2 3.43Å; H969-Y983 AromaticContact NE2-CZ 3.62Å; H969-Y983 PolarHBondContact NE2-OH 3.3Å; H969-A988 HydrophobicContact CB-CB 4.28Å
970	T	97.6	Very high	96.5	Very high	8 Å²	8	53.5 Å²	53.5	5%	0.049	27%	0.274	C	S	.	.			trans	-71.7	160.5	178.1	74.8	0	0	0	0	112.4	E972 T973 V974 V1012 S1013	T970-E972 PolarHBondContact O-N 3.1Å; T970-E972 PolarHBondContact OG1-N 2.99Å; T970-T973 PolarHBondContact O-N 2.98Å; T970-T973 PolarHBondContact OG1-N 3.08Å; T970-T973 PolarHBondContact OG1-OG1 2.89Å; T970-V974 WeakPolarHBondContact O-CG2 3.49Å; T970-V974 PolarHBondContact O-N 3.37Å; T970-V1012 WeakPolarHBondContact CG2-O 3.42Å; T970-S1013 VanDerWaalsContact CG2-N 3.32Å
971	M	96.4	Very high	96.6	Very high	88 Å²	88	50.7 Å²	50.7	43%	0.433	26%	0.259	S	S	.	.	H	α-helix	trans	-55.7	-42.7	173.5	-174	-174.7	-64.5	0	0	111.4	V974 M975 W1009	M971-V974 PolarHBondContact O-N 2.83Å; M971-M975 HydrophobicContact CG-CG 4.42Å; M971-M975 HydrophobicContact CG-SD 3.76Å; M971-M975 WeakPolarHBondContact O-CB 3.43Å; M971-M975 VanDerWaalsContact O-CG 3.29Å; M971-M975 WeakPolarHBondContact O-CG 3.5Å; M971-M975 PolarHBondContact O-N 2.93Å; M971-M975 HydrophobicContact SD-SD 4.3Å; M971-W1009 VanDerWaalsContact CA-CE3 3.4Å; M971-W1009 HydrophobicContact CB-CB 4.44Å; M971-W1009 HydrophobicContact CB-CD2 3.72Å; M971-W1009 HydrophobicContact CB-CE3 3.78Å; M971-W1009 HydrophobicContact CB-CG 4.04Å; M971-W1009 HydrophobicContact CB-CZ3 4.25Å; M971-W1009 HydrophobicContact CE-CB 4.39Å; M971-W1009 HydrophobicContact CE-CD2 4.12Å; M971-W1009 HydrophobicContact CE-CG 3.68Å; M971-W1009 HydrophobicContact CG-CD2 4.25Å; M971-W1009 HydrophobicContact CG-CZ2 4.42Å; M971-W1009 VanDerWaalsContact N-CE3 3.25Å
972	E	95.1	Very high	96.6	Very high	118 Å²	118	52.8 Å²	52.8	55%	0.551	27%	0.272	S	S	*	.	H	α-helix	trans	-64	-47.6	179.9	-172.6	176.1	177.4	0	0	111.9	K367 T970 V974 M975 D976	K367-E972 IonicContact NZ-OE1 3.36Å; K367-E972 PolarHBondContact NZ-OE1 3.27Å; K367-E972 IonicContact NZ-OE2 2.67Å; K367-E972 PolarHBondContact NZ-OE2 2.93Å; T970-E972 PolarHBondContact O-N 3.1Å; T970-E972 PolarHBondContact OG1-N 2.99Å; E972-V974 VanDerWaalsContact C-N 3.26Å; E972-V974 PolarHBondContact O-N 3.19Å; E972-M975 PolarHBondContact O-N 3.34Å; E972-D976 PolarHBondContact O-N 2.73Å
973	T	95	Very high	96.5	Very high	16 Å²	16	53.4 Å²	53.4	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-38.5	177.3	-52	0	0	0	0	112	T970 W979	T970-T973 PolarHBondContact O-N 2.98Å; T970-T973 PolarHBondContact OG1-N 3.08Å; T970-T973 PolarHBondContact OG1-OG1 2.89Å; T973-W979 HydrophobicContact CG2-CZ3 4.39Å
974	V	96.6	Very high	96.5	Very high	13 Å²	13	57.2 Å²	57.2	8%	0.079	30%	0.298	C	S	.	.	H	α-helix	trans	-76.1	-29.3	-179	173.8	0	0	0	0	112	H969 T970 M971 E972 R985 A989 W1009	H969-V974 HydrophobicContact CB-CG2 3.95Å; T970-V974 WeakPolarHBondContact O-CG2 3.49Å; T970-V974 PolarHBondContact O-N 3.37Å; M971-V974 PolarHBondContact O-N 2.83Å; E972-V974 VanDerWaalsContact C-N 3.26Å; E972-V974 PolarHBondContact O-N 3.19Å; V974-R985 HydrophobicContact CG1-CB 4.17Å; V974-R985 VanDerWaalsContact O-CD 3.32Å; V974-R985 WeakPolarHBondContact O-CD 3.26Å; V974-R985 PolarHBondContact O-NH1 3.27Å; V974-A989 HydrophobicContact CG1-CB 4.07Å; V974-A989 HydrophobicContact CG2-CB 4.03Å; V974-W1009 HydrophobicContact CB-CH2 4.13Å; V974-W1009 HydrophobicContact CB-CZ3 4.08Å; V974-W1009 HydrophobicContact CG1-CH2 4.07Å; V974-W1009 HydrophobicContact CG1-CZ3 4.47Å; V974-W1009 HydrophobicContact CG2-CH2 4.36Å; V974-W1009 HydrophobicContact CG2-CZ3 3.95Å
975	M	96.2	Very high	96.4	Very high	136 Å²	136	61.3 Å²	61.3	67%	0.67	31%	0.314	S	S	*	.	H	α-helix	trans	-89.9	-8.3	179.9	-70.5	-174.9	67.6	0	0	114.2	M971 E972 S977	M971-M975 HydrophobicContact CG-CG 4.42Å; M971-M975 HydrophobicContact CG-SD 3.76Å; M971-M975 WeakPolarHBondContact O-CB 3.43Å; M971-M975 VanDerWaalsContact O-CG 3.29Å; M971-M975 WeakPolarHBondContact O-CG 3.5Å; M971-M975 PolarHBondContact O-N 2.93Å; M971-M975 HydrophobicContact SD-SD 4.3Å; E972-M975 PolarHBondContact O-N 3.34Å; M975-S977 PolarHBondContact O-N 3.5Å
976	D	95.3	Very high	96.2	Very high	77 Å²	77	63 Å²	63	41%	0.412	32%	0.322	S	S	.	.			trans	-51.2	140.2	177.6	-162.5	-59.6	0	0	0	111.5	E972 K978 R985	E972-D976 PolarHBondContact O-N 2.73Å; D976-K978 PolarHBondContact O-N 3.18Å; D976-K978 PolarHBondContact OD1-N 3.18Å; D976-R985 PolarHBondContact O-NH1 3.28Å; D976-R985 PolarHBondContact O-NH2 2.65Å
977	S	96.2	Very high	96.1	Very high	126 Å²	126	61.9 Å²	61.9	88%	0.881	32%	0.319	S	S	*	.	S	Bend	trans	-63.7	-31.9	177.7	-65.4	0	0	0	0	111.9	M975	M975-S977 PolarHBondContact O-N 3.5Å
978	K	95.3	Very high	96	Very high	138 Å²	138	61.9 Å²	61.9	60%	0.6	32%	0.319	S	S	*	.			trans	-96.9	129.7	175.5	-170.6	-173.2	-178.4	-140.1	0	109.8	D976 D980	D976-K978 PolarHBondContact O-N 3.18Å; D976-K978 PolarHBondContact OD1-N 3.18Å; K978-D980 WeakPolarHBondContact CE-OD2 3.36Å; K978-D980 IonicContact NZ-OD2 3.82Å; K978-D980 PolarHBondContact NZ-OD2 3.21Å
979	W	96.1	Very high	95.9	Very high	55 Å²	55	61.8 Å²	61.8	21%	0.208	32%	0.318	C	S	.	.			trans	-130.4	100.3	173.4	-176.3	-94.3	0	0	0	109.3	T973 R981 Y983 R985 A988	T973-W979 HydrophobicContact CG2-CZ3 4.39Å; W979-R981 HydrophobicContact CZ2-CB 3.98Å; W979-R981 VanDerWaalsContact CZ2-CD 3.45Å; W979-R981 HydrophobicContact CZ2-CG 4.33Å; W979-Y983 HydrophobicContact CH2-CE2 4.21Å; W979-Y983 HydrophobicContact CZ2-CD2 4.02Å; W979-Y983 AromaticContact CZ2-CE2 3.75Å; W979-Y983 HydrophobicContact CZ2-CE2 3.75Å; W979-Y983 PolarHBondContact NE1-O 3.12Å; W979-R985 HydrophobicContact CD2-CG 3.64Å; W979-R985 HydrophobicContact CE3-CG 3.81Å; W979-R985 HydrophobicContact CG-CG 4.09Å; W979-R985 HydrophobicContact CH2-CG 4.34Å; W979-R985 HydrophobicContact CZ2-CG 4.2Å; W979-R985 HydrophobicContact CZ3-CG 4.16Å; W979-A988 HydrophobicContact CH2-CB 3.7Å; W979-A988 HydrophobicContact CZ2-CB 4.04Å
980	D	93.1	Very high	95.7	Very high	106 Å²	106	63.3 Å²	63.3	57%	0.567	33%	0.325	S	S	*	.			trans	-108.1	44.4	-174.2	53.3	-1.6	0	0	0	112.1	K978	K978-D980 WeakPolarHBondContact CE-OD2 3.36Å; K978-D980 IonicContact NZ-OD2 3.82Å; K978-D980 PolarHBondContact NZ-OD2 3.21Å
981	R	95.8	Very high	95.6	Very high	48 Å²	48	64.1 Å²	64.1	18%	0.181	33%	0.33	C	S	.	.	S	Bend	trans	-122.7	141.8	-178.5	-63.3	162.9	-178.4	-77.1	-1.7	110.7	M966 W979 Y983	M966-R981 PolarHBondContact SD-NH1 3.03Å; W979-R981 HydrophobicContact CZ2-CB 3.98Å; W979-R981 VanDerWaalsContact CZ2-CD 3.45Å; W979-R981 HydrophobicContact CZ2-CG 4.33Å; R981-Y983 HydrophobicContact CB-CD1 4.16Å; R981-Y983 HydrophobicContact CB-CE1 3.78Å; R981-Y983 HydrophobicContact CB-CE2 4.39Å; R981-Y983 WeakPolarHBondContact CD-OH 3.08Å; R981-Y983 HydrophobicContact CG-CE1 4.35Å; R981-Y983 PolarHBondContact NH1-OH 3.16Å; R981-Y983 VanDerWaalsContact NH1-OH 3.1Å; R981-Y983 PolarHBondContact O-N 3.45Å
982	P	95.5	Very high	95.4	Very high	78 Å²	78	60 Å²	60	51%	0.506	31%	0.31	S	S	.	.	S	Bend	trans	-78.7	22.5	-175	34.3	-37	0	0	0	113.9	D958 C961	D958-P982 HydrophobicContact CB-CG 4.44Å; C961-P982 WeakPolarHBondContact O-CD 3.35Å; C961-P982 WeakPolarHBondContact O-CG 3.29Å
983	Y	96.8	Very high	95	Very high	12 Å²	12	57.8 Å²	57.8	5%	0.047	31%	0.306	C	S	.	.	S	Bend	trans	-143.8	157.4	177.2	55	-89.8	0	0	0	108.7	N962 P963 M966 H969 W979 R981 V987 A988	N962-Y983 VanDerWaalsContact C-CE1 3.46Å; P963-Y983 HydrophobicContact CB-CD2 4.47Å; P963-Y983 HydrophobicContact CB-CE2 4.3Å; P963-Y983 HydrophobicContact CG-CD1 3.9Å; P963-Y983 HydrophobicContact CG-CD2 3.72Å; P963-Y983 HydrophobicContact CG-CE1 4.18Å; P963-Y983 HydrophobicContact CG-CE2 3.97Å; P963-Y983 HydrophobicContact CG-CG 3.66Å; M966-Y983 WeakPolarHBondContact CB-OH 3.5Å; M966-Y983 WeakPolarHBondContact CG-OH 3.15Å; H969-Y983 AromaticContact NE2-CE2 3.47Å; H969-Y983 WeakPolarHBondContact NE2-CE2 3.43Å; H969-Y983 AromaticContact NE2-CZ 3.62Å; H969-Y983 PolarHBondContact NE2-OH 3.3Å; W979-Y983 HydrophobicContact CH2-CE2 4.21Å; W979-Y983 HydrophobicContact CZ2-CD2 4.02Å; W979-Y983 AromaticContact CZ2-CE2 3.75Å; W979-Y983 HydrophobicContact CZ2-CE2 3.75Å; W979-Y983 PolarHBondContact NE1-O 3.12Å; R981-Y983 HydrophobicContact CB-CD1 4.16Å; R981-Y983 HydrophobicContact CB-CE1 3.78Å; R981-Y983 HydrophobicContact CB-CE2 4.39Å; R981-Y983 WeakPolarHBondContact CD-OH 3.08Å; R981-Y983 HydrophobicContact CG-CE1 4.35Å; R981-Y983 PolarHBondContact NH1-OH 3.16Å; R981-Y983 VanDerWaalsContact NH1-OH 3.1Å; R981-Y983 PolarHBondContact O-N 3.45Å; Y983-V987 HydrophobicContact CD2-CG1 4.43Å; Y983-A988 HydrophobicContact CD2-CB 4.38Å; Y983-A988 HydrophobicContact CE2-CB 3.99Å
984	T	96.5	Very high	94.6	Very high	80 Å²	80	58 Å²	58	49%	0.491	31%	0.305	S	S	.	.			trans	-79.4	156.6	-173.2	67	0	0	0	0	112.4	Q986 V987 A988	T984-Q986 PolarHBondContact O-N 3.01Å; T984-V987 WeakPolarHBondContact O-CB 3.47Å; T984-V987 PolarHBondContact O-N 2.67Å; T984-V987 WeakPolarHBondContact OG1-CG2 3.19Å; T984-V987 PolarHBondContact OG1-N 3.35Å; T984-A988 PolarHBondContact O-N 2.7Å
985	R	96.1	Very high	94.1	Very high	87 Å²	87	57.9 Å²	57.9	33%	0.328	30%	0.304	S	S	.	.	H	α-helix	trans	-53.2	-33.2	168.7	-65.6	174.7	-168.3	-142.7	7.6	112.8	V974 D976 W979 A988 A989	V974-R985 HydrophobicContact CG1-CB 4.17Å; V974-R985 VanDerWaalsContact O-CD 3.32Å; V974-R985 WeakPolarHBondContact O-CD 3.26Å; V974-R985 PolarHBondContact O-NH1 3.27Å; D976-R985 PolarHBondContact O-NH1 3.28Å; D976-R985 PolarHBondContact O-NH2 2.65Å; W979-R985 HydrophobicContact CD2-CG 3.64Å; W979-R985 HydrophobicContact CE3-CG 3.81Å; W979-R985 HydrophobicContact CG-CG 4.09Å; W979-R985 HydrophobicContact CH2-CG 4.34Å; W979-R985 HydrophobicContact CZ2-CG 4.2Å; W979-R985 HydrophobicContact CZ3-CG 4.16Å; R985-A988 WeakPolarHBondContact O-CB 3.43Å; R985-A988 PolarHBondContact O-N 3.38Å; R985-A989 PolarHBondContact O-N 3Å
986	Q	93.9	Very high	93.3	Very high	68 Å²	68	54.4 Å²	54.4	32%	0.318	29%	0.288	S	S	.	.	H	α-helix	trans	-66	-43.6	176.9	176.5	63.8	48.8	0	0	111.5	T984 A988 F990 N996	T984-Q986 PolarHBondContact O-N 3.01Å; Q986-A988 VanDerWaalsContact C-N 3.3Å; Q986-F990 PolarHBondContact NE2-O 3.33Å; Q986-F990 VanDerWaalsContact NE2-O 3.16Å; Q986-F990 CarbonylContact O-C 3.47Å; Q986-F990 VanDerWaalsContact O-C 3.24Å; Q986-F990 WeakPolarHBondContact O-CA 3.4Å; Q986-F990 PolarHBondContact O-N 2.89Å; Q986-N996 VanDerWaalsContact NE2-CG 3.33Å; Q986-N996 PolarHBondContact NE2-ND2 2.94Å; Q986-N996 PolarHBondContact NE2-OD1 3.39Å
987	V	95.5	Very high	92.1	Very high	42 Å²	42	55.3 Å²	55.3	26%	0.255	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-37.5	171.9	170.5	0	0	0	0	110.9	R903 W957 P963 Y983 T984	R903-V987 PolarHBondContact NH2-O 3.14Å; W957-V987 HydrophobicContact CH2-CG1 4Å; W957-V987 HydrophobicContact CZ2-CG1 4.17Å; P963-V987 HydrophobicContact CG-CG1 3.79Å; Y983-V987 HydrophobicContact CD2-CG1 4.43Å; T984-V987 WeakPolarHBondContact O-CB 3.47Å; T984-V987 PolarHBondContact O-N 2.67Å; T984-V987 WeakPolarHBondContact OG1-CG2 3.19Å; T984-V987 PolarHBondContact OG1-N 3.35Å
988	A	97.3	Very high	90.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-58.3	178.3	0	0	0	0	0	112.4	R903 D906 H969 W979 Y983 T984 R985 Q986	R903-A988 PolarHBondContact NH1-O 2.87Å; D906-A988 WeakPolarHBondContact CB-O 3.38Å; H969-A988 HydrophobicContact CB-CB 4.28Å; W979-A988 HydrophobicContact CH2-CB 3.7Å; W979-A988 HydrophobicContact CZ2-CB 4.04Å; Y983-A988 HydrophobicContact CD2-CB 4.38Å; Y983-A988 HydrophobicContact CE2-CB 3.99Å; T984-A988 PolarHBondContact O-N 2.7Å; R985-A988 WeakPolarHBondContact O-CB 3.43Å; R985-A988 PolarHBondContact O-N 3.38Å; Q986-A988 VanDerWaalsContact C-N 3.3Å
989	A	95.3	Very high	89.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-96.9	-26.3	-166.4	0	0	0	0	0	115.3	V974 R985 K1007 W1009	V974-A989 HydrophobicContact CG1-CB 4.07Å; V974-A989 HydrophobicContact CG2-CB 4.03Å; R985-A989 PolarHBondContact O-N 3Å; A989-K1007 WeakPolarHBondContact O-CE 3.39Å; A989-K1007 PolarHBondContact O-NZ 3.39Å; A989-W1009 HydrophobicContact CB-CH2 3.72Å; A989-W1009 HydrophobicContact CB-CZ3 3.92Å
990	F	94.6	Very high	87.1	Confident	34 Å²	34	62 Å²	62	15%	0.149	31%	0.313	C	S	.	.			trans	-131.7	53.3	-173.5	-55	-76.3	0	0	0	111.4	Q986 A992 Q995 N996 K1004 K1007 W1009	Q986-F990 PolarHBondContact NE2-O 3.33Å; Q986-F990 VanDerWaalsContact NE2-O 3.16Å; Q986-F990 CarbonylContact O-C 3.47Å; Q986-F990 VanDerWaalsContact O-C 3.24Å; Q986-F990 WeakPolarHBondContact O-CA 3.4Å; Q986-F990 PolarHBondContact O-N 2.89Å; F990-A992 VanDerWaalsContact C-N 3.26Å; F990-A992 PolarHBondContact O-N 3.11Å; F990-Q995 HydrophobicContact CB-CB 4.37Å; F990-Q995 HydrophobicContact CD1-CB 4.33Å; F990-N996 PolarHBondContact O-ND2 3.42Å; F990-K1004 HydrophobicContact CD1-CB 4.33Å; F990-K1004 HydrophobicContact CD1-CD 4.43Å; F990-K1004 HydrophobicContact CD1-CG 3.95Å; F990-K1004 HydrophobicContact CE1-CB 3.9Å; F990-K1004 HydrophobicContact CE1-CD 4.41Å; F990-K1004 HydrophobicContact CE1-CG 3.98Å; F990-K1004 HydrophobicContact CZ-CB 4.48Å; F990-K1007 HydrophobicContact CE1-CB 3.94Å; F990-K1007 HydrophobicContact CE1-CD 4.37Å; F990-K1007 HydrophobicContact CE1-CG 3.97Å; F990-W1009 HydrophobicContact CZ-CZ2 4.25Å
991	P	94.8	Very high	85.2	Confident	25 Å²	25	61.4 Å²	61.4	16%	0.162	32%	0.317	C	S	.	.			trans	-69.2	-22.9	-174.4	30	-37.9	0	0	0	113.7	D906 Y907	D906-P991 HydrophobicContact CB-CG 4.45Å; Y907-P991 HydrophobicContact CD1-CB 4.44Å; Y907-P991 HydrophobicContact CD1-CG 3.91Å; Y907-P991 HydrophobicContact CD2-CB 4.41Å; Y907-P991 HydrophobicContact CD2-CG 3.61Å; Y907-P991 HydrophobicContact CE1-CB 3.79Å; Y907-P991 HydrophobicContact CE1-CG 3.75Å; Y907-P991 HydrophobicContact CE2-CB 3.76Å; Y907-P991 HydrophobicContact CE2-CG 3.45Å; Y907-P991 VanDerWaalsContact CE2-CG 3.45Å; Y907-P991 HydrophobicContact CG-CG 3.84Å; Y907-P991 VanDerWaalsContact CZ-CB 3.43Å; Y907-P991 WeakPolarHBondContact OH-CB 3.24Å
992	A	92.1	Very high	83.5	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.008	32%	0.318	C	S	.	.	S	Bend	trans	-88.7	147.6	-172.1	0	0	0	0	0	113.4	Y907 F990 W994 Q995 N996	Y907-A992 HydrophobicContact CD1-CB 3.89Å; Y907-A992 HydrophobicContact CE1-CB 4.29Å; F990-A992 VanDerWaalsContact C-N 3.26Å; F990-A992 PolarHBondContact O-N 3.11Å; A992-W994 VanDerWaalsContact C-N 3.3Å; A992-W994 HydrophobicContact CB-CD2 3.52Å; A992-W994 HydrophobicContact CB-CE3 3.82Å; A992-W994 HydrophobicContact CB-CG 4.18Å; A992-W994 HydrophobicContact CB-CH2 3.6Å; A992-W994 HydrophobicContact CB-CZ2 3.3Å; A992-W994 HydrophobicContact CB-CZ3 3.84Å; A992-W994 PolarHBondContact O-N 3.2Å; A992-Q995 HydrophobicContact CB-CB 4.45Å; A992-Q995 HydrophobicContact CB-CG 4.05Å; A992-Q995 PolarHBondContact O-N 3.49Å; A992-N996 PolarHBondContact O-ND2 2.87Å
993	P	87.3	Confident	82.2	Confident	72 Å²	72	57.5 Å²	57.5	47%	0.468	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-39.8	174	-26.3	34.4	0	0	0	113.3	L944 Q995 N996 M997	L944-P993 HydrophobicContact CD1-CG 4.45Å; P993-Q995 PolarHBondContact O-N 2.72Å; P993-N996 CarbonylContact O-C 3.58Å; P993-N996 PolarHBondContact O-N 2.68Å; P993-M997 PolarHBondContact O-N 3.28Å
994	W	87.1	Confident	81.3	Confident	21 Å²	21	61.5 Å²	61.5	8%	0.08	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-63.3	-42	-179	54.6	90.5	0	0	0	112.4	Y907 F909 R937 E940 A941 A992 N996 M997 V1002	Y907-W994 HydrophobicContact CD1-CH2 4.38Å; Y907-W994 HydrophobicContact CD1-CZ2 4.34Å; F909-W994 HydrophobicContact CE2-CZ2 4.09Å; R937-W994 HydrophobicContact CB-CH2 4.28Å; R937-W994 HydrophobicContact CB-CZ2 4.26Å; R937-W994 HydrophobicContact CB-CZ3 4.44Å; R937-W994 HydrophobicContact CG-CD2 4.09Å; R937-W994 HydrophobicContact CG-CE3 4.15Å; R937-W994 HydrophobicContact CG-CZ3 4.45Å; R937-W994 WeakPolarHBondContact O-CH2 3.47Å; E940-W994 HydrophobicContact CB-CH2 4.22Å; E940-W994 HydrophobicContact CB-CZ3 3.8Å; E940-W994 HydrophobicContact CG-CZ3 3.8Å; A941-W994 HydrophobicContact CB-CH2 4.01Å; A941-W994 HydrophobicContact CB-CZ2 4.35Å; A992-W994 VanDerWaalsContact C-N 3.3Å; A992-W994 HydrophobicContact CB-CD2 3.52Å; A992-W994 HydrophobicContact CB-CE3 3.82Å; A992-W994 HydrophobicContact CB-CG 4.18Å; A992-W994 HydrophobicContact CB-CH2 3.6Å; A992-W994 HydrophobicContact CB-CZ2 3.3Å; A992-W994 HydrophobicContact CB-CZ3 3.84Å; A992-W994 PolarHBondContact O-N 3.2Å; W994-N996 PolarHBondContact O-N 2.95Å; W994-M997 VanDerWaalsContact CA-CE 3.44Å; W994-M997 HydrophobicContact CB-CE 3.5Å; W994-M997 WeakPolarHBondContact O-CB 3.49Å; W994-M997 PolarHBondContact O-N 3.39Å; W994-V1002 CarbonylContact C-O 3.49Å; W994-V1002 HydrophobicContact CB-CB 4.37Å; W994-V1002 HydrophobicContact CB-CG1 4.49Å; W994-V1002 HydrophobicContact CG-CG1 4.32Å
995	Q	85.4	Confident	80.5	Confident	10 Å²	10	67.6 Å²	67.6	5%	0.047	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-60	-18.4	175.2	-65.9	169.4	-27.1	0	0	112.8	D906 Y907 F990 A992 P993 K1004	D906-Q995 PolarHBondContact O-NE2 2.81Å; Y907-Q995 PolarHBondContact O-NE2 2.77Å; F990-Q995 HydrophobicContact CB-CB 4.37Å; F990-Q995 HydrophobicContact CD1-CB 4.33Å; A992-Q995 HydrophobicContact CB-CB 4.45Å; A992-Q995 HydrophobicContact CB-CG 4.05Å; A992-Q995 PolarHBondContact O-N 3.49Å; P993-Q995 PolarHBondContact O-N 2.72Å; Q995-K1004 WeakPolarHBondContact O-CG 3.44Å; Q995-K1004 PolarHBondContact O-N 3.21Å
996	N	79.5	Confident	79.8	Confident	63 Å²	63	66.2 Å²	66.2	34%	0.337	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-105.8	2	179.7	-68.3	-63.4	0	0	0	114.3	Q986 F990 A992 P993 W994 K1004	Q986-N996 VanDerWaalsContact NE2-CG 3.33Å; Q986-N996 PolarHBondContact NE2-ND2 2.94Å; Q986-N996 PolarHBondContact NE2-OD1 3.39Å; F990-N996 PolarHBondContact O-ND2 3.42Å; A992-N996 PolarHBondContact O-ND2 2.87Å; P993-N996 CarbonylContact O-C 3.58Å; P993-N996 PolarHBondContact O-N 2.68Å; W994-N996 PolarHBondContact O-N 2.95Å; N996-K1004 WeakPolarHBondContact OD1-CE 3.48Å; N996-K1004 PolarHBondContact OD1-NZ 3.18Å
997	M	70.8	Confident	79.7	Confident	96 Å²	96	64 Å²	64	47%	0.473	32%	0.322	S	S	.	.			trans	-64.5	143.7	176.3	-72.7	-162.6	-92.4	0	0	111.2	P993 W994 D999	P993-M997 PolarHBondContact O-N 3.28Å; W994-M997 VanDerWaalsContact CA-CE 3.44Å; W994-M997 HydrophobicContact CB-CE 3.5Å; W994-M997 WeakPolarHBondContact O-CB 3.49Å; W994-M997 PolarHBondContact O-N 3.39Å; M997-D999 VanDerWaalsContact C-N 3.3Å
998	K	66.7	Low	79.5	Confident	216 Å²	216	64.4 Å²	64.4	94%	0.939	32%	0.322	S	S	*	.	S	Bend	trans	-75.4	-21.5	173.8	-69.2	-174.3	179.2	-179.6	0	112.5
999	D	60.8	Low	79.4	Confident	111 Å²	111	67.5 Å²	67.5	59%	0.594	33%	0.334	S	S	*	.	S	Bend	trans	-79.4	145.2	176.1	-172.4	5.7	0	0	0	110.9	M997 S1001 S1003	M997-D999 VanDerWaalsContact C-N 3.3Å; D999-S1001 PolarHBondContact O-N 3.13Å; D999-S1003 WeakPolarHBondContact O-CB 3.24Å
1000	E	54.2	Low	79.5	Confident	132 Å²	132	67.6 Å²	67.6	62%	0.617	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-75.8	-21.8	-160.6	-62.2	-166.4	143.6	0	0	114.5	V1002 R1005	E1000-V1002 PolarHBondContact O-N 3.42Å; E1000-R1005 IonicContact OE1-NH1 2.79Å; E1000-R1005 PolarHBondContact OE1-NH1 3.38Å
1001	S	53.7	Low	79.7	Confident	93 Å²	93	68.5 Å²	68.5	65%	0.65	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-60.5	-35.8	-165.6	59.4	0	0	0	0	115.6	D999	D999-S1001 PolarHBondContact O-N 3.13Å
1002	V	59	Low	79.8	Confident	34 Å²	34	68.1 Å²	68.1	21%	0.206	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-143.1	48.9	171.8	-162.3	0	0	0	0	110.3	W994 E1000	W994-V1002 CarbonylContact C-O 3.49Å; W994-V1002 HydrophobicContact CB-CB 4.37Å; W994-V1002 HydrophobicContact CB-CG1 4.49Å; W994-V1002 HydrophobicContact CG-CG1 4.32Å; E1000-V1002 PolarHBondContact O-N 3.42Å
1003	S	69.5	Low	80.1	Confident	11 Å²	11	68.4 Å²	68.4	8%	0.077	34%	0.342	C	S	.	.	S	Bend	trans	-80.3	176.6	-176.1	69.1	0	0	0	0	113.2	D999 R1005 S1006	D999-S1003 WeakPolarHBondContact O-CB 3.24Å; S1003-R1005 PolarHBondContact O-N 2.99Å; S1003-R1005 WeakPolarHBondContact OG-CB 3.34Å; S1003-R1005 PolarHBondContact OG-N 2.98Å; S1003-S1006 PolarHBondContact N-OG 3.32Å; S1003-S1006 PolarHBondContact O-N 3.4Å; S1003-S1006 PolarHBondContact O-OG 3.05Å
1004	K	78.1	Confident	80.6	Confident	96 Å²	96	67.2 Å²	67.2	42%	0.417	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-46.5	-25.6	167.5	-62.4	-168.8	-177.1	-167.7	0	113.4	F990 Q995 N996 S1006	F990-K1004 HydrophobicContact CD1-CB 4.33Å; F990-K1004 HydrophobicContact CD1-CD 4.43Å; F990-K1004 HydrophobicContact CD1-CG 3.95Å; F990-K1004 HydrophobicContact CE1-CB 3.9Å; F990-K1004 HydrophobicContact CE1-CD 4.41Å; F990-K1004 HydrophobicContact CE1-CG 3.98Å; F990-K1004 HydrophobicContact CZ-CB 4.48Å; Q995-K1004 WeakPolarHBondContact O-CG 3.44Å; Q995-K1004 PolarHBondContact O-N 3.21Å; N996-K1004 WeakPolarHBondContact OD1-CE 3.48Å; N996-K1004 PolarHBondContact OD1-NZ 3.18Å; K1004-S1006 VanDerWaalsContact C-N 3.29Å; K1004-S1006 PolarHBondContact O-N 2.95Å
1005	R	78.6	Confident	81.1	Confident	208 Å²	208	66.8 Å²	66.8	79%	0.785	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-71.7	-19.5	178.9	-59.8	-177.8	176.1	168.3	2.1	113.9	E1000 S1003	E1000-R1005 IonicContact OE1-NH1 2.79Å; E1000-R1005 PolarHBondContact OE1-NH1 3.38Å; S1003-R1005 PolarHBondContact O-N 2.99Å; S1003-R1005 WeakPolarHBondContact OG-CB 3.34Å; S1003-R1005 PolarHBondContact OG-N 2.98Å
1006	S	81.3	Confident	81.6	Confident	57 Å²	57	69.1 Å²	69.1	40%	0.399	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-99.9	9.2	180	65.1	0	0	0	0	113.7	S1003 K1004 L1008	S1003-S1006 PolarHBondContact N-OG 3.32Å; S1003-S1006 PolarHBondContact O-N 3.4Å; S1003-S1006 PolarHBondContact O-OG 3.05Å; K1004-S1006 VanDerWaalsContact C-N 3.29Å; K1004-S1006 PolarHBondContact O-N 2.95Å; S1006-L1008 PolarHBondContact O-N 3.41Å
1007	K	91.4	Very high	82.3	Confident	23 Å²	23	69.3 Å²	69.3	10%	0.1	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-59.3	120.8	-175.8	173.9	61.9	-179.8	175.4	0	111.5	D906 A989 F990 W1009	D906-K1007 PolarHBondContact O-NZ 3.24Å; A989-K1007 WeakPolarHBondContact O-CE 3.39Å; A989-K1007 PolarHBondContact O-NZ 3.39Å; F990-K1007 HydrophobicContact CE1-CB 3.94Å; F990-K1007 HydrophobicContact CE1-CD 4.37Å; F990-K1007 HydrophobicContact CE1-CG 3.97Å; K1007-W1009 HydrophobicContact CG-CD2 4.03Å; K1007-W1009 HydrophobicContact CG-CG 4.33Å; K1007-W1009 HydrophobicContact CG-CZ2 3.99Å
1008	L	91.5	Very high	83.4	Confident	49 Å²	49	69.1 Å²	69.1	26%	0.257	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-80.4	125.8	166.6	-54.7	170.4	0	0	0	109	I556 H560 S1006	I556-L1008 HydrophobicContact CD1-CD1 3.86Å; I556-L1008 HydrophobicContact CG1-CD1 4.17Å; H560-L1008 HydrophobicContact CB-CD1 3.65Å; H560-L1008 HydrophobicContact CB-CD2 4.21Å; H560-L1008 WeakPolarHBondContact CD2-CD2 3.3Å; S1006-L1008 PolarHBondContact O-N 3.41Å
1009	W	96.2	Very high	84.9	Confident	65 Å²	65	62.6 Å²	62.6	25%	0.246	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-102.1	123	-179.3	-72.2	97.7	0	0	0	110.3	M971 V974 A989 F990 K1007 T1011	M971-W1009 VanDerWaalsContact CA-CE3 3.4Å; M971-W1009 HydrophobicContact CB-CB 4.44Å; M971-W1009 HydrophobicContact CB-CD2 3.72Å; M971-W1009 HydrophobicContact CB-CE3 3.78Å; M971-W1009 HydrophobicContact CB-CG 4.04Å; M971-W1009 HydrophobicContact CB-CZ3 4.25Å; M971-W1009 HydrophobicContact CE-CB 4.39Å; M971-W1009 HydrophobicContact CE-CD2 4.12Å; M971-W1009 HydrophobicContact CE-CG 3.68Å; M971-W1009 HydrophobicContact CG-CD2 4.25Å; M971-W1009 HydrophobicContact CG-CZ2 4.42Å; M971-W1009 VanDerWaalsContact N-CE3 3.25Å; V974-W1009 HydrophobicContact CB-CH2 4.13Å; V974-W1009 HydrophobicContact CB-CZ3 4.08Å; V974-W1009 HydrophobicContact CG1-CH2 4.07Å; V974-W1009 HydrophobicContact CG1-CZ3 4.47Å; V974-W1009 HydrophobicContact CG2-CH2 4.36Å; V974-W1009 HydrophobicContact CG2-CZ3 3.95Å; A989-W1009 HydrophobicContact CB-CH2 3.72Å; A989-W1009 HydrophobicContact CB-CZ3 3.92Å; F990-W1009 HydrophobicContact CZ-CZ2 4.25Å; K1007-W1009 HydrophobicContact CG-CD2 4.03Å; K1007-W1009 HydrophobicContact CG-CG 4.33Å; K1007-W1009 HydrophobicContact CG-CZ2 3.99Å; W1009-T1011 PolarHBondContact O-N 3.17Å
1010	P	98	Very high	86.5	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.013	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-52.8	132.4	160.1	-23.7	35.4	0	0	0	109.3	I170 M905 P968	I170-P1010 HydrophobicContact CG2-CB 4.37Å; I170-P1010 HydrophobicContact CG2-CG 4.45Å; M905-P1010 HydrophobicContact CB-CG 3.98Å; P968-P1010 HydrophobicContact CB-CB 3.65Å; P968-P1010 HydrophobicContact CB-CG 3.64Å; P968-P1010 HydrophobicContact CG-CB 4.03Å
1011	T	97.3	Very high	88.4	Confident	53 Å²	53	53.6 Å²	53.6	33%	0.325	27%	0.272	S	S	.	.	S	Bend	trans	-91.3	-17.3	-169.5	57.7	0	0	0	0	113.8	E169 Q172 K554 W1009	E169-T1011 PolarHBondContact O-N 3.08Å; E169-T1011 VanDerWaalsContact O-N 3.07Å; E169-T1011 PolarHBondContact O-OG1 2.82Å; Q172-T1011 WeakPolarHBondContact CG-OG1 3.37Å; K554-T1011 HydrophobicContact CB-CG2 3.74Å; K554-T1011 HydrophobicContact CG-CG2 3.93Å; W1009-T1011 PolarHBondContact O-N 3.17Å
1012	V	98.2	Very high	90.4	Very high	17 Å²	17	55.8 Å²	55.8	10%	0.103	27%	0.272	C	S	.	.	S	Bend	trans	-139.1	157	174.1	-66.9	0	0	0	0	108.3	E169 Q172 D363 A369 T970 L1015	E169-V1012 HydrophobicContact CB-CG2 4.17Å; E169-V1012 HydrophobicContact CG-CG2 4.16Å; Q172-V1012 HydrophobicContact CG-CG1 4.09Å; Q172-V1012 HydrophobicContact CG-CG2 3.75Å; D363-V1012 HydrophobicContact CB-CB 4.3Å; A369-V1012 HydrophobicContact CB-CB 4.21Å; A369-V1012 HydrophobicContact CB-CG1 4.05Å; A369-V1012 HydrophobicContact CB-CG2 4.15Å; T970-V1012 WeakPolarHBondContact CG2-O 3.42Å; V1012-L1015 HydrophobicContact CG2-CD1 3.65Å
1013	S	97.7	Very high	92	Very high	8 Å²	8	58.3 Å²	58.3	6%	0.056	28%	0.281	C	S	.	.			trans	-72.3	-178.4	174.8	-48.4	0	0	0	0	109.6	E169 D363 M365 T970 L1015	E169-S1013 WeakPolarHBondContact CG-O 3.39Å; D363-S1013 WeakPolarHBondContact CB-O 3.33Å; D363-S1013 WeakPolarHBondContact OD2-CB 3.48Å; D363-S1013 PolarHBondContact OD2-N 2.71Å; D363-S1013 PolarHBondContact OD2-OG 3.06Å; M365-S1013 VanDerWaalsContact CG-OG 3.29Å; M365-S1013 WeakPolarHBondContact CG-OG 3.42Å; T970-S1013 VanDerWaalsContact CG2-N 3.32Å; S1013-L1015 PolarHBondContact O-N 2.87Å
1014	R	98	Very high	93.2	Very high	46 Å²	46	59.8 Å²	59.8	17%	0.174	29%	0.288	C	S	.	.			trans	-53.4	130.5	179.9	-175.4	176	-64.6	-162	-0.4	111.3	D363 A364 D899 K902 L964 K965 A967	D363-R1014 CarbonylContact C-O 3.45Å; D363-R1014 VanDerWaalsContact CA-O 3.31Å; D363-R1014 WeakPolarHBondContact CA-O 3.28Å; A364-R1014 HydrophobicContact CB-CB 4.42Å; A364-R1014 PolarHBondContact N-O 2.75Å; D899-R1014 IonicContact OD1-CZ 3.1Å; D899-R1014 VanDerWaalsContact OD1-CZ 3.27Å; D899-R1014 IonicContact OD1-NH1 2.76Å; D899-R1014 PolarHBondContact OD1-NH1 3.45Å; D899-R1014 IonicContact OD1-NH2 2.85Å; D899-R1014 PolarHBondContact OD1-NH2 2.8Å; K902-R1014 HydrophobicContact CG-CG 4.49Å; L964-R1014 PolarHBondContact O-NH2 3.07Å; K965-R1014 PolarHBondContact O-NH2 2.89Å; A967-R1014 PolarHBondContact O-NE 3.47Å; A967-R1014 PolarHBondContact O-NH2 3.21Å
1015	L	96.6	Very high	93.9	Very high	13 Å²	13	56.7 Å²	56.7	7%	0.068	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-74.9	146.6	179.3	-91.4	80.5	0	0	0	113.3	P168 E169 A369 Y370 R371 V1012 S1013 D1017	P168-L1015 HydrophobicContact CB-CD1 4.08Å; P168-L1015 HydrophobicContact CB-CD2 3.77Å; P168-L1015 HydrophobicContact CG-CB 4.38Å; P168-L1015 HydrophobicContact CG-CD1 4.01Å; P168-L1015 HydrophobicContact CG-CD2 3.82Å; P168-L1015 HydrophobicContact CG-CG 4.3Å; E169-L1015 HydrophobicContact CG-CD1 3.63Å; E169-L1015 PolarHBondContact OE1-N 3.06Å; E169-L1015 VanDerWaalsContact OE1-N 3.11Å; A369-L1015 HydrophobicContact CB-CD1 4.05Å; A369-L1015 HydrophobicContact CB-CD2 4.18Å; A369-L1015 HydrophobicContact CB-CG 3.99Å; Y370-L1015 VanDerWaalsContact O-CD2 3.26Å; Y370-L1015 WeakPolarHBondContact O-CD2 3.49Å; R371-L1015 HydrophobicContact CB-CD2 3.55Å; R371-L1015 HydrophobicContact CG-CD2 4.04Å; V1012-L1015 HydrophobicContact CG2-CD1 3.65Å; S1013-L1015 PolarHBondContact O-N 2.87Å; L1015-D1017 PolarHBondContact O-N 3.05Å
1016	D	96.5	Very high	94.6	Very high	59 Å²	59	46.8 Å²	46.8	32%	0.316	24%	0.238	S	C	.	.			trans	-87.7	97.9	166.4	-171.4	-23.3	0	0	0	109.5	S361 K362 V1018 Y1019	S361-D1016 PolarHBondContact OG-O 3.11Å; K362-D1016 HydrophobicContact CG-CB 4.16Å; K362-D1016 WeakPolarHBondContact O-CB 3.32Å; K362-D1016 PolarHBondContact O-N 3.39Å; D1016-V1018 PolarHBondContact OD1-N 3.45Å; D1016-Y1019 WeakPolarHBondContact OD1-CB 3.44Å; D1016-Y1019 PolarHBondContact OD1-N 3.19Å; D1016-Y1019 VanDerWaalsContact OD2-CB 3.32Å; D1016-Y1019 WeakPolarHBondContact OD2-CB 3.3Å
1017	D	93.6	Very high	94.8	Very high	66 Å²	66	44.6 Å²	44.6	35%	0.353	22%	0.223	S	C	.	.	H	α-helix	trans	-65.6	-39.3	-179.5	-76	-52.1	0	0	0	112.2	R371 L1015	R371-D1017 WeakPolarHBondContact CD-OD1 3.43Å; R371-D1017 IonicContact CZ-OD1 3.08Å; R371-D1017 IonicContact NE-OD1 2.65Å; R371-D1017 PolarHBondContact NE-OD1 3.26Å; R371-D1017 PolarHBondContact NH1-O 3Å; R371-D1017 IonicContact NH2-OD1 3.6Å; L1015-D1017 PolarHBondContact O-N 3.05Å
1018	V	95.4	Very high	93.9	Very high	92 Å²	92	43.6 Å²	43.6	56%	0.558	22%	0.218	S	C	*	.	H	α-helix	trans	-69.9	-43.9	-175.1	178.3	0	0	0	0	110.9	D1016 G1020 D1021 Q1022	D1016-V1018 PolarHBondContact OD1-N 3.45Å; V1018-G1020 VanDerWaalsContact C-N 3.32Å; V1018-G1020 PolarHBondContact O-N 2.86Å; V1018-D1021 PolarHBondContact O-N 2.93Å; V1018-Q1022 HydrophobicContact CG1-CG 4.33Å; V1018-Q1022 WeakPolarHBondContact O-CG 3.41Å; V1018-Q1022 PolarHBondContact O-N 3.29Å; V1018-Q1022 VanDerWaalsContact O-N 3.1Å
1019	Y	97.1	Very high	92.5	Very high	80 Å²	80	43 Å²	43	31%	0.314	22%	0.218	S	C	.	.	H	α-helix	trans	-57.3	-44.4	-179.9	178.3	-89.8	0	0	0	112.3	K362 D1016 D1021 Q1022 H1023	K362-Y1019 HydrophobicContact CB-CD1 4.5Å; K362-Y1019 HydrophobicContact CD-CD1 4.08Å; K362-Y1019 HydrophobicContact CD-CD2 4.14Å; K362-Y1019 HydrophobicContact CD-CE1 4.13Å; K362-Y1019 HydrophobicContact CD-CE2 4.18Å; K362-Y1019 HydrophobicContact CD-CG 4.09Å; K362-Y1019 HydrophobicContact CG-CD1 3.82Å; K362-Y1019 HydrophobicContact CG-CE1 4.15Å; K362-Y1019 HydrophobicContact CG-CG 4.08Å; D1016-Y1019 WeakPolarHBondContact OD1-CB 3.44Å; D1016-Y1019 PolarHBondContact OD1-N 3.19Å; D1016-Y1019 VanDerWaalsContact OD2-CB 3.32Å; D1016-Y1019 WeakPolarHBondContact OD2-CB 3.3Å; Y1019-D1021 VanDerWaalsContact C-N 3.34Å; Y1019-D1021 PolarHBondContact O-N 2.67Å; Y1019-Q1022 PolarHBondContact O-N 3.01Å; Y1019-H1023 AromaticContact CD2-CE1 3.64Å; Y1019-H1023 AromaticContact CD2-ND1 3.41Å; Y1019-H1023 WeakPolarHBondContact CD2-ND1 3.48Å; Y1019-H1023 HydrophobicContact CE1-CB 4.17Å; Y1019-H1023 AromaticContact CE2-CE1 3.48Å; Y1019-H1023 VanDerWaalsContact CE2-CE1 3.48Å; Y1019-H1023 WeakPolarHBondContact CE2-CE1 3.2Å; Y1019-H1023 AromaticContact CE2-CG 3.93Å; Y1019-H1023 AromaticContact CE2-ND1 3.37Å; Y1019-H1023 WeakPolarHBondContact CE2-ND1 3.26Å; Y1019-H1023 AromaticContact CG-ND1 3.83Å; Y1019-H1023 AromaticContact CZ-CG 3.87Å; Y1019-H1023 AromaticContact CZ-ND1 3.75Å; Y1019-H1023 PolarHBondContact O-N 2.8Å; Y1019-H1023 PolarHBondContact O-ND1 3.03Å
1020	G	95.2	Very high	90.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-33.5	-178.3	0	0	0	0	0	113.8	S361 V1018 H1023	S361-G1020 WeakPolarHBondContact OG-CA 3.22Å; S361-G1020 PolarHBondContact OG-N 2.97Å; S361-G1020 VanDerWaalsContact OG-N 3.15Å; V1018-G1020 VanDerWaalsContact C-N 3.32Å; V1018-G1020 PolarHBondContact O-N 2.86Å; G1020-H1023 CarbonylContact O-C 3.55Å
1021	D	94.3	Very high	88.8	Confident	52 Å²	52	43.1 Å²	43.1	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-76.8	-28.2	175.5	-78.4	2.7	0	0	0	111.9	R371 L374 V1018 Y1019	R371-D1021 IonicContact CZ-OD1 3.21Å; R371-D1021 VanDerWaalsContact NH1-CG 3.34Å; R371-D1021 IonicContact NH1-OD1 3.8Å; R371-D1021 PolarHBondContact NH1-OD1 2.84Å; R371-D1021 IonicContact NH1-OD2 2.67Å; R371-D1021 IonicContact NH2-OD1 3.59Å; R371-D1021 IonicContact NH2-OD2 3.88Å; L374-D1021 HydrophobicContact CD2-CB 4.19Å; L374-D1021 PolarHBondContact N-OD1 3.44Å; V1018-D1021 PolarHBondContact O-N 2.93Å; Y1019-D1021 VanDerWaalsContact C-N 3.34Å; Y1019-D1021 PolarHBondContact O-N 2.67Å
1022	Q	94.3	Very high	86.5	Confident	140 Å²	140	44.1 Å²	44.1	65%	0.654	23%	0.228	S	C	*	.	H	α-helix	trans	-77.7	-31.4	174.1	-70.2	179.4	-9.3	0	0	113	V1018 Y1019	V1018-Q1022 HydrophobicContact CG1-CG 4.33Å; V1018-Q1022 WeakPolarHBondContact O-CG 3.41Å; V1018-Q1022 PolarHBondContact O-N 3.29Å; V1018-Q1022 VanDerWaalsContact O-N 3.1Å; Y1019-Q1022 PolarHBondContact O-N 3.01Å
1023	H	93.3	Very high	83.5	Confident	87 Å²	87	49.6 Å²	49.6	40%	0.403	25%	0.252	S	S	.	.	S	Bend	trans	-118.5	63.4	-178.3	-56	84.8	0	0	0	110.5	Y1019 G1020 I1025	Y1019-H1023 AromaticContact CD2-CE1 3.64Å; Y1019-H1023 AromaticContact CD2-ND1 3.41Å; Y1019-H1023 WeakPolarHBondContact CD2-ND1 3.48Å; Y1019-H1023 HydrophobicContact CE1-CB 4.17Å; Y1019-H1023 AromaticContact CE2-CE1 3.48Å; Y1019-H1023 VanDerWaalsContact CE2-CE1 3.48Å; Y1019-H1023 WeakPolarHBondContact CE2-CE1 3.2Å; Y1019-H1023 AromaticContact CE2-CG 3.93Å; Y1019-H1023 AromaticContact CE2-ND1 3.37Å; Y1019-H1023 WeakPolarHBondContact CE2-ND1 3.26Å; Y1019-H1023 AromaticContact CG-ND1 3.83Å; Y1019-H1023 AromaticContact CZ-CG 3.87Å; Y1019-H1023 AromaticContact CZ-ND1 3.75Å; Y1019-H1023 PolarHBondContact O-N 2.8Å; Y1019-H1023 PolarHBondContact O-ND1 3.03Å; G1020-H1023 CarbonylContact O-C 3.55Å; H1023-I1025 PolarHBondContact O-N 3.47Å
1024	L	93.7	Very high	80.7	Confident	41 Å²	41	53.6 Å²	53.6	22%	0.215	27%	0.273	C	S	.	.			trans	-68.9	94.7	-167.2	-171.8	69.1	0	0	0	113.8	R193 T350 A373 L374 C1026	R193-L1024 PolarHBondContact NH2-O 2.96Å; T350-L1024 HydrophobicContact CG2-CD2 3.69Å; A373-L1024 HydrophobicContact CB-CD1 3.79Å; L374-L1024 HydrophobicContact CD1-CD1 4.29Å; L374-L1024 HydrophobicContact CD1-CD2 3.69Å; L374-L1024 HydrophobicContact CG-CD1 4.08Å; L374-L1024 HydrophobicContact CG-CD2 4.32Å; L1024-C1026 VanDerWaalsContact CD1-SG 3.56Å
1025	I	94.3	Very high	77.6	Confident	32 Å²	32	57.1 Å²	57.1	16%	0.164	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-107.5	115.2	173.7	-68.6	167.6	0	0	0	109.3	F179 G359 L360 H1023 S1030	F179-I1025 HydrophobicContact CZ-CG2 4.19Å; G359-I1025 CarbonylContact C-O 3.56Å; G359-I1025 WeakPolarHBondContact CA-O 3.32Å; L360-I1025 HydrophobicContact CB-CB 4.09Å; L360-I1025 HydrophobicContact CB-CG2 3.91Å; L360-I1025 HydrophobicContact CD2-CG2 4.35Å; L360-I1025 PolarHBondContact N-O 3.45Å; H1023-I1025 PolarHBondContact O-N 3.47Å; I1025-S1030 WeakPolarHBondContact CG2-OG 3.46Å
1026	C	92.2	Very high	74.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.313	C	S	.	.			trans	-123	10.2	-174.9	-59.2	0	0	0	0	114.3	Q182 I357 L1024	Q182-C1026 PolarHBondContact NE2-O 2.74Å; Q182-C1026 VanDerWaalsContact NE2-O 3.08Å; I357-C1026 HydrophobicContact CG2-CB 4.16Å; L1024-C1026 VanDerWaalsContact CD1-SG 3.56Å
1027	T	85.8	Confident	71.3	Confident	11 Å²	11	63.3 Å²	63.3	7%	0.067	33%	0.328	C	S	.	.	S	Bend	trans	-144.3	151.9	-179	57	0	0	0	0	110.4	F179 T183 S186 S1029 S1030	F179-T1027 VanDerWaalsContact CZ-N 3.32Å; F179-T1027 WeakPolarHBondContact CZ-O 3.4Å; T183-T1027 WeakPolarHBondContact OG1-CA 3.14Å; S186-T1027 WeakPolarHBondContact OG-CG2 3.46Å; T1027-S1029 VanDerWaalsContact C-N 3.27Å; T1027-S1029 PolarHBondContact O-N 3.26Å; T1027-S1030 PolarHBondContact O-OG 3.14Å; T1027-S1030 VanDerWaalsContact O-OG 3.13Å
1028	C	73	Confident	68.3	Low	1 Å²	1	64.5 Å²	64.5	1%	0.007	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.3	178.2	-50.7	0	0	0	0	113.8	F179 T183 H532 S1030 L1031	F179-C1028 WeakPolarHBondContact CD1-SG 3.42Å; F179-C1028 HydrophobicContact CE1-CB 4.17Å; F179-C1028 VanDerWaalsContact CE1-N 3.35Å; F179-C1028 WeakPolarHBondContact CE1-SG 3.46Å; T183-C1028 HydrophobicContact CG2-CB 3.89Å; T183-C1028 PolarHBondContact OG1-N 3.03Å; T183-C1028 PolarHBondContact OG1-SG 3.3Å; H532-C1028 HydrophobicContact CB-CB 3.99Å; H532-C1028 WeakPolarHBondContact CD2-CB 3.4Å; C1028-S1030 VanDerWaalsContact C-N 3.34Å; C1028-S1030 PolarHBondContact O-N 3.3Å; C1028-L1031 WeakPolarHBondContact O-CB 3.47Å; C1028-L1031 PolarHBondContact O-N 2.9Å; C1028-L1031 VanDerWaalsContact O-N 3.1Å
1029	S	61.9	Low	65.2	Low	36 Å²	36	68.5 Å²	68.5	25%	0.252	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	-36.2	-173.5	-49.1	0	0	0	0	113.2	D187 T1027 L1031 L1032	D187-S1029 PolarHBondContact OD1-OG 3.4Å; T1027-S1029 VanDerWaalsContact C-N 3.27Å; T1027-S1029 PolarHBondContact O-N 3.26Å; S1029-L1031 PolarHBondContact O-N 3.37Å; S1029-L1032 PolarHBondContact O-N 2.73Å
1030	S	59.8	Low	61.8	Low	22 Å²	22	74 Å²	74	15%	0.154	39%	0.385	C	S	.	.	H	α-helix	trans	-69.2	-15.2	177.4	54.1	0	0	0	0	114.1	I1025 T1027 C1028 N1034	I1025-S1030 WeakPolarHBondContact CG2-OG 3.46Å; T1027-S1030 PolarHBondContact O-OG 3.14Å; T1027-S1030 VanDerWaalsContact O-OG 3.13Å; C1028-S1030 VanDerWaalsContact C-N 3.34Å; C1028-S1030 PolarHBondContact O-N 3.3Å; S1030-N1034 PolarHBondContact O-N 2.84Å
1031	L	57.7	Low	60.2	Low	49 Å²	49	77.7 Å²	77.7	26%	0.257	40%	0.404	S	S	.	.	H	α-helix	trans	-74.4	-32.5	176.6	-64.8	168.1	0	0	0	111.7	L360 C1028 S1029 N1034 E1035	L360-L1031 HydrophobicContact CD2-CD1 4.24Å; L360-L1031 HydrophobicContact CD2-CD2 3.24Å; L360-L1031 HydrophobicContact CD2-CG 4.25Å; C1028-L1031 WeakPolarHBondContact O-CB 3.47Å; C1028-L1031 PolarHBondContact O-N 2.9Å; C1028-L1031 VanDerWaalsContact O-N 3.1Å; S1029-L1031 PolarHBondContact O-N 3.37Å; L1031-N1034 PolarHBondContact O-N 3.35Å; L1031-E1035 PolarHBondContact O-N 3.38Å
1032	L	47.1	Very low	58.4	Low	73 Å²	73	79 Å²	79	38%	0.382	41%	0.411	S	S	.	.	H	α-helix	trans	-72.8	-34.2	178.5	-66.1	170.6	0	0	0	112	S1029 N1034 T1036	S1029-L1032 PolarHBondContact O-N 2.73Å; L1032-N1034 VanDerWaalsContact C-N 3.34Å; L1032-T1036 PolarHBondContact O-N 2.67Å; L1032-T1036 PolarHBondContact O-OG1 3.39Å
1033	E	36.5	Very low	56.4	Low	133 Å²	133	75.6 Å²	75.6	62%	0.621	40%	0.397	S	S	*	.	H	α-helix	trans	-67.3	-33.2	175.5	-69.5	-178.7	169.5	0	0	112.2	T1036 N1037	E1033-T1036 WeakPolarHBondContact CA-OG1 3.39Å; E1033-T1036 PolarHBondContact O-OG1 3Å; E1033-T1036 VanDerWaalsContact O-OG1 3.14Å; E1033-N1037 PolarHBondContact O-N 2.92Å
1034	N	37.5	Very low	54.2	Low	92 Å²	92	74.9 Å²	74.9	49%	0.492	40%	0.397	S	S	.	.	H	α-helix	trans	-77.6	-34.1	177.6	-76.1	-21.7	0	0	0	113.2	S1030 L1031 L1032 T1036 N1037 S1038	S1030-N1034 PolarHBondContact O-N 2.84Å; L1031-N1034 PolarHBondContact O-N 3.35Å; L1032-N1034 VanDerWaalsContact C-N 3.34Å; N1034-T1036 VanDerWaalsContact C-N 3.31Å; N1034-N1037 PolarHBondContact O-N 3.44Å; N1034-S1038 PolarHBondContact O-N 3.34Å
1035	E	33	Very low	51.7	Low	120 Å²	120	77.1 Å²	77.1	56%	0.561	41%	0.408	S	S	*	.	H	α-helix	trans	-71.1	-26	173.8	-76.3	-166.9	172.9	0	0	113.2	L1031 K1039	L1031-E1035 PolarHBondContact O-N 3.38Å; E1035-K1039 PolarHBondContact O-N 2.98Å
1036	T	31.2	Very low	48.9	Very low	85 Å²	85	80.1 Å²	80.1	52%	0.521	42%	0.424	S	S	.	.	H	α-helix	trans	-76.1	-34.5	173.1	26.5	0	0	0	0	111.9	L1032 E1033 N1034 K1039 L1040	L1032-T1036 PolarHBondContact O-N 2.67Å; L1032-T1036 PolarHBondContact O-OG1 3.39Å; E1033-T1036 WeakPolarHBondContact CA-OG1 3.39Å; E1033-T1036 PolarHBondContact O-OG1 3Å; E1033-T1036 VanDerWaalsContact O-OG1 3.14Å; N1034-T1036 VanDerWaalsContact C-N 3.31Å; T1036-K1039 PolarHBondContact O-N 3.22Å; T1036-L1040 PolarHBondContact O-N 3.41Å
1037	N	31.2	Very low	45.8	Very low	116 Å²	116	85.8 Å²	85.8	62%	0.62	46%	0.455	S	S	*	.	H	α-helix	trans	-77.7	-15.8	173.8	-77.8	-27.2	0	0	0	114.6	E1033 N1034	E1033-N1037 PolarHBondContact O-N 2.92Å; N1034-N1037 PolarHBondContact O-N 3.44Å
1038	S	30.4	Very low	42.7	Very low	92 Å²	92	91.5 Å²	91.5	64%	0.643	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-3.4	172.1	88.3	0	0	0	0	113.7	N1034	N1034-S1038 PolarHBondContact O-N 3.34Å
1039	K	29.4	Very low	40.2	Very low	175 Å²	175	99.1 Å²	99.1	76%	0.761	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-4.4	175.3	-79.4	-179.7	176.9	167.6	0	113.5	E1035 T1036	E1035-K1039 PolarHBondContact O-N 2.98Å; T1036-K1039 PolarHBondContact O-N 3.22Å
1040	L	26.6	Very low	38.2	Very low	196 Å²	196	104.8 Å²	104.8	100%	1.026	55%	0.549	S	S	*	.			trans	-96.1	0	160.1	-81.4	160.2	0	0	0	108.6	T1036	T1036-L1040 PolarHBondContact O-N 3.41Å

Retrieved 1,040 of 1,040 residues in 316.7 ms (Link to these results)

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