A0A096N4C5_PAPAN Loading...

Spliceosome associated factor 3, U4/U6 recycling protein

AlphaFold DB , UniProt , Accession A0A096N4C5, Species PAPAN (Papio anubis, Olive baboon), Gene SART3, Length 981 aa.

						>A0A096N4C5_PAPAN|A0A096N4C5|SART3
MATAAATSASEPEAESKAGPKADGEEDEVKAARTRRKVLSRAVAAATYKTVGPGWDQQEEGVSESDGDEYAMASSAESSPGEYEWEYDEEEEKNQLEIERLEEQLSINVYDYNCHVDLIRLLRLEGELTKVRMARQKMSEIFPLTEELWLEWLHDEISMAQDGLDREHVYDLFEKAVKDYICPNIWLEYGQYSVGGIGQKGGLEKVRSVFERALSSVGLHMTKGLALWEAYREFESAIVEAARPVAGFLSPFDREQTFDSQLEKVHSLFRRQLAIPLYDMEATFAEYEEWSEDPVPESVIQNYNKALQQLEKYKPYEEALLQAEAPRLSEYQAYIDFEMKIGDPARIQLIFERALVENCLVPDLWIRYSQYLDRQLKVKDLVLSVHNRAVRNCPWTVALWSRYLLAMERHGVDHQVISVTFEKALNAGFIQATDYVEIWQAYLDYLRRRVDFKQDSSKELEELRAAFTRALEYLKQEVEERFNESGDPSCVIMQNWARIEARLCNNMQKARELWDSIMTRGNAKYANMWLEYYNLERAHGDTQHCRKALHRAVQCTSDYPEHVCEVLLTMERTEGSLEDWDTAVQKTETRLARVNEQRMKAAEKEAALVQQEEEKAEQRKRARAEKKALKKKKKTRGPEKRGADEDNEKEWGDDEEEQPSKRRRVENSIPAAGETQNIEVAAGPAGKCATVDVEPPSKQKEKAASLKRDMPKVLHDSSKDSITVFVSNLPYSMQEPDVKLRPLFEACGEVVQIRPIFSNRGDFRGYCYVEFKEEKSALQALEMDRKSVEGRPMFVSPCVDKSKNPDFKVFRYSTSLEKHKLFISGLPFSCTKEELEEICKAHGTVKDLRLVTNRAGKPKGLAYVEYENESQASQAVMKMDGMTIKENVIKVAISNPPQRKVPEKPETRKAPGGPMLLPQTYGARGKGRTQLSLLPRALQRPSAAAPQAENGPAAAPAVAASAATEAPKMSNADFAKLFLRK
					

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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	30.4	Very low	32.7	Very low	245 Å²	245	128.5 Å²	128.5	100%	1.207	85%	0.846	S	S	*	*				0	102.2	0	-64.4	168.7	179.5	0	0	105.2
2	A	31.4	Very low	35	Very low	83 Å²	83	127.5 Å²	127.5	69%	0.686	84%	0.839	S	S	*	*				89.9	95.9	87.2	0	0	0	0	0	109.8
3	T	35.2	Very low	34.4	Very low	140 Å²	140	132.8 Å²	132.8	86%	0.859	85%	0.845	S	S	*	*				70.3	140.5	84.7	57.7	0	0	0	0	113.4
4	A	35.5	Very low	34.2	Very low	95 Å²	95	129.6 Å²	129.6	79%	0.785	84%	0.836	S	S	*	*			cis	-174.4	-179	1.3	0	0	0	0	0	109.2
5	A	38.4	Very low	33.9	Very low	96 Å²	96	131.2 Å²	131.2	79%	0.793	83%	0.828	S	S	*	*			cis	175.7	116.7	-42.4	0	0	0	0	0	109.6
6	A	32.7	Very low	33.6	Very low	97 Å²	97	130.5 Å²	130.5	80%	0.802	83%	0.829	S	S	*	*			trans	-167.7	163.8	178.7	0	0	0	0	0	113.5
7	T	32.7	Very low	33.6	Very low	135 Å²	135	132.9 Å²	132.9	83%	0.828	82%	0.824	S	S	*	*				-174.2	115.7	-74.5	32.6	0	0	0	0	113.1
8	S	30.8	Very low	33.5	Very low	114 Å²	114	131.6 Å²	131.6	80%	0.797	83%	0.828	S	S	*	*			trans	178.2	128.3	151.9	54.3	0	0	0	0	108.3
9	A	33.1	Very low	33.2	Very low	99 Å²	99	128.4 Å²	128.4	82%	0.818	82%	0.823	S	S	*	*			cis	67.4	133.5	43.7	0	0	0	0	0	112.9
10	S	28.7	Very low	34.5	Very low	122 Å²	122	127.8 Å²	127.8	85%	0.853	82%	0.82	S	S	*	*			cis	-147	179.3	14.6	57.5	0	0	0	0	114.6
11	E	30.8	Very low	34.4	Very low	187 Å²	187	131.2 Å²	131.2	87%	0.874	82%	0.822	S	S	*	*			trans	-91.6	179.7	-177.1	-94.9	-174.7	151.3	0	0	114.6
12	P	59.8	Low	34.5	Very low	117 Å²	117	123.2 Å²	123.2	76%	0.76	80%	0.795	S	S	*	*			trans	-110.7	166.4	-154.7	41.8	-36.4	0	0	0	118.2
13	E	27.7	Very low	34.5	Very low	197 Å²	197	127 Å²	127	92%	0.921	80%	0.804	S	S	*	*			trans	-147.4	-176.7	169.1	-71.2	-168.1	106.7	0	0	110.8
14	A	31.4	Very low	34.2	Very low	88 Å²	88	123.5 Å²	123.5	73%	0.727	80%	0.795	S	S	*	*				-169.2	139.5	-80.7	0	0	0	0	0	111.2
15	E	29.8	Very low	34	Very low	153 Å²	153	127.4 Å²	127.4	72%	0.715	80%	0.797	S	S	*	*			trans	61.1	147.9	174.5	-68.8	-149.2	168.5	0	0	117.4	K17	E15-K17 IonicContact OE1-NZ 3.41Å; E15-K17 IonicContact OE2-NZ 3.56Å; E15-K17 PolarHBondContact OE2-NZ 2.89Å
16	S	29.6	Very low	33.6	Very low	120 Å²	120	131.4 Å²	131.4	84%	0.839	80%	0.8	S	S	*	*				-174.4	175.1	72.8	46.8	0	0	0	0	115.4
17	K	33.8	Very low	33.5	Very low	172 Å²	172	134.6 Å²	134.6	75%	0.748	80%	0.803	S	S	*	*			trans	-90.1	157	-154.5	-60.7	137.8	174.4	126.5	0	116.3	E15	E15-K17 IonicContact OE1-NZ 3.41Å; E15-K17 IonicContact OE2-NZ 3.56Å; E15-K17 PolarHBondContact OE2-NZ 2.89Å
18	A	31.4	Very low	33.5	Very low	108 Å²	108	134.4 Å²	134.4	89%	0.893	79%	0.793	S	S	*	*			trans	-159.2	157.8	142	0	0	0	0	0	113.1
19	G	28.6	Very low	33.4	Very low	71 Å²	71	135.8 Å²	135.8	73%	0.732	80%	0.796	S	S	*	*			trans	-155.1	-157.9	170.5	0	0	0	0	0	108.8
20	P	58.9	Low	33.2	Very low	117 Å²	117	138.8 Å²	138.8	76%	0.76	79%	0.791	S	S	*	*			cis	-141.7	-169.2	3.3	43.6	-25.1	0	0	0	115.6
21	K	32.8	Very low	33.3	Very low	200 Å²	200	137.6 Å²	137.6	87%	0.87	79%	0.789	S	S	*	*			trans	73	144.9	162.5	-69.2	-176.9	175.2	-168.1	0	118.4
22	A	31.9	Very low	33.1	Very low	77 Å²	77	132.8 Å²	132.8	64%	0.636	78%	0.781	S	S	*	*			cis	-170.3	-166.5	-18.9	0	0	0	0	0	108.3
23	D	30.2	Very low	31.5	Very low	162 Å²	162	138.6 Å²	138.6	87%	0.866	79%	0.787	S	S	*	*			cis	-159.8	160.6	1.1	-107.9	-38.5	0	0	0	108.2
24	G	29.6	Very low	31.6	Very low	66 Å²	66	133.7 Å²	133.7	68%	0.68	77%	0.771	S	S	*	*			trans	86.8	111.4	172	0	0	0	0	0	116.4
25	E	31	Very low	31.3	Very low	178 Å²	178	139.8 Å²	139.8	83%	0.832	78%	0.775	S	S	*	*				72.1	93.2	72.3	-71	-177.2	163	0	0	114
26	E	31.3	Very low	31.1	Very low	180 Å²	180	143 Å²	143	84%	0.841	78%	0.781	S	S	*	*				99.1	136.7	106.6	-77	-172.8	171.2	0	0	111.2
27	D	29.1	Very low	31	Very low	164 Å²	164	146.4 Å²	146.4	88%	0.877	78%	0.78	S	S	*	*				-153.3	167.4	71.9	-153	-17.7	0	0	0	113.6
28	E	32.3	Very low	30.6	Very low	130 Å²	130	143.7 Å²	143.7	61%	0.607	78%	0.778	S	S	*	*			trans	-104.3	132.2	-173.1	-176.7	-175.4	-156.2	0	0	114	K30	E28-K30 IonicContact OE1-NZ 2.7Å; E28-K30 PolarHBondContact OE1-NZ 3.02Å
29	V	29.8	Very low	30.4	Very low	143 Å²	143	147 Å²	147	87%	0.867	78%	0.78	S	S	*	*			trans	-135.7	119.2	160	-174.7	0	0	0	0	112.5
30	K	29.8	Very low	30.3	Very low	162 Å²	162	147.9 Å²	147.9	70%	0.704	78%	0.775	S	S	*	*			trans	-106.7	148.9	164	-73.4	-173.5	-178.7	89.1	0	110.9	E28	E28-K30 IonicContact OE1-NZ 2.7Å; E28-K30 PolarHBondContact OE1-NZ 3.02Å
31	A	29.2	Very low	28.8	Very low	98 Å²	98	153.4 Å²	153.4	81%	0.81	78%	0.78	S	S	*	*			trans	67	160.6	153.8	0	0	0	0	0	118.5
32	A	27.7	Very low	28.4	Very low	86 Å²	86	148 Å²	148	71%	0.711	77%	0.773	S	S	*	*			cis	-167.5	155.4	-35.4	0	0	0	0	0	110.5
33	R	26.7	Very low	28.1	Very low	238 Å²	238	151.1 Å²	151.1	90%	0.898	78%	0.784	S	S	*	*			trans	70.4	135.8	143.3	-144.4	-169.8	-162.5	172.8	4.5	118.6
34	T	28	Very low	28	Very low	94 Å²	94	147.5 Å²	147.5	58%	0.577	78%	0.776	S	S	*	*				123.8	102.1	128.6	-46.8	0	0	0	0	118
35	R	26.7	Very low	27.9	Very low	216 Å²	216	149.3 Å²	149.3	82%	0.815	79%	0.785	S	S	*	*			trans	68.7	136.1	146.7	-66.4	172	-174.6	168	-0	118.1
36	R	25.3	Very low	27.8	Very low	221 Å²	221	145.8 Å²	145.8	83%	0.834	79%	0.787	S	S	*	*			cis	93.4	97.3	34.9	-178.1	-149.9	-155.8	-175.3	11.1	113.5
37	K	27.3	Very low	27.6	Very low	191 Å²	191	142.8 Å²	142.8	83%	0.83	78%	0.781	S	S	*	*			trans	-179.4	129.4	138	-102.2	-179.9	177.9	-170.5	0	109.8
38	V	25.3	Very low	27.5	Very low	116 Å²	116	144.7 Å²	144.7	70%	0.703	78%	0.777	S	S	*	*				65.1	120.8	90.7	176.8	0	0	0	0	114.3
39	L	27.2	Very low	27.3	Very low	177 Å²	177	146.5 Å²	146.5	93%	0.927	78%	0.783	S	S	*	*			trans	-131.6	151	148.1	-102.5	170.1	0	0	0	109.3
40	S	25.4	Very low	27.2	Very low	89 Å²	89	145.2 Å²	145.2	62%	0.622	78%	0.775	S	S	*	*			trans	-164.5	154.9	-171.1	58.4	0	0	0	0	111.8
41	R	27.6	Very low	27	Very low	233 Å²	233	144.1 Å²	144.1	88%	0.879	78%	0.782	S	S	*	*			trans	66.2	141.4	-172.6	-65.3	175.4	152.2	166.7	-8.4	113.7
42	A	25	Very low	26.8	Very low	86 Å²	86	142.6 Å²	142.6	71%	0.711	78%	0.776	S	S	*	*			cis	85.8	153.9	26.4	0	0	0	0	0	115.7
43	V	26.3	Very low	27.4	Very low	143 Å²	143	144.1 Å²	144.1	87%	0.867	78%	0.778	S	S	*	*			trans	80.4	142	-177.2	-170.8	0	0	0	0	114.5
44	A	27.4	Very low	27.5	Very low	86 Å²	86	135.9 Å²	135.9	71%	0.711	77%	0.768	S	S	*	*			cis	-169.5	159.5	-36.8	0	0	0	0	0	110.2
45	A	28.4	Very low	27.5	Very low	105 Å²	105	142.3 Å²	142.3	87%	0.868	78%	0.781	S	S	*	*			trans	10.5	134.8	156	0	0	0	0	0	122.4
46	A	27.1	Very low	27.6	Very low	104 Å²	104	138.1 Å²	138.1	86%	0.86	78%	0.776	S	S	*	*				-157.7	144.1	123.8	0	0	0	0	0	112.2
47	T	28.6	Very low	27.7	Very low	117 Å²	117	135.3 Å²	135.3	72%	0.718	77%	0.772	S	S	*	*			trans	-85.6	152.4	170.9	43	0	0	0	0	111.7
48	Y	27	Very low	27.7	Very low	203 Å²	203	134.3 Å²	134.3	80%	0.796	77%	0.77	S	S	*	*				178.8	126.8	111.4	-104.4	-68	0	0	0	115.6
49	K	28.3	Very low	27.8	Very low	168 Å²	168	137.7 Å²	137.7	73%	0.73	78%	0.778	S	S	*	*			trans	64	125	138.6	-99.4	-179.2	-177.9	-175.2	0	123.8
50	T	26.6	Very low	27.9	Very low	116 Å²	116	139 Å²	139	71%	0.712	78%	0.78	S	S	*	*			trans	78.7	119.8	132.4	44.4	0	0	0	0	123.6
51	V	26.4	Very low	28	Very low	140 Å²	140	138.3 Å²	138.3	85%	0.848	79%	0.787	S	S	*	*			trans	79.2	133.1	137.6	176.9	0	0	0	0	117.5
52	G	25.1	Very low	28.1	Very low	65 Å²	65	134.4 Å²	134.4	67%	0.67	79%	0.788	S	S	*	*			trans	-83.5	-145.2	172.5	0	0	0	0	0	112.8
53	P	40	Very low	28.3	Very low	118 Å²	118	135.4 Å²	135.4	77%	0.766	79%	0.79	S	S	*	*			cis	-119.7	-178.2	28.6	41.4	-30.4	0	0	0	114.1
54	G	29.1	Very low	28.6	Very low	66 Å²	66	137.3 Å²	137.3	68%	0.68	79%	0.789	S	S	*	*			trans	-100.4	156.9	162.9	0	0	0	0	0	112.1
55	W	27.2	Very low	28.8	Very low	228 Å²	228	137.8 Å²	137.8	86%	0.864	79%	0.788	S	S	*	*			trans	-157.6	156.8	164.1	-74.4	86.4	0	0	0	105.1
56	D	28.8	Very low	29	Very low	129 Å²	129	140.3 Å²	140.3	69%	0.69	79%	0.787	S	S	*	*			cis	170.6	176.9	-28.2	-132.1	-28.6	0	0	0	105.4
57	Q	28.1	Very low	29.1	Very low	161 Å²	161	138.7 Å²	138.7	75%	0.752	78%	0.78	S	S	*	*			trans	88	142	176.8	-52.9	175.8	35.5	0	0	115.2
58	Q	26.3	Very low	29.3	Very low	170 Å²	170	140.7 Å²	140.7	79%	0.794	79%	0.786	S	S	*	*			cis	-146.9	147.3	16	-146.5	157.3	44.4	0	0	113.1
59	E	27.6	Very low	29.5	Very low	187 Å²	187	138.4 Å²	138.4	87%	0.874	78%	0.783	S	S	*	*			trans	-104.6	148.6	167.2	-67	-175.3	131.8	0	0	111
60	E	28.9	Very low	29.7	Very low	205 Å²	205	140.2 Å²	140.2	96%	0.958	79%	0.787	S	S	*	*			trans	-145.9	141.8	141.2	-73.7	-165.1	157.9	0	0	107.3
61	G	28.5	Very low	29.8	Very low	75 Å²	75	139.7 Å²	139.7	77%	0.773	79%	0.794	S	S	*	*			cis	-168.3	167.9	-3.9	0	0	0	0	0	111.3
62	V	30.6	Very low	30.1	Very low	151 Å²	151	141.8 Å²	141.8	92%	0.915	80%	0.797	S	S	*	*			trans	-119.4	153.1	-171.2	175.8	0	0	0	0	111.1
63	S	29	Very low	30.5	Very low	106 Å²	106	142.9 Å²	142.9	74%	0.741	80%	0.799	S	S	*	*			trans	-127.2	105.3	168.7	62.6	0	0	0	0	112.5
64	E	32.1	Very low	30.1	Very low	183 Å²	183	142.5 Å²	142.5	86%	0.855	80%	0.799	S	S	*	*			trans	34.9	120	143.9	-63	176.3	149.1	0	0	119.4
65	S	31.3	Very low	30.2	Very low	97 Å²	97	144.2 Å²	144.2	68%	0.678	80%	0.801	S	S	*	*				74	132.6	64.9	176.8	0	0	0	0	112.8
66	D	33.2	Very low	30.5	Very low	158 Å²	158	137.8 Å²	137.8	85%	0.845	80%	0.796	S	S	*	*			cis	-159.7	171.1	-10.1	-103.5	-51.9	0	0	0	109
67	G	29.3	Very low	30.7	Very low	70 Å²	70	140.4 Å²	140.4	72%	0.722	81%	0.805	S	S	*	*			trans	176.6	73.8	175.9	0	0	0	0	0	120.2
68	D	31.1	Very low	31.1	Very low	159 Å²	159	137.6 Å²	137.6	85%	0.85	80%	0.803	S	S	*	*			trans	34.2	109.9	148.9	-59.7	-11.6	0	0	0	123.3
69	E	32.2	Very low	31.9	Very low	155 Å²	155	135 Å²	135	72%	0.724	80%	0.804	S	S	*	*				44.1	134.3	129.6	-77.3	-160	150.7	0	0	125.7
70	Y	32.2	Very low	32.7	Very low	205 Å²	205	132.1 Å²	132.1	80%	0.804	80%	0.801	S	S	*	*			trans	60.9	99.6	151.4	-65.2	-59.2	0	0	0	122.2
71	A	29.7	Very low	33.4	Very low	105 Å²	105	125.4 Å²	125.4	87%	0.868	79%	0.787	S	S	*	*			trans	-139.9	146.9	137.4	0	0	0	0	0	110.9
72	M	32.8	Very low	34.1	Very low	185 Å²	185	130.3 Å²	130.3	91%	0.911	79%	0.79	S	S	*	*			trans	-88.8	136.4	-178	-103.9	-80	-167.9	0	0	112.4
73	A	31.7	Very low	34.9	Very low	87 Å²	87	134.3 Å²	134.3	72%	0.719	79%	0.79	S	S	*	*			trans	25.5	124.7	152.5	0	0	0	0	0	120.5
74	S	32	Very low	35.8	Very low	110 Å²	110	137.2 Å²	137.2	77%	0.769	79%	0.792	S	S	*	*				170.2	156	96.2	-165.3	0	0	0	0	113.3
75	S	31.1	Very low	36.4	Very low	102 Å²	102	138 Å²	138	71%	0.713	79%	0.787	S	S	*	*			trans	68.9	88	151.8	-54.1	0	0	0	0	120.7
76	A	35	Very low	37.3	Very low	93 Å²	93	142.2 Å²	142.2	77%	0.769	80%	0.796	S	S	*	*				73.2	155.6	115.8	0	0	0	0	0	122.5
77	E	32.1	Very low	38.1	Very low	184 Å²	184	143.2 Å²	143.2	86%	0.86	79%	0.79	S	S	*	*			trans	71.5	137.5	170.4	-56.5	-175.7	-160	0	0	117.4
78	S	37.3	Very low	39.6	Very low	103 Å²	103	145 Å²	145	72%	0.72	78%	0.783	S	S	*	*			cis	-170	160.4	-14.1	-100.4	0	0	0	0	110.5
79	S	42.1	Very low	41.6	Very low	116 Å²	116	145.3 Å²	145.3	81%	0.811	78%	0.779	S	S	*	*			trans	68.3	164.2	168.6	-92.3	0	0	0	0	117.9
80	P	43.7	Very low	43.6	Very low	125 Å²	125	143.9 Å²	143.9	81%	0.812	77%	0.772	S	S	*	*	P	Polyproline II helix	cis	-95.3	161.7	-1.8	37.4	-31.4	0	0	0	113.6
81	G	45	Very low	45.7	Very low	65 Å²	65	139.8 Å²	139.8	67%	0.67	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-89.3	145.3	-176.1	0	0	0	0	0	114.3
82	E	42.7	Very low	48.3	Very low	178 Å²	178	141.5 Å²	141.5	83%	0.832	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-72.1	125.9	170	-67.7	153.9	175.3	0	0	110.1
83	Y	48.1	Very low	50.9	Low	234 Å²	234	138.6 Å²	138.6	92%	0.918	73%	0.733	S	S	*	*			trans	-127	80.4	160.1	-83	-85.2	0	0	0	105.8
84	E	47.6	Very low	53.5	Low	168 Å²	168	136 Å²	136	79%	0.785	71%	0.707	S	S	*	*			trans	-120.6	143.6	-174.8	-149.8	152.5	-133	0	0	110.4
85	W	43.8	Very low	56.3	Low	198 Å²	198	133.7 Å²	133.7	75%	0.75	68%	0.684	S	S	*	*			trans	-65.2	129.7	-150.4	-48	78.1	0	0	0	115
86	E	50.7	Low	59.2	Low	186 Å²	186	133.8 Å²	133.8	87%	0.869	68%	0.676	S	S	*	*	S	Bend	trans	-98.4	9.3	172.4	-158.2	174.8	-149.6	0	0	112.1
87	Y	50.9	Low	61.9	Low	180 Å²	180	132.8 Å²	132.8	71%	0.706	66%	0.655	S	S	*	*	S	Bend	trans	-92.1	-35.6	-173.7	-81.3	-91.6	0	0	0	114.1	E89 E90	Y87-E89 VanDerWaalsContact C-N 3.31Å; Y87-E89 PolarHBondContact O-N 3.34Å; Y87-E90 PolarHBondContact O-N 3.47Å
88	D	61	Low	64.8	Low	108 Å²	108	124.2 Å²	124.2	58%	0.578	62%	0.615	S	S	*	*	H	α-helix	trans	-67.4	-27.7	-168.4	-60.5	-1.9	0	0	0	113.3	E90 E92	D88-E90 PolarHBondContact O-N 3Å; D88-E92 PolarHBondContact O-N 3.28Å; D88-E92 VanDerWaalsContact O-N 3.13Å
89	E	71.3	Confident	67.5	Low	165 Å²	165	124.2 Å²	124.2	77%	0.771	60%	0.604	S	S	*	*	H	α-helix	trans	-69.1	-28.9	-177.5	-69.6	-163.8	178.3	0	0	114.3	Y87 K93	Y87-E89 VanDerWaalsContact C-N 3.31Å; Y87-E89 PolarHBondContact O-N 3.34Å; E89-K93 WeakPolarHBondContact O-CB 3.42Å; E89-K93 PolarHBondContact O-N 3.4Å
90	E	75.1	Confident	70.1	Confident	125 Å²	125	123.6 Å²	123.6	58%	0.584	58%	0.584	S	S	*	*	H	α-helix	trans	-81.7	-36.4	177.2	-70.4	-142.9	119	0	0	112.3	Y87 D88 K93 N94	Y87-E90 PolarHBondContact O-N 3.47Å; D88-E90 PolarHBondContact O-N 3Å; E90-K93 PolarHBondContact O-N 2.8Å; E90-K93 IonicContact OE1-NZ 2.68Å; E90-N94 WeakPolarHBondContact O-CB 3.48Å; E90-N94 PolarHBondContact O-N 3.05Å
91	E	77	Confident	72.4	Confident	119 Å²	119	117.9 Å²	117.9	56%	0.556	55%	0.546	S	S	*	.	H	α-helix	trans	-66.7	-46.2	176.2	-64.9	-171.8	-176.5	0	0	111.3	K93 N94 Q95	E91-K93 VanDerWaalsContact C-N 3.31Å; E91-K93 PolarHBondContact O-N 2.87Å; E91-N94 PolarHBondContact O-N 2.68Å; E91-Q95 WeakPolarHBondContact O-CB 3.24Å; E91-Q95 PolarHBondContact O-N 3.48Å
92	E	83	Confident	74.7	Confident	140 Å²	140	118.8 Å²	118.8	65%	0.654	53%	0.533	S	S	*	.	H	α-helix	trans	-59.8	-42.6	176.4	-175.1	175.6	-144.3	0	0	111.5	D88 Q95 L96	D88-E92 PolarHBondContact O-N 3.28Å; D88-E92 VanDerWaalsContact O-N 3.13Å; E92-Q95 PolarHBondContact O-N 3.48Å; E92-L96 HydrophobicContact CG-CD1 4.27Å; E92-L96 VanDerWaalsContact O-CG 3.32Å; E92-L96 WeakPolarHBondContact O-CG 3.38Å; E92-L96 PolarHBondContact O-N 2.85Å
93	K	87.3	Confident	77.1	Confident	124 Å²	124	116.3 Å²	116.3	54%	0.539	52%	0.522	S	S	.	.	H	α-helix	trans	-66.3	-38.4	178	174.7	-177.1	160.4	-152.5	0	113	E89 E90 E91 E97	E89-K93 WeakPolarHBondContact O-CB 3.42Å; E89-K93 PolarHBondContact O-N 3.4Å; E90-K93 PolarHBondContact O-N 2.8Å; E90-K93 IonicContact OE1-NZ 2.68Å; E91-K93 VanDerWaalsContact C-N 3.31Å; E91-K93 PolarHBondContact O-N 2.87Å; K93-E97 PolarHBondContact O-N 3.19Å; K93-E97 VanDerWaalsContact O-N 3.16Å
94	N	88	Confident	79.2	Confident	32 Å²	32	108.1 Å²	108.1	17%	0.171	49%	0.491	C	S	.	.	H	α-helix	trans	-68.5	-42	175.1	-72.3	-12.3	0	0	0	111.1	E90 E91 L96 E97 I98 L121 E125	E90-N94 WeakPolarHBondContact O-CB 3.48Å; E90-N94 PolarHBondContact O-N 3.05Å; E91-N94 PolarHBondContact O-N 2.68Å; N94-L96 PolarHBondContact O-N 3.37Å; N94-E97 PolarHBondContact O-N 2.74Å; N94-I98 VanDerWaalsContact O-CG1 3.29Å; N94-I98 WeakPolarHBondContact O-CG1 3.45Å; N94-I98 PolarHBondContact O-N 2.78Å; N94-L121 HydrophobicContact CB-CD2 4.15Å; N94-E125 HydrophobicContact CB-CG 4.37Å; N94-E125 VanDerWaalsContact CB-OE1 3.25Å; N94-E125 WeakPolarHBondContact CB-OE1 3.46Å; N94-E125 PolarHBondContact ND2-OE1 3.44Å
95	Q	90	Very high	81.2	Confident	63 Å²	63	100.9 Å²	100.9	29%	0.294	46%	0.458	S	S	.	.	H	α-helix	trans	-62.6	-38.8	175.5	177.3	54.4	34.7	0	0	112.2	E91 E92 I98 E99	E91-Q95 WeakPolarHBondContact O-CB 3.24Å; E91-Q95 PolarHBondContact O-N 3.48Å; E92-Q95 PolarHBondContact O-N 3.48Å; Q95-I98 WeakPolarHBondContact O-CB 3.48Å; Q95-I98 PolarHBondContact O-N 3.26Å; Q95-E99 PolarHBondContact NE2-OE1 3.1Å; Q95-E99 PolarHBondContact O-N 2.88Å
96	L	91	Very high	83.4	Confident	104 Å²	104	96.3 Å²	96.3	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-64.1	-39.9	173.4	-73.9	168.7	0	0	0	112.9	E92 N94 E99 R100	E92-L96 HydrophobicContact CG-CD1 4.27Å; E92-L96 VanDerWaalsContact O-CG 3.32Å; E92-L96 WeakPolarHBondContact O-CG 3.38Å; E92-L96 PolarHBondContact O-N 2.85Å; N94-L96 PolarHBondContact O-N 3.37Å; L96-E99 PolarHBondContact O-N 2.78Å; L96-R100 WeakPolarHBondContact O-CB 3.35Å; L96-R100 PolarHBondContact O-N 3.16Å
97	E	92.6	Very high	85.1	Confident	71 Å²	71	94 Å²	94	33%	0.332	45%	0.449	S	S	.	.	H	α-helix	trans	-70.4	-33.6	175.3	-179.1	61.5	-168.5	0	0	111.8	K93 N94 R100 L101 L121	K93-E97 PolarHBondContact O-N 3.19Å; K93-E97 VanDerWaalsContact O-N 3.16Å; N94-E97 PolarHBondContact O-N 2.74Å; E97-R100 VanDerWaalsContact CD-NE 3.33Å; E97-R100 PolarHBondContact O-N 3.26Å; E97-R100 IonicContact OE1-CZ 2.67Å; E97-R100 IonicContact OE1-NE 3.37Å; E97-R100 PolarHBondContact OE1-NE 3.19Å; E97-R100 IonicContact OE1-NH2 3.65Å; E97-R100 PolarHBondContact OE1-NH2 2.86Å; E97-R100 WeakPolarHBondContact OE2-CD 3.48Å; E97-R100 IonicContact OE2-CZ 3.82Å; E97-R100 IonicContact OE2-NE 3.76Å; E97-R100 PolarHBondContact OE2-NE 2.8Å; E97-R100 IonicContact OE2-NH2 3.35Å; E97-L101 HydrophobicContact CG-CD1 4.05Å; E97-L101 HydrophobicContact CG-CG 4.48Å; E97-L101 WeakPolarHBondContact O-CB 3.38Å; E97-L101 VanDerWaalsContact O-CG 3.23Å; E97-L101 WeakPolarHBondContact O-CG 3.43Å; E97-L101 PolarHBondContact O-N 3.23Å; E97-L121 HydrophobicContact CB-CD1 4.4Å; E97-L121 HydrophobicContact CG-CD1 3.73Å
98	I	93.6	Very high	86.4	Confident	4 Å²	4	88.8 Å²	88.8	2%	0.021	43%	0.433	C	S	.	.	H	α-helix	trans	-58.9	-50.4	171.1	-74.9	163.1	0	0	0	110.7	N94 Q95 R100 L101 E102 L118 L121 L122 E125	N94-I98 VanDerWaalsContact O-CG1 3.29Å; N94-I98 WeakPolarHBondContact O-CG1 3.45Å; N94-I98 PolarHBondContact O-N 2.78Å; Q95-I98 WeakPolarHBondContact O-CB 3.48Å; Q95-I98 PolarHBondContact O-N 3.26Å; I98-R100 VanDerWaalsContact C-N 3.31Å; I98-R100 PolarHBondContact O-N 2.99Å; I98-L101 PolarHBondContact O-N 3.46Å; I98-L101 VanDerWaalsContact O-N 3.17Å; I98-E102 PolarHBondContact O-N 3.37Å; I98-L118 HydrophobicContact CB-CD1 4.49Å; I98-L118 HydrophobicContact CG2-CD1 4.07Å; I98-L121 HydrophobicContact CD1-CB 4.08Å; I98-L121 HydrophobicContact CG1-CB 3.71Å; I98-L122 HydrophobicContact CB-CD1 4.19Å; I98-L122 HydrophobicContact CD1-CD1 3.75Å; I98-L122 HydrophobicContact CG1-CD1 3.61Å; I98-L122 HydrophobicContact CG2-CD1 3.55Å; I98-E125 HydrophobicContact CD1-CG 3.7Å
99	E	93.8	Very high	87.6	Confident	103 Å²	103	87 Å²	87	48%	0.481	43%	0.426	S	S	.	.	H	α-helix	trans	-61.6	-40.1	178.1	-72.7	176	-157.2	0	0	111.8	Q95 L96 L101 E102 E103	Q95-E99 PolarHBondContact NE2-OE1 3.1Å; Q95-E99 PolarHBondContact O-N 2.88Å; L96-E99 PolarHBondContact O-N 2.78Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.06Å; E99-E102 PolarHBondContact O-N 2.95Å; E99-E103 PolarHBondContact O-N 3.5Å
100	R	95.3	Very high	88	Confident	104 Å²	104	85.5 Å²	85.5	39%	0.392	41%	0.414	S	S	.	.	H	α-helix	trans	-62.3	-37.6	175	-161.1	-158	64.3	64.4	-0.5	112.7	L96 E97 I98 Q104	L96-R100 WeakPolarHBondContact O-CB 3.35Å; L96-R100 PolarHBondContact O-N 3.16Å; E97-R100 VanDerWaalsContact CD-NE 3.33Å; E97-R100 PolarHBondContact O-N 3.26Å; E97-R100 IonicContact OE1-CZ 2.67Å; E97-R100 IonicContact OE1-NE 3.37Å; E97-R100 PolarHBondContact OE1-NE 3.19Å; E97-R100 IonicContact OE1-NH2 3.65Å; E97-R100 PolarHBondContact OE1-NH2 2.86Å; E97-R100 WeakPolarHBondContact OE2-CD 3.48Å; E97-R100 IonicContact OE2-CZ 3.82Å; E97-R100 IonicContact OE2-NE 3.76Å; E97-R100 PolarHBondContact OE2-NE 2.8Å; E97-R100 IonicContact OE2-NH2 3.35Å; I98-R100 VanDerWaalsContact C-N 3.31Å; I98-R100 PolarHBondContact O-N 2.99Å; R100-Q104 WeakPolarHBondContact O-CB 3.44Å; R100-Q104 PolarHBondContact O-N 3.26Å
101	L	93.3	Very high	88.3	Confident	4 Å²	4	81.5 Å²	81.5	2%	0.021	40%	0.396	C	S	.	.	H	α-helix	trans	-75.5	-36	176.8	-70.7	166.4	0	0	0	111.9	E97 I98 E99 Q104 L105 C114 D117 L118 L121	E97-L101 HydrophobicContact CG-CD1 4.05Å; E97-L101 HydrophobicContact CG-CG 4.48Å; E97-L101 WeakPolarHBondContact O-CB 3.38Å; E97-L101 VanDerWaalsContact O-CG 3.23Å; E97-L101 WeakPolarHBondContact O-CG 3.43Å; E97-L101 PolarHBondContact O-N 3.23Å; I98-L101 PolarHBondContact O-N 3.46Å; I98-L101 VanDerWaalsContact O-N 3.17Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.06Å; L101-Q104 PolarHBondContact O-N 3.49Å; L101-L105 WeakPolarHBondContact O-CG 3.45Å; L101-L105 PolarHBondContact O-N 3.19Å; L101-C114 HydrophobicContact CD2-CB 4.47Å; L101-C114 WeakPolarHBondContact CD2-SG 3.2Å; L101-C114 PolarHBondContact O-SG 3.4Å; L101-D117 HydrophobicContact CD1-CB 4.47Å; L101-L118 HydrophobicContact CB-CB 4.21Å; L101-L118 HydrophobicContact CB-CD1 3.9Å; L101-L118 HydrophobicContact CD1-CB 4.34Å; L101-L121 HydrophobicContact CD1-CD1 3.46Å; L101-L121 VanDerWaalsContact CD1-CD1 3.46Å
102	E	93.3	Very high	88.7	Confident	84 Å²	84	79.5 Å²	79.5	39%	0.393	39%	0.385	S	S	.	.	H	α-helix	trans	-65.6	-38.9	172.1	-69.7	-151.9	129.4	0	0	111.9	I98 E99 L105 S106 L118	I98-E102 PolarHBondContact O-N 3.37Å; E99-E102 PolarHBondContact O-N 2.95Å; E102-L105 PolarHBondContact O-N 3.25Å; E102-S106 WeakPolarHBondContact O-CB 3.47Å; E102-S106 PolarHBondContact O-N 2.93Å; E102-L118 HydrophobicContact CG-CD1 3.9Å; E102-L118 HydrophobicContact CG-CD2 4.09Å
103	E	93.4	Very high	89	Confident	127 Å²	127	77.8 Å²	77.8	59%	0.593	38%	0.38	S	S	*	.	H	α-helix	trans	-63.7	-44.9	171	-172.9	178.1	-153.4	0	0	111.5	E99 L105 S106 I107	E99-E103 PolarHBondContact O-N 3.5Å; E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 2.93Å; E103-S106 VanDerWaalsContact O-CB 3.31Å; E103-S106 WeakPolarHBondContact O-CB 3.26Å; E103-S106 PolarHBondContact O-N 3.45Å; E103-S106 VanDerWaalsContact O-N 3.08Å; E103-I107 HydrophobicContact CG-CD1 4.13Å; E103-I107 WeakPolarHBondContact O-CG1 3.11Å; E103-I107 PolarHBondContact O-N 3.45Å
104	Q	91.3	Very high	89.2	Confident	61 Å²	61	72 Å²	72	29%	0.285	36%	0.355	S	S	.	.	H	α-helix	trans	-59.4	-40.1	177.1	179.9	171.6	-23.7	0	0	112.2	R100 L101 I107 N108 D111 C114	R100-Q104 WeakPolarHBondContact O-CB 3.44Å; R100-Q104 PolarHBondContact O-N 3.26Å; L101-Q104 PolarHBondContact O-N 3.49Å; Q104-I107 PolarHBondContact O-N 2.84Å; Q104-N108 PolarHBondContact O-N 3.36Å; Q104-D111 PolarHBondContact NE2-OD2 3.35Å; Q104-C114 VanDerWaalsContact CD-SG 3.6Å; Q104-C114 HydrophobicContact CG-CB 4.44Å
105	L	89.6	Confident	89.3	Confident	17 Å²	17	70.7 Å²	70.7	9%	0.089	35%	0.348	C	S	.	.	H	α-helix	trans	-73.2	-29	173.6	-70.6	-177.1	0	0	0	113.6	L101 E102 E103 I107 N108 V109 D111 C114 L118	L101-L105 WeakPolarHBondContact O-CG 3.45Å; L101-L105 PolarHBondContact O-N 3.19Å; E102-L105 PolarHBondContact O-N 3.25Å; E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 2.93Å; L105-I107 VanDerWaalsContact C-N 3.29Å; L105-N108 CarbonylContact O-C 3.57Å; L105-V109 WeakPolarHBondContact O-CA 3.41Å; L105-V109 PolarHBondContact O-N 3.31Å; L105-V109 VanDerWaalsContact O-N 3.07Å; L105-D111 HydrophobicContact CD2-CB 4.34Å; L105-C114 HydrophobicContact CD2-CB 3.74Å; L105-C114 HydrophobicContact CG-CB 4.26Å; L105-L118 HydrophobicContact CD1-CD2 3.63Å
106	S	90.4	Very high	89.4	Confident	102 Å²	102	69.2 Å²	69.2	71%	0.713	34%	0.343	S	S	*	.	H	α-helix	trans	-64.1	-36.9	172.2	-167.9	0	0	0	0	111.4	E102 E103	E102-S106 WeakPolarHBondContact O-CB 3.47Å; E102-S106 PolarHBondContact O-N 2.93Å; E103-S106 VanDerWaalsContact O-CB 3.31Å; E103-S106 WeakPolarHBondContact O-CB 3.26Å; E103-S106 PolarHBondContact O-N 3.45Å; E103-S106 VanDerWaalsContact O-N 3.08Å
107	I	86.5	Confident	89.5	Confident	137 Å²	137	67 Å²	67	70%	0.703	33%	0.332	S	S	*	.	H	α-helix	trans	-77.9	-42.9	174.8	-62.7	166	0	0	0	111.5	E103 Q104 L105	E103-I107 HydrophobicContact CG-CD1 4.13Å; E103-I107 WeakPolarHBondContact O-CG1 3.11Å; E103-I107 PolarHBondContact O-N 3.45Å; Q104-I107 PolarHBondContact O-N 2.84Å; L105-I107 VanDerWaalsContact C-N 3.29Å
108	N	78	Confident	89.6	Confident	71 Å²	71	63.9 Å²	63.9	38%	0.38	32%	0.317	S	S	.	.			trans	-139	89.6	-178.8	-179.9	25.8	0	0	0	112.4	Q104 L105 Y110 D111	Q104-N108 PolarHBondContact O-N 3.36Å; L105-N108 CarbonylContact O-C 3.57Å; N108-Y110 PolarHBondContact O-N 3.28Å; N108-Y110 PolarHBondContact OD1-N 2.98Å; N108-D111 PolarHBondContact O-N 2.91Å
109	V	85.1	Confident	89.6	Confident	70 Å²	70	64.4 Å²	64.4	42%	0.424	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-11.9	178.2	-141	0	0	0	0	113.5	L105 H115 I141	L105-V109 WeakPolarHBondContact O-CA 3.41Å; L105-V109 PolarHBondContact O-N 3.31Å; L105-V109 VanDerWaalsContact O-N 3.07Å; V109-H115 PolarHBondContact O-NE2 2.79Å; V109-I141 HydrophobicContact CB-CD1 4.22Å; V109-I141 HydrophobicContact CG1-CD1 3.57Å
110	Y	80.8	Confident	89.5	Confident	134 Å²	134	66.6 Å²	66.6	53%	0.525	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	13.4	180	-58.8	-72.3	0	0	0	114	N108 Y112 I141 F142	N108-Y110 PolarHBondContact O-N 3.28Å; N108-Y110 PolarHBondContact OD1-N 2.98Å; Y110-Y112 PolarHBondContact O-N 3.02Å; Y110-I141 HydrophobicContact CD1-CG2 3.74Å; Y110-I141 HydrophobicContact CE1-CG2 3.98Å; Y110-F142 WeakPolarHBondContact O-CZ 3.22Å
111	D	81.9	Confident	89.4	Confident	40 Å²	40	63 Å²	63	21%	0.214	31%	0.313	C	S	.	.			trans	-83.6	92.8	171.8	-168.3	-25.7	0	0	0	111.6	Q104 L105 N108 N113 C114 H115	Q104-D111 PolarHBondContact NE2-OD2 3.35Å; L105-D111 HydrophobicContact CD2-CB 4.34Å; N108-D111 PolarHBondContact O-N 2.91Å; D111-N113 VanDerWaalsContact C-N 3.31Å; D111-N113 PolarHBondContact O-N 3.42Å; D111-N113 PolarHBondContact OD1-N 2.69Å; D111-C114 HydrophobicContact CB-CB 3.67Å; D111-C114 WeakPolarHBondContact O-CB 3.48Å; D111-C114 PolarHBondContact O-N 3.39Å; D111-C114 PolarHBondContact OD1-N 3.16Å; D111-C114 VanDerWaalsContact OD1-N 3.08Å; D111-H115 PolarHBondContact O-CD2 2.95Å; D111-H115 VanDerWaalsContact O-CD2 3.24Å; D111-H115 PolarHBondContact O-N 3.13Å; D111-H115 VanDerWaalsContact O-N 3.15Å
112	Y	85.7	Confident	89.4	Confident	78 Å²	78	62.9 Å²	62.9	31%	0.306	31%	0.312	S	S	.	.	H	α-helix	trans	-54.8	-41.8	-179.3	178.6	-87.5	0	0	0	113.4	Y110 H115 V116 M138 F142 L148	Y110-Y112 PolarHBondContact O-N 3.02Å; Y112-H115 PolarHBondContact O-N 2.86Å; Y112-V116 HydrophobicContact CD1-CG2 4.19Å; Y112-V116 HydrophobicContact CE1-CG2 3.75Å; Y112-V116 WeakPolarHBondContact O-CG2 3.41Å; Y112-V116 PolarHBondContact O-N 3.29Å; Y112-V116 VanDerWaalsContact O-N 3.17Å; Y112-M138 HydrophobicContact CD2-CE 3.65Å; Y112-M138 HydrophobicContact CE1-CE 4.41Å; Y112-M138 HydrophobicContact CE2-CE 3.31Å; Y112-M138 HydrophobicContact CG-CE 4.34Å; Y112-F142 HydrophobicContact CD2-CB 4.19Å; Y112-F142 HydrophobicContact CD2-CD1 4.02Å; Y112-F142 HydrophobicContact CD2-CD2 4.11Å; Y112-F142 HydrophobicContact CD2-CE1 4.44Å; Y112-F142 AromaticContact CD2-CG 3.84Å; Y112-F142 HydrophobicContact CD2-CG 3.84Å; Y112-F142 HydrophobicContact CE2-CB 4.41Å; Y112-L148 WeakPolarHBondContact OH-CD1 3.48Å
113	N	88.4	Confident	89.3	Confident	104 Å²	104	63.3 Å²	63.3	56%	0.556	31%	0.31	S	S	*	.	H	α-helix	trans	-69.4	-41.5	-178.2	-68.2	-20	0	0	0	110.3	D111 H115 V116 D117	D111-N113 VanDerWaalsContact C-N 3.31Å; D111-N113 PolarHBondContact O-N 3.42Å; D111-N113 PolarHBondContact OD1-N 2.69Å; N113-H115 VanDerWaalsContact C-N 3.29Å; N113-H115 PolarHBondContact O-N 2.85Å; N113-V116 PolarHBondContact O-N 3.19Å; N113-D117 PolarHBondContact O-N 3.18Å
114	C	91.5	Very high	89.2	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.02	31%	0.312	C	S	.	.	H	α-helix	trans	-59	-37.5	175.9	-166.5	0	0	0	0	112.4	L101 Q104 L105 D111 L118	L101-C114 HydrophobicContact CD2-CB 4.47Å; L101-C114 WeakPolarHBondContact CD2-SG 3.2Å; L101-C114 PolarHBondContact O-SG 3.4Å; Q104-C114 VanDerWaalsContact CD-SG 3.6Å; Q104-C114 HydrophobicContact CG-CB 4.44Å; L105-C114 HydrophobicContact CD2-CB 3.74Å; L105-C114 HydrophobicContact CG-CB 4.26Å; D111-C114 HydrophobicContact CB-CB 3.67Å; D111-C114 WeakPolarHBondContact O-CB 3.48Å; D111-C114 PolarHBondContact O-N 3.39Å; D111-C114 PolarHBondContact OD1-N 3.16Å; D111-C114 VanDerWaalsContact OD1-N 3.08Å; C114-L118 WeakPolarHBondContact O-CB 3.37Å; C114-L118 PolarHBondContact O-N 3.38Å
115	H	91.1	Very high	89.1	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.019	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-46.6	170.4	-75.8	-87.5	0	0	0	112.2	V109 D111 Y112 N113 I119 M138 F142	V109-H115 PolarHBondContact O-NE2 2.79Å; D111-H115 PolarHBondContact O-CD2 2.95Å; D111-H115 VanDerWaalsContact O-CD2 3.24Å; D111-H115 PolarHBondContact O-N 3.13Å; D111-H115 VanDerWaalsContact O-N 3.15Å; Y112-H115 PolarHBondContact O-N 2.86Å; N113-H115 VanDerWaalsContact C-N 3.29Å; N113-H115 PolarHBondContact O-N 2.85Å; H115-I119 WeakPolarHBondContact O-CB 3.46Å; H115-I119 WeakPolarHBondContact O-CD1 3.38Å; H115-I119 WeakPolarHBondContact O-CG1 3.11Å; H115-I119 PolarHBondContact O-N 2.92Å; H115-M138 HydrophobicContact CB-CB 4.12Å; H115-M138 HydrophobicContact CB-CE 4.26Å; H115-M138 HydrophobicContact CB-CG 3.67Å; H115-M138 HydrophobicContact CB-SD 3.82Å; H115-F142 AromaticContact CD2-CE2 3.83Å
116	V	91.4	Very high	88.9	Confident	31 Å²	31	64.3 Å²	64.3	19%	0.188	33%	0.33	C	S	.	.	H	α-helix	trans	-63.6	-44	-178.6	172.4	0	0	0	0	111.8	Y112 N113 I119 R120 M138	Y112-V116 HydrophobicContact CD1-CG2 4.19Å; Y112-V116 HydrophobicContact CE1-CG2 3.75Å; Y112-V116 WeakPolarHBondContact O-CG2 3.41Å; Y112-V116 PolarHBondContact O-N 3.29Å; Y112-V116 VanDerWaalsContact O-N 3.17Å; N113-V116 PolarHBondContact O-N 3.19Å; V116-I119 PolarHBondContact O-N 3.29Å; V116-R120 PolarHBondContact O-N 2.82Å; V116-M138 HydrophobicContact CG2-CE 3.53Å; V116-M138 HydrophobicContact CG2-SD 4.34Å
117	D	92.6	Very high	88.8	Confident	58 Å²	58	62.8 Å²	62.8	31%	0.31	31%	0.311	S	S	.	.	H	α-helix	trans	-70.5	-39.9	-179.4	-66.4	-35	0	0	0	111.3	L101 N113 R120 L121	L101-D117 HydrophobicContact CD1-CB 4.47Å; N113-D117 PolarHBondContact O-N 3.18Å; D117-R120 WeakPolarHBondContact O-CB 3.15Å; D117-R120 PolarHBondContact O-N 3.1Å; D117-R120 IonicContact OD1-CZ 3.34Å; D117-R120 IonicContact OD1-NH1 3.89Å; D117-R120 PolarHBondContact OD1-NH1 2.99Å; D117-R120 IonicContact OD1-NH2 3.05Å; D117-R120 PolarHBondContact OD1-NH2 3.43Å; D117-L121 PolarHBondContact O-N 3.28Å
118	L	94.1	Very high	88.7	Confident	5 Å²	5	60.3 Å²	60.3	3%	0.026	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-47.5	171.6	-179.7	70.1	0	0	0	111.6	I98 L101 E102 L105 C114 R120 L121 L122	I98-L118 HydrophobicContact CB-CD1 4.49Å; I98-L118 HydrophobicContact CG2-CD1 4.07Å; L101-L118 HydrophobicContact CB-CB 4.21Å; L101-L118 HydrophobicContact CB-CD1 3.9Å; L101-L118 HydrophobicContact CD1-CB 4.34Å; E102-L118 HydrophobicContact CG-CD1 3.9Å; E102-L118 HydrophobicContact CG-CD2 4.09Å; L105-L118 HydrophobicContact CD1-CD2 3.63Å; C114-L118 WeakPolarHBondContact O-CB 3.37Å; C114-L118 PolarHBondContact O-N 3.38Å; L118-R120 PolarHBondContact O-N 3.37Å; L118-L121 PolarHBondContact O-N 3.42Å; L118-L122 HydrophobicContact CD1-CD1 3.55Å; L118-L122 HydrophobicContact CD1-CD2 4.4Å; L118-L122 HydrophobicContact CG-CD1 4.07Å; L118-L122 HydrophobicContact CG-CD2 4.15Å; L118-L122 WeakPolarHBondContact O-CB 3.25Å; L118-L122 WeakPolarHBondContact O-CD1 3.37Å; L118-L122 PolarHBondContact O-N 3.45Å
119	I	94	Very high	89.2	Confident	16 Å²	16	61.3 Å²	61.3	8%	0.082	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-33.5	178	-71.5	162	0	0	0	111.2	H115 V116 R123 A134 R135 M138	H115-I119 WeakPolarHBondContact O-CB 3.46Å; H115-I119 WeakPolarHBondContact O-CD1 3.38Å; H115-I119 WeakPolarHBondContact O-CG1 3.11Å; H115-I119 PolarHBondContact O-N 2.92Å; V116-I119 PolarHBondContact O-N 3.29Å; I119-R123 VanDerWaalsContact O-CB 3.3Å; I119-R123 WeakPolarHBondContact O-CB 3.43Å; I119-R123 PolarHBondContact O-N 3.06Å; I119-A134 HydrophobicContact CD1-CB 4.44Å; I119-A134 HydrophobicContact CG1-CB 3.7Å; I119-R135 HydrophobicContact CD1-CB 4.46Å; I119-R135 HydrophobicContact CD1-CG 3.82Å; I119-R135 HydrophobicContact CG1-CG 4.06Å; I119-R135 HydrophobicContact CG2-CG 3.77Å; I119-M138 HydrophobicContact CD1-CB 4.05Å; I119-M138 HydrophobicContact CD1-CG 4.42Å; I119-M138 HydrophobicContact CD1-SD 3.6Å; I119-M138 VanDerWaalsContact CD1-SD 3.6Å
120	R	92.9	Very high	89.5	Confident	148 Å²	148	61.2 Å²	61.2	56%	0.558	30%	0.302	S	S	*	.	H	α-helix	trans	-67.8	-46.5	175.3	-164	-171.1	-52.2	111.4	11.2	111.8	V116 D117 L118 R123 L124	V116-R120 PolarHBondContact O-N 2.82Å; D117-R120 WeakPolarHBondContact O-CB 3.15Å; D117-R120 PolarHBondContact O-N 3.1Å; D117-R120 IonicContact OD1-CZ 3.34Å; D117-R120 IonicContact OD1-NH1 3.89Å; D117-R120 PolarHBondContact OD1-NH1 2.99Å; D117-R120 IonicContact OD1-NH2 3.05Å; D117-R120 PolarHBondContact OD1-NH2 3.43Å; L118-R120 PolarHBondContact O-N 3.37Å; R120-R123 PolarHBondContact O-N 3.18Å; R120-L124 PolarHBondContact O-N 3.14Å; R120-L124 VanDerWaalsContact O-N 3.08Å
121	L	92.8	Very high	90.1	Very high	30 Å²	30	55 Å²	55	16%	0.157	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-51	178.4	-80	156.2	0	0	0	111.7	N94 E97 I98 L101 D117 L118 R123 L124 E125	N94-L121 HydrophobicContact CB-CD2 4.15Å; E97-L121 HydrophobicContact CB-CD1 4.4Å; E97-L121 HydrophobicContact CG-CD1 3.73Å; I98-L121 HydrophobicContact CD1-CB 4.08Å; I98-L121 HydrophobicContact CG1-CB 3.71Å; L101-L121 HydrophobicContact CD1-CD1 3.46Å; L101-L121 VanDerWaalsContact CD1-CD1 3.46Å; D117-L121 PolarHBondContact O-N 3.28Å; L118-L121 PolarHBondContact O-N 3.42Å; L121-R123 PolarHBondContact O-N 3.38Å; L121-L124 WeakPolarHBondContact O-CA 3.18Å; L121-L124 WeakPolarHBondContact O-CB 3.41Å; L121-L124 PolarHBondContact O-N 3.3Å; L121-E125 PolarHBondContact O-N 3.2Å
122	L	93.1	Very high	90.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-54.9	-30.1	175.5	-91	48.4	0	0	0	113.1	I98 L118 E127 K130 V131 A134	I98-L122 HydrophobicContact CB-CD1 4.19Å; I98-L122 HydrophobicContact CD1-CD1 3.75Å; I98-L122 HydrophobicContact CG1-CD1 3.61Å; I98-L122 HydrophobicContact CG2-CD1 3.55Å; L118-L122 HydrophobicContact CD1-CD1 3.55Å; L118-L122 HydrophobicContact CD1-CD2 4.4Å; L118-L122 HydrophobicContact CG-CD1 4.07Å; L118-L122 HydrophobicContact CG-CD2 4.15Å; L118-L122 WeakPolarHBondContact O-CB 3.25Å; L118-L122 WeakPolarHBondContact O-CD1 3.37Å; L118-L122 PolarHBondContact O-N 3.45Å; L122-E127 PolarHBondContact O-N 3.45Å; L122-K130 HydrophobicContact CD2-CB 3.65Å; L122-K130 HydrophobicContact CG-CB 3.87Å; L122-V131 HydrophobicContact CB-CG2 3.64Å; L122-V131 VanDerWaalsContact O-CG2 3.24Å; L122-V131 WeakPolarHBondContact O-CG2 3.46Å; L122-A134 HydrophobicContact CD2-CB 3.84Å
123	R	91.7	Very high	90.9	Very high	93 Å²	93	58.5 Å²	58.5	35%	0.351	29%	0.293	S	S	.	.	H	α-helix	trans	-81.1	-28.4	176.9	-169.3	-175.6	-173.4	-158.7	8.9	112.8	I119 R120 L121 V131 E151 D155	I119-R123 VanDerWaalsContact O-CB 3.3Å; I119-R123 WeakPolarHBondContact O-CB 3.43Å; I119-R123 PolarHBondContact O-N 3.06Å; R120-R123 PolarHBondContact O-N 3.18Å; L121-R123 PolarHBondContact O-N 3.38Å; R123-V131 HydrophobicContact CB-CG2 4.09Å; R123-E151 IonicContact CZ-OE2 2.69Å; R123-E151 IonicContact NH1-OE2 2.69Å; R123-E151 PolarHBondContact NH1-OE2 2.66Å; R123-D155 IonicContact CZ-OD1 2.76Å; R123-D155 IonicContact CZ-OD2 2.88Å; R123-D155 IonicContact NE-OD1 2.84Å; R123-D155 PolarHBondContact NE-OD1 2.99Å; R123-D155 IonicContact NE-OD2 3.53Å; R123-D155 PolarHBondContact NE-OD2 2.88Å; R123-D155 IonicContact NH2-OD1 3.54Å; R123-D155 PolarHBondContact NH2-OD1 2.91Å; R123-D155 IonicContact NH2-OD2 3.88Å; R123-D155 PolarHBondContact NH2-OD2 3.07Å
124	L	90.8	Very high	91.2	Very high	125 Å²	125	53.9 Å²	53.9	65%	0.654	27%	0.269	S	S	*	.	H	α-helix	trans	-69.2	-46.8	173.6	-171.2	65.2	0	0	0	110.5	R120 L121 G126	R120-L124 PolarHBondContact O-N 3.14Å; R120-L124 VanDerWaalsContact O-N 3.08Å; L121-L124 WeakPolarHBondContact O-CA 3.18Å; L121-L124 WeakPolarHBondContact O-CB 3.41Å; L121-L124 PolarHBondContact O-N 3.3Å; L124-G126 PolarHBondContact O-N 2.87Å; L124-G126 VanDerWaalsContact O-N 3.09Å
125	E	88.9	Confident	91.3	Very high	54 Å²	54	54.3 Å²	54.3	25%	0.252	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	2.6	176.8	-54.7	-47.6	118.7	0	0	114.2	N94 I98 L121 E127	N94-E125 HydrophobicContact CB-CG 4.37Å; N94-E125 VanDerWaalsContact CB-OE1 3.25Å; N94-E125 WeakPolarHBondContact CB-OE1 3.46Å; N94-E125 PolarHBondContact ND2-OE1 3.44Å; I98-E125 HydrophobicContact CD1-CG 3.7Å; L121-E125 PolarHBondContact O-N 3.2Å; E125-E127 PolarHBondContact O-N 3.05Å; E125-E127 VanDerWaalsContact O-N 3.17Å
126	G	86.6	Confident	91.4	Very high	47 Å²	47	57.7 Å²	57.7	49%	0.485	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	18.5	-179.8	0	0	0	0	0	115	L124 L128	L124-G126 PolarHBondContact O-N 2.87Å; L124-G126 VanDerWaalsContact O-N 3.09Å; G126-L128 WeakPolarHBondContact O-CG 3.45Å; G126-L128 PolarHBondContact O-N 3.3Å
127	E	87.3	Confident	91.4	Very high	70 Å²	70	61.3 Å²	61.3	33%	0.327	30%	0.3	S	S	.	.			trans	-81.3	57.9	-174.5	-95.6	-80.2	-140.7	0	0	112.3	L122 E125 T129 K130 V131	L122-E127 PolarHBondContact O-N 3.45Å; E125-E127 PolarHBondContact O-N 3.05Å; E125-E127 VanDerWaalsContact O-N 3.17Å; E127-T129 PolarHBondContact O-N 3.12Å; E127-K130 HydrophobicContact CB-CB 4.2Å; E127-K130 HydrophobicContact CB-CD 4.04Å; E127-K130 HydrophobicContact CB-CG 4.32Å; E127-K130 HydrophobicContact CG-CD 4Å; E127-K130 WeakPolarHBondContact O-CA 3.2Å; E127-K130 WeakPolarHBondContact O-CB 3.46Å; E127-K130 PolarHBondContact O-N 3.43Å; E127-K130 WeakPolarHBondContact OE1-CD 3.44Å; E127-K130 WeakPolarHBondContact OE1-CE 3.48Å; E127-K130 IonicContact OE1-NZ 3.43Å; E127-K130 PolarHBondContact OE1-NZ 3.33Å; E127-V131 WeakPolarHBondContact O-CG2 3.29Å; E127-V131 PolarHBondContact O-N 3.31Å
128	L	84.9	Confident	91.4	Very high	86 Å²	86	58.7 Å²	58.7	45%	0.45	29%	0.285	S	S	.	.	H	α-helix	trans	-49.9	-36.1	-167.9	-62.1	168.1	0	0	0	114.2	G126 R132 M159	G126-L128 WeakPolarHBondContact O-CG 3.45Å; G126-L128 PolarHBondContact O-N 3.3Å; L128-R132 PolarHBondContact O-N 3.24Å; L128-R132 VanDerWaalsContact O-N 3.08Å; L128-M159 HydrophobicContact CB-SD 4.06Å; L128-M159 HydrophobicContact CD1-SD 3.76Å; L128-M159 HydrophobicContact CD2-CE 4.43Å; L128-M159 HydrophobicContact CD2-SD 3.89Å; L128-M159 HydrophobicContact CG-SD 4.1Å
129	T	88.1	Confident	91.4	Very high	91 Å²	91	58.9 Å²	58.9	56%	0.558	29%	0.287	S	S	*	.	H	α-helix	trans	-70.8	-44.8	177.1	-55.8	0	0	0	0	111.4	E127 R132 M133	E127-T129 PolarHBondContact O-N 3.12Å; T129-R132 PolarHBondContact O-N 3.27Å; T129-M133 WeakPolarHBondContact O-CG 3.42Å; T129-M133 PolarHBondContact O-N 3.08Å; T129-M133 VanDerWaalsContact O-N 3.11Å
130	K	92	Very high	91.1	Very high	69 Å²	69	64.6 Å²	64.6	30%	0.3	31%	0.313	S	S	.	.	H	α-helix	trans	-63.6	-43.2	174.2	-60.8	-179.8	177.7	155.7	0	110.4	L122 E127 R132 M133 A134	L122-K130 HydrophobicContact CD2-CB 3.65Å; L122-K130 HydrophobicContact CG-CB 3.87Å; E127-K130 HydrophobicContact CB-CB 4.2Å; E127-K130 HydrophobicContact CB-CD 4.04Å; E127-K130 HydrophobicContact CB-CG 4.32Å; E127-K130 HydrophobicContact CG-CD 4Å; E127-K130 WeakPolarHBondContact O-CA 3.2Å; E127-K130 WeakPolarHBondContact O-CB 3.46Å; E127-K130 PolarHBondContact O-N 3.43Å; E127-K130 WeakPolarHBondContact OE1-CD 3.44Å; E127-K130 WeakPolarHBondContact OE1-CE 3.48Å; E127-K130 IonicContact OE1-NZ 3.43Å; E127-K130 PolarHBondContact OE1-NZ 3.33Å; K130-R132 VanDerWaalsContact C-N 3.34Å; K130-R132 PolarHBondContact O-N 3.02Å; K130-M133 PolarHBondContact O-N 3.17Å; K130-M133 VanDerWaalsContact O-N 3.14Å; K130-A134 WeakPolarHBondContact O-CB 3.42Å; K130-A134 PolarHBondContact O-N 2.9Å
131	V	93.6	Very high	90.7	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.024	30%	0.297	C	S	.	.	H	α-helix	trans	-52.3	-50.9	175.2	175.2	0	0	0	0	110.9	L122 R123 E127 M133 A134 R135	L122-V131 HydrophobicContact CB-CG2 3.64Å; L122-V131 VanDerWaalsContact O-CG2 3.24Å; L122-V131 WeakPolarHBondContact O-CG2 3.46Å; R123-V131 HydrophobicContact CB-CG2 4.09Å; E127-V131 WeakPolarHBondContact O-CG2 3.29Å; E127-V131 PolarHBondContact O-N 3.31Å; V131-M133 PolarHBondContact O-N 3.08Å; V131-A134 PolarHBondContact O-N 2.91Å; V131-R135 HydrophobicContact CG1-CG 4.42Å; V131-R135 WeakPolarHBondContact O-CB 3.41Å; V131-R135 WeakPolarHBondContact O-CG 3.45Å; V131-R135 PolarHBondContact O-N 2.9Å
132	R	92	Very high	90.3	Very high	88 Å²	88	59.7 Å²	59.7	33%	0.332	30%	0.297	S	S	.	.	H	α-helix	trans	-60.7	-43.6	179.3	-173.7	-177.8	-68.2	139.1	-5.2	111.5	L128 T129 K130 Q136 E156	L128-R132 PolarHBondContact O-N 3.24Å; L128-R132 VanDerWaalsContact O-N 3.08Å; T129-R132 PolarHBondContact O-N 3.27Å; K130-R132 VanDerWaalsContact C-N 3.34Å; K130-R132 PolarHBondContact O-N 3.02Å; R132-Q136 WeakPolarHBondContact O-CB 3.5Å; R132-Q136 WeakPolarHBondContact O-CG 3.43Å; R132-Q136 PolarHBondContact O-N 3.39Å; R132-E156 WeakPolarHBondContact CG-OE1 3.35Å; R132-E156 IonicContact CZ-OE1 2.83Å; R132-E156 IonicContact CZ-OE2 3.53Å; R132-E156 IonicContact NE-OE1 3.67Å; R132-E156 PolarHBondContact NE-OE1 3.25Å; R132-E156 IonicContact NE-OE2 3.65Å; R132-E156 PolarHBondContact NE-OE2 2.87Å; R132-E156 IonicContact NH2-OE1 3.58Å; R132-E156 IonicContact NH2-OE2 2.74Å; R132-E156 PolarHBondContact NH2-OE2 2.93Å
133	M	92.2	Very high	90.2	Very high	103 Å²	103	60.1 Å²	60.1	51%	0.507	30%	0.299	S	S	.	.	H	α-helix	trans	-67.3	-39.6	177.7	-68.9	-178.3	73	0	0	112.9	T129 K130 V131 Q136 K137	T129-M133 WeakPolarHBondContact O-CG 3.42Å; T129-M133 PolarHBondContact O-N 3.08Å; T129-M133 VanDerWaalsContact O-N 3.11Å; K130-M133 PolarHBondContact O-N 3.17Å; K130-M133 VanDerWaalsContact O-N 3.14Å; V131-M133 PolarHBondContact O-N 3.08Å; M133-Q136 PolarHBondContact O-N 2.89Å; M133-K137 VanDerWaalsContact O-CG 3.31Å; M133-K137 WeakPolarHBondContact O-CG 3.26Å; M133-K137 PolarHBondContact O-N 3.07Å
134	A	93.1	Very high	90.2	Very high	6 Å²	6	56 Å²	56	5%	0.05	28%	0.284	C	S	.	.	H	α-helix	trans	-65.8	-47.1	176.7	0	0	0	0	0	111.4	I119 L122 K130 V131 Q136 K137 M138	I119-A134 HydrophobicContact CD1-CB 4.44Å; I119-A134 HydrophobicContact CG1-CB 3.7Å; L122-A134 HydrophobicContact CD2-CB 3.84Å; K130-A134 WeakPolarHBondContact O-CB 3.42Å; K130-A134 PolarHBondContact O-N 2.9Å; V131-A134 PolarHBondContact O-N 2.91Å; A134-Q136 VanDerWaalsContact C-N 3.34Å; A134-Q136 PolarHBondContact O-N 2.69Å; A134-K137 PolarHBondContact O-N 3.32Å; A134-M138 WeakPolarHBondContact O-CB 3.38Å; A134-M138 PolarHBondContact O-N 2.87Å
135	R	94.5	Very high	90.2	Very high	12 Å²	12	52.2 Å²	52.2	5%	0.045	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-39.6	174.4	-73.5	176.3	169	160.2	-8.1	112.7	I119 V131 M138 S139 W152 D155	I119-R135 HydrophobicContact CD1-CB 4.46Å; I119-R135 HydrophobicContact CD1-CG 3.82Å; I119-R135 HydrophobicContact CG1-CG 4.06Å; I119-R135 HydrophobicContact CG2-CG 3.77Å; V131-R135 HydrophobicContact CG1-CG 4.42Å; V131-R135 WeakPolarHBondContact O-CB 3.41Å; V131-R135 WeakPolarHBondContact O-CG 3.45Å; V131-R135 PolarHBondContact O-N 2.9Å; R135-M138 PolarHBondContact O-N 3.46Å; R135-S139 WeakPolarHBondContact O-CB 3.37Å; R135-S139 PolarHBondContact O-N 3.3Å; R135-S139 PolarHBondContact O-OG 3.32Å; R135-W152 HydrophobicContact CB-CD2 3.82Å; R135-W152 HydrophobicContact CB-CE3 3.81Å; R135-W152 HydrophobicContact CB-CG 4.49Å; R135-W152 HydrophobicContact CB-CH2 3.99Å; R135-W152 HydrophobicContact CB-CZ2 3.99Å; R135-W152 HydrophobicContact CB-CZ3 3.89Å; R135-W152 VanDerWaalsContact CD-CG 3.46Å; R135-W152 HydrophobicContact CG-CD2 4.34Å; R135-D155 IonicContact CZ-OD2 3.6Å; R135-D155 IonicContact NH1-OD2 3.41Å; R135-D155 PolarHBondContact NH1-OD2 3.09Å; R135-D155 IonicContact NH2-OD2 3.51Å; R135-D155 PolarHBondContact NH2-OD2 3.23Å
136	Q	93.4	Very high	90.4	Very high	75 Å²	75	50.9 Å²	50.9	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-59.6	-55.8	172.7	-76.7	171.6	-0.5	0	0	111.5	R132 M133 A134 M138 S139 E140 W152	R132-Q136 WeakPolarHBondContact O-CB 3.5Å; R132-Q136 WeakPolarHBondContact O-CG 3.43Å; R132-Q136 PolarHBondContact O-N 3.39Å; M133-Q136 PolarHBondContact O-N 2.89Å; A134-Q136 VanDerWaalsContact C-N 3.34Å; A134-Q136 PolarHBondContact O-N 2.69Å; Q136-M138 VanDerWaalsContact C-N 3.3Å; Q136-M138 PolarHBondContact O-N 3.3Å; Q136-S139 PolarHBondContact O-N 2.92Å; Q136-S139 VanDerWaalsContact O-N 3.15Å; Q136-S139 PolarHBondContact O-OG 2.7Å; Q136-E140 WeakPolarHBondContact O-CG 3.26Å; Q136-E140 PolarHBondContact O-N 3.11Å; Q136-E140 VanDerWaalsContact O-N 3.11Å; Q136-W152 HydrophobicContact CB-CH2 4.4Å; Q136-W152 HydrophobicContact CG-CH2 3.66Å; Q136-W152 HydrophobicContact CG-CZ2 3.81Å
137	K	91.6	Very high	90.6	Very high	108 Å²	108	54 Å²	54	47%	0.47	26%	0.262	S	S	.	.	H	α-helix	trans	-52.2	-47.1	176.5	-69.8	168.5	-176.3	175.7	0	111.8	M133 A134 E140	M133-K137 VanDerWaalsContact O-CG 3.31Å; M133-K137 WeakPolarHBondContact O-CG 3.26Å; M133-K137 PolarHBondContact O-N 3.07Å; A134-K137 PolarHBondContact O-N 3.32Å; K137-E140 PolarHBondContact O-N 2.72Å
138	M	92.4	Very high	90.9	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-47.9	178.8	-170.2	-169.5	179.1	0	0	111.5	Y112 H115 V116 I119 A134 R135 Q136 E140 I141 F142 L144 L148	Y112-M138 HydrophobicContact CD2-CE 3.65Å; Y112-M138 HydrophobicContact CE1-CE 4.41Å; Y112-M138 HydrophobicContact CE2-CE 3.31Å; Y112-M138 HydrophobicContact CG-CE 4.34Å; H115-M138 HydrophobicContact CB-CB 4.12Å; H115-M138 HydrophobicContact CB-CE 4.26Å; H115-M138 HydrophobicContact CB-CG 3.67Å; H115-M138 HydrophobicContact CB-SD 3.82Å; V116-M138 HydrophobicContact CG2-CE 3.53Å; V116-M138 HydrophobicContact CG2-SD 4.34Å; I119-M138 HydrophobicContact CD1-CB 4.05Å; I119-M138 HydrophobicContact CD1-CG 4.42Å; I119-M138 HydrophobicContact CD1-SD 3.6Å; I119-M138 VanDerWaalsContact CD1-SD 3.6Å; A134-M138 WeakPolarHBondContact O-CB 3.38Å; A134-M138 PolarHBondContact O-N 2.87Å; R135-M138 PolarHBondContact O-N 3.46Å; Q136-M138 VanDerWaalsContact C-N 3.3Å; Q136-M138 PolarHBondContact O-N 3.3Å; M138-E140 VanDerWaalsContact C-N 3.3Å; M138-E140 PolarHBondContact O-N 3.34Å; M138-I141 PolarHBondContact O-N 2.99Å; M138-F142 HydrophobicContact CG-CD2 4.21Å; M138-F142 PolarHBondContact O-N 2.99Å; M138-L144 HydrophobicContact CE-CD2 3.82Å; M138-L144 HydrophobicContact CG-CD2 3.84Å; M138-L144 HydrophobicContact SD-CD2 3.73Å; M138-L148 HydrophobicContact CE-CD1 4.27Å
139	S	92.9	Very high	91.4	Very high	8 Å²	8	48.7 Å²	48.7	6%	0.056	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-28.3	-177.6	72.3	0	0	0	0	114.2	R135 Q136 I141 F142 R391	R135-S139 WeakPolarHBondContact O-CB 3.37Å; R135-S139 PolarHBondContact O-N 3.3Å; R135-S139 PolarHBondContact O-OG 3.32Å; Q136-S139 PolarHBondContact O-N 2.92Å; Q136-S139 VanDerWaalsContact O-N 3.15Å; Q136-S139 PolarHBondContact O-OG 2.7Å; S139-I141 VanDerWaalsContact C-N 3.32Å; S139-F142 CarbonylContact C-O 3.57Å; S139-F142 VanDerWaalsContact O-O 3.09Å; S139-R391 PolarHBondContact O-NH2 2.8Å
140	E	88.4	Confident	91.7	Very high	137 Å²	137	45.7 Å²	45.7	64%	0.64	22%	0.216	S	C	*	.	H	α-helix	trans	-73.8	-26.3	178.2	-72.4	179.6	-176.9	0	0	112.5	Q136 K137 M138	Q136-E140 WeakPolarHBondContact O-CG 3.26Å; Q136-E140 PolarHBondContact O-N 3.11Å; Q136-E140 VanDerWaalsContact O-N 3.11Å; K137-E140 PolarHBondContact O-N 2.72Å; M138-E140 VanDerWaalsContact C-N 3.3Å; M138-E140 PolarHBondContact O-N 3.34Å
141	I	84.3	Confident	91.8	Very high	42 Å²	42	46.1 Å²	46.1	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-91.2	-56	177.3	-59.1	167.1	0	0	0	109.8	V109 Y110 M138 S139	V109-I141 HydrophobicContact CB-CD1 4.22Å; V109-I141 HydrophobicContact CG1-CD1 3.57Å; Y110-I141 HydrophobicContact CD1-CG2 3.74Å; Y110-I141 HydrophobicContact CE1-CG2 3.98Å; M138-I141 PolarHBondContact O-N 2.99Å; S139-I141 VanDerWaalsContact C-N 3.32Å
142	F	84.9	Confident	91.9	Very high	33 Å²	33	46.1 Å²	46.1	15%	0.145	22%	0.219	C	C	.	.	S	Bend	trans	-107.4	142.6	-170.6	-62.1	-70.5	0	0	0	112.6	Y110 Y112 H115 M138 S139 R391	Y110-F142 WeakPolarHBondContact O-CZ 3.22Å; Y112-F142 HydrophobicContact CD2-CB 4.19Å; Y112-F142 HydrophobicContact CD2-CD1 4.02Å; Y112-F142 HydrophobicContact CD2-CD2 4.11Å; Y112-F142 HydrophobicContact CD2-CE1 4.44Å; Y112-F142 AromaticContact CD2-CG 3.84Å; Y112-F142 HydrophobicContact CD2-CG 3.84Å; Y112-F142 HydrophobicContact CE2-CB 4.41Å; H115-F142 AromaticContact CD2-CE2 3.83Å; M138-F142 HydrophobicContact CG-CD2 4.21Å; M138-F142 PolarHBondContact O-N 2.99Å; S139-F142 CarbonylContact C-O 3.57Å; S139-F142 VanDerWaalsContact O-O 3.09Å; F142-R391 PolarHBondContact O-NH2 2.61Å
143	P	90.8	Very high	92	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.058	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-70.9	123.8	163.1	-10.1	27.4	0	0	0	109.5	D179 Y180 R391 N392	P143-D179 VanDerWaalsContact CA-OD2 3.31Å; P143-D179 WeakPolarHBondContact CA-OD2 3.13Å; P143-D179 HydrophobicContact CB-CB 3.97Å; P143-Y180 HydrophobicContact CB-CE2 3.82Å; P143-R391 HydrophobicContact CG-CB 3.8Å; P143-N392 WeakPolarHBondContact CG-ND2 3.46Å
144	L	91.1	Very high	92.2	Very high	5 Å²	5	41 Å²	41	3%	0.026	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-86.5	153.2	-179.7	-43.1	-178.4	0	0	0	110.9	M138 L148 W149 W152 D179 Y180	M138-L144 HydrophobicContact CE-CD2 3.82Å; M138-L144 HydrophobicContact CG-CD2 3.84Å; M138-L144 HydrophobicContact SD-CD2 3.73Å; L144-L148 HydrophobicContact CB-CB 4.03Å; L144-L148 HydrophobicContact CB-CD1 4.48Å; L144-W149 HydrophobicContact CB-CD2 4.33Å; L144-W149 HydrophobicContact CB-CG 4.2Å; L144-W149 HydrophobicContact CD1-CD2 4.17Å; L144-W149 HydrophobicContact CD1-CE3 4.42Å; L144-W149 HydrophobicContact CD1-CH2 4.35Å; L144-W149 HydrophobicContact CD1-CZ2 4.09Å; L144-W149 HydrophobicContact CG-CZ2 4.21Å; L144-W152 HydrophobicContact CD1-CE3 4.39Å; L144-D179 PolarHBondContact N-OD2 3.45Å; L144-Y180 VanDerWaalsContact O-CD2 3.28Å; L144-Y180 WeakPolarHBondContact O-CD2 3.4Å; L144-Y180 VanDerWaalsContact O-CE2 3.28Å; L144-Y180 WeakPolarHBondContact O-CE2 3.31Å
145	T	90.7	Very high	92.1	Very high	46 Å²	46	42 Å²	42	28%	0.282	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-74.6	170.8	179	74.4	0	0	0	0	112.1	E147 L148 W149	T145-E147 WeakPolarHBondContact CB-OE2 3.4Å; T145-E147 PolarHBondContact O-N 3.43Å; T145-E147 PolarHBondContact OG1-OE2 3.09Å; T145-L148 PolarHBondContact O-N 3.27Å; T145-L148 PolarHBondContact OG1-N 3.47Å; T145-W149 PolarHBondContact O-N 3.43Å; T145-W149 VanDerWaalsContact O-N 3.12Å
146	E	93.3	Very high	92	Very high	26 Å²	26	42.4 Å²	42.4	12%	0.121	20%	0.204	C	C	.	.	H	α-helix	trans	-59	-36.8	177.9	-172.1	167.9	-130.7	0	0	110.9	L150 C182 P183 N184 I185 K223	E146-L150 HydrophobicContact CG-CD1 4.11Å; E146-L150 WeakPolarHBondContact O-CB 3.29Å; E146-L150 WeakPolarHBondContact O-CD1 3.29Å; E146-L150 WeakPolarHBondContact O-CG 3.38Å; E146-L150 PolarHBondContact O-N 3.3Å; E146-C182 HydrophobicContact CG-CB 4.16Å; E146-C182 WeakPolarHBondContact OE1-CA 3.36Å; E146-C182 WeakPolarHBondContact OE1-CB 3.44Å; E146-P183 WeakPolarHBondContact OE1-CD 3.37Å; E146-P183 VanDerWaalsContact OE1-N 3.1Å; E146-N184 VanDerWaalsContact CD-ND2 3.33Å; E146-N184 HydrophobicContact CG-CB 4.22Å; E146-N184 WeakPolarHBondContact OE1-CB 3.43Å; E146-N184 PolarHBondContact OE1-N 3.01Å; E146-N184 PolarHBondContact OE2-ND2 3.37Å; E146-I185 HydrophobicContact CG-CD1 4.2Å; E146-I185 HydrophobicContact CG-CG1 4.14Å; E146-K223 IonicContact OE2-NZ 3.48Å; E146-K223 PolarHBondContact OE2-NZ 3.04Å
147	E	91.4	Very high	92	Very high	112 Å²	112	41 Å²	41	52%	0.523	20%	0.198	S	C	.	.	H	α-helix	trans	-69.9	-49.6	179.7	-53	73.1	-158.9	0	0	112.1	T145 W149 L150 E151	T145-E147 WeakPolarHBondContact CB-OE2 3.4Å; T145-E147 PolarHBondContact O-N 3.43Å; T145-E147 PolarHBondContact OG1-OE2 3.09Å; E147-W149 VanDerWaalsContact C-N 3.32Å; E147-W149 PolarHBondContact O-N 3.13Å; E147-L150 PolarHBondContact O-N 3.38Å; E147-L150 VanDerWaalsContact O-N 3.16Å; E147-E151 PolarHBondContact O-N 3.41Å
148	L	92.6	Very high	91.9	Very high	40 Å²	40	40.5 Å²	40.5	21%	0.209	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-36.9	-179.9	-72.9	176.8	0	0	0	112.4	Y112 M138 L144 T145 W152	Y112-L148 WeakPolarHBondContact OH-CD1 3.48Å; M138-L148 HydrophobicContact CE-CD1 4.27Å; L144-L148 HydrophobicContact CB-CB 4.03Å; L144-L148 HydrophobicContact CB-CD1 4.48Å; T145-L148 PolarHBondContact O-N 3.27Å; T145-L148 PolarHBondContact OG1-N 3.47Å; L148-W152 PolarHBondContact O-N 2.69Å
149	W	96.1	Very high	91.7	Very high	6 Å²	6	42.4 Å²	42.4	2%	0.023	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-44.6	171.9	-84	121.6	0	0	0	111.8	L144 T145 E147 W152 L153 L172 K175 A176 D179 I185	L144-W149 HydrophobicContact CB-CD2 4.33Å; L144-W149 HydrophobicContact CB-CG 4.2Å; L144-W149 HydrophobicContact CD1-CD2 4.17Å; L144-W149 HydrophobicContact CD1-CE3 4.42Å; L144-W149 HydrophobicContact CD1-CH2 4.35Å; L144-W149 HydrophobicContact CD1-CZ2 4.09Å; L144-W149 HydrophobicContact CG-CZ2 4.21Å; T145-W149 PolarHBondContact O-N 3.43Å; T145-W149 VanDerWaalsContact O-N 3.12Å; E147-W149 VanDerWaalsContact C-N 3.32Å; E147-W149 PolarHBondContact O-N 3.13Å; W149-W152 AromaticContact CE3-CE3 3.82Å; W149-W152 HydrophobicContact CE3-CE3 3.82Å; W149-W152 HydrophobicContact CE3-CZ3 4.28Å; W149-W152 HydrophobicContact CH2-CE3 4.21Å; W149-W152 AromaticContact CH2-CZ3 3.83Å; W149-W152 HydrophobicContact CH2-CZ3 3.83Å; W149-W152 HydrophobicContact CZ3-CD2 4.43Å; W149-W152 AromaticContact CZ3-CE3 3.4Å; W149-W152 HydrophobicContact CZ3-CE3 3.4Å; W149-W152 HydrophobicContact CZ3-CH2 4.44Å; W149-W152 AromaticContact CZ3-CZ3 3.41Å; W149-W152 HydrophobicContact CZ3-CZ3 3.41Å; W149-W152 VanDerWaalsContact CZ3-CZ3 3.41Å; W149-W152 PolarHBondContact O-N 3.05Å; W149-L153 WeakPolarHBondContact O-CB 3.4Å; W149-L153 WeakPolarHBondContact O-CD1 3.49Å; W149-L153 WeakPolarHBondContact O-CG 3.49Å; W149-L153 PolarHBondContact O-N 2.98Å; W149-L172 HydrophobicContact CZ3-CD1 3.82Å; W149-K175 HydrophobicContact CH2-CB 3.96Å; W149-K175 HydrophobicContact CZ3-CB 4.4Å; W149-A176 HydrophobicContact CB-CB 4.13Å; W149-A176 HydrophobicContact CD2-CB 3.55Å; W149-A176 HydrophobicContact CE3-CB 3.62Å; W149-A176 HydrophobicContact CG-CB 3.79Å; W149-A176 HydrophobicContact CZ3-CB 4.27Å; W149-D179 WeakPolarHBondContact CZ2-OD2 3.47Å; W149-D179 PolarHBondContact NE1-OD2 2.91Å; W149-I185 HydrophobicContact CB-CD1 3.49Å; W149-I185 VanDerWaalsContact CB-CD1 3.49Å; W149-I185 HydrophobicContact CG-CD1 4.18Å
150	L	95.3	Very high	91.6	Very high	27 Å²	27	43.4 Å²	43.4	14%	0.141	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-41.6	177.3	-76.7	169.7	0	0	0	112.4	E146 E147 W152 L153 H154 N184 I185 E188	E146-L150 HydrophobicContact CG-CD1 4.11Å; E146-L150 WeakPolarHBondContact O-CB 3.29Å; E146-L150 WeakPolarHBondContact O-CD1 3.29Å; E146-L150 WeakPolarHBondContact O-CG 3.38Å; E146-L150 PolarHBondContact O-N 3.3Å; E147-L150 PolarHBondContact O-N 3.38Å; E147-L150 VanDerWaalsContact O-N 3.16Å; L150-W152 VanDerWaalsContact C-N 3.32Å; L150-W152 PolarHBondContact O-N 3.28Å; L150-L153 PolarHBondContact O-N 3.19Å; L150-H154 WeakPolarHBondContact O-CB 3.15Å; L150-H154 PolarHBondContact O-N 3.07Å; L150-H154 PolarHBondContact O-ND1 3.11Å; L150-H154 VanDerWaalsContact O-ND1 3.14Å; L150-N184 HydrophobicContact CD1-CB 3.93Å; L150-I185 HydrophobicContact CD2-CG1 3.84Å; L150-I185 HydrophobicContact CG-CG1 3.81Å; L150-E188 HydrophobicContact CD2-CB 4.3Å; L150-E188 HydrophobicContact CD2-CG 3.9Å
151	E	93.6	Very high	91.5	Very high	79 Å²	79	45.7 Å²	45.7	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-58.9	-42.3	174.8	-76.4	-170.7	-128.8	0	0	112.5	R123 E147 D155	R123-E151 IonicContact CZ-OE2 2.69Å; R123-E151 IonicContact NH1-OE2 2.69Å; R123-E151 PolarHBondContact NH1-OE2 2.66Å; E147-E151 PolarHBondContact O-N 3.41Å; E151-D155 VanDerWaalsContact O-CG 3.25Å; E151-D155 PolarHBondContact O-N 3.48Å
152	W	95.1	Very high	91.6	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.011	25%	0.254	C	S	.	.	H	α-helix	trans	-67.9	-46	175.8	-170.9	6.6	0	0	0	111.7	R135 Q136 L144 L148 W149 L150 H154 D155 E156 L172	R135-W152 HydrophobicContact CB-CD2 3.82Å; R135-W152 HydrophobicContact CB-CE3 3.81Å; R135-W152 HydrophobicContact CB-CG 4.49Å; R135-W152 HydrophobicContact CB-CH2 3.99Å; R135-W152 HydrophobicContact CB-CZ2 3.99Å; R135-W152 HydrophobicContact CB-CZ3 3.89Å; R135-W152 VanDerWaalsContact CD-CG 3.46Å; R135-W152 HydrophobicContact CG-CD2 4.34Å; Q136-W152 HydrophobicContact CB-CH2 4.4Å; Q136-W152 HydrophobicContact CG-CH2 3.66Å; Q136-W152 HydrophobicContact CG-CZ2 3.81Å; L144-W152 HydrophobicContact CD1-CE3 4.39Å; L148-W152 PolarHBondContact O-N 2.69Å; W149-W152 AromaticContact CE3-CE3 3.82Å; W149-W152 HydrophobicContact CE3-CE3 3.82Å; W149-W152 HydrophobicContact CE3-CZ3 4.28Å; W149-W152 HydrophobicContact CH2-CE3 4.21Å; W149-W152 AromaticContact CH2-CZ3 3.83Å; W149-W152 HydrophobicContact CH2-CZ3 3.83Å; W149-W152 HydrophobicContact CZ3-CD2 4.43Å; W149-W152 AromaticContact CZ3-CE3 3.4Å; W149-W152 HydrophobicContact CZ3-CE3 3.4Å; W149-W152 HydrophobicContact CZ3-CH2 4.44Å; W149-W152 AromaticContact CZ3-CZ3 3.41Å; W149-W152 HydrophobicContact CZ3-CZ3 3.41Å; W149-W152 VanDerWaalsContact CZ3-CZ3 3.41Å; W149-W152 PolarHBondContact O-N 3.05Å; L150-W152 VanDerWaalsContact C-N 3.32Å; L150-W152 PolarHBondContact O-N 3.28Å; W152-H154 PolarHBondContact O-N 3.35Å; W152-D155 PolarHBondContact O-N 3.47Å; W152-E156 VanDerWaalsContact CD1-CG 3.4Å; W152-E156 PolarHBondContact NE1-OE1 3.16Å; W152-E156 VanDerWaalsContact O-CG 3.26Å; W152-E156 WeakPolarHBondContact O-CG 3.46Å; W152-E156 PolarHBondContact O-N 3.06Å; W152-L172 HydrophobicContact CD2-CD1 3.99Å; W152-L172 HydrophobicContact CD2-CD2 4.14Å; W152-L172 HydrophobicContact CE3-CD1 4.04Å; W152-L172 HydrophobicContact CG-CD2 4.15Å; W152-L172 HydrophobicContact CH2-CD1 3.79Å; W152-L172 HydrophobicContact CZ2-CD1 3.73Å; W152-L172 HydrophobicContact CZ3-CD1 3.95Å
153	L	95.3	Very high	91.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-44.1	178.7	-72.3	162.1	0	0	0	111.4	W149 L150 E156 I157 L172 F173 A176 I185	W149-L153 WeakPolarHBondContact O-CB 3.4Å; W149-L153 WeakPolarHBondContact O-CD1 3.49Å; W149-L153 WeakPolarHBondContact O-CG 3.49Å; W149-L153 PolarHBondContact O-N 2.98Å; L150-L153 PolarHBondContact O-N 3.19Å; L153-E156 PolarHBondContact O-N 2.82Å; L153-I157 HydrophobicContact CB-CD1 4.48Å; L153-I157 VanDerWaalsContact O-CB 3.24Å; L153-I157 WeakPolarHBondContact O-CB 3.25Å; L153-I157 WeakPolarHBondContact O-CD1 2.99Å; L153-I157 WeakPolarHBondContact O-CG1 3.41Å; L153-I157 PolarHBondContact O-N 2.96Å; L153-L172 HydrophobicContact CD2-CB 4.24Å; L153-L172 HydrophobicContact CD2-CD2 3.97Å; L153-L172 HydrophobicContact CD2-CG 3.87Å; L153-F173 HydrophobicContact CD1-CD1 3.77Å; L153-F173 HydrophobicContact CD1-CE1 3.66Å; L153-F173 HydrophobicContact CD1-CZ 4.43Å; L153-F173 HydrophobicContact CD2-CD1 3.7Å; L153-F173 HydrophobicContact CD2-CD2 3.96Å; L153-F173 HydrophobicContact CD2-CE1 3.84Å; L153-F173 HydrophobicContact CD2-CE2 4.07Å; L153-F173 HydrophobicContact CD2-CG 3.77Å; L153-F173 HydrophobicContact CD2-CZ 4.02Å; L153-F173 HydrophobicContact CG-CD1 4.37Å; L153-F173 HydrophobicContact CG-CE1 4.24Å; L153-A176 HydrophobicContact CD1-CB 4.11Å; L153-I185 HydrophobicContact CD1-CG1 4.39Å; L153-I185 HydrophobicContact CD1-CG2 3.94Å
154	H	94.9	Very high	91.4	Very high	85 Å²	85	53.1 Å²	53.1	39%	0.394	29%	0.285	S	S	.	.	H	α-helix	trans	-63.9	-42.2	177.4	-64.1	150.2	0	0	0	112.8	L150 W152 I157 S158	L150-H154 WeakPolarHBondContact O-CB 3.15Å; L150-H154 PolarHBondContact O-N 3.07Å; L150-H154 PolarHBondContact O-ND1 3.11Å; L150-H154 VanDerWaalsContact O-ND1 3.14Å; W152-H154 PolarHBondContact O-N 3.35Å; H154-I157 PolarHBondContact O-N 2.71Å; H154-S158 WeakPolarHBondContact O-CB 3.43Å; H154-S158 PolarHBondContact O-N 3.14Å
155	D	92.1	Very high	91.3	Very high	26 Å²	26	55.6 Å²	55.6	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-48.3	176.1	-69.3	-18.6	0	0	0	110.6	R123 R135 E151 W152 S158 M159	R123-D155 IonicContact CZ-OD1 2.76Å; R123-D155 IonicContact CZ-OD2 2.88Å; R123-D155 IonicContact NE-OD1 2.84Å; R123-D155 PolarHBondContact NE-OD1 2.99Å; R123-D155 IonicContact NE-OD2 3.53Å; R123-D155 PolarHBondContact NE-OD2 2.88Å; R123-D155 IonicContact NH2-OD1 3.54Å; R123-D155 PolarHBondContact NH2-OD1 2.91Å; R123-D155 IonicContact NH2-OD2 3.88Å; R123-D155 PolarHBondContact NH2-OD2 3.07Å; R135-D155 IonicContact CZ-OD2 3.6Å; R135-D155 IonicContact NH1-OD2 3.41Å; R135-D155 PolarHBondContact NH1-OD2 3.09Å; R135-D155 IonicContact NH2-OD2 3.51Å; R135-D155 PolarHBondContact NH2-OD2 3.23Å; E151-D155 VanDerWaalsContact O-CG 3.25Å; E151-D155 PolarHBondContact O-N 3.48Å; W152-D155 PolarHBondContact O-N 3.47Å; D155-S158 PolarHBondContact O-N 3.21Å; D155-S158 PolarHBondContact O-OG 3.03Å; D155-M159 HydrophobicContact CB-CE 4.31Å; D155-M159 WeakPolarHBondContact O-CE 3.1Å; D155-M159 WeakPolarHBondContact O-CG 3.47Å; D155-M159 PolarHBondContact O-N 3.2Å
156	E	92.4	Very high	91.3	Very high	20 Å²	20	55.2 Å²	55.2	9%	0.093	29%	0.291	C	S	.	.	H	α-helix	trans	-68.9	-37	-178.4	-59.6	-82.3	-164	0	0	112.2	R132 W152 L153 S158 M159 A160 V169 L172	R132-E156 WeakPolarHBondContact CG-OE1 3.35Å; R132-E156 IonicContact CZ-OE1 2.83Å; R132-E156 IonicContact CZ-OE2 3.53Å; R132-E156 IonicContact NE-OE1 3.67Å; R132-E156 PolarHBondContact NE-OE1 3.25Å; R132-E156 IonicContact NE-OE2 3.65Å; R132-E156 PolarHBondContact NE-OE2 2.87Å; R132-E156 IonicContact NH2-OE1 3.58Å; R132-E156 IonicContact NH2-OE2 2.74Å; R132-E156 PolarHBondContact NH2-OE2 2.93Å; W152-E156 VanDerWaalsContact CD1-CG 3.4Å; W152-E156 PolarHBondContact NE1-OE1 3.16Å; W152-E156 VanDerWaalsContact O-CG 3.26Å; W152-E156 WeakPolarHBondContact O-CG 3.46Å; W152-E156 PolarHBondContact O-N 3.06Å; L153-E156 PolarHBondContact O-N 2.82Å; E156-S158 VanDerWaalsContact C-N 3.3Å; E156-S158 PolarHBondContact O-N 3.05Å; E156-M159 HydrophobicContact CG-CE 4.35Å; E156-M159 PolarHBondContact O-N 2.99Å; E156-M159 WeakPolarHBondContact OE2-CE 3.36Å; E156-A160 WeakPolarHBondContact O-CB 3.49Å; E156-A160 PolarHBondContact O-N 2.7Å; E156-V169 HydrophobicContact CB-CG2 4.16Å; E156-L172 HydrophobicContact CB-CD2 4.16Å; E156-L172 HydrophobicContact CG-CD2 3.73Å
157	I	92.9	Very high	91.2	Very high	46 Å²	46	58.3 Å²	58.3	24%	0.236	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-36.4	171.4	-73.1	165.9	0	0	0	111.3	L153 H154 V169 F173 Y192	L153-I157 HydrophobicContact CB-CD1 4.48Å; L153-I157 VanDerWaalsContact O-CB 3.24Å; L153-I157 WeakPolarHBondContact O-CB 3.25Å; L153-I157 WeakPolarHBondContact O-CD1 2.99Å; L153-I157 WeakPolarHBondContact O-CG1 3.41Å; L153-I157 PolarHBondContact O-N 2.96Å; H154-I157 PolarHBondContact O-N 2.71Å; I157-V169 HydrophobicContact CD1-CG1 4.47Å; I157-V169 HydrophobicContact CG1-CG1 3.79Å; I157-F173 HydrophobicContact CD1-CE2 4.1Å; I157-F173 HydrophobicContact CD1-CZ 3.92Å; I157-Y192 HydrophobicContact CB-CD2 4.44Å; I157-Y192 HydrophobicContact CB-CE2 4.31Å; I157-Y192 HydrophobicContact CD1-CD2 3.98Å; I157-Y192 HydrophobicContact CD1-CG 4.21Å; I157-Y192 HydrophobicContact CG1-CD2 3.76Å; I157-Y192 HydrophobicContact CG1-CE2 3.81Å; I157-Y192 HydrophobicContact CG1-CG 4.3Å; I157-Y192 HydrophobicContact CG2-CD2 3.89Å; I157-Y192 HydrophobicContact CG2-CE2 3.92Å
158	S	90.6	Very high	91.3	Very high	97 Å²	97	58 Å²	58	68%	0.678	30%	0.304	S	S	*	.	H	α-helix	trans	-73.2	-28.9	177.5	80.8	0	0	0	0	113.2	H154 D155 E156	H154-S158 WeakPolarHBondContact O-CB 3.43Å; H154-S158 PolarHBondContact O-N 3.14Å; D155-S158 PolarHBondContact O-N 3.21Å; D155-S158 PolarHBondContact O-OG 3.03Å; E156-S158 VanDerWaalsContact C-N 3.3Å; E156-S158 PolarHBondContact O-N 3.05Å
159	M	88.1	Confident	91.4	Very high	44 Å²	44	56.4 Å²	56.4	22%	0.217	30%	0.296	C	S	.	.	H	α-helix	trans	-84	-27.5	177.6	-72.2	-173.4	-77.4	0	0	114.1	L128 D155 E156 Q161	L128-M159 HydrophobicContact CB-SD 4.06Å; L128-M159 HydrophobicContact CD1-SD 3.76Å; L128-M159 HydrophobicContact CD2-CE 4.43Å; L128-M159 HydrophobicContact CD2-SD 3.89Å; L128-M159 HydrophobicContact CG-SD 4.1Å; D155-M159 HydrophobicContact CB-CE 4.31Å; D155-M159 WeakPolarHBondContact O-CE 3.1Å; D155-M159 WeakPolarHBondContact O-CG 3.47Å; D155-M159 PolarHBondContact O-N 3.2Å; E156-M159 HydrophobicContact CG-CE 4.35Å; E156-M159 PolarHBondContact O-N 2.99Å; E156-M159 WeakPolarHBondContact OE2-CE 3.36Å; M159-Q161 PolarHBondContact O-N 2.8Å; M159-Q161 PolarHBondContact O-NE2 2.97Å
160	A	90.1	Very high	91.3	Very high	29 Å²	29	56.3 Å²	56.3	24%	0.24	30%	0.296	C	S	.	.			trans	-63.8	116.9	-174.4	0	0	0	0	0	112.7	E156 D165 V169	E156-A160 WeakPolarHBondContact O-CB 3.49Å; E156-A160 PolarHBondContact O-N 2.7Å; A160-D165 HydrophobicContact CB-CB 3.65Å; A160-V169 HydrophobicContact CB-CG2 4.29Å
161	Q	87.1	Confident	91.3	Very high	185 Å²	185	60.1 Å²	60.1	86%	0.864	32%	0.316	S	S	*	.			trans	-114.3	-29.9	-175.9	-75.9	166.5	59.7	0	0	112.9	M159 D165	M159-Q161 PolarHBondContact O-N 2.8Å; M159-Q161 PolarHBondContact O-NE2 2.97Å; Q161-D165 PolarHBondContact N-OD2 3.01Å
162	D	85.6	Confident	91.4	Very high	107 Å²	107	57.1 Å²	57.1	57%	0.572	30%	0.302	S	S	*	.	S	Bend	trans	-110.6	165.8	-178.4	-173.7	41.4	0	0	0	113.7	L164 D165 R166	D162-L164 PolarHBondContact O-N 3.33Å; D162-L164 WeakPolarHBondContact OD2-CB 3.47Å; D162-L164 PolarHBondContact OD2-N 3.45Å; D162-D165 PolarHBondContact N-OD2 3.44Å; D162-D165 PolarHBondContact O-N 2.77Å; D162-R166 PolarHBondContact O-N 3.1Å
163	G	82.4	Confident	91.5	Very high	28 Å²	28	57 Å²	57	29%	0.289	30%	0.302	S	S	.	.	H	α-helix	trans	-60.2	-26.1	170	0	0	0	0	0	113.8
164	L	88.7	Confident	91.5	Very high	105 Å²	105	59 Å²	59	55%	0.55	31%	0.311	S	S	.	.	H	α-helix	trans	-70.3	-42.6	173.5	-167	71.8	0	0	0	112	D162 R166 E167 H168	D162-L164 PolarHBondContact O-N 3.33Å; D162-L164 WeakPolarHBondContact OD2-CB 3.47Å; D162-L164 PolarHBondContact OD2-N 3.45Å; L164-R166 PolarHBondContact O-N 2.94Å; L164-E167 PolarHBondContact O-N 3.19Å; L164-E167 VanDerWaalsContact O-N 3.17Å; L164-H168 PolarHBondContact O-N 2.72Å; L164-H168 VanDerWaalsContact O-N 3.16Å; L164-H168 PolarHBondContact O-ND1 3.17Å
165	D	89.4	Confident	91.5	Very high	56 Å²	56	59.1 Å²	59.1	30%	0.299	31%	0.311	S	S	.	.	H	α-helix	trans	-60.1	-36.3	176.2	-55.5	-35.3	0	0	0	111.3	A160 Q161 D162 E167 H168 V169	A160-D165 HydrophobicContact CB-CB 3.65Å; Q161-D165 PolarHBondContact N-OD2 3.01Å; D162-D165 PolarHBondContact N-OD2 3.44Å; D162-D165 PolarHBondContact O-N 2.77Å; D165-E167 VanDerWaalsContact C-N 3.35Å; D165-E167 PolarHBondContact O-N 3.04Å; D165-H168 WeakPolarHBondContact O-CB 3.4Å; D165-H168 PolarHBondContact O-N 3.18Å; D165-V169 WeakPolarHBondContact O-CG2 3.31Å; D165-V169 PolarHBondContact O-N 3.32Å
166	R	89.9	Confident	91.6	Very high	39 Å²	39	58 Å²	58	15%	0.147	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-39	176.3	170.2	168.5	-71.7	-79.4	-8.7	113.3	D162 L164 Y170 Y192	D162-R166 PolarHBondContact O-N 3.1Å; L164-R166 PolarHBondContact O-N 2.94Å; R166-Y170 WeakPolarHBondContact CD-OH 3.46Å; R166-Y170 HydrophobicContact CG-CD2 4.41Å; R166-Y170 HydrophobicContact CG-CE1 4.19Å; R166-Y170 HydrophobicContact CG-CE2 3.73Å; R166-Y170 PolarHBondContact NH1-OH 3.46Å; R166-Y170 WeakPolarHBondContact O-CD2 3.34Å; R166-Y170 VanDerWaalsContact O-CG 3.25Å; R166-Y170 PolarHBondContact O-N 2.85Å; R166-Y192 WeakPolarHBondContact CA-OH 3.17Å; R166-Y192 HydrophobicContact CG-CE1 4.16Å; R166-Y192 PolarHBondContact NH1-O 3.47Å
167	E	92	Very high	91.8	Very high	90 Å²	90	58.3 Å²	58.3	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-72.3	-37.9	174	-63.8	-58.8	132.8	0	0	111.4	L164 D165 V169 Y170 D171	L164-E167 PolarHBondContact O-N 3.19Å; L164-E167 VanDerWaalsContact O-N 3.17Å; D165-E167 VanDerWaalsContact C-N 3.35Å; D165-E167 PolarHBondContact O-N 3.04Å; E167-V169 VanDerWaalsContact C-N 3.32Å; E167-V169 PolarHBondContact O-N 3.48Å; E167-Y170 WeakPolarHBondContact O-CB 3.32Å; E167-Y170 PolarHBondContact O-N 3.43Å; E167-Y170 VanDerWaalsContact O-N 3.14Å; E167-Y170 WeakPolarHBondContact OE1-CD2 3.36Å; E167-Y170 VanDerWaalsContact OE1-CE2 3.22Å; E167-Y170 WeakPolarHBondContact OE1-CE2 3.44Å; E167-Y170 WeakPolarHBondContact OE2-CD2 3.29Å; E167-D171 PolarHBondContact O-N 3.25Å
168	H	92.4	Very high	91.8	Very high	107 Å²	107	61.9 Å²	61.9	50%	0.495	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-38.5	172	-62.1	140.1	0	0	0	112.7	L164 D165 D171 L172	L164-H168 PolarHBondContact O-N 2.72Å; L164-H168 VanDerWaalsContact O-N 3.16Å; L164-H168 PolarHBondContact O-ND1 3.17Å; D165-H168 WeakPolarHBondContact O-CB 3.4Å; D165-H168 PolarHBondContact O-N 3.18Å; H168-D171 PolarHBondContact O-N 3.37Å; H168-L172 PolarHBondContact O-N 3.1Å
169	V	94.9	Very high	91.9	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-38.2	173.4	169.6	0	0	0	0	111	E156 I157 A160 D165 E167 L172 F173 Y192	E156-V169 HydrophobicContact CB-CG2 4.16Å; I157-V169 HydrophobicContact CD1-CG1 4.47Å; I157-V169 HydrophobicContact CG1-CG1 3.79Å; A160-V169 HydrophobicContact CB-CG2 4.29Å; D165-V169 WeakPolarHBondContact O-CG2 3.31Å; D165-V169 PolarHBondContact O-N 3.32Å; E167-V169 VanDerWaalsContact C-N 3.32Å; E167-V169 PolarHBondContact O-N 3.48Å; V169-L172 WeakPolarHBondContact O-CB 3.37Å; V169-L172 PolarHBondContact O-N 3.12Å; V169-F173 HydrophobicContact CG1-CD2 3.88Å; V169-F173 HydrophobicContact CG1-CE2 3.7Å; V169-F173 VanDerWaalsContact O-CD2 3.25Å; V169-F173 WeakPolarHBondContact O-CD2 3.43Å; V169-F173 PolarHBondContact O-N 3.17Å; V169-Y192 HydrophobicContact CB-CE1 3.95Å; V169-Y192 HydrophobicContact CG1-CD1 3.89Å; V169-Y192 HydrophobicContact CG1-CE1 3.43Å; V169-Y192 VanDerWaalsContact CG1-CE1 3.43Å; V169-Y192 HydrophobicContact CG1-CE2 4.44Å
170	Y	94.6	Very high	92.2	Very high	5 Å²	5	56.9 Å²	56.9	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-43.1	171.3	-63.8	-26.7	0	0	0	112	R166 E167 L172 F173 E174 Y189 Y192 K205	R166-Y170 WeakPolarHBondContact CD-OH 3.46Å; R166-Y170 HydrophobicContact CG-CD2 4.41Å; R166-Y170 HydrophobicContact CG-CE1 4.19Å; R166-Y170 HydrophobicContact CG-CE2 3.73Å; R166-Y170 PolarHBondContact NH1-OH 3.46Å; R166-Y170 WeakPolarHBondContact O-CD2 3.34Å; R166-Y170 VanDerWaalsContact O-CG 3.25Å; R166-Y170 PolarHBondContact O-N 2.85Å; E167-Y170 WeakPolarHBondContact O-CB 3.32Å; E167-Y170 PolarHBondContact O-N 3.43Å; E167-Y170 VanDerWaalsContact O-N 3.14Å; E167-Y170 WeakPolarHBondContact OE1-CD2 3.36Å; E167-Y170 VanDerWaalsContact OE1-CE2 3.22Å; E167-Y170 WeakPolarHBondContact OE1-CE2 3.44Å; E167-Y170 WeakPolarHBondContact OE2-CD2 3.29Å; Y170-L172 PolarHBondContact O-N 3.01Å; Y170-F173 WeakPolarHBondContact O-CB 3.36Å; Y170-F173 PolarHBondContact O-N 3.07Å; Y170-E174 WeakPolarHBondContact O-CG 3.34Å; Y170-E174 PolarHBondContact O-N 3.14Å; Y170-Y189 HydrophobicContact CD1-CD2 4.31Å; Y170-Y189 AromaticContact CD1-CE2 3.59Å; Y170-Y189 HydrophobicContact CD1-CE2 3.59Å; Y170-Y189 HydrophobicContact CE1-CE2 4.2Å; Y170-Y189 HydrophobicContact CG-CE2 4.23Å; Y170-Y192 HydrophobicContact CD1-CD1 4.02Å; Y170-Y192 AromaticContact CD1-CE1 3.98Å; Y170-Y192 HydrophobicContact CD1-CE1 3.98Å; Y170-Y192 AromaticContact CE1-CD1 3.6Å; Y170-Y192 HydrophobicContact CE1-CD1 3.6Å; Y170-Y192 AromaticContact CE1-CE1 3.64Å; Y170-Y192 HydrophobicContact CE1-CE1 3.64Å; Y170-K205 HydrophobicContact CE2-CG 4.43Å
171	D	95.4	Very high	92.4	Very high	107 Å²	107	56.3 Å²	56.3	57%	0.572	28%	0.279	S	S	*	.	H	α-helix	trans	-61.7	-33.1	174.6	-82.9	-20.9	0	0	0	112.3	E167 H168 E174 K175	E167-D171 PolarHBondContact O-N 3.25Å; H168-D171 PolarHBondContact O-N 3.37Å; D171-E174 PolarHBondContact O-N 2.84Å; D171-K175 PolarHBondContact O-N 3.29Å
172	L	95.9	Very high	92.8	Very high	16 Å²	16	47.7 Å²	47.7	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-68.5	-43.4	173.1	-170.3	62.2	0	0	0	112	W149 W152 L153 E156 H168 V169 Y170 E174 K175 A176	W149-L172 HydrophobicContact CZ3-CD1 3.82Å; W152-L172 HydrophobicContact CD2-CD1 3.99Å; W152-L172 HydrophobicContact CD2-CD2 4.14Å; W152-L172 HydrophobicContact CE3-CD1 4.04Å; W152-L172 HydrophobicContact CG-CD2 4.15Å; W152-L172 HydrophobicContact CH2-CD1 3.79Å; W152-L172 HydrophobicContact CZ2-CD1 3.73Å; W152-L172 HydrophobicContact CZ3-CD1 3.95Å; L153-L172 HydrophobicContact CD2-CB 4.24Å; L153-L172 HydrophobicContact CD2-CD2 3.97Å; L153-L172 HydrophobicContact CD2-CG 3.87Å; E156-L172 HydrophobicContact CB-CD2 4.16Å; E156-L172 HydrophobicContact CG-CD2 3.73Å; H168-L172 PolarHBondContact O-N 3.1Å; V169-L172 WeakPolarHBondContact O-CB 3.37Å; V169-L172 PolarHBondContact O-N 3.12Å; Y170-L172 PolarHBondContact O-N 3.01Å; L172-E174 VanDerWaalsContact C-N 3.33Å; L172-E174 PolarHBondContact O-N 3.04Å; L172-K175 WeakPolarHBondContact O-CB 3.37Å; L172-K175 PolarHBondContact O-N 2.83Å; L172-K175 VanDerWaalsContact O-N 3.08Å; L172-A176 PolarHBondContact O-N 3.32Å
173	F	96.8	Very high	93.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.9	-42.5	170	-82.6	-69.7	0	0	0	111.7	L153 I157 V169 Y170 K175 A176 V177 I185 E188 Y189 Y192	L153-F173 HydrophobicContact CD1-CD1 3.77Å; L153-F173 HydrophobicContact CD1-CE1 3.66Å; L153-F173 HydrophobicContact CD1-CZ 4.43Å; L153-F173 HydrophobicContact CD2-CD1 3.7Å; L153-F173 HydrophobicContact CD2-CD2 3.96Å; L153-F173 HydrophobicContact CD2-CE1 3.84Å; L153-F173 HydrophobicContact CD2-CE2 4.07Å; L153-F173 HydrophobicContact CD2-CG 3.77Å; L153-F173 HydrophobicContact CD2-CZ 4.02Å; L153-F173 HydrophobicContact CG-CD1 4.37Å; L153-F173 HydrophobicContact CG-CE1 4.24Å; I157-F173 HydrophobicContact CD1-CE2 4.1Å; I157-F173 HydrophobicContact CD1-CZ 3.92Å; V169-F173 HydrophobicContact CG1-CD2 3.88Å; V169-F173 HydrophobicContact CG1-CE2 3.7Å; V169-F173 VanDerWaalsContact O-CD2 3.25Å; V169-F173 WeakPolarHBondContact O-CD2 3.43Å; V169-F173 PolarHBondContact O-N 3.17Å; Y170-F173 WeakPolarHBondContact O-CB 3.36Å; Y170-F173 PolarHBondContact O-N 3.07Å; F173-K175 PolarHBondContact O-N 3.22Å; F173-A176 PolarHBondContact O-N 2.73Å; F173-A176 VanDerWaalsContact O-N 3.14Å; F173-V177 WeakPolarHBondContact O-CG2 3.45Å; F173-V177 PolarHBondContact O-N 2.96Å; F173-V177 VanDerWaalsContact O-N 3.09Å; F173-I185 HydrophobicContact CD1-CG2 3.91Å; F173-I185 HydrophobicContact CE1-CG2 4.22Å; F173-E188 HydrophobicContact CE1-CB 4.15Å; F173-E188 HydrophobicContact CZ-CB 4.22Å; F173-Y189 HydrophobicContact CB-CD1 3.64Å; F173-Y189 HydrophobicContact CB-CD2 3.96Å; F173-Y189 HydrophobicContact CB-CE1 3.67Å; F173-Y189 HydrophobicContact CB-CE2 4.03Å; F173-Y189 HydrophobicContact CB-CG 3.79Å; F173-Y189 HydrophobicContact CD1-CD1 4.16Å; F173-Y189 HydrophobicContact CD1-CD2 4.26Å; F173-Y189 AromaticContact CD1-CG 3.74Å; F173-Y189 HydrophobicContact CD1-CG 3.74Å; F173-Y189 AromaticContact CD2-CD2 3.67Å; F173-Y189 HydrophobicContact CD2-CD2 3.67Å; F173-Y189 HydrophobicContact CD2-CE2 4.14Å; F173-Y189 HydrophobicContact CD2-CG 4.03Å; F173-Y189 HydrophobicContact CE1-CG 4.25Å; F173-Y189 HydrophobicContact CE2-CD2 4.17Å; F173-Y189 AromaticContact CG-CD1 3.98Å; F173-Y189 HydrophobicContact CG-CD1 3.98Å; F173-Y189 AromaticContact CG-CD2 3.73Å; F173-Y189 HydrophobicContact CG-CD2 3.73Å; F173-Y189 HydrophobicContact CG-CE1 4.41Å; F173-Y189 HydrophobicContact CG-CE2 4.23Å; F173-Y189 AromaticContact CG-CG 3.61Å; F173-Y189 HydrophobicContact CG-CG 3.61Å; F173-Y192 AromaticContact CE2-CD1 3.86Å; F173-Y192 HydrophobicContact CE2-CD1 3.86Å; F173-Y192 HydrophobicContact CE2-CG 4.14Å
174	E	95.8	Very high	94	Very high	42 Å²	42	44.5 Å²	44.5	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-20.6	175.2	-64.9	-55.9	147.6	0	0	113	Y170 D171 L172 K178 Y189 R212	Y170-E174 WeakPolarHBondContact O-CG 3.34Å; Y170-E174 PolarHBondContact O-N 3.14Å; D171-E174 PolarHBondContact O-N 2.84Å; L172-E174 VanDerWaalsContact C-N 3.33Å; L172-E174 PolarHBondContact O-N 3.04Å; E174-K178 VanDerWaalsContact O-CD 3.27Å; E174-K178 WeakPolarHBondContact O-CD 3.49Å; E174-K178 WeakPolarHBondContact O-CE 3.33Å; E174-K178 PolarHBondContact O-NZ 2.89Å; E174-Y189 VanDerWaalsContact OE1-CE1 3.25Å; E174-Y189 WeakPolarHBondContact OE1-CE1 3.27Å; E174-Y189 PolarHBondContact OE1-OH 3.03Å; E174-R212 VanDerWaalsContact CD-NH1 3.29Å; E174-R212 IonicContact OE1-CZ 3.33Å; E174-R212 VanDerWaalsContact OE1-CZ 3.29Å; E174-R212 IonicContact OE1-NH1 3.6Å; E174-R212 PolarHBondContact OE1-NH1 3.25Å; E174-R212 IonicContact OE1-NH2 3.61Å; E174-R212 PolarHBondContact OE1-NH2 2.89Å; E174-R212 IonicContact OE2-CZ 3.63Å; E174-R212 IonicContact OE2-NH1 2.72Å; E174-R212 PolarHBondContact OE2-NH1 2.73Å; E174-R212 IonicContact OE2-NH2 2.77Å
175	K	94.4	Very high	94.4	Very high	88 Å²	88	39.6 Å²	39.6	38%	0.383	19%	0.19	S	C	.	.	H	α-helix	trans	-77.7	-50.7	165.5	-75.6	-173.4	173.5	-171.2	0	111	W149 D171 L172 F173 V177 K178	W149-K175 HydrophobicContact CH2-CB 3.96Å; W149-K175 HydrophobicContact CZ3-CB 4.4Å; D171-K175 PolarHBondContact O-N 3.29Å; L172-K175 WeakPolarHBondContact O-CB 3.37Å; L172-K175 PolarHBondContact O-N 2.83Å; L172-K175 VanDerWaalsContact O-N 3.08Å; F173-K175 PolarHBondContact O-N 3.22Å; K175-V177 VanDerWaalsContact C-N 3.35Å; K175-V177 PolarHBondContact O-N 2.94Å; K175-K178 WeakPolarHBondContact O-CB 3.48Å; K175-K178 PolarHBondContact O-N 3.29Å; K175-K178 VanDerWaalsContact O-N 3.12Å
176	A	95.3	Very high	94.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-56.5	-42.6	-173.2	0	0	0	0	0	113.7	W149 L153 L172 F173 K178 I185	W149-A176 HydrophobicContact CB-CB 4.13Å; W149-A176 HydrophobicContact CD2-CB 3.55Å; W149-A176 HydrophobicContact CE3-CB 3.62Å; W149-A176 HydrophobicContact CG-CB 3.79Å; W149-A176 HydrophobicContact CZ3-CB 4.27Å; L153-A176 HydrophobicContact CD1-CB 4.11Å; L172-A176 PolarHBondContact O-N 3.32Å; F173-A176 PolarHBondContact O-N 2.73Å; F173-A176 VanDerWaalsContact O-N 3.14Å; A176-K178 PolarHBondContact O-N 3.38Å; A176-I185 HydrophobicContact CB-CD1 4.3Å; A176-I185 HydrophobicContact CB-CG2 4.06Å
177	V	95.5	Very high	95	Very high	28 Å²	28	37 Å²	37	17%	0.17	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	3.6	-179	-57.4	0	0	0	0	115	F173 K175 I185 W186	F173-V177 WeakPolarHBondContact O-CG2 3.45Å; F173-V177 PolarHBondContact O-N 2.96Å; F173-V177 VanDerWaalsContact O-N 3.09Å; K175-V177 VanDerWaalsContact C-N 3.35Å; K175-V177 PolarHBondContact O-N 2.94Å; V177-I185 HydrophobicContact CG1-CG2 3.93Å; V177-W186 HydrophobicContact CB-CH2 4.37Å; V177-W186 HydrophobicContact CB-CZ2 3.82Å; V177-W186 HydrophobicContact CG1-CD2 4.1Å; V177-W186 HydrophobicContact CG1-CE3 4.42Å; V177-W186 HydrophobicContact CG1-CH2 4.19Å; V177-W186 HydrophobicContact CG1-CZ2 3.84Å; V177-W186 HydrophobicContact CG1-CZ3 4.46Å; V177-W186 HydrophobicContact CG2-CH2 4.2Å; V177-W186 HydrophobicContact CG2-CZ2 4.04Å
178	K	93.4	Very high	95.2	Very high	121 Å²	121	35.5 Å²	35.5	53%	0.526	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-21.2	-178.8	-67.3	173.7	175.9	131	0	114.5	E174 K175 A176 R388	E174-K178 VanDerWaalsContact O-CD 3.27Å; E174-K178 WeakPolarHBondContact O-CD 3.49Å; E174-K178 WeakPolarHBondContact O-CE 3.33Å; E174-K178 PolarHBondContact O-NZ 2.89Å; K175-K178 WeakPolarHBondContact O-CB 3.48Å; K175-K178 PolarHBondContact O-N 3.29Å; K175-K178 VanDerWaalsContact O-N 3.12Å; A176-K178 PolarHBondContact O-N 3.38Å; K178-R388 WeakPolarHBondContact O-CD 3.27Å; K178-R388 PolarHBondContact O-NE 2.87Å
179	D	91.9	Very high	95.5	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-51.1	-175.8	-78.1	-17.2	0	0	0	111.9	P143 L144 W149 R388 R391	P143-D179 VanDerWaalsContact CA-OD2 3.31Å; P143-D179 WeakPolarHBondContact CA-OD2 3.13Å; P143-D179 HydrophobicContact CB-CB 3.97Å; L144-D179 PolarHBondContact N-OD2 3.45Å; W149-D179 WeakPolarHBondContact CZ2-OD2 3.47Å; W149-D179 PolarHBondContact NE1-OD2 2.91Å; D179-R388 VanDerWaalsContact O-CZ 3.27Å; D179-R388 PolarHBondContact O-NE 2.88Å; D179-R388 PolarHBondContact O-NH2 3.26Å; D179-R391 IonicContact OD1-CZ 2.72Å; D179-R391 VanDerWaalsContact OD1-CZ 3.3Å; D179-R391 IonicContact OD1-NH1 3.29Å; D179-R391 PolarHBondContact OD1-NH1 3.12Å; D179-R391 IonicContact OD1-NH2 3.32Å; D179-R391 PolarHBondContact OD1-NH2 3.06Å; D179-R391 IonicContact OD2-NH2 3.79Å
180	Y	94.1	Very high	95.4	Very high	31 Å²	31	30.2 Å²	30.2	12%	0.122	15%	0.146	C	C	.	.	S	Bend	trans	-145.1	168.9	-177.7	-57.2	-76.6	0	0	0	112.5	P143 L144 C182 C359 N392	P143-Y180 HydrophobicContact CB-CE2 3.82Å; L144-Y180 VanDerWaalsContact O-CD2 3.28Å; L144-Y180 WeakPolarHBondContact O-CD2 3.4Å; L144-Y180 VanDerWaalsContact O-CE2 3.28Å; L144-Y180 WeakPolarHBondContact O-CE2 3.31Å; Y180-C182 PolarHBondContact O-N 3.05Å; Y180-C182 PolarHBondContact O-SG 2.87Å; Y180-C359 HydrophobicContact CE1-CB 3.72Å; Y180-N392 PolarHBondContact OH-OD1 2.99Å
181	I	95.3	Very high	95.3	Very high	17 Å²	17	32.8 Å²	32.8	9%	0.087	16%	0.158	C	C	.	.			trans	-68.3	115.6	168.7	-176	170.9	0	0	0	110.5	V217 L349 E352 R353 V356	I181-V217 HydrophobicContact CD1-CB 4.3Å; I181-V217 HydrophobicContact CD1-CG1 3.76Å; I181-V217 HydrophobicContact CG1-CB 4.4Å; I181-V217 HydrophobicContact CG1-CG1 3.44Å; I181-V217 VanDerWaalsContact CG1-CG1 3.44Å; I181-L349 HydrophobicContact CD1-CD1 3.75Å; I181-E352 HydrophobicContact CB-CB 3.95Å; I181-E352 HydrophobicContact CD1-CB 4.3Å; I181-E352 HydrophobicContact CG2-CB 3.75Å; I181-E352 WeakPolarHBondContact CG2-O 3.28Å; I181-R353 HydrophobicContact CD1-CG 4.45Å; I181-V356 HydrophobicContact CG2-CG2 3.51Å
182	C	95.8	Very high	95.3	Very high	4 Å²	4	29 Å²	29	3%	0.027	14%	0.136	C	C	.	.			trans	-134.6	78.6	-166.7	48.1	0	0	0	0	113.3	E146 Y180 N184 I185 W186	E146-C182 HydrophobicContact CG-CB 4.16Å; E146-C182 WeakPolarHBondContact OE1-CA 3.36Å; E146-C182 WeakPolarHBondContact OE1-CB 3.44Å; Y180-C182 PolarHBondContact O-N 3.05Å; Y180-C182 PolarHBondContact O-SG 2.87Å; C182-N184 PolarHBondContact O-N 3.13Å; C182-I185 HydrophobicContact CB-CB 3.93Å; C182-I185 HydrophobicContact CB-CD1 3.71Å; C182-I185 HydrophobicContact CB-CG1 4.03Å; C182-I185 PolarHBondContact O-N 3.08Å; C182-W186 VanDerWaalsContact O-CD1 3.29Å; C182-W186 PolarHBondContact O-N 2.96Å; C182-W186 VanDerWaalsContact O-N 3.11Å
183	P	95.8	Very high	95.1	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.026	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-29	-178.6	-24.4	36.7	0	0	0	114.5	E146 L187 V217 K223 L227	E146-P183 WeakPolarHBondContact OE1-CD 3.37Å; E146-P183 VanDerWaalsContact OE1-N 3.1Å; P183-L187 WeakPolarHBondContact O-CG 3.12Å; P183-L187 PolarHBondContact O-N 3.41Å; P183-V217 HydrophobicContact CB-CG2 4.04Å; P183-V217 HydrophobicContact CG-CB 4.14Å; P183-V217 HydrophobicContact CG-CG1 4.19Å; P183-V217 HydrophobicContact CG-CG2 4.1Å; P183-K223 HydrophobicContact CB-CB 3.88Å; P183-K223 HydrophobicContact CB-CD 3.97Å; P183-K223 HydrophobicContact CG-CB 3.85Å; P183-K223 HydrophobicContact CG-CD 3.65Å; P183-K223 HydrophobicContact CG-CG 4.41Å; P183-L227 HydrophobicContact CB-CD1 4.3Å
184	N	96.2	Very high	94.9	Very high	65 Å²	65	28.8 Å²	28.8	35%	0.348	14%	0.136	S	C	.	.	H	α-helix	trans	-75.1	-39	179.5	-62.6	-46.8	0	0	0	111.2	E146 L150 C182 W186 L187 E188 K223	E146-N184 VanDerWaalsContact CD-ND2 3.33Å; E146-N184 HydrophobicContact CG-CB 4.22Å; E146-N184 WeakPolarHBondContact OE1-CB 3.43Å; E146-N184 PolarHBondContact OE1-N 3.01Å; E146-N184 PolarHBondContact OE2-ND2 3.37Å; L150-N184 HydrophobicContact CD1-CB 3.93Å; C182-N184 PolarHBondContact O-N 3.13Å; N184-W186 VanDerWaalsContact C-N 3.32Å; N184-W186 PolarHBondContact O-N 2.93Å; N184-L187 WeakPolarHBondContact O-CB 3.48Å; N184-L187 PolarHBondContact O-N 3.4Å; N184-E188 PolarHBondContact O-N 3.22Å; N184-K223 PolarHBondContact ND2-NZ 2.87Å
185	I	97	Very high	94.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-38.4	173.3	-64.6	173.2	0	0	0	110.7	E146 W149 L150 L153 F173 A176 V177 C182 E188 Y189	E146-I185 HydrophobicContact CG-CD1 4.2Å; E146-I185 HydrophobicContact CG-CG1 4.14Å; W149-I185 HydrophobicContact CB-CD1 3.49Å; W149-I185 VanDerWaalsContact CB-CD1 3.49Å; W149-I185 HydrophobicContact CG-CD1 4.18Å; L150-I185 HydrophobicContact CD2-CG1 3.84Å; L150-I185 HydrophobicContact CG-CG1 3.81Å; L153-I185 HydrophobicContact CD1-CG1 4.39Å; L153-I185 HydrophobicContact CD1-CG2 3.94Å; F173-I185 HydrophobicContact CD1-CG2 3.91Å; F173-I185 HydrophobicContact CE1-CG2 4.22Å; A176-I185 HydrophobicContact CB-CD1 4.3Å; A176-I185 HydrophobicContact CB-CG2 4.06Å; V177-I185 HydrophobicContact CG1-CG2 3.93Å; C182-I185 HydrophobicContact CB-CB 3.93Å; C182-I185 HydrophobicContact CB-CD1 3.71Å; C182-I185 HydrophobicContact CB-CG1 4.03Å; C182-I185 PolarHBondContact O-N 3.08Å; I185-E188 PolarHBondContact O-N 2.93Å; I185-Y189 WeakPolarHBondContact O-CB 3.37Å; I185-Y189 PolarHBondContact O-N 3.4Å
186	W	97.6	Very high	94	Very high	13 Å²	13	25.3 Å²	25.3	5%	0.049	14%	0.136	C	C	.	.	H	α-helix	trans	-64.8	-36.1	173.3	-81	118	0	0	0	113.3	V177 C182 N184 Y189 G190 V209 R212 A213 L227	V177-W186 HydrophobicContact CB-CH2 4.37Å; V177-W186 HydrophobicContact CB-CZ2 3.82Å; V177-W186 HydrophobicContact CG1-CD2 4.1Å; V177-W186 HydrophobicContact CG1-CE3 4.42Å; V177-W186 HydrophobicContact CG1-CH2 4.19Å; V177-W186 HydrophobicContact CG1-CZ2 3.84Å; V177-W186 HydrophobicContact CG1-CZ3 4.46Å; V177-W186 HydrophobicContact CG2-CH2 4.2Å; V177-W186 HydrophobicContact CG2-CZ2 4.04Å; C182-W186 VanDerWaalsContact O-CD1 3.29Å; C182-W186 PolarHBondContact O-N 2.96Å; C182-W186 VanDerWaalsContact O-N 3.11Å; N184-W186 VanDerWaalsContact C-N 3.32Å; N184-W186 PolarHBondContact O-N 2.93Å; W186-Y189 HydrophobicContact CE3-CD1 4.16Å; W186-Y189 AromaticContact CZ3-CD1 3.93Å; W186-Y189 HydrophobicContact CZ3-CD1 3.93Å; W186-Y189 HydrophobicContact CZ3-CE1 4.32Å; W186-G190 PolarHBondContact O-N 3.17Å; W186-V209 HydrophobicContact CE3-CG1 4.16Å; W186-V209 HydrophobicContact CZ3-CG1 4.24Å; W186-R212 HydrophobicContact CH2-CB 3.67Å; W186-R212 HydrophobicContact CZ2-CB 4.42Å; W186-R212 HydrophobicContact CZ3-CB 3.95Å; W186-A213 HydrophobicContact CB-CB 3.71Å; W186-A213 HydrophobicContact CD2-CB 3.64Å; W186-A213 HydrophobicContact CE3-CB 3.66Å; W186-A213 HydrophobicContact CG-CB 3.69Å; W186-A213 HydrophobicContact CZ3-CB 4.5Å; W186-L227 HydrophobicContact CB-CD1 4.04Å; W186-L227 HydrophobicContact CB-CD2 4.17Å
187	L	95.6	Very high	93.5	Very high	28 Å²	28	26.7 Å²	26.7	15%	0.147	14%	0.143	C	C	.	.	H	α-helix	trans	-64.8	-48.6	173.5	-79.7	165.9	0	0	0	111.5	P183 N184 G190 Q191 A226 L227 A230	P183-L187 WeakPolarHBondContact O-CG 3.12Å; P183-L187 PolarHBondContact O-N 3.41Å; N184-L187 WeakPolarHBondContact O-CB 3.48Å; N184-L187 PolarHBondContact O-N 3.4Å; L187-G190 PolarHBondContact O-N 2.91Å; L187-Q191 WeakPolarHBondContact O-CG 3.47Å; L187-Q191 PolarHBondContact O-N 3.24Å; L187-A226 HydrophobicContact CD1-CB 4.11Å; L187-L227 HydrophobicContact CD2-CD2 3.65Å; L187-L227 HydrophobicContact CD2-CG 3.81Å; L187-L227 HydrophobicContact CG-CD2 3.79Å; L187-L227 HydrophobicContact CG-CG 3.83Å; L187-A230 HydrophobicContact CD2-CB 3.78Å
188	E	96.4	Very high	92.8	Very high	59 Å²	59	28.8 Å²	28.8	28%	0.276	17%	0.171	S	C	.	.	H	α-helix	trans	-64.3	-38.5	177	-75.7	-54.8	139.8	0	0	112.4	L150 F173 N184 I185 G190 Q191 Y192	L150-E188 HydrophobicContact CD2-CB 4.3Å; L150-E188 HydrophobicContact CD2-CG 3.9Å; F173-E188 HydrophobicContact CE1-CB 4.15Å; F173-E188 HydrophobicContact CZ-CB 4.22Å; N184-E188 PolarHBondContact O-N 3.22Å; I185-E188 PolarHBondContact O-N 2.93Å; E188-G190 VanDerWaalsContact C-N 3.33Å; E188-G190 PolarHBondContact O-N 2.7Å; E188-Q191 PolarHBondContact O-N 2.87Å; E188-Y192 WeakPolarHBondContact O-CB 3.35Å; E188-Y192 PolarHBondContact O-N 2.72Å
189	Y	97	Very high	92.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-42.8	174.4	-164.8	-178.8	0	0	0	110.8	Y170 F173 E174 I185 W186 S193 K205 V209	Y170-Y189 HydrophobicContact CD1-CD2 4.31Å; Y170-Y189 AromaticContact CD1-CE2 3.59Å; Y170-Y189 HydrophobicContact CD1-CE2 3.59Å; Y170-Y189 HydrophobicContact CE1-CE2 4.2Å; Y170-Y189 HydrophobicContact CG-CE2 4.23Å; F173-Y189 HydrophobicContact CB-CD1 3.64Å; F173-Y189 HydrophobicContact CB-CD2 3.96Å; F173-Y189 HydrophobicContact CB-CE1 3.67Å; F173-Y189 HydrophobicContact CB-CE2 4.03Å; F173-Y189 HydrophobicContact CB-CG 3.79Å; F173-Y189 HydrophobicContact CD1-CD1 4.16Å; F173-Y189 HydrophobicContact CD1-CD2 4.26Å; F173-Y189 AromaticContact CD1-CG 3.74Å; F173-Y189 HydrophobicContact CD1-CG 3.74Å; F173-Y189 AromaticContact CD2-CD2 3.67Å; F173-Y189 HydrophobicContact CD2-CD2 3.67Å; F173-Y189 HydrophobicContact CD2-CE2 4.14Å; F173-Y189 HydrophobicContact CD2-CG 4.03Å; F173-Y189 HydrophobicContact CE1-CG 4.25Å; F173-Y189 HydrophobicContact CE2-CD2 4.17Å; F173-Y189 AromaticContact CG-CD1 3.98Å; F173-Y189 HydrophobicContact CG-CD1 3.98Å; F173-Y189 AromaticContact CG-CD2 3.73Å; F173-Y189 HydrophobicContact CG-CD2 3.73Å; F173-Y189 HydrophobicContact CG-CE1 4.41Å; F173-Y189 HydrophobicContact CG-CE2 4.23Å; F173-Y189 AromaticContact CG-CG 3.61Å; F173-Y189 HydrophobicContact CG-CG 3.61Å; E174-Y189 VanDerWaalsContact OE1-CE1 3.25Å; E174-Y189 WeakPolarHBondContact OE1-CE1 3.27Å; E174-Y189 PolarHBondContact OE1-OH 3.03Å; I185-Y189 WeakPolarHBondContact O-CB 3.37Å; I185-Y189 PolarHBondContact O-N 3.4Å; W186-Y189 HydrophobicContact CE3-CD1 4.16Å; W186-Y189 AromaticContact CZ3-CD1 3.93Å; W186-Y189 HydrophobicContact CZ3-CD1 3.93Å; W186-Y189 HydrophobicContact CZ3-CE1 4.32Å; Y189-S193 VanDerWaalsContact O-CB 3.22Å; Y189-S193 WeakPolarHBondContact O-CB 3.4Å; Y189-S193 PolarHBondContact O-N 3.15Å; Y189-S193 PolarHBondContact O-OG 3.31Å; Y189-K205 PolarHBondContact OH-NZ 3.3Å; Y189-V209 HydrophobicContact CD1-CG1 3.81Å; Y189-V209 HydrophobicContact CD1-CG2 4.18Å; Y189-V209 HydrophobicContact CD2-CG1 4.03Å; Y189-V209 HydrophobicContact CD2-CG2 3.88Å; Y189-V209 HydrophobicContact CE1-CG1 4.4Å; Y189-V209 HydrophobicContact CE1-CG2 3.98Å; Y189-V209 HydrophobicContact CE2-CG2 3.62Å; Y189-V209 HydrophobicContact CG-CG1 3.6Å; Y189-V209 HydrophobicContact CG-CG2 4.15Å
190	G	94.2	Very high	92	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-56.9	173.4	0	0	0	0	0	111.5	W186 L187 E188 Y192 S193 V194	W186-G190 PolarHBondContact O-N 3.17Å; L187-G190 PolarHBondContact O-N 2.91Å; E188-G190 VanDerWaalsContact C-N 3.33Å; E188-G190 PolarHBondContact O-N 2.7Å; G190-Y192 PolarHBondContact O-N 2.92Å; G190-S193 PolarHBondContact O-N 2.86Å; G190-S193 PolarHBondContact O-OG 2.92Å; G190-V194 PolarHBondContact O-N 3.37Å
191	Q	92.4	Very high	91.6	Very high	60 Å²	60	38 Å²	38	28%	0.28	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-45.1	-178.8	-68.6	-180	69.8	0	0	112.9	L187 E188 S193 V194 L933	L187-Q191 WeakPolarHBondContact O-CG 3.47Å; L187-Q191 PolarHBondContact O-N 3.24Å; E188-Q191 PolarHBondContact O-N 2.87Å; Q191-S193 VanDerWaalsContact C-N 3.32Å; Q191-S193 PolarHBondContact O-N 3.42Å; Q191-V194 WeakPolarHBondContact O-CB 3.45Å; Q191-V194 PolarHBondContact O-N 3.32Å; Q191-L933 HydrophobicContact CG-CD2 4.07Å
192	Y	94.1	Very high	91.2	Very high	27 Å²	27	37.6 Å²	37.6	11%	0.106	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-38.1	176.7	-177.8	-103.8	0	0	0	111.9	I157 R166 V169 Y170 F173 E188 G190 V194 G195	I157-Y192 HydrophobicContact CB-CD2 4.44Å; I157-Y192 HydrophobicContact CB-CE2 4.31Å; I157-Y192 HydrophobicContact CD1-CD2 3.98Å; I157-Y192 HydrophobicContact CD1-CG 4.21Å; I157-Y192 HydrophobicContact CG1-CD2 3.76Å; I157-Y192 HydrophobicContact CG1-CE2 3.81Å; I157-Y192 HydrophobicContact CG1-CG 4.3Å; I157-Y192 HydrophobicContact CG2-CD2 3.89Å; I157-Y192 HydrophobicContact CG2-CE2 3.92Å; R166-Y192 WeakPolarHBondContact CA-OH 3.17Å; R166-Y192 HydrophobicContact CG-CE1 4.16Å; R166-Y192 PolarHBondContact NH1-O 3.47Å; V169-Y192 HydrophobicContact CB-CE1 3.95Å; V169-Y192 HydrophobicContact CG1-CD1 3.89Å; V169-Y192 HydrophobicContact CG1-CE1 3.43Å; V169-Y192 VanDerWaalsContact CG1-CE1 3.43Å; V169-Y192 HydrophobicContact CG1-CE2 4.44Å; Y170-Y192 HydrophobicContact CD1-CD1 4.02Å; Y170-Y192 AromaticContact CD1-CE1 3.98Å; Y170-Y192 HydrophobicContact CD1-CE1 3.98Å; Y170-Y192 AromaticContact CE1-CD1 3.6Å; Y170-Y192 HydrophobicContact CE1-CD1 3.6Å; Y170-Y192 AromaticContact CE1-CE1 3.64Å; Y170-Y192 HydrophobicContact CE1-CE1 3.64Å; F173-Y192 AromaticContact CE2-CD1 3.86Å; F173-Y192 HydrophobicContact CE2-CD1 3.86Å; F173-Y192 HydrophobicContact CE2-CG 4.14Å; E188-Y192 WeakPolarHBondContact O-CB 3.35Å; E188-Y192 PolarHBondContact O-N 2.72Å; G190-Y192 PolarHBondContact O-N 2.92Å; Y192-V194 VanDerWaalsContact C-N 3.31Å; Y192-V194 PolarHBondContact O-N 2.86Å; Y192-G195 PolarHBondContact O-N 3.37Å
193	S	93.1	Very high	90.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-66.9	-28.4	178.1	74.8	0	0	0	0	113.4	Y189 G190 Q191 G195 G196 V206	Y189-S193 VanDerWaalsContact O-CB 3.22Å; Y189-S193 WeakPolarHBondContact O-CB 3.4Å; Y189-S193 PolarHBondContact O-N 3.15Å; Y189-S193 PolarHBondContact O-OG 3.31Å; G190-S193 PolarHBondContact O-N 2.86Å; G190-S193 PolarHBondContact O-OG 2.92Å; Q191-S193 VanDerWaalsContact C-N 3.32Å; Q191-S193 PolarHBondContact O-N 3.42Å; S193-G195 PolarHBondContact O-N 3.26Å; S193-G196 WeakPolarHBondContact O-CA 3.28Å; S193-G196 PolarHBondContact O-N 3.42Å; S193-V206 WeakPolarHBondContact O-CG2 3.34Å; S193-V206 WeakPolarHBondContact OG-CG2 3.25Å
194	V	91.7	Very high	90.6	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-30.8	173.2	168.9	0	0	0	0	111.4	G190 Q191 Y192 G196 I197 V206 F234 P935	G190-V194 PolarHBondContact O-N 3.37Å; Q191-V194 WeakPolarHBondContact O-CB 3.45Å; Q191-V194 PolarHBondContact O-N 3.32Å; Y192-V194 VanDerWaalsContact C-N 3.31Å; Y192-V194 PolarHBondContact O-N 2.86Å; V194-G196 PolarHBondContact O-N 3.16Å; V194-I197 HydrophobicContact CB-CD1 4.12Å; V194-I197 HydrophobicContact CG1-CD1 3.73Å; V194-I197 HydrophobicContact CG2-CD1 4.36Å; V194-I197 VanDerWaalsContact O-CD1 3.28Å; V194-I197 WeakPolarHBondContact O-CD1 3.34Å; V194-I197 VanDerWaalsContact O-CG1 3.28Å; V194-I197 WeakPolarHBondContact O-CG1 3.47Å; V194-I197 PolarHBondContact O-N 3.02Å; V194-V206 HydrophobicContact CG2-CG1 4.01Å; V194-V206 HydrophobicContact CG2-CG2 4.28Å; V194-F234 HydrophobicContact CG2-CD2 3.95Å; V194-F234 HydrophobicContact CG2-CE2 4.48Å; V194-P935 HydrophobicContact CG1-CG 4.32Å
195	G	87.2	Confident	90.4	Very high	56 Å²	56	44.2 Å²	44.2	58%	0.577	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.4	171.4	0	0	0	0	0	114.5	Y192 S193	Y192-G195 PolarHBondContact O-N 3.37Å; S193-G195 PolarHBondContact O-N 3.26Å
196	G	84.9	Confident	90.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.9	179.9	0	0	0	0	0	115.6	S193 V194 G198 Q199	S193-G196 WeakPolarHBondContact O-CA 3.28Å; S193-G196 PolarHBondContact O-N 3.42Å; V194-G196 PolarHBondContact O-N 3.16Å; G196-G198 PolarHBondContact O-N 3.43Å; G196-Q199 WeakPolarHBondContact O-CB 3.45Å; G196-Q199 PolarHBondContact O-N 3.16Å
197	I	85.2	Confident	90.1	Very high	29 Å²	29	45.6 Å²	45.6	15%	0.149	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.3	-171.8	-69.5	164.4	0	0	0	113.8	V194 Q199 L203 V206 F234 P935	V194-I197 HydrophobicContact CB-CD1 4.12Å; V194-I197 HydrophobicContact CG1-CD1 3.73Å; V194-I197 HydrophobicContact CG2-CD1 4.36Å; V194-I197 VanDerWaalsContact O-CD1 3.28Å; V194-I197 WeakPolarHBondContact O-CD1 3.34Å; V194-I197 VanDerWaalsContact O-CG1 3.28Å; V194-I197 WeakPolarHBondContact O-CG1 3.47Å; V194-I197 PolarHBondContact O-N 3.02Å; I197-Q199 PolarHBondContact O-N 2.95Å; I197-L203 HydrophobicContact CG2-CD1 4.36Å; I197-V206 HydrophobicContact CD1-CG2 4.3Å; I197-V206 HydrophobicContact CG1-CG2 3.9Å; I197-F234 HydrophobicContact CD1-CD2 4.31Å; I197-F234 HydrophobicContact CD1-CE2 3.61Å; I197-P935 HydrophobicContact CD1-CG 3.84Å
198	G	79.2	Confident	90.1	Very high	73 Å²	73	47.2 Å²	47.2	75%	0.753	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-11.5	175.3	0	0	0	0	0	114.8	G196	G196-G198 PolarHBondContact O-N 3.43Å
199	Q	84.3	Confident	90.1	Very high	89 Å²	89	44.4 Å²	44.4	42%	0.416	26%	0.257	S	S	.	.	S	Bend	trans	-93.2	152.9	179	-61.1	172.8	-31.7	0	0	111	G196 I197 G201 G202	G196-Q199 WeakPolarHBondContact O-CB 3.45Å; G196-Q199 PolarHBondContact O-N 3.16Å; I197-Q199 PolarHBondContact O-N 2.95Å; Q199-G201 PolarHBondContact O-N 3.41Å; Q199-G201 VanDerWaalsContact O-N 3.11Å; Q199-G202 PolarHBondContact O-N 3.19Å
200	K	85	Confident	90.1	Very high	223 Å²	223	44.4 Å²	44.4	97%	0.97	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	112.4	-177.9	-176.9	-173.6	176.6	-173	0	110.9
201	G	85.8	Confident	90.2	Very high	38 Å²	38	47.6 Å²	47.6	39%	0.392	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	2	-176.7	0	0	0	0	0	114.7	Q199 L203 E204 K205	Q199-G201 PolarHBondContact O-N 3.41Å; Q199-G201 VanDerWaalsContact O-N 3.11Å; G201-L203 VanDerWaalsContact C-N 3.33Å; G201-L203 PolarHBondContact O-N 2.93Å; G201-E204 WeakPolarHBondContact CA-OE2 3.28Å; G201-E204 PolarHBondContact O-N 3.45Å; G201-K205 PolarHBondContact O-N 3.01Å
202	G	86.9	Confident	90.4	Very high	8 Å²	8	48.2 Å²	48.2	8%	0.082	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-36.3	-178.6	0	0	0	0	0	113.5	Q199 E204 K205 V206	Q199-G202 PolarHBondContact O-N 3.19Å; G202-E204 PolarHBondContact O-N 3.28Å; G202-K205 PolarHBondContact O-N 3.03Å; G202-V206 WeakPolarHBondContact O-CG2 3.32Å; G202-V206 PolarHBondContact O-N 3.41Å
203	L	87.9	Confident	90.5	Very high	43 Å²	43	47 Å²	47	23%	0.225	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-39.1	178.8	-164.9	75.2	0	0	0	111.8	I197 G201 R207 F234 I238	I197-L203 HydrophobicContact CG2-CD1 4.36Å; G201-L203 VanDerWaalsContact C-N 3.33Å; G201-L203 PolarHBondContact O-N 2.93Å; L203-R207 VanDerWaalsContact CD2-NH1 3.26Å; L203-R207 WeakPolarHBondContact O-CG 3.28Å; L203-R207 PolarHBondContact O-N 3.29Å; L203-F234 HydrophobicContact CD1-CE2 4.24Å; L203-F234 HydrophobicContact CD1-CZ 3.75Å; L203-I238 HydrophobicContact CD1-CD1 4.18Å; L203-I238 HydrophobicContact CD1-CG1 4.3Å
204	E	90.7	Very high	90.7	Very high	111 Å²	111	47.5 Å²	47.5	52%	0.519	27%	0.269	S	S	.	.	H	α-helix	trans	-71.3	-36.5	175.8	-65.5	64.5	-139.7	0	0	111.5	G201 G202 S208	G201-E204 WeakPolarHBondContact CA-OE2 3.28Å; G201-E204 PolarHBondContact O-N 3.45Å; G202-E204 PolarHBondContact O-N 3.28Å; E204-S208 VanDerWaalsContact O-CB 3.28Å; E204-S208 WeakPolarHBondContact O-CB 3.41Å; E204-S208 PolarHBondContact O-N 3.32Å
205	K	92.4	Very high	90.8	Very high	58 Å²	58	51.8 Å²	51.8	25%	0.252	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-47.7	173.2	179.7	79.8	179.3	-162.2	0	111.2	Y170 Y189 G201 G202 R207 S208 V209	Y170-K205 HydrophobicContact CE2-CG 4.43Å; Y189-K205 PolarHBondContact OH-NZ 3.3Å; G201-K205 PolarHBondContact O-N 3.01Å; G202-K205 PolarHBondContact O-N 3.03Å; K205-R207 PolarHBondContact O-N 3.18Å; K205-S208 WeakPolarHBondContact O-CB 3.38Å; K205-S208 PolarHBondContact O-N 2.9Å; K205-V209 WeakPolarHBondContact O-CG2 3.41Å; K205-V209 PolarHBondContact O-N 3.16Å
206	V	94.3	Very high	91.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-56.7	-49.9	177.4	175.5	0	0	0	0	111.1	S193 V194 I197 G202 S208 V209 F210 F234	S193-V206 WeakPolarHBondContact O-CG2 3.34Å; S193-V206 WeakPolarHBondContact OG-CG2 3.25Å; V194-V206 HydrophobicContact CG2-CG1 4.01Å; V194-V206 HydrophobicContact CG2-CG2 4.28Å; I197-V206 HydrophobicContact CD1-CG2 4.3Å; I197-V206 HydrophobicContact CG1-CG2 3.9Å; G202-V206 WeakPolarHBondContact O-CG2 3.32Å; G202-V206 PolarHBondContact O-N 3.41Å; V206-S208 VanDerWaalsContact C-N 3.34Å; V206-S208 PolarHBondContact O-N 3.07Å; V206-V209 PolarHBondContact O-N 2.87Å; V206-V209 VanDerWaalsContact O-N 3.16Å; V206-F210 HydrophobicContact CG1-CD2 3.72Å; V206-F210 HydrophobicContact CG1-CE2 3.69Å; V206-F210 WeakPolarHBondContact O-CD2 3.43Å; V206-F210 PolarHBondContact O-N 3.18Å; V206-F234 HydrophobicContact CB-CE1 4.34Å; V206-F234 HydrophobicContact CB-CE2 4.44Å; V206-F234 HydrophobicContact CB-CZ 4.01Å; V206-F234 HydrophobicContact CG1-CD1 3.85Å; V206-F234 HydrophobicContact CG1-CD2 4.05Å; V206-F234 HydrophobicContact CG1-CE1 3.57Å; V206-F234 HydrophobicContact CG1-CE2 3.8Å; V206-F234 HydrophobicContact CG1-CG 4.07Å; V206-F234 HydrophobicContact CG1-CZ 3.54Å
207	R	94.4	Very high	91.6	Very high	43 Å²	43	51.7 Å²	51.7	16%	0.162	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-42	176.7	-71.7	171.5	171.5	143.7	6.3	112.4	L203 K205 V209 F210 E211 Y231 F234 E235	L203-R207 VanDerWaalsContact CD2-NH1 3.26Å; L203-R207 WeakPolarHBondContact O-CG 3.28Å; L203-R207 PolarHBondContact O-N 3.29Å; K205-R207 PolarHBondContact O-N 3.18Å; R207-V209 VanDerWaalsContact C-N 3.31Å; R207-V209 PolarHBondContact O-N 3.21Å; R207-F210 PolarHBondContact O-N 2.82Å; R207-E211 WeakPolarHBondContact O-CB 3.42Å; R207-E211 WeakPolarHBondContact O-CG 3.25Å; R207-E211 PolarHBondContact O-N 3.05Å; R207-Y231 HydrophobicContact CG-CE2 4.31Å; R207-F234 HydrophobicContact CG-CE1 4.21Å; R207-E235 WeakPolarHBondContact CG-OE1 3.46Å; R207-E235 IonicContact CZ-OE1 2.93Å; R207-E235 IonicContact CZ-OE2 2.72Å; R207-E235 IonicContact NE-OE1 2.71Å; R207-E235 PolarHBondContact NE-OE1 3.05Å; R207-E235 IonicContact NE-OE2 3.7Å; R207-E235 IonicContact NH2-OE1 3.55Å; R207-E235 PolarHBondContact NH2-OE1 2.99Å; R207-E235 IonicContact NH2-OE2 2.69Å; R207-E235 PolarHBondContact NH2-OE2 3.11Å
208	S	96.1	Very high	92.1	Very high	61 Å²	61	50.3 Å²	50.3	43%	0.427	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-30.9	176.6	-175.4	0	0	0	0	113.2	E204 K205 V206 R212	E204-S208 VanDerWaalsContact O-CB 3.28Å; E204-S208 WeakPolarHBondContact O-CB 3.41Å; E204-S208 PolarHBondContact O-N 3.32Å; K205-S208 WeakPolarHBondContact O-CB 3.38Å; K205-S208 PolarHBondContact O-N 2.9Å; V206-S208 VanDerWaalsContact C-N 3.34Å; V206-S208 PolarHBondContact O-N 3.07Å; S208-R212 WeakPolarHBondContact O-CB 3.43Å; S208-R212 VanDerWaalsContact O-CG 3.25Å; S208-R212 WeakPolarHBondContact O-CG 3.46Å; S208-R212 PolarHBondContact O-N 3.41Å; S208-R212 PolarHBondContact O-NE 3.09Å; S208-R212 VanDerWaalsContact O-NE 3.16Å
209	V	96.3	Very high	92.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.7	-51.9	171.8	173.7	0	0	0	0	110.5	W186 Y189 K205 V206 R207 R212 A213	W186-V209 HydrophobicContact CE3-CG1 4.16Å; W186-V209 HydrophobicContact CZ3-CG1 4.24Å; Y189-V209 HydrophobicContact CD1-CG1 3.81Å; Y189-V209 HydrophobicContact CD1-CG2 4.18Å; Y189-V209 HydrophobicContact CD2-CG1 4.03Å; Y189-V209 HydrophobicContact CD2-CG2 3.88Å; Y189-V209 HydrophobicContact CE1-CG1 4.4Å; Y189-V209 HydrophobicContact CE1-CG2 3.98Å; Y189-V209 HydrophobicContact CE2-CG2 3.62Å; Y189-V209 HydrophobicContact CG-CG1 3.6Å; Y189-V209 HydrophobicContact CG-CG2 4.15Å; K205-V209 WeakPolarHBondContact O-CG2 3.41Å; K205-V209 PolarHBondContact O-N 3.16Å; V206-V209 PolarHBondContact O-N 2.87Å; V206-V209 VanDerWaalsContact O-N 3.16Å; R207-V209 VanDerWaalsContact C-N 3.31Å; R207-V209 PolarHBondContact O-N 3.21Å; V209-R212 PolarHBondContact O-N 2.89Å; V209-A213 WeakPolarHBondContact O-CB 3.28Å; V209-A213 PolarHBondContact O-N 2.72Å
210	F	96.7	Very high	93.5	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-41.1	-179.1	-78.1	-65	0	0	0	113.7	V206 R207 R212 A213 L214 L227 A230 Y231 F234	V206-F210 HydrophobicContact CG1-CD2 3.72Å; V206-F210 HydrophobicContact CG1-CE2 3.69Å; V206-F210 WeakPolarHBondContact O-CD2 3.43Å; V206-F210 PolarHBondContact O-N 3.18Å; R207-F210 PolarHBondContact O-N 2.82Å; F210-R212 VanDerWaalsContact C-N 3.32Å; F210-R212 PolarHBondContact O-N 3.21Å; F210-A213 WeakPolarHBondContact O-CB 3.25Å; F210-A213 PolarHBondContact O-N 3.35Å; F210-L214 WeakPolarHBondContact O-CG 3.34Å; F210-L214 PolarHBondContact O-N 2.67Å; F210-L227 HydrophobicContact CD1-CD2 4.26Å; F210-L227 HydrophobicContact CE1-CD2 4.29Å; F210-A230 HydrophobicContact CE1-CB 3.95Å; F210-A230 HydrophobicContact CZ-CB 4.23Å; F210-Y231 HydrophobicContact CB-CD1 3.66Å; F210-Y231 HydrophobicContact CB-CD2 3.68Å; F210-Y231 HydrophobicContact CB-CE1 3.86Å; F210-Y231 HydrophobicContact CB-CE2 3.9Å; F210-Y231 HydrophobicContact CB-CG 3.58Å; F210-Y231 HydrophobicContact CD1-CG 4.17Å; F210-Y231 AromaticContact CD2-CD2 3.64Å; F210-Y231 HydrophobicContact CD2-CD2 3.64Å; F210-Y231 HydrophobicContact CD2-CE2 4.19Å; F210-Y231 HydrophobicContact CD2-CG 4.12Å; F210-Y231 HydrophobicContact CE2-CD2 4.39Å; F210-Y231 HydrophobicContact CG-CD1 4.3Å; F210-Y231 AromaticContact CG-CD2 3.72Å; F210-Y231 HydrophobicContact CG-CD2 3.72Å; F210-Y231 HydrophobicContact CG-CE2 4.33Å; F210-Y231 AromaticContact CG-CG 3.73Å; F210-Y231 HydrophobicContact CG-CG 3.73Å; F210-F234 HydrophobicContact CD2-CD1 4.47Å; F210-F234 HydrophobicContact CE2-CB 4.3Å; F210-F234 HydrophobicContact CE2-CD1 4.39Å; F210-F234 HydrophobicContact CE2-CG 4.39Å
211	E	96.8	Very high	93.9	Very high	66 Å²	66	35.1 Å²	35.1	31%	0.308	20%	0.198	S	C	.	.	H	α-helix	trans	-64.9	-35.5	176.8	-70	-66.8	168.3	0	0	111.9	R207 S215 Y231 R271	R207-E211 WeakPolarHBondContact O-CB 3.42Å; R207-E211 WeakPolarHBondContact O-CG 3.25Å; R207-E211 PolarHBondContact O-N 3.05Å; E211-S215 WeakPolarHBondContact O-CB 3.37Å; E211-S215 PolarHBondContact O-N 2.97Å; E211-Y231 HydrophobicContact CG-CE1 4.23Å; E211-Y231 WeakPolarHBondContact OE1-CE1 3.47Å; E211-Y231 PolarHBondContact OE1-OH 3.15Å; E211-Y231 VanDerWaalsContact OE1-OH 3.1Å; E211-R271 IonicContact OE1-CZ 3.17Å; E211-R271 IonicContact OE1-NH1 3.28Å; E211-R271 PolarHBondContact OE1-NH1 3.2Å; E211-R271 IonicContact OE1-NH2 3.34Å; E211-R271 IonicContact OE2-CZ 3.08Å; E211-R271 IonicContact OE2-NH1 2.66Å; E211-R271 PolarHBondContact OE2-NH1 2.88Å; E211-R271 IonicContact OE2-NH2 2.72Å; E211-R271 PolarHBondContact OE2-NH2 3.29Å
212	R	96.5	Very high	94.1	Very high	74 Å²	74	37 Å²	37	28%	0.279	20%	0.202	S	C	.	.	H	α-helix	trans	-68.2	-43.8	172.1	-74	-173.4	-56.6	149	1.4	112	E174 W186 S208 V209 F210 L214 S215 S216	E174-R212 VanDerWaalsContact CD-NH1 3.29Å; E174-R212 IonicContact OE1-CZ 3.33Å; E174-R212 VanDerWaalsContact OE1-CZ 3.29Å; E174-R212 IonicContact OE1-NH1 3.6Å; E174-R212 PolarHBondContact OE1-NH1 3.25Å; E174-R212 IonicContact OE1-NH2 3.61Å; E174-R212 PolarHBondContact OE1-NH2 2.89Å; E174-R212 IonicContact OE2-CZ 3.63Å; E174-R212 IonicContact OE2-NH1 2.72Å; E174-R212 PolarHBondContact OE2-NH1 2.73Å; E174-R212 IonicContact OE2-NH2 2.77Å; W186-R212 HydrophobicContact CH2-CB 3.67Å; W186-R212 HydrophobicContact CZ2-CB 4.42Å; W186-R212 HydrophobicContact CZ3-CB 3.95Å; S208-R212 WeakPolarHBondContact O-CB 3.43Å; S208-R212 VanDerWaalsContact O-CG 3.25Å; S208-R212 WeakPolarHBondContact O-CG 3.46Å; S208-R212 PolarHBondContact O-N 3.41Å; S208-R212 PolarHBondContact O-NE 3.09Å; S208-R212 VanDerWaalsContact O-NE 3.16Å; V209-R212 PolarHBondContact O-N 2.89Å; F210-R212 VanDerWaalsContact C-N 3.32Å; F210-R212 PolarHBondContact O-N 3.21Å; R212-L214 VanDerWaalsContact C-N 3.33Å; R212-L214 PolarHBondContact O-N 3.32Å; R212-S215 WeakPolarHBondContact CA-OG 3.28Å; R212-S215 PolarHBondContact O-N 3.21Å; R212-S215 VanDerWaalsContact O-N 3.15Å; R212-S215 PolarHBondContact O-OG 2.98Å; R212-S216 WeakPolarHBondContact O-CB 3.28Å; R212-S216 PolarHBondContact O-N 3.3Å
213	A	96.1	Very high	94.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-54.8	-48.3	173.3	0	0	0	0	0	111.4	W186 V209 F210 S215 S216 V217 L227	W186-A213 HydrophobicContact CB-CB 3.71Å; W186-A213 HydrophobicContact CD2-CB 3.64Å; W186-A213 HydrophobicContact CE3-CB 3.66Å; W186-A213 HydrophobicContact CG-CB 3.69Å; W186-A213 HydrophobicContact CZ3-CB 4.5Å; V209-A213 WeakPolarHBondContact O-CB 3.28Å; V209-A213 PolarHBondContact O-N 2.72Å; F210-A213 WeakPolarHBondContact O-CB 3.25Å; F210-A213 PolarHBondContact O-N 3.35Å; A213-S215 PolarHBondContact O-N 3.28Å; A213-S216 PolarHBondContact O-N 3.36Å; A213-V217 PolarHBondContact O-N 3.01Å; A213-L227 HydrophobicContact CB-CD1 4.26Å; A213-L227 HydrophobicContact CB-CD2 3.93Å
214	L	96.1	Very high	94.8	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-36.9	176.8	-69.1	-175.6	0	0	0	112.8	F210 R212 S216 G218 L227 W228 Y231	F210-L214 WeakPolarHBondContact O-CG 3.34Å; F210-L214 PolarHBondContact O-N 2.67Å; R212-L214 VanDerWaalsContact C-N 3.33Å; R212-L214 PolarHBondContact O-N 3.32Å; L214-S216 VanDerWaalsContact C-N 3.26Å; L214-S216 PolarHBondContact O-N 3.47Å; L214-G218 VanDerWaalsContact O-CA 3.28Å; L214-G218 WeakPolarHBondContact O-CA 3.35Å; L214-G218 PolarHBondContact O-N 3.48Å; L214-L227 HydrophobicContact CD2-CB 4.19Å; L214-W228 HydrophobicContact CD1-CD2 4.01Å; L214-W228 HydrophobicContact CD1-CE3 3.69Å; L214-W228 HydrophobicContact CD1-CH2 3.7Å; L214-W228 HydrophobicContact CD1-CZ2 4.01Å; L214-W228 HydrophobicContact CD1-CZ3 3.55Å; L214-W228 HydrophobicContact CD2-CD2 3.66Å; L214-W228 HydrophobicContact CD2-CE3 4.23Å; L214-W228 HydrophobicContact CD2-CG 3.9Å; L214-W228 HydrophobicContact CD2-CZ2 3.99Å; L214-W228 HydrophobicContact CG-CD2 4.5Å; L214-W228 HydrophobicContact CG-CZ2 4.43Å; L214-Y231 HydrophobicContact CD1-CD1 3.73Å; L214-Y231 HydrophobicContact CD1-CE1 4.14Å
215	S	95.1	Very high	95	Very high	101 Å²	101	34.6 Å²	34.6	71%	0.706	19%	0.186	S	C	*	.	H	α-helix	trans	-65.9	-28.3	174.6	78	0	0	0	0	113.4	E211 R212 A213	E211-S215 WeakPolarHBondContact O-CB 3.37Å; E211-S215 PolarHBondContact O-N 2.97Å; R212-S215 WeakPolarHBondContact CA-OG 3.28Å; R212-S215 PolarHBondContact O-N 3.21Å; R212-S215 VanDerWaalsContact O-N 3.15Å; R212-S215 PolarHBondContact O-OG 2.98Å; A213-S215 PolarHBondContact O-N 3.28Å
216	S	93.5	Very high	95.1	Very high	55 Å²	55	33.7 Å²	33.7	39%	0.385	19%	0.19	S	C	.	.	H	α-helix	trans	-88.2	-46.9	179.8	-179.1	0	0	0	0	112.8	R212 A213 L214	R212-S216 WeakPolarHBondContact O-CB 3.28Å; R212-S216 PolarHBondContact O-N 3.3Å; A213-S216 PolarHBondContact O-N 3.36Å; L214-S216 VanDerWaalsContact C-N 3.26Å; L214-S216 PolarHBondContact O-N 3.47Å
217	V	95.1	Very high	95.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-133.1	-0.3	-167.7	-38.8	0	0	0	0	114.4	I181 P183 A213 L219 H220 L227	I181-V217 HydrophobicContact CD1-CB 4.3Å; I181-V217 HydrophobicContact CD1-CG1 3.76Å; I181-V217 HydrophobicContact CG1-CB 4.4Å; I181-V217 HydrophobicContact CG1-CG1 3.44Å; I181-V217 VanDerWaalsContact CG1-CG1 3.44Å; P183-V217 HydrophobicContact CB-CG2 4.04Å; P183-V217 HydrophobicContact CG-CB 4.14Å; P183-V217 HydrophobicContact CG-CG1 4.19Å; P183-V217 HydrophobicContact CG-CG2 4.1Å; A213-V217 PolarHBondContact O-N 3.01Å; V217-L219 PolarHBondContact O-N 3.15Å; V217-H220 HydrophobicContact CB-CB 4.48Å; V217-H220 WeakPolarHBondContact O-CB 3.25Å; V217-H220 PolarHBondContact O-N 3.2Å; V217-L227 HydrophobicContact CG2-CD1 3.18Å
218	G	95	Very high	95.3	Very high	1 Å²	1	32 Å²	32	1%	0.01	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-10.7	-179.8	0	0	0	0	0	114.9	L214 W228	L214-G218 VanDerWaalsContact O-CA 3.28Å; L214-G218 WeakPolarHBondContact O-CA 3.35Å; L214-G218 PolarHBondContact O-N 3.48Å; G218-W228 PolarHBondContact O-NE1 3.16Å
219	L	96.1	Very high	95.3	Very high	48 Å²	48	32.5 Å²	32.5	25%	0.251	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-0.5	171.6	-60.6	179.8	0	0	0	113.4	V217 M221 I275 A345 R346 L349	V217-L219 PolarHBondContact O-N 3.15Å; L219-M221 PolarHBondContact O-N 3.44Å; L219-I275 HydrophobicContact CD2-CD1 4.02Å; L219-I275 HydrophobicContact CD2-CG1 4.05Å; L219-I275 HydrophobicContact CD2-CG2 3.64Å; L219-A345 HydrophobicContact CD1-CB 3.78Å; L219-R346 HydrophobicContact CD1-CG 4.32Å; L219-L349 HydrophobicContact CB-CD2 3.85Å; L219-L349 VanDerWaalsContact O-CD2 3.25Å; L219-L349 WeakPolarHBondContact O-CD2 3.47Å
220	H	96.2	Very high	95.2	Very high	17 Å²	17	32.9 Å²	32.9	8%	0.079	18%	0.182	C	C	.	.			trans	-75.4	105.3	-174.5	-172.3	-51.7	0	0	0	111.5	V217 T222 K223 G224 L349 R353	V217-H220 HydrophobicContact CB-CB 4.48Å; V217-H220 WeakPolarHBondContact O-CB 3.25Å; V217-H220 PolarHBondContact O-N 3.2Å; H220-T222 VanDerWaalsContact C-N 3.32Å; H220-T222 PolarHBondContact CE1-OG1 2.81Å; H220-T222 VanDerWaalsContact CE1-OG1 3.28Å; H220-T222 PolarHBondContact ND1-N 2.83Å; H220-T222 PolarHBondContact O-N 3.39Å; H220-K223 PolarHBondContact ND1-N 2.93Å; H220-K223 VanDerWaalsContact ND1-N 3.2Å; H220-K223 PolarHBondContact O-N 2.8Å; H220-G224 WeakPolarHBondContact O-CA 3.29Å; H220-G224 PolarHBondContact O-N 3.49Å; H220-L349 HydrophobicContact CB-CD1 4.08Å; H220-R353 PolarHBondContact NE2-NE 3.35Å
221	M	93.3	Very high	95.2	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-33.4	-52.1	-175.5	-74.5	-73.3	171.8	0	0	116.5	L219 P276 Y278 L310 Y313 E317	L219-M221 PolarHBondContact O-N 3.44Å; M221-P276 HydrophobicContact CE-CB 3.81Å; M221-P276 HydrophobicContact CE-CG 3.8Å; M221-P276 HydrophobicContact SD-CB 4.42Å; M221-Y278 HydrophobicContact CB-CD2 4.16Å; M221-Y278 HydrophobicContact CB-CE2 4.35Å; M221-Y278 PolarHBondContact O-N 3.29Å; M221-L310 HydrophobicContact SD-CD1 3.75Å; M221-Y313 HydrophobicContact CE-CD2 3.33Å; M221-Y313 HydrophobicContact CE-CE2 4.16Å; M221-Y313 HydrophobicContact CE-CG 3.64Å; M221-E317 HydrophobicContact CB-CG 4.27Å; M221-E317 HydrophobicContact CG-CG 4.1Å; M221-E317 VanDerWaalsContact CG-OE1 3.27Å; M221-E317 WeakPolarHBondContact CG-OE1 3.48Å
222	T	91.8	Very high	95.1	Very high	78 Å²	78	30.6 Å²	30.6	48%	0.479	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-51.7	-178.4	54.3	0	0	0	0	114.7	H220 Y278	H220-T222 VanDerWaalsContact C-N 3.32Å; H220-T222 PolarHBondContact CE1-OG1 2.81Å; H220-T222 VanDerWaalsContact CE1-OG1 3.28Å; H220-T222 PolarHBondContact ND1-N 2.83Å; H220-T222 PolarHBondContact O-N 3.39Å; T222-Y278 HydrophobicContact CG2-CD2 4.14Å; T222-Y278 HydrophobicContact CG2-CE2 4.44Å; T222-Y278 HydrophobicContact CG2-CG 4.45Å
223	K	93.6	Very high	94.9	Very high	82 Å²	82	30.2 Å²	30.2	36%	0.357	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-16	-177.4	-69.9	-170.9	170.7	-170.6	0	115.3	E146 P183 N184 H220	E146-K223 IonicContact OE2-NZ 3.48Å; E146-K223 PolarHBondContact OE2-NZ 3.04Å; P183-K223 HydrophobicContact CB-CB 3.88Å; P183-K223 HydrophobicContact CB-CD 3.97Å; P183-K223 HydrophobicContact CG-CB 3.85Å; P183-K223 HydrophobicContact CG-CD 3.65Å; P183-K223 HydrophobicContact CG-CG 4.41Å; N184-K223 PolarHBondContact ND2-NZ 2.87Å; H220-K223 PolarHBondContact ND1-N 2.93Å; H220-K223 VanDerWaalsContact ND1-N 3.2Å; H220-K223 PolarHBondContact O-N 2.8Å
224	G	94.1	Very high	94.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-74	-30.5	-173	0	0	0	0	0	114.3	H220 A226 L227 W228	H220-G224 WeakPolarHBondContact O-CA 3.29Å; H220-G224 PolarHBondContact O-N 3.49Å; G224-A226 PolarHBondContact O-N 3.38Å; G224-L227 PolarHBondContact O-N 3.19Å; G224-W228 VanDerWaalsContact O-CD1 3.28Å; G224-W228 PolarHBondContact O-N 2.98Å
225	L	95.3	Very high	94.6	Very high	28 Å²	28	29.8 Å²	29.8	15%	0.147	17%	0.17	C	C	.	.	H	α-helix	trans	-53.6	-49.7	179.7	174.1	59.2	0	0	0	112.1	L227 W228 E229	L225-L227 PolarHBondContact O-N 2.91Å; L225-L227 VanDerWaalsContact O-N 3.13Å; L225-W228 WeakPolarHBondContact O-CB 3.39Å; L225-W228 PolarHBondContact O-N 3.01Å; L225-E229 HydrophobicContact CD1-CG 4.05Å; L225-E229 WeakPolarHBondContact CD1-OE1 3.5Å; L225-E229 HydrophobicContact CG-CG 4.36Å; L225-E229 WeakPolarHBondContact O-CG 3.38Å; L225-E229 PolarHBondContact O-N 2.91Å
226	A	95.4	Very high	94.3	Very high	39 Å²	39	26.5 Å²	26.5	32%	0.322	15%	0.147	S	C	.	.	H	α-helix	trans	-58.4	-29.4	-177.9	0	0	0	0	0	114	L187 G224 A230	L187-A226 HydrophobicContact CD1-CB 4.11Å; G224-A226 PolarHBondContact O-N 3.38Å; A226-A230 VanDerWaalsContact O-CB 3.32Å; A226-A230 WeakPolarHBondContact O-CB 3.5Å; A226-A230 PolarHBondContact O-N 3Å
227	L	95.8	Very high	94.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-79.1	-33.5	176.2	-85	160.5	0	0	0	112.9	P183 W186 L187 F210 A213 L214 V217 G224 L225 E229 Y231	P183-L227 HydrophobicContact CB-CD1 4.3Å; W186-L227 HydrophobicContact CB-CD1 4.04Å; W186-L227 HydrophobicContact CB-CD2 4.17Å; L187-L227 HydrophobicContact CD2-CD2 3.65Å; L187-L227 HydrophobicContact CD2-CG 3.81Å; L187-L227 HydrophobicContact CG-CD2 3.79Å; L187-L227 HydrophobicContact CG-CG 3.83Å; F210-L227 HydrophobicContact CD1-CD2 4.26Å; F210-L227 HydrophobicContact CE1-CD2 4.29Å; A213-L227 HydrophobicContact CB-CD1 4.26Å; A213-L227 HydrophobicContact CB-CD2 3.93Å; L214-L227 HydrophobicContact CD2-CB 4.19Å; V217-L227 HydrophobicContact CG2-CD1 3.18Å; G224-L227 PolarHBondContact O-N 3.19Å; L225-L227 PolarHBondContact O-N 2.91Å; L225-L227 VanDerWaalsContact O-N 3.13Å; L227-E229 VanDerWaalsContact C-N 3.33Å; L227-Y231 WeakPolarHBondContact O-CB 3.4Å; L227-Y231 PolarHBondContact O-N 3.25Å
228	W	96.8	Very high	93.6	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.027	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-39.3	168.5	-70.6	102	0	0	0	111.1	L214 G218 G224 L225 R232 L268 R271 Q272 I275	L214-W228 HydrophobicContact CD1-CD2 4.01Å; L214-W228 HydrophobicContact CD1-CE3 3.69Å; L214-W228 HydrophobicContact CD1-CH2 3.7Å; L214-W228 HydrophobicContact CD1-CZ2 4.01Å; L214-W228 HydrophobicContact CD1-CZ3 3.55Å; L214-W228 HydrophobicContact CD2-CD2 3.66Å; L214-W228 HydrophobicContact CD2-CE3 4.23Å; L214-W228 HydrophobicContact CD2-CG 3.9Å; L214-W228 HydrophobicContact CD2-CZ2 3.99Å; L214-W228 HydrophobicContact CG-CD2 4.5Å; L214-W228 HydrophobicContact CG-CZ2 4.43Å; G218-W228 PolarHBondContact O-NE1 3.16Å; G224-W228 VanDerWaalsContact O-CD1 3.28Å; G224-W228 PolarHBondContact O-N 2.98Å; L225-W228 WeakPolarHBondContact O-CB 3.39Å; L225-W228 PolarHBondContact O-N 3.01Å; W228-R232 VanDerWaalsContact C-NH1 3.27Å; W228-R232 WeakPolarHBondContact O-CG 3.15Å; W228-R232 PolarHBondContact O-N 3.27Å; W228-R232 PolarHBondContact O-NH1 3.42Å; W228-R232 VanDerWaalsContact O-NH1 3.14Å; W228-L268 HydrophobicContact CE3-CD2 4.39Å; W228-L268 HydrophobicContact CZ3-CD2 4.09Å; W228-R271 HydrophobicContact CH2-CB 3.7Å; W228-R271 HydrophobicContact CZ3-CB 3.72Å; W228-Q272 HydrophobicContact CB-CG 4.03Å; W228-Q272 VanDerWaalsContact CB-OE1 3.27Å; W228-Q272 HydrophobicContact CD2-CB 3.76Å; W228-Q272 HydrophobicContact CD2-CG 3.87Å; W228-Q272 HydrophobicContact CE3-CB 3.79Å; W228-Q272 HydrophobicContact CE3-CG 4.4Å; W228-Q272 HydrophobicContact CG-CB 4.09Å; W228-Q272 HydrophobicContact CG-CG 3.68Å; W228-Q272 HydrophobicContact CZ3-CB 4.3Å; W228-I275 HydrophobicContact CH2-CD1 4.14Å; W228-I275 HydrophobicContact CZ2-CD1 3.38Å
229	E	95.3	Very high	93.2	Very high	73 Å²	73	26.2 Å²	26.2	34%	0.341	14%	0.143	S	C	.	.	H	α-helix	trans	-65.4	-53.9	177.2	-71.5	170.8	157.8	0	0	111.6	L225 L227 Y231 R232 E233	L225-E229 HydrophobicContact CD1-CG 4.05Å; L225-E229 WeakPolarHBondContact CD1-OE1 3.5Å; L225-E229 HydrophobicContact CG-CG 4.36Å; L225-E229 WeakPolarHBondContact O-CG 3.38Å; L225-E229 PolarHBondContact O-N 2.91Å; L227-E229 VanDerWaalsContact C-N 3.33Å; E229-Y231 PolarHBondContact O-N 3.32Å; E229-R232 CarbonylContact O-C 3.58Å; E229-R232 PolarHBondContact O-N 2.7Å; E229-E233 PolarHBondContact O-N 2.76Å
230	A	95	Very high	92.6	Very high	8 Å²	8	30.2 Å²	30.2	7%	0.066	16%	0.16	C	C	.	.	H	α-helix	trans	-57.5	-35.8	177.8	0	0	0	0	0	112.8	L187 F210 A226 F234	L187-A230 HydrophobicContact CD2-CB 3.78Å; F210-A230 HydrophobicContact CE1-CB 3.95Å; F210-A230 HydrophobicContact CZ-CB 4.23Å; A226-A230 VanDerWaalsContact O-CB 3.32Å; A226-A230 WeakPolarHBondContact O-CB 3.5Å; A226-A230 PolarHBondContact O-N 3Å; A230-F234 WeakPolarHBondContact O-CB 3.36Å; A230-F234 PolarHBondContact O-N 3.26Å
231	Y	96.3	Very high	91.8	Very high	11 Å²	11	31 Å²	31	4%	0.043	17%	0.169	C	C	.	.	H	α-helix	trans	-73.9	-37.1	176.2	-166.2	-164.5	0	0	0	112.3	R207 F210 E211 L214 L227 E229 F234 E235 L268	R207-Y231 HydrophobicContact CG-CE2 4.31Å; F210-Y231 HydrophobicContact CB-CD1 3.66Å; F210-Y231 HydrophobicContact CB-CD2 3.68Å; F210-Y231 HydrophobicContact CB-CE1 3.86Å; F210-Y231 HydrophobicContact CB-CE2 3.9Å; F210-Y231 HydrophobicContact CB-CG 3.58Å; F210-Y231 HydrophobicContact CD1-CG 4.17Å; F210-Y231 AromaticContact CD2-CD2 3.64Å; F210-Y231 HydrophobicContact CD2-CD2 3.64Å; F210-Y231 HydrophobicContact CD2-CE2 4.19Å; F210-Y231 HydrophobicContact CD2-CG 4.12Å; F210-Y231 HydrophobicContact CE2-CD2 4.39Å; F210-Y231 HydrophobicContact CG-CD1 4.3Å; F210-Y231 AromaticContact CG-CD2 3.72Å; F210-Y231 HydrophobicContact CG-CD2 3.72Å; F210-Y231 HydrophobicContact CG-CE2 4.33Å; F210-Y231 AromaticContact CG-CG 3.73Å; F210-Y231 HydrophobicContact CG-CG 3.73Å; E211-Y231 HydrophobicContact CG-CE1 4.23Å; E211-Y231 WeakPolarHBondContact OE1-CE1 3.47Å; E211-Y231 PolarHBondContact OE1-OH 3.15Å; E211-Y231 VanDerWaalsContact OE1-OH 3.1Å; L214-Y231 HydrophobicContact CD1-CD1 3.73Å; L214-Y231 HydrophobicContact CD1-CE1 4.14Å; L227-Y231 WeakPolarHBondContact O-CB 3.4Å; L227-Y231 PolarHBondContact O-N 3.25Å; E229-Y231 PolarHBondContact O-N 3.32Å; Y231-F234 AromaticContact CD2-CD1 3.9Å; Y231-F234 HydrophobicContact CD2-CD1 3.9Å; Y231-F234 HydrophobicContact CE2-CD1 4.08Å; Y231-F234 HydrophobicContact CE2-CE1 4.31Å; Y231-E235 HydrophobicContact CD2-CG 3.97Å; Y231-E235 HydrophobicContact CE2-CG 3.75Å; Y231-E235 PolarHBondContact O-N 2.74Å; Y231-L268 HydrophobicContact CD1-CD1 3.94Å; Y231-L268 HydrophobicContact CD1-CD2 3.54Å; Y231-L268 HydrophobicContact CD1-CG 4.41Å; Y231-L268 HydrophobicContact CD2-CD1 4.24Å; Y231-L268 HydrophobicContact CE1-CD1 4.28Å; Y231-L268 HydrophobicContact CE1-CD2 3.54Å; Y231-L268 HydrophobicContact CG-CD1 3.91Å; Y231-L268 HydrophobicContact CG-CD2 4.35Å
232	R	94.4	Very high	90.8	Very high	8 Å²	8	33 Å²	33	3%	0.03	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-45.4	170.2	-75.6	-160.3	-46.6	-68.5	15.1	111.8	W228 E229 F234 E235 S236 L268 F269 E286	W228-R232 VanDerWaalsContact C-NH1 3.27Å; W228-R232 WeakPolarHBondContact O-CG 3.15Å; W228-R232 PolarHBondContact O-N 3.27Å; W228-R232 PolarHBondContact O-NH1 3.42Å; W228-R232 VanDerWaalsContact O-NH1 3.14Å; E229-R232 CarbonylContact O-C 3.58Å; E229-R232 PolarHBondContact O-N 2.7Å; R232-F234 VanDerWaalsContact C-N 3.32Å; R232-F234 PolarHBondContact O-N 3.21Å; R232-E235 PolarHBondContact O-N 3.19Å; R232-S236 WeakPolarHBondContact O-CB 3.2Å; R232-S236 PolarHBondContact O-N 2.97Å; R232-S236 PolarHBondContact O-OG 3.26Å; R232-L268 HydrophobicContact CG-CB 4.01Å; R232-L268 HydrophobicContact CG-CD1 4.22Å; R232-F269 VanDerWaalsContact CD-CE1 3.45Å; R232-F269 VanDerWaalsContact CD-CZ 3.48Å; R232-E286 IonicContact CZ-OE1 3.99Å; R232-E286 IonicContact CZ-OE2 3.4Å; R232-E286 IonicContact NE-OE1 3.69Å; R232-E286 PolarHBondContact NE-OE1 3.45Å; R232-E286 IonicContact NE-OE2 3.33Å; R232-E286 VanDerWaalsContact NH2-CD 3.31Å; R232-E286 IonicContact NH2-OE1 3.26Å; R232-E286 PolarHBondContact NH2-OE1 2.61Å; R232-E286 VanDerWaalsContact NH2-OE1 3.08Å; R232-E286 IonicContact NH2-OE2 3.44Å; R232-E286 PolarHBondContact NH2-OE2 3.36Å
233	E	93.1	Very high	89.7	Confident	65 Å²	65	37 Å²	37	30%	0.304	19%	0.192	S	C	.	.	H	α-helix	trans	-57.8	-45.6	176.9	-74.4	-164.9	143.9	0	0	110.6	E229 A237 T929 L933	E229-E233 PolarHBondContact O-N 2.76Å; E233-A237 WeakPolarHBondContact O-CB 3.46Å; E233-A237 PolarHBondContact O-N 2.88Å; E233-T929 PolarHBondContact OE1-OG1 3.33Å; E233-T929 VanDerWaalsContact OE2-CG2 3.28Å; E233-T929 WeakPolarHBondContact OE2-CG2 3.44Å; E233-T929 PolarHBondContact OE2-OG1 2.91Å; E233-L933 HydrophobicContact CB-CD1 4.03Å
234	F	93.1	Very high	88.1	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-56.7	175.6	162.1	-107.1	0	0	0	112.8	V194 I197 L203 V206 R207 F210 A230 Y231 R232 S236 A237 I238	V194-F234 HydrophobicContact CG2-CD2 3.95Å; V194-F234 HydrophobicContact CG2-CE2 4.48Å; I197-F234 HydrophobicContact CD1-CD2 4.31Å; I197-F234 HydrophobicContact CD1-CE2 3.61Å; L203-F234 HydrophobicContact CD1-CE2 4.24Å; L203-F234 HydrophobicContact CD1-CZ 3.75Å; V206-F234 HydrophobicContact CB-CE1 4.34Å; V206-F234 HydrophobicContact CB-CE2 4.44Å; V206-F234 HydrophobicContact CB-CZ 4.01Å; V206-F234 HydrophobicContact CG1-CD1 3.85Å; V206-F234 HydrophobicContact CG1-CD2 4.05Å; V206-F234 HydrophobicContact CG1-CE1 3.57Å; V206-F234 HydrophobicContact CG1-CE2 3.8Å; V206-F234 HydrophobicContact CG1-CG 4.07Å; V206-F234 HydrophobicContact CG1-CZ 3.54Å; R207-F234 HydrophobicContact CG-CE1 4.21Å; F210-F234 HydrophobicContact CD2-CD1 4.47Å; F210-F234 HydrophobicContact CE2-CB 4.3Å; F210-F234 HydrophobicContact CE2-CD1 4.39Å; F210-F234 HydrophobicContact CE2-CG 4.39Å; A230-F234 WeakPolarHBondContact O-CB 3.36Å; A230-F234 PolarHBondContact O-N 3.26Å; Y231-F234 AromaticContact CD2-CD1 3.9Å; Y231-F234 HydrophobicContact CD2-CD1 3.9Å; Y231-F234 HydrophobicContact CE2-CD1 4.08Å; Y231-F234 HydrophobicContact CE2-CE1 4.31Å; R232-F234 VanDerWaalsContact C-N 3.32Å; R232-F234 PolarHBondContact O-N 3.21Å; F234-S236 PolarHBondContact O-N 3.41Å; F234-A237 PolarHBondContact O-N 3.24Å; F234-I238 HydrophobicContact CD2-CG1 4.32Å; F234-I238 HydrophobicContact CE2-CD1 4.13Å; F234-I238 HydrophobicContact CE2-CG1 3.8Å; F234-I238 HydrophobicContact CZ-CG1 4.14Å; F234-I238 WeakPolarHBondContact O-CG1 3.44Å; F234-I238 PolarHBondContact O-N 3.01Å
235	E	91.9	Very high	86.2	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-33.2	-176.6	-68.7	-70.9	-169.6	0	0	111.6	R207 Y231 R232 I238 V239 Q261 V265 L268	R207-E235 WeakPolarHBondContact CG-OE1 3.46Å; R207-E235 IonicContact CZ-OE1 2.93Å; R207-E235 IonicContact CZ-OE2 2.72Å; R207-E235 IonicContact NE-OE1 2.71Å; R207-E235 PolarHBondContact NE-OE1 3.05Å; R207-E235 IonicContact NE-OE2 3.7Å; R207-E235 IonicContact NH2-OE1 3.55Å; R207-E235 PolarHBondContact NH2-OE1 2.99Å; R207-E235 IonicContact NH2-OE2 2.69Å; R207-E235 PolarHBondContact NH2-OE2 3.11Å; Y231-E235 HydrophobicContact CD2-CG 3.97Å; Y231-E235 HydrophobicContact CE2-CG 3.75Å; Y231-E235 PolarHBondContact O-N 2.74Å; R232-E235 PolarHBondContact O-N 3.19Å; E235-I238 PolarHBondContact O-N 3.23Å; E235-V239 WeakPolarHBondContact O-CG2 3.49Å; E235-V239 PolarHBondContact O-N 3.01Å; E235-Q261 PolarHBondContact O-NE2 3.19Å; E235-Q261 VanDerWaalsContact O-NE2 3.11Å; E235-Q261 PolarHBondContact OE2-NE2 3.01Å; E235-V265 HydrophobicContact CB-CG2 3.95Å; E235-L268 HydrophobicContact CB-CD1 4.44Å; E235-L268 HydrophobicContact CG-CD1 4.05Å
236	S	89.3	Confident	83.9	Confident	32 Å²	32	45.1 Å²	45.1	22%	0.224	26%	0.262	C	S	.	.	H	α-helix	trans	-68.6	-40	175.1	-57.1	0	0	0	0	112.4	R232 F234 I238 V239 E240	R232-S236 WeakPolarHBondContact O-CB 3.2Å; R232-S236 PolarHBondContact O-N 2.97Å; R232-S236 PolarHBondContact O-OG 3.26Å; F234-S236 PolarHBondContact O-N 3.41Å; S236-I238 PolarHBondContact O-N 3.5Å; S236-V239 WeakPolarHBondContact O-CA 3.21Å; S236-V239 WeakPolarHBondContact O-CB 3.43Å; S236-V239 PolarHBondContact O-N 2.79Å; S236-E240 PolarHBondContact O-N 3.45Å
237	A	88.8	Confident	81.8	Confident	12 Å²	12	46.5 Å²	46.5	10%	0.099	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-31.1	173.3	0	0	0	0	0	112.1	E233 F234 A241 L934	E233-A237 WeakPolarHBondContact O-CB 3.46Å; E233-A237 PolarHBondContact O-N 2.88Å; F234-A237 PolarHBondContact O-N 3.24Å; A237-A241 WeakPolarHBondContact O-CB 3.21Å; A237-A241 PolarHBondContact O-N 3.36Å; A237-A241 VanDerWaalsContact O-N 3.13Å; A237-L934 HydrophobicContact CB-CD2 4.01Å; A237-L934 HydrophobicContact CB-CG 4.44Å
238	I	85.8	Confident	79.3	Confident	22 Å²	22	55 Å²	55	11%	0.113	32%	0.317	C	S	.	.	H	α-helix	trans	-73.8	-37.7	171.5	-57.2	-60.7	0	0	0	111.6	L203 F234 E235 S236 A241 A242 Q261 L938	L203-I238 HydrophobicContact CD1-CD1 4.18Å; L203-I238 HydrophobicContact CD1-CG1 4.3Å; F234-I238 HydrophobicContact CD2-CG1 4.32Å; F234-I238 HydrophobicContact CE2-CD1 4.13Å; F234-I238 HydrophobicContact CE2-CG1 3.8Å; F234-I238 HydrophobicContact CZ-CG1 4.14Å; F234-I238 WeakPolarHBondContact O-CG1 3.44Å; F234-I238 PolarHBondContact O-N 3.01Å; E235-I238 PolarHBondContact O-N 3.23Å; S236-I238 PolarHBondContact O-N 3.5Å; I238-A241 PolarHBondContact O-N 3.18Å; I238-A242 VanDerWaalsContact O-CB 3.25Å; I238-A242 WeakPolarHBondContact O-CB 3.44Å; I238-A242 PolarHBondContact O-N 2.78Å; I238-Q261 HydrophobicContact CG2-CG 4.11Å; I238-L938 HydrophobicContact CD1-CD1 3.77Å
239	V	85.3	Confident	76.8	Confident	15 Å²	15	62.2 Å²	62.2	9%	0.091	36%	0.355	C	S	.	.	H	α-helix	trans	-58.5	-48.8	170.5	175.4	0	0	0	0	110.8	E235 S236 A241 A242 R243 F258 Q261 L262 V265	E235-V239 WeakPolarHBondContact O-CG2 3.49Å; E235-V239 PolarHBondContact O-N 3.01Å; S236-V239 WeakPolarHBondContact O-CA 3.21Å; S236-V239 WeakPolarHBondContact O-CB 3.43Å; S236-V239 PolarHBondContact O-N 2.79Å; V239-A241 PolarHBondContact O-N 3.35Å; V239-A242 PolarHBondContact O-N 3.16Å; V239-R243 PolarHBondContact O-N 3.44Å; V239-R243 VanDerWaalsContact O-N 3.1Å; V239-F258 HydrophobicContact CG1-CD2 4.36Å; V239-F258 HydrophobicContact CG1-CE2 3.55Å; V239-F258 HydrophobicContact CG1-CZ 3.87Å; V239-Q261 HydrophobicContact CG2-CB 4.44Å; V239-Q261 HydrophobicContact CG2-CG 3.75Å; V239-L262 HydrophobicContact CG1-CD1 4.29Å; V239-V265 HydrophobicContact CG2-CG2 3.93Å
240	E	83.9	Confident	74.7	Confident	132 Å²	132	61.8 Å²	61.8	62%	0.617	36%	0.36	S	S	*	.	H	α-helix	trans	-59.4	-44.3	178.7	-72.3	-168.2	154.8	0	0	111.9	S236 A242 R243	S236-E240 PolarHBondContact O-N 3.45Å; E240-A242 VanDerWaalsContact C-N 3.3Å; E240-A242 PolarHBondContact O-N 3.46Å; E240-R243 WeakPolarHBondContact O-CB 3.49Å; E240-R243 PolarHBondContact O-N 2.99Å
241	A	79.8	Confident	72.9	Confident	33 Å²	33	65.3 Å²	65.3	27%	0.273	38%	0.383	S	S	.	.	H	α-helix	trans	-68.1	-27.7	177.9	0	0	0	0	0	113.6	A237 I238 V239 L938	A237-A241 WeakPolarHBondContact O-CB 3.21Å; A237-A241 PolarHBondContact O-N 3.36Å; A237-A241 VanDerWaalsContact O-N 3.13Å; I238-A241 PolarHBondContact O-N 3.18Å; V239-A241 PolarHBondContact O-N 3.35Å; A241-L938 HydrophobicContact CB-CB 4.3Å; A241-L938 HydrophobicContact CB-CD1 3.99Å
242	A	71.8	Confident	71	Confident	43 Å²	43	71.6 Å²	71.6	36%	0.355	41%	0.41	S	S	.	.	H	α-helix	trans	-84	-14.6	178.1	0	0	0	0	0	114.1	I238 V239 E240 F258	I238-A242 VanDerWaalsContact O-CB 3.25Å; I238-A242 WeakPolarHBondContact O-CB 3.44Å; I238-A242 PolarHBondContact O-N 2.78Å; V239-A242 PolarHBondContact O-N 3.16Å; E240-A242 VanDerWaalsContact C-N 3.3Å; E240-A242 PolarHBondContact O-N 3.46Å; A242-F258 HydrophobicContact CB-CD2 4.42Å
243	R	68.9	Low	69.1	Low	162 Å²	162	76.1 Å²	76.1	61%	0.611	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-54.9	129	-171.6	-156.2	173.5	-160.3	169.8	8.3	112.1	V239 E240 V245 F258	V239-R243 PolarHBondContact O-N 3.44Å; V239-R243 VanDerWaalsContact O-N 3.1Å; E240-R243 WeakPolarHBondContact O-CB 3.49Å; E240-R243 PolarHBondContact O-N 2.99Å; R243-V245 PolarHBondContact O-N 3.47Å; R243-F258 HydrophobicContact CB-CE2 4.04Å; R243-F258 HydrophobicContact CG-CE2 3.91Å; R243-F258 HydrophobicContact CG-CZ 4.28Å
244	P	60.3	Low	67.3	Low	72 Å²	72	80.1 Å²	80.1	47%	0.468	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-59.2	124	-178.7	-27	35.3	0	0	0	113
245	V	55.3	Low	65.7	Low	106 Å²	106	84.3 Å²	84.3	64%	0.642	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-89.6	117.5	167.7	177.8	0	0	0	0	108.1	R243 G247	R243-V245 PolarHBondContact O-N 3.47Å; V245-G247 PolarHBondContact O-N 3.19Å; V245-G247 VanDerWaalsContact O-N 3.16Å
246	A	46.1	Very low	64.4	Low	104 Å²	104	89.4 Å²	89.4	86%	0.86	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	116.9	178.4	0	0	0	0	0	111.1
247	G	51.8	Low	63.4	Low	67 Å²	67	92 Å²	92	69%	0.691	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	158	-39	171.1	0	0	0	0	0	116.9	V245	V245-G247 PolarHBondContact O-N 3.19Å; V245-G247 VanDerWaalsContact O-N 3.16Å
248	F	42.3	Very low	62.8	Low	180 Å²	180	93 Å²	93	79%	0.789	51%	0.507	S	S	*	.	S	Bend	trans	-137.6	97.9	-166.4	-82.7	-88.2	0	0	0	116
249	L	44.5	Very low	62.5	Low	158 Å²	158	96.2 Å²	96.2	83%	0.827	53%	0.525	S	S	*	.	S	Bend	trans	63.3	143.4	153.5	-61.6	173.5	0	0	0	120.4
250	S	52	Low	62.3	Low	63 Å²	63	98.6 Å²	98.6	44%	0.441	54%	0.542	S	S	.	.			trans	40.7	91.8	-176.1	-149.3	0	0	0	0	116.1	D253	S250-D253 PolarHBondContact OG-OD2 2.93Å
251	P	56.5	Low	62.3	Low	83 Å²	83	92.9 Å²	92.9	54%	0.539	52%	0.516	S	S	.	.	H	α-helix	trans	-67.1	-48.1	174.8	-18.3	31.6	0	0	0	112.9	D253 R254 E255	P251-D253 PolarHBondContact O-N 2.76Å; P251-R254 WeakPolarHBondContact O-CB 3.08Å; P251-R254 PolarHBondContact O-N 2.66Å; P251-E255 WeakPolarHBondContact CB-OE1 3.35Å; P251-E255 WeakPolarHBondContact O-CG 3.36Å; P251-E255 PolarHBondContact O-N 2.93Å
252	F	57.2	Low	62.6	Low	142 Å²	142	93.6 Å²	93.6	62%	0.623	52%	0.515	S	S	*	.	H	α-helix	trans	-63.4	-44.4	-157.4	-156	-108.5	0	0	0	114.5	R254 Q256	F252-R254 VanDerWaalsContact C-N 3.3Å; F252-R254 PolarHBondContact O-N 3.04Å; F252-Q256 WeakPolarHBondContact O-CG 3.47Å; F252-Q256 PolarHBondContact O-N 3.46Å
253	D	53.3	Low	63.5	Low	104 Å²	104	95.8 Å²	95.8	56%	0.556	52%	0.518	S	S	*	.	H	α-helix	trans	-68.8	-32.8	178.4	-46.6	-66.9	0	0	0	111.4	S250 P251 T257	S250-D253 PolarHBondContact OG-OD2 2.93Å; P251-D253 PolarHBondContact O-N 2.76Å; D253-T257 WeakPolarHBondContact O-CG2 3.2Å; D253-T257 PolarHBondContact O-N 3.01Å; D253-T257 PolarHBondContact O-OG1 3.22Å
254	R	54.7	Low	64.5	Low	149 Å²	149	91.2 Å²	91.2	56%	0.562	50%	0.502	S	S	*	.	H	α-helix	trans	-76.2	-42.2	-179	-83.6	-175.3	142.4	149.9	-0.8	112.3	P251 F252 T257 F258	P251-R254 WeakPolarHBondContact O-CB 3.08Å; P251-R254 PolarHBondContact O-N 2.66Å; F252-R254 VanDerWaalsContact C-N 3.3Å; F252-R254 PolarHBondContact O-N 3.04Å; R254-T257 WeakPolarHBondContact CA-OG1 3.46Å; R254-T257 PolarHBondContact O-N 2.83Å; R254-T257 PolarHBondContact O-OG1 3.46Å; R254-F258 WeakPolarHBondContact O-CB 3.33Å; R254-F258 PolarHBondContact O-N 3.35Å
255	E	60.9	Low	66	Low	89 Å²	89	87.8 Å²	87.8	42%	0.416	48%	0.48	S	S	.	.	H	α-helix	trans	-55.7	-51.3	173.1	-73	159.9	170.5	0	0	109.7	P251 T257 F258 D259	P251-E255 WeakPolarHBondContact CB-OE1 3.35Å; P251-E255 WeakPolarHBondContact O-CG 3.36Å; P251-E255 PolarHBondContact O-N 2.93Å; E255-T257 VanDerWaalsContact C-N 3.34Å; E255-T257 PolarHBondContact O-N 2.77Å; E255-F258 WeakPolarHBondContact O-CA 3.41Å; E255-F258 WeakPolarHBondContact O-CB 3.49Å; E255-F258 PolarHBondContact O-N 3.37Å; E255-D259 PolarHBondContact O-N 3.39Å
256	Q	64.6	Low	67.9	Low	110 Å²	110	83.8 Å²	83.8	51%	0.514	45%	0.454	S	S	.	.	H	α-helix	trans	-59	-38.5	175.4	-68.7	-176.6	25.2	0	0	114	F252 F258 S260	F252-Q256 WeakPolarHBondContact O-CG 3.47Å; F252-Q256 PolarHBondContact O-N 3.46Å; Q256-F258 VanDerWaalsContact C-N 3.34Å; Q256-S260 VanDerWaalsContact O-CB 3.26Å; Q256-S260 WeakPolarHBondContact O-CB 3.46Å; Q256-S260 PolarHBondContact O-N 3.15Å; Q256-S260 PolarHBondContact O-OG 3.26Å
257	T	68	Low	70.2	Confident	86 Å²	86	81 Å²	81	53%	0.528	43%	0.429	S	S	.	.	H	α-helix	trans	-69.6	-30.5	174.5	57	0	0	0	0	113.4	D253 R254 E255 S260 Q261	D253-T257 WeakPolarHBondContact O-CG2 3.2Å; D253-T257 PolarHBondContact O-N 3.01Å; D253-T257 PolarHBondContact O-OG1 3.22Å; R254-T257 WeakPolarHBondContact CA-OG1 3.46Å; R254-T257 PolarHBondContact O-N 2.83Å; R254-T257 PolarHBondContact O-OG1 3.46Å; E255-T257 VanDerWaalsContact C-N 3.34Å; E255-T257 PolarHBondContact O-N 2.77Å; T257-S260 PolarHBondContact O-OG 3.44Å; T257-Q261 WeakPolarHBondContact O-CB 3.43Å; T257-Q261 PolarHBondContact O-N 2.9Å
258	F	77	Confident	72.3	Confident	32 Å²	32	78 Å²	78	14%	0.14	40%	0.397	C	S	.	.	H	α-helix	trans	-73.3	-48.9	176.2	179.8	-95.4	0	0	0	110.6	V239 A242 R243 R254 E255 Q256 S260 Q261 L262	V239-F258 HydrophobicContact CG1-CD2 4.36Å; V239-F258 HydrophobicContact CG1-CE2 3.55Å; V239-F258 HydrophobicContact CG1-CZ 3.87Å; A242-F258 HydrophobicContact CB-CD2 4.42Å; R243-F258 HydrophobicContact CB-CE2 4.04Å; R243-F258 HydrophobicContact CG-CE2 3.91Å; R243-F258 HydrophobicContact CG-CZ 4.28Å; R254-F258 WeakPolarHBondContact O-CB 3.33Å; R254-F258 PolarHBondContact O-N 3.35Å; E255-F258 WeakPolarHBondContact O-CA 3.41Å; E255-F258 WeakPolarHBondContact O-CB 3.49Å; E255-F258 PolarHBondContact O-N 3.37Å; Q256-F258 VanDerWaalsContact C-N 3.34Å; F258-S260 PolarHBondContact O-N 3.15Å; F258-Q261 CarbonylContact O-C 3.57Å; F258-Q261 WeakPolarHBondContact O-CA 3.35Å; F258-Q261 WeakPolarHBondContact O-CB 3.47Å; F258-Q261 PolarHBondContact O-N 3.24Å; F258-L262 HydrophobicContact CE1-CD2 4.33Å; F258-L262 PolarHBondContact O-N 3.49Å
259	D	78.4	Confident	74.9	Confident	91 Å²	91	69.6 Å²	69.6	49%	0.487	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-44.9	179.9	-58.6	-20.5	0	0	0	111.3	E255 Q261 L262 E263	E255-D259 PolarHBondContact O-N 3.39Å; D259-Q261 PolarHBondContact O-N 3.47Å; D259-L262 PolarHBondContact O-N 2.92Å; D259-E263 WeakPolarHBondContact O-CB 3.49Å; D259-E263 PolarHBondContact O-N 2.87Å
260	S	82.1	Confident	77.3	Confident	64 Å²	64	65.9 Å²	65.9	45%	0.448	33%	0.334	S	S	.	.	H	α-helix	trans	-69.2	-9	175.2	65.8	0	0	0	0	114.2	Q256 T257 F258 K264	Q256-S260 VanDerWaalsContact O-CB 3.26Å; Q256-S260 WeakPolarHBondContact O-CB 3.46Å; Q256-S260 PolarHBondContact O-N 3.15Å; Q256-S260 PolarHBondContact O-OG 3.26Å; T257-S260 PolarHBondContact O-OG 3.44Å; F258-S260 PolarHBondContact O-N 3.15Å; S260-K264 WeakPolarHBondContact O-CG 3.49Å; S260-K264 PolarHBondContact O-NZ 2.9Å
261	Q	82.1	Confident	79.5	Confident	13 Å²	13	67 Å²	67	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-99.6	-35.2	174.4	-176.7	56.7	34.5	0	0	110.9	E235 I238 V239 T257 F258 D259 K264	E235-Q261 PolarHBondContact O-NE2 3.19Å; E235-Q261 VanDerWaalsContact O-NE2 3.11Å; E235-Q261 PolarHBondContact OE2-NE2 3.01Å; I238-Q261 HydrophobicContact CG2-CG 4.11Å; V239-Q261 HydrophobicContact CG2-CB 4.44Å; V239-Q261 HydrophobicContact CG2-CG 3.75Å; T257-Q261 WeakPolarHBondContact O-CB 3.43Å; T257-Q261 PolarHBondContact O-N 2.9Å; F258-Q261 CarbonylContact O-C 3.57Å; F258-Q261 WeakPolarHBondContact O-CA 3.35Å; F258-Q261 WeakPolarHBondContact O-CB 3.47Å; F258-Q261 PolarHBondContact O-N 3.24Å; D259-Q261 PolarHBondContact O-N 3.47Å; Q261-K264 WeakPolarHBondContact O-CB 3.22Å; Q261-K264 PolarHBondContact O-N 3.2Å
262	L	86.8	Confident	81.4	Confident	48 Å²	48	63.1 Å²	63.1	25%	0.251	30%	0.304	S	S	.	.	H	α-helix	trans	-65.4	-45.3	171.3	-175.1	66.3	0	0	0	111.9	V239 F258 D259 K264 V265 H266 W290	V239-L262 HydrophobicContact CG1-CD1 4.29Å; F258-L262 HydrophobicContact CE1-CD2 4.33Å; F258-L262 PolarHBondContact O-N 3.49Å; D259-L262 PolarHBondContact O-N 2.92Å; L262-K264 PolarHBondContact O-N 3.35Å; L262-K264 VanDerWaalsContact O-N 3.16Å; L262-V265 WeakPolarHBondContact O-CB 3.47Å; L262-V265 PolarHBondContact O-N 3.41Å; L262-H266 PolarHBondContact O-CD2 2.66Å; L262-H266 PolarHBondContact O-N 3.12Å; L262-H266 VanDerWaalsContact O-N 3.13Å; L262-W290 HydrophobicContact CD1-CH2 3.62Å; L262-W290 HydrophobicContact CD1-CZ2 3.73Å; L262-W290 HydrophobicContact CG-CH2 4.49Å
263	E	90.3	Very high	83.2	Confident	89 Å²	89	56.4 Å²	56.4	42%	0.416	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-21.5	177.2	174.2	58.7	-171.3	0	0	112.7	D259 S267 R270	D259-E263 WeakPolarHBondContact O-CB 3.49Å; D259-E263 PolarHBondContact O-N 2.87Å; E263-S267 WeakPolarHBondContact O-CB 3.22Å; E263-S267 PolarHBondContact O-N 3.01Å; E263-R270 VanDerWaalsContact CD-NH1 3.28Å; E263-R270 IonicContact OE1-CZ 3.1Å; E263-R270 IonicContact OE1-NH1 3.32Å; E263-R270 PolarHBondContact OE1-NH1 3.07Å; E263-R270 IonicContact OE1-NH2 3.81Å; E263-R270 IonicContact OE2-CZ 3.67Å; E263-R270 VanDerWaalsContact OE2-CZ 3.32Å; E263-R270 IonicContact OE2-NH1 2.82Å; E263-R270 PolarHBondContact OE2-NH1 2.8Å; E263-R270 VanDerWaalsContact OE2-NH1 3.1Å; E263-R270 IonicContact OE2-NH2 2.74Å; E263-R270 PolarHBondContact OE2-NH2 3.11Å
264	K	90.3	Very high	85.3	Confident	66 Å²	66	53.6 Å²	53.6	29%	0.287	27%	0.266	S	S	.	.	H	α-helix	trans	-67.1	-42.9	169.2	-62.3	-176.4	-170.9	83.2	0	111.5	S260 Q261 L262 S267 L268	S260-K264 WeakPolarHBondContact O-CG 3.49Å; S260-K264 PolarHBondContact O-NZ 2.9Å; Q261-K264 WeakPolarHBondContact O-CB 3.22Å; Q261-K264 PolarHBondContact O-N 3.2Å; L262-K264 PolarHBondContact O-N 3.35Å; L262-K264 VanDerWaalsContact O-N 3.16Å; K264-S267 WeakPolarHBondContact O-CB 3.45Å; K264-S267 PolarHBondContact O-N 2.72Å; K264-L268 WeakPolarHBondContact O-CG 3.42Å; K264-L268 PolarHBondContact O-N 2.78Å
265	V	92.6	Very high	87.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-46	178.7	-176.5	0	0	0	0	109.9	E235 V239 L262 S267 L268 F269 W290	E235-V265 HydrophobicContact CB-CG2 3.95Å; V239-V265 HydrophobicContact CG2-CG2 3.93Å; L262-V265 WeakPolarHBondContact O-CB 3.47Å; L262-V265 PolarHBondContact O-N 3.41Å; V265-S267 VanDerWaalsContact C-N 3.32Å; V265-S267 PolarHBondContact O-N 2.84Å; V265-L268 PolarHBondContact O-N 3.29Å; V265-F269 HydrophobicContact CG1-CD2 4.02Å; V265-F269 HydrophobicContact CG1-CE2 3.81Å; V265-F269 VanDerWaalsContact O-CD2 3.29Å; V265-F269 WeakPolarHBondContact O-CD2 3.31Å; V265-F269 PolarHBondContact O-N 3.31Å; V265-F269 VanDerWaalsContact O-N 3.09Å; V265-W290 HydrophobicContact CB-CH2 3.74Å; V265-W290 HydrophobicContact CB-CZ2 4.03Å; V265-W290 HydrophobicContact CG1-CH2 3.53Å; V265-W290 HydrophobicContact CG1-CZ2 3.56Å; V265-W290 HydrophobicContact CG1-CZ3 4.17Å
266	H	93.5	Very high	88.9	Confident	22 Å²	22	43.6 Å²	43.6	10%	0.102	23%	0.226	C	C	.	.	H	α-helix	trans	-57.6	-43.6	170.3	-70.3	-87.5	0	0	0	112	L262 L268 F269 R270 Y287 W290 S291	L262-H266 PolarHBondContact O-CD2 2.66Å; L262-H266 PolarHBondContact O-N 3.12Å; L262-H266 VanDerWaalsContact O-N 3.13Å; H266-L268 VanDerWaalsContact C-N 3.33Å; H266-L268 PolarHBondContact O-N 3.48Å; H266-F269 PolarHBondContact O-N 3.05Å; H266-R270 WeakPolarHBondContact O-CB 3.19Å; H266-R270 WeakPolarHBondContact O-CG 3.43Å; H266-R270 PolarHBondContact O-N 3.31Å; H266-Y287 HydrophobicContact CB-CE2 4.44Å; H266-Y287 AromaticContact ND1-CE2 3.51Å; H266-Y287 AromaticContact ND1-CZ 3.68Å; H266-Y287 PolarHBondContact ND1-OH 3.44Å; H266-W290 AromaticContact CD2-CH2 3.94Å; H266-W290 AromaticContact CD2-CZ3 3.88Å; H266-W290 AromaticContact CE1-CZ3 3.56Å; H266-W290 AromaticContact CG-CZ3 3.83Å; H266-W290 AromaticContact ND1-CZ3 3.65Å; H266-W290 AromaticContact NE2-CH2 3.91Å; H266-W290 AromaticContact NE2-CZ3 3.7Å; H266-S291 PolarHBondContact CE1-OG 2.76Å
267	S	95.2	Very high	90.3	Very high	46 Å²	46	38.3 Å²	38.3	32%	0.322	20%	0.202	S	C	.	.	H	α-helix	trans	-59.6	-41.2	177.7	-175.3	0	0	0	0	112.2	E263 K264 V265 R270 R271	E263-S267 WeakPolarHBondContact O-CB 3.22Å; E263-S267 PolarHBondContact O-N 3.01Å; K264-S267 WeakPolarHBondContact O-CB 3.45Å; K264-S267 PolarHBondContact O-N 2.72Å; V265-S267 VanDerWaalsContact C-N 3.32Å; V265-S267 PolarHBondContact O-N 2.84Å; S267-R270 PolarHBondContact O-N 2.86Å; S267-R271 VanDerWaalsContact O-CB 3.29Å; S267-R271 WeakPolarHBondContact O-CB 3.47Å; S267-R271 WeakPolarHBondContact O-CD 3.48Å; S267-R271 WeakPolarHBondContact O-CG 3.04Å; S267-R271 PolarHBondContact O-N 2.99Å
268	L	95.6	Very high	91.5	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-48.1	174.4	-69.6	178.1	0	0	0	112.1	W228 Y231 R232 E235 K264 V265 H266 R271 Q272	W228-L268 HydrophobicContact CE3-CD2 4.39Å; W228-L268 HydrophobicContact CZ3-CD2 4.09Å; Y231-L268 HydrophobicContact CD1-CD1 3.94Å; Y231-L268 HydrophobicContact CD1-CD2 3.54Å; Y231-L268 HydrophobicContact CD1-CG 4.41Å; Y231-L268 HydrophobicContact CD2-CD1 4.24Å; Y231-L268 HydrophobicContact CE1-CD1 4.28Å; Y231-L268 HydrophobicContact CE1-CD2 3.54Å; Y231-L268 HydrophobicContact CG-CD1 3.91Å; Y231-L268 HydrophobicContact CG-CD2 4.35Å; R232-L268 HydrophobicContact CG-CB 4.01Å; R232-L268 HydrophobicContact CG-CD1 4.22Å; E235-L268 HydrophobicContact CB-CD1 4.44Å; E235-L268 HydrophobicContact CG-CD1 4.05Å; K264-L268 WeakPolarHBondContact O-CG 3.42Å; K264-L268 PolarHBondContact O-N 2.78Å; V265-L268 PolarHBondContact O-N 3.29Å; H266-L268 VanDerWaalsContact C-N 3.33Å; H266-L268 PolarHBondContact O-N 3.48Å; L268-R271 PolarHBondContact O-N 3.48Å; L268-Q272 WeakPolarHBondContact O-CB 3.38Å; L268-Q272 PolarHBondContact O-N 2.93Å
269	F	96.5	Very high	92.3	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.013	21%	0.211	C	C	.	.	H	α-helix	trans	-57.7	-51.5	174	-80.4	-69.4	0	0	0	112.1	R232 V265 H266 R271 Q272 L273 T283 E286 Y287 W290	R232-F269 VanDerWaalsContact CD-CE1 3.45Å; R232-F269 VanDerWaalsContact CD-CZ 3.48Å; V265-F269 HydrophobicContact CG1-CD2 4.02Å; V265-F269 HydrophobicContact CG1-CE2 3.81Å; V265-F269 VanDerWaalsContact O-CD2 3.29Å; V265-F269 WeakPolarHBondContact O-CD2 3.31Å; V265-F269 PolarHBondContact O-N 3.31Å; V265-F269 VanDerWaalsContact O-N 3.09Å; H266-F269 PolarHBondContact O-N 3.05Å; F269-R271 VanDerWaalsContact C-N 3.25Å; F269-R271 PolarHBondContact O-N 3.29Å; F269-Q272 PolarHBondContact O-N 3.25Å; F269-L273 WeakPolarHBondContact O-CB 3.23Å; F269-L273 VanDerWaalsContact O-CG 3.26Å; F269-L273 WeakPolarHBondContact O-CG 3.35Å; F269-L273 PolarHBondContact O-N 2.99Å; F269-T283 HydrophobicContact CD1-CG2 3.94Å; F269-T283 HydrophobicContact CE1-CG2 4.07Å; F269-E286 HydrophobicContact CE1-CB 4.48Å; F269-E286 VanDerWaalsContact CE1-CD 3.49Å; F269-E286 HydrophobicContact CE1-CG 4.02Å; F269-E286 WeakPolarHBondContact CE1-OE1 3.35Å; F269-E286 HydrophobicContact CZ-CG 4.06Å; F269-E286 VanDerWaalsContact CZ-OE1 3.22Å; F269-E286 WeakPolarHBondContact CZ-OE1 3.3Å; F269-Y287 HydrophobicContact CB-CD1 4.32Å; F269-Y287 HydrophobicContact CB-CD2 3.4Å; F269-Y287 HydrophobicContact CB-CE1 4.48Å; F269-Y287 HydrophobicContact CB-CE2 3.58Å; F269-Y287 HydrophobicContact CB-CG 3.8Å; F269-Y287 AromaticContact CD1-CD2 3.8Å; F269-Y287 HydrophobicContact CD1-CD2 3.8Å; F269-Y287 AromaticContact CD1-CG 3.97Å; F269-Y287 HydrophobicContact CD1-CG 3.97Å; F269-Y287 AromaticContact CD2-CD2 3.29Å; F269-Y287 HydrophobicContact CD2-CD2 3.29Å; F269-Y287 AromaticContact CD2-CE2 3.7Å; F269-Y287 HydrophobicContact CD2-CE2 3.7Å; F269-Y287 HydrophobicContact CD2-CG 4.27Å; F269-Y287 HydrophobicContact CE1-CD2 4.29Å; F269-Y287 AromaticContact CE2-CD2 3.86Å; F269-Y287 HydrophobicContact CE2-CD2 3.86Å; F269-Y287 AromaticContact CG-CD2 3.24Å; F269-Y287 HydrophobicContact CG-CD2 3.24Å; F269-Y287 AromaticContact CG-CE2 3.82Å; F269-Y287 HydrophobicContact CG-CE2 3.82Å; F269-Y287 AromaticContact CG-CG 3.81Å; F269-Y287 HydrophobicContact CG-CG 3.81Å; F269-Y287 HydrophobicContact CZ-CD2 4.31Å; F269-W290 HydrophobicContact CD2-CE3 4.16Å; F269-W290 HydrophobicContact CD2-CZ3 4.21Å; F269-W290 AromaticContact CE2-CD2 3.97Å; F269-W290 HydrophobicContact CE2-CD2 3.97Å; F269-W290 AromaticContact CE2-CE3 3.73Å; F269-W290 HydrophobicContact CE2-CE3 3.73Å; F269-W290 HydrophobicContact CE2-CG 4.48Å; F269-W290 HydrophobicContact CE2-CZ3 4.11Å
270	R	96	Very high	93	Very high	79 Å²	79	37.1 Å²	37.1	30%	0.298	19%	0.189	S	C	.	.	H	α-helix	trans	-61	-32.4	-179.7	-65.7	172.2	-158.8	155.7	6.5	112.5	E263 H266 S267 Y287 V299	E263-R270 VanDerWaalsContact CD-NH1 3.28Å; E263-R270 IonicContact OE1-CZ 3.1Å; E263-R270 IonicContact OE1-NH1 3.32Å; E263-R270 PolarHBondContact OE1-NH1 3.07Å; E263-R270 IonicContact OE1-NH2 3.81Å; E263-R270 IonicContact OE2-CZ 3.67Å; E263-R270 VanDerWaalsContact OE2-CZ 3.32Å; E263-R270 IonicContact OE2-NH1 2.82Å; E263-R270 PolarHBondContact OE2-NH1 2.8Å; E263-R270 VanDerWaalsContact OE2-NH1 3.1Å; E263-R270 IonicContact OE2-NH2 2.74Å; E263-R270 PolarHBondContact OE2-NH2 3.11Å; H266-R270 WeakPolarHBondContact O-CB 3.19Å; H266-R270 WeakPolarHBondContact O-CG 3.43Å; H266-R270 PolarHBondContact O-N 3.31Å; S267-R270 PolarHBondContact O-N 2.86Å; R270-Y287 HydrophobicContact CG-CE1 4.48Å; R270-Y287 PolarHBondContact NE-OH 3.17Å; R270-V299 HydrophobicContact CB-CG2 4.4Å; R270-V299 HydrophobicContact CG-CG1 4.32Å; R270-V299 HydrophobicContact CG-CG2 3.85Å
271	R	97	Very high	93.7	Very high	86 Å²	86	40.2 Å²	40.2	33%	0.325	20%	0.196	S	C	.	.	H	α-helix	trans	-73	-49.2	174	-75	165.5	63.1	-177.4	2.6	111.8	E211 W228 S267 L268 F269 A274	E211-R271 IonicContact OE1-CZ 3.17Å; E211-R271 IonicContact OE1-NH1 3.28Å; E211-R271 PolarHBondContact OE1-NH1 3.2Å; E211-R271 IonicContact OE1-NH2 3.34Å; E211-R271 IonicContact OE2-CZ 3.08Å; E211-R271 IonicContact OE2-NH1 2.66Å; E211-R271 PolarHBondContact OE2-NH1 2.88Å; E211-R271 IonicContact OE2-NH2 2.72Å; E211-R271 PolarHBondContact OE2-NH2 3.29Å; W228-R271 HydrophobicContact CH2-CB 3.7Å; W228-R271 HydrophobicContact CZ3-CB 3.72Å; S267-R271 VanDerWaalsContact O-CB 3.29Å; S267-R271 WeakPolarHBondContact O-CB 3.47Å; S267-R271 WeakPolarHBondContact O-CD 3.48Å; S267-R271 WeakPolarHBondContact O-CG 3.04Å; S267-R271 PolarHBondContact O-N 2.99Å; L268-R271 PolarHBondContact O-N 3.48Å; F269-R271 VanDerWaalsContact C-N 3.25Å; F269-R271 PolarHBondContact O-N 3.29Å; R271-A274 PolarHBondContact O-N 3.41Å
272	Q	96.6	Very high	94.4	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-46	-179.2	-173.4	-170.3	-21.6	0	0	111.5	W228 L268 F269 A274 I275 L277 T283	W228-Q272 HydrophobicContact CB-CG 4.03Å; W228-Q272 VanDerWaalsContact CB-OE1 3.27Å; W228-Q272 HydrophobicContact CD2-CB 3.76Å; W228-Q272 HydrophobicContact CD2-CG 3.87Å; W228-Q272 HydrophobicContact CE3-CB 3.79Å; W228-Q272 HydrophobicContact CE3-CG 4.4Å; W228-Q272 HydrophobicContact CG-CB 4.09Å; W228-Q272 HydrophobicContact CG-CG 3.68Å; W228-Q272 HydrophobicContact CZ3-CB 4.3Å; L268-Q272 WeakPolarHBondContact O-CB 3.38Å; L268-Q272 PolarHBondContact O-N 2.93Å; F269-Q272 PolarHBondContact O-N 3.25Å; Q272-A274 PolarHBondContact O-N 3.47Å; Q272-A274 VanDerWaalsContact O-N 3.08Å; Q272-I275 WeakPolarHBondContact O-CB 3.36Å; Q272-I275 PolarHBondContact O-N 2.86Å; Q272-L277 HydrophobicContact CG-CD1 3.94Å; Q272-T283 PolarHBondContact NE2-OG1 3.43Å
273	L	96.4	Very high	94.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.5	-178.1	-68.3	171.3	0	0	0	113.3	F269 I275 T283 F284 Y287 V299 Y303	F269-L273 WeakPolarHBondContact O-CB 3.23Å; F269-L273 VanDerWaalsContact O-CG 3.26Å; F269-L273 WeakPolarHBondContact O-CG 3.35Å; F269-L273 PolarHBondContact O-N 2.99Å; L273-I275 VanDerWaalsContact C-N 3.33Å; L273-T283 HydrophobicContact CD2-CG2 4.15Å; L273-F284 HydrophobicContact CD1-CD2 4.16Å; L273-F284 HydrophobicContact CD2-CB 3.93Å; L273-F284 HydrophobicContact CD2-CD2 4.3Å; L273-Y287 HydrophobicContact CD1-CD1 3.78Å; L273-Y287 HydrophobicContact CD1-CG 4.25Å; L273-V299 HydrophobicContact CD1-CG1 4.39Å; L273-Y303 HydrophobicContact CB-CD2 4.4Å; L273-Y303 HydrophobicContact CD2-CD2 3.94Å; L273-Y303 HydrophobicContact CD2-CE2 4.21Å; L273-Y303 VanDerWaalsContact O-CA 3.26Å; L273-Y303 WeakPolarHBondContact O-CA 3.44Å
274	A	96.7	Very high	95.1	Very high	45 Å²	45	37.5 Å²	37.5	37%	0.372	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-0.2	172.9	0	0	0	0	0	114	R271 Q272 N302	R271-A274 PolarHBondContact O-N 3.41Å; Q272-A274 PolarHBondContact O-N 3.47Å; Q272-A274 VanDerWaalsContact O-N 3.08Å; A274-N302 HydrophobicContact CB-CB 4.16Å
275	I	95.7	Very high	95.3	Very high	24 Å²	24	36.9 Å²	36.9	12%	0.123	20%	0.2	C	C	.	.	S	Bend	trans	-114.9	134	-175.9	-61.2	164.9	0	0	0	109.3	L219 W228 Q272 L273 L277	L219-I275 HydrophobicContact CD2-CD1 4.02Å; L219-I275 HydrophobicContact CD2-CG1 4.05Å; L219-I275 HydrophobicContact CD2-CG2 3.64Å; W228-I275 HydrophobicContact CH2-CD1 4.14Å; W228-I275 HydrophobicContact CZ2-CD1 3.38Å; Q272-I275 WeakPolarHBondContact O-CB 3.36Å; Q272-I275 PolarHBondContact O-N 2.86Å; L273-I275 VanDerWaalsContact C-N 3.33Å; I275-L277 HydrophobicContact CG2-CD2 4.15Å; I275-L277 HydrophobicContact CG2-CG 3.99Å; I275-L277 PolarHBondContact O-N 3.45Å
276	P	95.9	Very high	95.5	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.026	22%	0.217	C	C	.	.			trans	-70	112.8	171.5	30.3	-35.2	0	0	0	110.2	M221 Q309 L310 Y313	M221-P276 HydrophobicContact CE-CB 3.81Å; M221-P276 HydrophobicContact CE-CG 3.8Å; M221-P276 HydrophobicContact SD-CB 4.42Å; P276-Q309 HydrophobicContact CB-CB 3.93Å; P276-Q309 HydrophobicContact CG-CB 3.95Å; P276-L310 HydrophobicContact CB-CB 4.07Å; P276-Y313 HydrophobicContact CG-CD2 4.34Å; P276-Y313 HydrophobicContact CG-CE2 4.26Å
277	L	94.2	Very high	95.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.			trans	-133.6	156.7	173.3	-64	175.9	0	0	0	108.9	Q272 I275 M280 L310	Q272-L277 HydrophobicContact CG-CD1 3.94Å; I275-L277 HydrophobicContact CG2-CD2 4.15Å; I275-L277 HydrophobicContact CG2-CG 3.99Å; I275-L277 PolarHBondContact O-N 3.45Å; L277-M280 WeakPolarHBondContact O-CG 3.25Å; L277-L310 VanDerWaalsContact O-CD2 3.31Å; L277-L310 WeakPolarHBondContact O-CD2 3.46Å
278	Y	93.5	Very high	95.5	Very high	67 Å²	67	43.2 Å²	43.2	26%	0.263	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	149.4	169.4	-87.1	-109.6	0	0	0	110.7	M221 T222 M280 L310 E317	M221-Y278 HydrophobicContact CB-CD2 4.16Å; M221-Y278 HydrophobicContact CB-CE2 4.35Å; M221-Y278 PolarHBondContact O-N 3.29Å; T222-Y278 HydrophobicContact CG2-CD2 4.14Å; T222-Y278 HydrophobicContact CG2-CE2 4.44Å; T222-Y278 HydrophobicContact CG2-CG 4.45Å; Y278-M280 PolarHBondContact O-N 3.18Å; Y278-L310 HydrophobicContact CD2-CD1 4.19Å; Y278-L310 HydrophobicContact CE2-CD1 4.31Å; Y278-E317 HydrophobicContact CE2-CB 4.16Å; Y278-E317 HydrophobicContact CE2-CG 4.21Å
279	D	93.1	Very high	95.5	Very high	113 Å²	113	51.6 Å²	51.6	60%	0.604	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	18.7	179	-53.6	-32.9	0	0	0	116.1	E281 A282	D279-E281 PolarHBondContact O-N 3.29Å; D279-A282 WeakPolarHBondContact O-CB 3.4Å; D279-A282 PolarHBondContact O-N 2.92Å
280	M	93.7	Very high	95.3	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-59.1	-18.4	176.8	65.3	177	-65.1	0	0	114.4	L277 Y278 A282 T283 F284 Y303 A306 L307 L310	L277-M280 WeakPolarHBondContact O-CG 3.25Å; Y278-M280 PolarHBondContact O-N 3.18Å; M280-A282 VanDerWaalsContact C-N 3.34Å; M280-T283 PolarHBondContact O-N 3.38Å; M280-F284 PolarHBondContact O-N 3.03Å; M280-Y303 HydrophobicContact CE-CD2 3.53Å; M280-Y303 HydrophobicContact CE-CE2 3.75Å; M280-A306 HydrophobicContact CE-CB 3.54Å; M280-A306 HydrophobicContact SD-CB 4.28Å; M280-L307 HydrophobicContact CE-CD2 4.24Å; M280-L307 HydrophobicContact CE-CG 4.29Å; M280-L307 HydrophobicContact CG-CD2 3.82Å; M280-L307 HydrophobicContact SD-CD2 3.81Å; M280-L307 HydrophobicContact SD-CG 4.37Å; M280-L310 HydrophobicContact CG-CD2 4.11Å; M280-L310 HydrophobicContact SD-CD2 4.06Å
281	E	95.8	Very high	95.1	Very high	130 Å²	130	52.8 Å²	52.8	61%	0.607	27%	0.271	S	S	*	.	H	α-helix	trans	-65.9	-35.8	170.8	-59.6	-173.8	173	0	0	112	D279 F284 A285 Y303 L307	D279-E281 PolarHBondContact O-N 3.29Å; E281-F284 PolarHBondContact O-N 3.34Å; E281-A285 PolarHBondContact O-N 3.46Å; E281-A285 VanDerWaalsContact O-N 3.12Å; E281-Y303 WeakPolarHBondContact CA-OH 3.27Å; E281-L307 HydrophobicContact CG-CD2 3.78Å
282	A	96.4	Very high	94.6	Very high	65 Å²	65	57.8 Å²	57.8	54%	0.537	30%	0.298	S	S	.	.	H	α-helix	trans	-69.9	-38.9	174.8	0	0	0	0	0	111.4	D279 M280 F284 A285 E286	D279-A282 WeakPolarHBondContact O-CB 3.4Å; D279-A282 PolarHBondContact O-N 2.92Å; M280-A282 VanDerWaalsContact C-N 3.34Å; A282-F284 VanDerWaalsContact C-N 3.29Å; A282-F284 PolarHBondContact O-N 2.9Å; A282-A285 PolarHBondContact O-N 2.87Å; A282-E286 WeakPolarHBondContact O-CB 3.29Å; A282-E286 PolarHBondContact O-N 2.79Å
283	T	95.6	Very high	94.3	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-31.3	172.6	-49.8	0	0	0	0	112.4	F269 Q272 L273 M280 Y287	F269-T283 HydrophobicContact CD1-CG2 3.94Å; F269-T283 HydrophobicContact CE1-CG2 4.07Å; Q272-T283 PolarHBondContact NE2-OG1 3.43Å; L273-T283 HydrophobicContact CD2-CG2 4.15Å; M280-T283 PolarHBondContact O-N 3.38Å; T283-Y287 WeakPolarHBondContact O-CB 3.18Å; T283-Y287 PolarHBondContact O-N 3.14Å
284	F	96.1	Very high	94	Very high	25 Å²	25	69 Å²	69	11%	0.11	36%	0.364	C	S	.	.	H	α-helix	trans	-67.3	-45.5	174	-172.9	-84.8	0	0	0	111.1	L273 M280 E281 A282 Y287 E288 V295 I300 Y303	L273-F284 HydrophobicContact CD1-CD2 4.16Å; L273-F284 HydrophobicContact CD2-CB 3.93Å; L273-F284 HydrophobicContact CD2-CD2 4.3Å; M280-F284 PolarHBondContact O-N 3.03Å; E281-F284 PolarHBondContact O-N 3.34Å; A282-F284 VanDerWaalsContact C-N 3.29Å; A282-F284 PolarHBondContact O-N 2.9Å; F284-Y287 PolarHBondContact O-N 3.32Å; F284-E288 WeakPolarHBondContact O-CB 3.42Å; F284-E288 PolarHBondContact O-N 3.41Å; F284-V295 HydrophobicContact CE2-CG1 4.27Å; F284-V295 HydrophobicContact CZ-CG1 4.46Å; F284-I300 HydrophobicContact CE2-CG1 4.28Å; F284-I300 HydrophobicContact CZ-CG1 4.21Å; F284-Y303 HydrophobicContact CB-CD2 4.26Å; F284-Y303 HydrophobicContact CB-CE1 4.23Å; F284-Y303 HydrophobicContact CB-CE2 3.57Å; F284-Y303 HydrophobicContact CD1-CE1 4.32Å; F284-Y303 AromaticContact CD2-CD1 3.56Å; F284-Y303 HydrophobicContact CD2-CD1 3.56Å; F284-Y303 AromaticContact CD2-CD2 3.77Å; F284-Y303 HydrophobicContact CD2-CD2 3.77Å; F284-Y303 AromaticContact CD2-CE1 3.62Å; F284-Y303 HydrophobicContact CD2-CE1 3.62Å; F284-Y303 AromaticContact CD2-CE2 3.85Å; F284-Y303 HydrophobicContact CD2-CE2 3.85Å; F284-Y303 AromaticContact CD2-CG 3.62Å; F284-Y303 HydrophobicContact CD2-CG 3.62Å; F284-Y303 AromaticContact CD2-CZ 3.75Å; F284-Y303 AromaticContact CE2-CD1 3.76Å; F284-Y303 HydrophobicContact CE2-CD1 3.76Å; F284-Y303 HydrophobicContact CE2-CE1 4.06Å; F284-Y303 HydrophobicContact CE2-CG 4.06Å; F284-Y303 HydrophobicContact CG-CD1 4.21Å; F284-Y303 HydrophobicContact CG-CD2 4.34Å; F284-Y303 AromaticContact CG-CE1 3.77Å; F284-Y303 HydrophobicContact CG-CE1 3.77Å; F284-Y303 AromaticContact CG-CE2 3.93Å; F284-Y303 HydrophobicContact CG-CE2 3.93Å; F284-Y303 HydrophobicContact CG-CG 4.46Å; F284-Y303 AromaticContact CG-CZ 3.61Å
285	A	96	Very high	93.9	Very high	53 Å²	53	67.6 Å²	67.6	44%	0.438	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-40.9	175.4	0	0	0	0	0	112.5	E281 A282 Y287 E288 E289	E281-A285 PolarHBondContact O-N 3.46Å; E281-A285 VanDerWaalsContact O-N 3.12Å; A282-A285 PolarHBondContact O-N 2.87Å; A285-Y287 VanDerWaalsContact C-N 3.33Å; A285-Y287 PolarHBondContact O-N 3.04Å; A285-E288 PolarHBondContact O-N 3.24Å; A285-E289 PolarHBondContact O-N 3.26Å
286	E	95.7	Very high	93.8	Very high	76 Å²	76	69.1 Å²	69.1	36%	0.355	36%	0.363	S	S	.	.	H	α-helix	trans	-56	-46.6	171.8	-178.3	-161.1	161.6	0	0	111.1	R232 F269 A282 E289 W290	R232-E286 IonicContact CZ-OE1 3.99Å; R232-E286 IonicContact CZ-OE2 3.4Å; R232-E286 IonicContact NE-OE1 3.69Å; R232-E286 PolarHBondContact NE-OE1 3.45Å; R232-E286 IonicContact NE-OE2 3.33Å; R232-E286 VanDerWaalsContact NH2-CD 3.31Å; R232-E286 IonicContact NH2-OE1 3.26Å; R232-E286 PolarHBondContact NH2-OE1 2.61Å; R232-E286 VanDerWaalsContact NH2-OE1 3.08Å; R232-E286 IonicContact NH2-OE2 3.44Å; R232-E286 PolarHBondContact NH2-OE2 3.36Å; F269-E286 HydrophobicContact CE1-CB 4.48Å; F269-E286 VanDerWaalsContact CE1-CD 3.49Å; F269-E286 HydrophobicContact CE1-CG 4.02Å; F269-E286 WeakPolarHBondContact CE1-OE1 3.35Å; F269-E286 HydrophobicContact CZ-CG 4.06Å; F269-E286 VanDerWaalsContact CZ-OE1 3.22Å; F269-E286 WeakPolarHBondContact CZ-OE1 3.3Å; A282-E286 WeakPolarHBondContact O-CB 3.29Å; A282-E286 PolarHBondContact O-N 2.79Å; E286-E289 PolarHBondContact O-N 3.26Å; E286-W290 WeakPolarHBondContact O-CB 3.06Å; E286-W290 PolarHBondContact O-N 3.33Å
287	Y	95.3	Very high	93.7	Very high	2 Å²	2	76 Å²	76	1%	0.008	39%	0.394	C	S	.	.	H	α-helix	trans	-69.8	-34.3	-179.9	-172.9	-126.2	0	0	0	113	H266 F269 R270 L273 T283 F284 A285 W290 S291 V295	H266-Y287 HydrophobicContact CB-CE2 4.44Å; H266-Y287 AromaticContact ND1-CE2 3.51Å; H266-Y287 AromaticContact ND1-CZ 3.68Å; H266-Y287 PolarHBondContact ND1-OH 3.44Å; F269-Y287 HydrophobicContact CB-CD1 4.32Å; F269-Y287 HydrophobicContact CB-CD2 3.4Å; F269-Y287 HydrophobicContact CB-CE1 4.48Å; F269-Y287 HydrophobicContact CB-CE2 3.58Å; F269-Y287 HydrophobicContact CB-CG 3.8Å; F269-Y287 AromaticContact CD1-CD2 3.8Å; F269-Y287 HydrophobicContact CD1-CD2 3.8Å; F269-Y287 AromaticContact CD1-CG 3.97Å; F269-Y287 HydrophobicContact CD1-CG 3.97Å; F269-Y287 AromaticContact CD2-CD2 3.29Å; F269-Y287 HydrophobicContact CD2-CD2 3.29Å; F269-Y287 AromaticContact CD2-CE2 3.7Å; F269-Y287 HydrophobicContact CD2-CE2 3.7Å; F269-Y287 HydrophobicContact CD2-CG 4.27Å; F269-Y287 HydrophobicContact CE1-CD2 4.29Å; F269-Y287 AromaticContact CE2-CD2 3.86Å; F269-Y287 HydrophobicContact CE2-CD2 3.86Å; F269-Y287 AromaticContact CG-CD2 3.24Å; F269-Y287 HydrophobicContact CG-CD2 3.24Å; F269-Y287 AromaticContact CG-CE2 3.82Å; F269-Y287 HydrophobicContact CG-CE2 3.82Å; F269-Y287 AromaticContact CG-CG 3.81Å; F269-Y287 HydrophobicContact CG-CG 3.81Å; F269-Y287 HydrophobicContact CZ-CD2 4.31Å; R270-Y287 HydrophobicContact CG-CE1 4.48Å; R270-Y287 PolarHBondContact NE-OH 3.17Å; L273-Y287 HydrophobicContact CD1-CD1 3.78Å; L273-Y287 HydrophobicContact CD1-CG 4.25Å; T283-Y287 WeakPolarHBondContact O-CB 3.18Å; T283-Y287 PolarHBondContact O-N 3.14Å; F284-Y287 PolarHBondContact O-N 3.32Å; A285-Y287 VanDerWaalsContact C-N 3.33Å; A285-Y287 PolarHBondContact O-N 3.04Å; Y287-W290 HydrophobicContact CD2-CE3 4.04Å; Y287-W290 HydrophobicContact CD2-CZ3 4.45Å; Y287-W290 HydrophobicContact CE2-CE3 4.11Å; Y287-W290 HydrophobicContact CE2-CZ3 4.11Å; Y287-S291 WeakPolarHBondContact O-CB 3.35Å; Y287-S291 PolarHBondContact O-N 3.01Å; Y287-V295 HydrophobicContact CD1-CG1 4.26Å; Y287-V295 HydrophobicContact CD1-CG2 3.81Å; Y287-V295 HydrophobicContact CE1-CB 4.49Å; Y287-V295 HydrophobicContact CE1-CG1 4.01Å; Y287-V295 HydrophobicContact CE1-CG2 3.91Å
288	E	94.4	Very high	93.8	Very high	122 Å²	122	79.4 Å²	79.4	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-73	-30.3	175.8	-170.7	169.1	-117.7	0	0	112.7	F284 A285	F284-E288 WeakPolarHBondContact O-CB 3.42Å; F284-E288 PolarHBondContact O-N 3.41Å; A285-E288 PolarHBondContact O-N 3.24Å
289	E	94.3	Very high	93.9	Very high	180 Å²	180	76.9 Å²	76.9	84%	0.841	41%	0.41	S	S	*	.	H	α-helix	trans	-80.1	-31.9	171.6	-173	173.9	-173.3	0	0	112.7	A285 E286	A285-E289 PolarHBondContact O-N 3.26Å; E286-E289 PolarHBondContact O-N 3.26Å
290	W	93.4	Very high	94	Very high	91 Å²	91	74.3 Å²	74.3	35%	0.345	40%	0.395	S	S	.	.	H	α-helix	trans	-83.8	-31.8	-177.4	179.4	87.3	0	0	0	114.2	L262 V265 H266 F269 E286 Y287 E292	L262-W290 HydrophobicContact CD1-CH2 3.62Å; L262-W290 HydrophobicContact CD1-CZ2 3.73Å; L262-W290 HydrophobicContact CG-CH2 4.49Å; V265-W290 HydrophobicContact CB-CH2 3.74Å; V265-W290 HydrophobicContact CB-CZ2 4.03Å; V265-W290 HydrophobicContact CG1-CH2 3.53Å; V265-W290 HydrophobicContact CG1-CZ2 3.56Å; V265-W290 HydrophobicContact CG1-CZ3 4.17Å; H266-W290 AromaticContact CD2-CH2 3.94Å; H266-W290 AromaticContact CD2-CZ3 3.88Å; H266-W290 AromaticContact CE1-CZ3 3.56Å; H266-W290 AromaticContact CG-CZ3 3.83Å; H266-W290 AromaticContact ND1-CZ3 3.65Å; H266-W290 AromaticContact NE2-CH2 3.91Å; H266-W290 AromaticContact NE2-CZ3 3.7Å; F269-W290 HydrophobicContact CD2-CE3 4.16Å; F269-W290 HydrophobicContact CD2-CZ3 4.21Å; F269-W290 AromaticContact CE2-CD2 3.97Å; F269-W290 HydrophobicContact CE2-CD2 3.97Å; F269-W290 AromaticContact CE2-CE3 3.73Å; F269-W290 HydrophobicContact CE2-CE3 3.73Å; F269-W290 HydrophobicContact CE2-CG 4.48Å; F269-W290 HydrophobicContact CE2-CZ3 4.11Å; E286-W290 WeakPolarHBondContact O-CB 3.06Å; E286-W290 PolarHBondContact O-N 3.33Å; Y287-W290 HydrophobicContact CD2-CE3 4.04Å; Y287-W290 HydrophobicContact CD2-CZ3 4.45Å; Y287-W290 HydrophobicContact CE2-CE3 4.11Å; Y287-W290 HydrophobicContact CE2-CZ3 4.11Å; W290-E292 PolarHBondContact O-N 3.46Å
291	S	90.6	Very high	94.1	Very high	17 Å²	17	79.1 Å²	79.1	12%	0.119	42%	0.418	C	S	.	.			trans	-81.8	115.4	-176.1	-171.7	0	0	0	0	111.6	H266 Y287 D293	H266-S291 PolarHBondContact CE1-OG 2.76Å; Y287-S291 WeakPolarHBondContact O-CB 3.35Å; Y287-S291 PolarHBondContact O-N 3.01Å; S291-D293 WeakPolarHBondContact CB-O 3.47Å; S291-D293 PolarHBondContact O-N 3.18Å; S291-D293 PolarHBondContact OG-O 3.38Å
292	E	87.9	Confident	94.2	Very high	190 Å²	190	76.1 Å²	76.1	89%	0.888	41%	0.406	S	S	*	.	S	Bend	trans	-63.9	-29.6	173.9	-63.2	-175	-165.6	0	0	112.2	W290	W290-E292 PolarHBondContact O-N 3.46Å
293	D	89.6	Confident	94.2	Very high	123 Å²	123	74.1 Å²	74.1	66%	0.658	39%	0.385	S	S	*	.	S	Bend	trans	-91.4	144.6	172.7	-88	-39.7	0	0	0	112.2	S291	S291-D293 WeakPolarHBondContact CB-O 3.47Å; S291-D293 PolarHBondContact O-N 3.18Å; S291-D293 PolarHBondContact OG-O 3.38Å
294	P	90.9	Very high	94.3	Very high	115 Å²	115	77.5 Å²	77.5	75%	0.747	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-57.9	137.7	175.2	-24.5	34.1	0	0	0	113.8	P296	P294-P296 WeakPolarHBondContact O-CD 3.46Å
295	V	92.9	Very high	94.3	Very high	16 Å²	16	81.1 Å²	81.1	10%	0.097	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-59.5	122	178.3	-178.5	0	0	0	0	110.6	F284 Y287 V299 I300	F284-V295 HydrophobicContact CE2-CG1 4.27Å; F284-V295 HydrophobicContact CZ-CG1 4.46Å; Y287-V295 HydrophobicContact CD1-CG1 4.26Å; Y287-V295 HydrophobicContact CD1-CG2 3.81Å; Y287-V295 HydrophobicContact CE1-CB 4.49Å; Y287-V295 HydrophobicContact CE1-CG1 4.01Å; Y287-V295 HydrophobicContact CE1-CG2 3.91Å; V295-V299 HydrophobicContact CG1-CB 4Å; V295-V299 HydrophobicContact CG1-CG1 4.08Å; V295-I300 HydrophobicContact CB-CD1 4.41Å; V295-I300 HydrophobicContact CB-CG1 4.37Å; V295-I300 HydrophobicContact CG1-CD1 4.38Å; V295-I300 HydrophobicContact CG1-CG1 3.82Å; V295-I300 WeakPolarHBondContact O-CD1 3.47Å
296	P	94.6	Very high	94.3	Very high	57 Å²	57	78.7 Å²	78.7	37%	0.37	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-63.3	141.5	-176.7	-24.9	34	0	0	0	113.4	P294 S298 V299 I300	P294-P296 WeakPolarHBondContact O-CD 3.46Å; P296-S298 PolarHBondContact O-N 3.34Å; P296-V299 HydrophobicContact CB-CG2 4.21Å; P296-V299 HydrophobicContact CG-CG2 4.36Å; P296-V299 WeakPolarHBondContact O-CA 3.3Å; P296-V299 WeakPolarHBondContact O-CB 3.39Å; P296-V299 PolarHBondContact O-N 3Å; P296-I300 PolarHBondContact O-N 2.84Å
297	E	93.9	Very high	94.3	Very high	147 Å²	147	76.8 Å²	76.8	69%	0.687	39%	0.39	S	S	*	.	H	α-helix	trans	-53.4	-33.3	-179.6	-73	-165.2	166.8	0	0	113.7	V299 I300 Q301	E297-V299 VanDerWaalsContact C-N 3.28Å; E297-V299 PolarHBondContact O-N 2.93Å; E297-I300 PolarHBondContact O-N 3.16Å; E297-Q301 WeakPolarHBondContact O-CB 3.36Å; E297-Q301 VanDerWaalsContact O-CG 3.24Å; E297-Q301 WeakPolarHBondContact O-CG 3.36Å; E297-Q301 PolarHBondContact O-N 3.36Å
298	S	95.6	Very high	94.4	Very high	73 Å²	73	83.3 Å²	83.3	51%	0.51	42%	0.421	S	S	.	.	H	α-helix	trans	-62.8	-33.9	176.8	54.6	0	0	0	0	112.9	P296 N302	P296-S298 PolarHBondContact O-N 3.34Å; S298-N302 VanDerWaalsContact O-CG 3.25Å; S298-N302 PolarHBondContact O-N 3.44Å; S298-N302 PolarHBondContact O-ND2 2.67Å
299	V	95.7	Very high	94.4	Very high	13 Å²	13	81.1 Å²	81.1	8%	0.079	41%	0.411	C	S	.	.	H	α-helix	trans	-72.5	-47.2	174.5	-174.4	0	0	0	0	109.3	R270 L273 V295 P296 E297 Q301 N302 Y303	R270-V299 HydrophobicContact CB-CG2 4.4Å; R270-V299 HydrophobicContact CG-CG1 4.32Å; R270-V299 HydrophobicContact CG-CG2 3.85Å; L273-V299 HydrophobicContact CD1-CG1 4.39Å; V295-V299 HydrophobicContact CG1-CB 4Å; V295-V299 HydrophobicContact CG1-CG1 4.08Å; P296-V299 HydrophobicContact CB-CG2 4.21Å; P296-V299 HydrophobicContact CG-CG2 4.36Å; P296-V299 WeakPolarHBondContact O-CA 3.3Å; P296-V299 WeakPolarHBondContact O-CB 3.39Å; P296-V299 PolarHBondContact O-N 3Å; E297-V299 VanDerWaalsContact C-N 3.28Å; E297-V299 PolarHBondContact O-N 2.93Å; V299-Q301 VanDerWaalsContact C-N 3.31Å; V299-Q301 PolarHBondContact O-N 2.86Å; V299-N302 PolarHBondContact O-N 3.5Å; V299-Y303 WeakPolarHBondContact O-CB 3.1Å; V299-Y303 PolarHBondContact O-N 3.4Å
300	I	95.6	Very high	94.4	Very high	59 Å²	59	73.9 Å²	73.9	30%	0.303	38%	0.378	S	S	.	.	H	α-helix	trans	-58.3	-42.1	176.7	-58.9	175.8	0	0	0	111	F284 V295 P296 E297 N302 Y303 N304	F284-I300 HydrophobicContact CE2-CG1 4.28Å; F284-I300 HydrophobicContact CZ-CG1 4.21Å; V295-I300 HydrophobicContact CB-CD1 4.41Å; V295-I300 HydrophobicContact CB-CG1 4.37Å; V295-I300 HydrophobicContact CG1-CD1 4.38Å; V295-I300 HydrophobicContact CG1-CG1 3.82Å; V295-I300 WeakPolarHBondContact O-CD1 3.47Å; P296-I300 PolarHBondContact O-N 2.84Å; E297-I300 PolarHBondContact O-N 3.16Å; I300-N302 VanDerWaalsContact C-N 3.34Å; I300-N302 PolarHBondContact O-N 3.41Å; I300-Y303 PolarHBondContact O-N 3.3Å; I300-N304 WeakPolarHBondContact CG2-ND2 3.49Å; I300-N304 WeakPolarHBondContact O-CB 3.43Å; I300-N304 PolarHBondContact O-N 2.9Å; I300-N304 PolarHBondContact O-ND2 2.96Å
301	Q	96.6	Very high	94.5	Very high	104 Å²	104	75.2 Å²	75.2	49%	0.486	39%	0.388	S	S	.	.	H	α-helix	trans	-65.4	-34.1	176.2	-74.6	176.2	30.5	0	0	112.8	E297 V299 K305	E297-Q301 WeakPolarHBondContact O-CB 3.36Å; E297-Q301 VanDerWaalsContact O-CG 3.24Å; E297-Q301 WeakPolarHBondContact O-CG 3.36Å; E297-Q301 PolarHBondContact O-N 3.36Å; V299-Q301 VanDerWaalsContact C-N 3.31Å; V299-Q301 PolarHBondContact O-N 2.86Å; Q301-K305 WeakPolarHBondContact O-CD 3.2Å; Q301-K305 WeakPolarHBondContact O-CE 3.41Å; Q301-K305 VanDerWaalsContact O-CG 3.25Å; Q301-K305 WeakPolarHBondContact O-CG 3.46Å; Q301-K305 PolarHBondContact O-N 3.05Å
302	N	96.6	Very high	94.7	Very high	68 Å²	68	78.7 Å²	78.7	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-77.8	-39.6	177.5	-70.4	-17.7	0	0	0	111.7	A274 S298 V299 I300 N304 K305 A306	A274-N302 HydrophobicContact CB-CB 4.16Å; S298-N302 VanDerWaalsContact O-CG 3.25Å; S298-N302 PolarHBondContact O-N 3.44Å; S298-N302 PolarHBondContact O-ND2 2.67Å; V299-N302 PolarHBondContact O-N 3.5Å; I300-N302 VanDerWaalsContact C-N 3.34Å; I300-N302 PolarHBondContact O-N 3.41Å; N302-N304 PolarHBondContact O-N 3.02Å; N302-K305 WeakPolarHBondContact O-CB 3.25Å; N302-K305 PolarHBondContact O-N 3.31Å; N302-K305 VanDerWaalsContact O-N 3.14Å; N302-K305 PolarHBondContact OD1-NZ 3.46Å; N302-A306 PolarHBondContact O-N 3.22Å
303	Y	97.4	Very high	95.1	Very high	22 Å²	22	69.8 Å²	69.8	9%	0.086	36%	0.359	C	S	.	.	H	α-helix	trans	-55.7	-48.1	170.2	170.2	-108.2	0	0	0	112.6	L273 M280 E281 F284 V299 I300 K305 A306 L307	L273-Y303 HydrophobicContact CB-CD2 4.4Å; L273-Y303 HydrophobicContact CD2-CD2 3.94Å; L273-Y303 HydrophobicContact CD2-CE2 4.21Å; L273-Y303 VanDerWaalsContact O-CA 3.26Å; L273-Y303 WeakPolarHBondContact O-CA 3.44Å; M280-Y303 HydrophobicContact CE-CD2 3.53Å; M280-Y303 HydrophobicContact CE-CE2 3.75Å; E281-Y303 WeakPolarHBondContact CA-OH 3.27Å; F284-Y303 HydrophobicContact CB-CD2 4.26Å; F284-Y303 HydrophobicContact CB-CE1 4.23Å; F284-Y303 HydrophobicContact CB-CE2 3.57Å; F284-Y303 HydrophobicContact CD1-CE1 4.32Å; F284-Y303 AromaticContact CD2-CD1 3.56Å; F284-Y303 HydrophobicContact CD2-CD1 3.56Å; F284-Y303 AromaticContact CD2-CD2 3.77Å; F284-Y303 HydrophobicContact CD2-CD2 3.77Å; F284-Y303 AromaticContact CD2-CE1 3.62Å; F284-Y303 HydrophobicContact CD2-CE1 3.62Å; F284-Y303 AromaticContact CD2-CE2 3.85Å; F284-Y303 HydrophobicContact CD2-CE2 3.85Å; F284-Y303 AromaticContact CD2-CG 3.62Å; F284-Y303 HydrophobicContact CD2-CG 3.62Å; F284-Y303 AromaticContact CD2-CZ 3.75Å; F284-Y303 AromaticContact CE2-CD1 3.76Å; F284-Y303 HydrophobicContact CE2-CD1 3.76Å; F284-Y303 HydrophobicContact CE2-CE1 4.06Å; F284-Y303 HydrophobicContact CE2-CG 4.06Å; F284-Y303 HydrophobicContact CG-CD1 4.21Å; F284-Y303 HydrophobicContact CG-CD2 4.34Å; F284-Y303 AromaticContact CG-CE1 3.77Å; F284-Y303 HydrophobicContact CG-CE1 3.77Å; F284-Y303 AromaticContact CG-CE2 3.93Å; F284-Y303 HydrophobicContact CG-CE2 3.93Å; F284-Y303 HydrophobicContact CG-CG 4.46Å; F284-Y303 AromaticContact CG-CZ 3.61Å; V299-Y303 WeakPolarHBondContact O-CB 3.1Å; V299-Y303 PolarHBondContact O-N 3.4Å; I300-Y303 PolarHBondContact O-N 3.3Å; Y303-K305 VanDerWaalsContact C-N 3.29Å; Y303-K305 PolarHBondContact O-N 3.48Å; Y303-A306 WeakPolarHBondContact O-CB 3.39Å; Y303-A306 PolarHBondContact O-N 2.85Å; Y303-A306 VanDerWaalsContact O-N 3.07Å; Y303-L307 HydrophobicContact CD1-CD1 4.23Å; Y303-L307 HydrophobicContact CE1-CD1 3.63Å; Y303-L307 HydrophobicContact CE1-CG 4.42Å; Y303-L307 HydrophobicContact CE2-CD1 4.16Å; Y303-L307 HydrophobicContact CE2-CD2 4.31Å; Y303-L307 HydrophobicContact CE2-CG 4.13Å; Y303-L307 PolarHBondContact O-N 3.44Å
304	N	97.1	Very high	95.3	Very high	75 Å²	75	67.1 Å²	67.1	40%	0.401	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-32.5	175.9	-81.6	-76.3	0	0	0	113.3	I300 N302 Q308	I300-N304 WeakPolarHBondContact CG2-ND2 3.49Å; I300-N304 WeakPolarHBondContact O-CB 3.43Å; I300-N304 PolarHBondContact O-N 2.9Å; I300-N304 PolarHBondContact O-ND2 2.96Å; N302-N304 PolarHBondContact O-N 3.02Å; N304-Q308 VanDerWaalsContact O-CG 3.29Å; N304-Q308 WeakPolarHBondContact O-CG 3.44Å; N304-Q308 PolarHBondContact O-N 2.8Å
305	K	96.3	Very high	95.6	Very high	101 Å²	101	65.2 Å²	65.2	44%	0.439	33%	0.329	S	S	.	.	H	α-helix	trans	-71	-38.2	172.5	-65.1	161.1	-156.6	158.7	0	111.5	Q301 N302 Y303 Q308 Q309	Q301-K305 WeakPolarHBondContact O-CD 3.2Å; Q301-K305 WeakPolarHBondContact O-CE 3.41Å; Q301-K305 VanDerWaalsContact O-CG 3.25Å; Q301-K305 WeakPolarHBondContact O-CG 3.46Å; Q301-K305 PolarHBondContact O-N 3.05Å; N302-K305 WeakPolarHBondContact O-CB 3.25Å; N302-K305 PolarHBondContact O-N 3.31Å; N302-K305 VanDerWaalsContact O-N 3.14Å; N302-K305 PolarHBondContact OD1-NZ 3.46Å; Y303-K305 VanDerWaalsContact C-N 3.29Å; Y303-K305 PolarHBondContact O-N 3.48Å; K305-Q308 PolarHBondContact O-N 2.88Å; K305-Q309 WeakPolarHBondContact O-CG 3.25Å; K305-Q309 PolarHBondContact O-N 3.21Å
306	A	96.1	Very high	95.7	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-67.1	-41.1	176.9	0	0	0	0	0	111.8	M280 N302 Y303 Q308 Q309 L310	M280-A306 HydrophobicContact CE-CB 3.54Å; M280-A306 HydrophobicContact SD-CB 4.28Å; N302-A306 PolarHBondContact O-N 3.22Å; Y303-A306 WeakPolarHBondContact O-CB 3.39Å; Y303-A306 PolarHBondContact O-N 2.85Å; Y303-A306 VanDerWaalsContact O-N 3.07Å; A306-Q308 PolarHBondContact O-N 3.26Å; A306-Q309 CarbonylContact O-C 3.54Å; A306-Q309 WeakPolarHBondContact O-CA 3.46Å; A306-Q309 WeakPolarHBondContact O-CB 3.48Å; A306-Q309 PolarHBondContact O-N 3.04Å; A306-Q309 VanDerWaalsContact O-N 3.11Å; A306-L310 PolarHBondContact O-N 3.23Å
307	L	96.1	Very high	95.7	Very high	36 Å²	36	65.6 Å²	65.6	19%	0.188	32%	0.322	C	S	.	.	H	α-helix	trans	-59.1	-44	170.2	-71.4	176.3	0	0	0	112.6	M280 E281 Y303 Q309 L310 E311	M280-L307 HydrophobicContact CE-CD2 4.24Å; M280-L307 HydrophobicContact CE-CG 4.29Å; M280-L307 HydrophobicContact CG-CD2 3.82Å; M280-L307 HydrophobicContact SD-CD2 3.81Å; M280-L307 HydrophobicContact SD-CG 4.37Å; E281-L307 HydrophobicContact CG-CD2 3.78Å; Y303-L307 HydrophobicContact CD1-CD1 4.23Å; Y303-L307 HydrophobicContact CE1-CD1 3.63Å; Y303-L307 HydrophobicContact CE1-CG 4.42Å; Y303-L307 HydrophobicContact CE2-CD1 4.16Å; Y303-L307 HydrophobicContact CE2-CD2 4.31Å; Y303-L307 HydrophobicContact CE2-CG 4.13Å; Y303-L307 PolarHBondContact O-N 3.44Å; L307-Q309 PolarHBondContact O-N 3.05Å; L307-L310 WeakPolarHBondContact O-CB 3.39Å; L307-L310 PolarHBondContact O-N 2.83Å; L307-L310 VanDerWaalsContact O-N 3.16Å; L307-E311 PolarHBondContact O-N 3.15Å
308	Q	96	Very high	95.8	Very high	140 Å²	140	63.1 Å²	63.1	65%	0.654	31%	0.311	S	S	*	.	H	α-helix	trans	-63.3	-30.7	175.1	-72.2	171.9	22	0	0	112.7	N304 K305 A306 K312	N304-Q308 VanDerWaalsContact O-CG 3.29Å; N304-Q308 WeakPolarHBondContact O-CG 3.44Å; N304-Q308 PolarHBondContact O-N 2.8Å; K305-Q308 PolarHBondContact O-N 2.88Å; A306-Q308 PolarHBondContact O-N 3.26Å; Q308-K312 WeakPolarHBondContact O-CB 3.29Å; Q308-K312 PolarHBondContact O-N 3.19Å
309	Q	94.5	Very high	95.7	Very high	76 Å²	76	61.7 Å²	61.7	36%	0.355	30%	0.303	S	S	.	.	H	α-helix	trans	-72.5	-43.4	170.7	-74	-175.6	26.8	0	0	111.8	P276 K305 A306 L307 E311 K312 Y313	P276-Q309 HydrophobicContact CB-CB 3.93Å; P276-Q309 HydrophobicContact CG-CB 3.95Å; K305-Q309 WeakPolarHBondContact O-CG 3.25Å; K305-Q309 PolarHBondContact O-N 3.21Å; A306-Q309 CarbonylContact O-C 3.54Å; A306-Q309 WeakPolarHBondContact O-CA 3.46Å; A306-Q309 WeakPolarHBondContact O-CB 3.48Å; A306-Q309 PolarHBondContact O-N 3.04Å; A306-Q309 VanDerWaalsContact O-N 3.11Å; L307-Q309 PolarHBondContact O-N 3.05Å; Q309-E311 PolarHBondContact O-N 3.4Å; Q309-K312 CarbonylContact O-C 3.54Å; Q309-K312 WeakPolarHBondContact O-CA 3.45Å; Q309-K312 WeakPolarHBondContact O-CB 3.3Å; Q309-K312 PolarHBondContact O-N 2.9Å; Q309-K312 VanDerWaalsContact O-N 3.07Å; Q309-Y313 HydrophobicContact CB-CD2 4.23Å; Q309-Y313 HydrophobicContact CB-CE2 3.95Å; Q309-Y313 WeakPolarHBondContact O-CD2 3.42Å; Q309-Y313 PolarHBondContact O-N 2.76Å
310	L	94.6	Very high	95.7	Very high	28 Å²	28	61.2 Å²	61.2	15%	0.147	30%	0.3	C	S	.	.	H	α-helix	trans	-55.6	-52.7	178.8	-176.7	62.4	0	0	0	111.1	M221 P276 L277 Y278 M280 A306 L307 K312 Y313 K314	M221-L310 HydrophobicContact SD-CD1 3.75Å; P276-L310 HydrophobicContact CB-CB 4.07Å; L277-L310 VanDerWaalsContact O-CD2 3.31Å; L277-L310 WeakPolarHBondContact O-CD2 3.46Å; Y278-L310 HydrophobicContact CD2-CD1 4.19Å; Y278-L310 HydrophobicContact CE2-CD1 4.31Å; M280-L310 HydrophobicContact CG-CD2 4.11Å; M280-L310 HydrophobicContact SD-CD2 4.06Å; A306-L310 PolarHBondContact O-N 3.23Å; L307-L310 WeakPolarHBondContact O-CB 3.39Å; L307-L310 PolarHBondContact O-N 2.83Å; L307-L310 VanDerWaalsContact O-N 3.16Å; L310-K312 PolarHBondContact O-N 3.15Å; L310-Y313 PolarHBondContact O-N 3.12Å; L310-K314 WeakPolarHBondContact O-CB 3.28Å; L310-K314 PolarHBondContact O-N 3.03Å
311	E	95.3	Very high	95.5	Very high	119 Å²	119	64.8 Å²	64.8	56%	0.556	32%	0.319	S	S	*	.	H	α-helix	trans	-61.8	-27.3	178	-168.1	64.3	-161.7	0	0	112.7	L307 Q309 K314 P315	L307-E311 PolarHBondContact O-N 3.15Å; Q309-E311 PolarHBondContact O-N 3.4Å; E311-K314 IonicContact OE1-NZ 2.75Å; E311-K314 PolarHBondContact OE1-NZ 2.95Å; E311-K314 WeakPolarHBondContact OE2-CD 3.26Å; E311-K314 IonicContact OE2-NZ 2.68Å; E311-K314 PolarHBondContact OE2-NZ 2.83Å; E311-P315 WeakPolarHBondContact O-CD 3.48Å
312	K	95.8	Very high	95.3	Very high	89 Å²	89	67.6 Å²	67.6	39%	0.387	33%	0.332	S	S	.	.	H	α-helix	trans	-77.6	-28.2	175.8	-172.6	-135.1	-175.8	-171.5	0	112.9	Q308 Q309 L310 F337	Q308-K312 WeakPolarHBondContact O-CB 3.29Å; Q308-K312 PolarHBondContact O-N 3.19Å; Q309-K312 CarbonylContact O-C 3.54Å; Q309-K312 WeakPolarHBondContact O-CA 3.45Å; Q309-K312 WeakPolarHBondContact O-CB 3.3Å; Q309-K312 PolarHBondContact O-N 2.9Å; Q309-K312 VanDerWaalsContact O-N 3.07Å; L310-K312 PolarHBondContact O-N 3.15Å; K312-F337 HydrophobicContact CD-CZ 3.96Å; K312-F337 HydrophobicContact CG-CZ 4.1Å
313	Y	95.5	Very high	95.1	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-89.4	-30.6	175.5	-69.3	-61.6	0	0	0	113.2	M221 P276 Q309 L310 P315 Y316 E317 Y334 F337 E338 I341 R346	M221-Y313 HydrophobicContact CE-CD2 3.33Å; M221-Y313 HydrophobicContact CE-CE2 4.16Å; M221-Y313 HydrophobicContact CE-CG 3.64Å; P276-Y313 HydrophobicContact CG-CD2 4.34Å; P276-Y313 HydrophobicContact CG-CE2 4.26Å; Q309-Y313 HydrophobicContact CB-CD2 4.23Å; Q309-Y313 HydrophobicContact CB-CE2 3.95Å; Q309-Y313 WeakPolarHBondContact O-CD2 3.42Å; Q309-Y313 PolarHBondContact O-N 2.76Å; L310-Y313 PolarHBondContact O-N 3.12Å; Y313-P315 VanDerWaalsContact C-CD 3.48Å; Y313-Y316 WeakPolarHBondContact O-CA 3.38Å; Y313-Y316 WeakPolarHBondContact O-CB 3.38Å; Y313-Y316 PolarHBondContact O-N 2.93Å; Y313-E317 PolarHBondContact O-N 3.11Å; Y313-Y334 AromaticContact CD1-CE2 3.89Å; Y313-Y334 HydrophobicContact CD1-CE2 3.89Å; Y313-Y334 HydrophobicContact CE1-CE2 4.43Å; Y313-F337 HydrophobicContact CD1-CD1 4.25Å; Y313-F337 AromaticContact CD1-CE1 3.6Å; Y313-F337 HydrophobicContact CD1-CE1 3.6Å; Y313-F337 HydrophobicContact CE1-CD1 4.17Å; Y313-F337 AromaticContact CE1-CE1 3.6Å; Y313-F337 HydrophobicContact CE1-CE1 3.6Å; Y313-E338 VanDerWaalsContact CE1-CD 3.47Å; Y313-E338 HydrophobicContact CE1-CG 4.48Å; Y313-E338 WeakPolarHBondContact CE1-OE1 3.38Å; Y313-E338 PolarHBondContact OH-OE2 3.27Å; Y313-I341 HydrophobicContact CE1-CD1 3.85Å; Y313-R346 PolarHBondContact OH-NE 2.83Å
314	K	94.4	Very high	94.7	Very high	67 Å²	67	73 Å²	73	29%	0.291	36%	0.36	S	S	.	.	H	α-helix	trans	-39.6	-49.4	179	-171.7	179.1	-172.8	-178	0	116.2	L310 E311 Y316 E317 E318	L310-K314 WeakPolarHBondContact O-CB 3.28Å; L310-K314 PolarHBondContact O-N 3.03Å; E311-K314 IonicContact OE1-NZ 2.75Å; E311-K314 PolarHBondContact OE1-NZ 2.95Å; E311-K314 WeakPolarHBondContact OE2-CD 3.26Å; E311-K314 IonicContact OE2-NZ 2.68Å; E311-K314 PolarHBondContact OE2-NZ 2.83Å; K314-Y316 PolarHBondContact O-N 3.48Å; K314-Y316 VanDerWaalsContact O-N 3.16Å; K314-E317 PolarHBondContact O-N 3.14Å; K314-E318 WeakPolarHBondContact CE-OE1 3.19Å; K314-E318 HydrophobicContact CG-CG 4.29Å; K314-E318 VanDerWaalsContact CG-OE1 3.31Å; K314-E318 WeakPolarHBondContact CG-OE1 3.46Å; K314-E318 WeakPolarHBondContact O-CB 3.28Å; K314-E318 WeakPolarHBondContact O-CG 3Å; K314-E318 PolarHBondContact O-N 3.02Å
315	P	96.4	Very high	94.1	Very high	74 Å²	74	73.2 Å²	73.2	48%	0.481	37%	0.373	S	S	.	.	H	α-helix	trans	-64.1	-21.2	178.8	25.2	-35.6	0	0	0	114.2	E311 Y313 A319	E311-P315 WeakPolarHBondContact O-CD 3.48Å; Y313-P315 VanDerWaalsContact C-CD 3.48Å; P315-A319 VanDerWaalsContact O-CB 3.29Å; P315-A319 WeakPolarHBondContact O-CB 3.48Å; P315-A319 PolarHBondContact O-N 3.39Å
316	Y	96.3	Very high	93.5	Very high	70 Å²	70	73 Å²	73	28%	0.275	38%	0.381	S	S	.	.	H	α-helix	trans	-84.4	-38	174.6	-62.1	-93.8	0	0	0	111.9	Y313 K314 A319 L320 Y334 F337	Y313-Y316 WeakPolarHBondContact O-CA 3.38Å; Y313-Y316 WeakPolarHBondContact O-CB 3.38Å; Y313-Y316 PolarHBondContact O-N 2.93Å; K314-Y316 PolarHBondContact O-N 3.48Å; K314-Y316 VanDerWaalsContact O-N 3.16Å; Y316-A319 PolarHBondContact O-N 3.3Å; Y316-L320 WeakPolarHBondContact O-CG 3.28Å; Y316-L320 PolarHBondContact O-N 3.27Å; Y316-Y334 HydrophobicContact CD1-CG 4.25Å; Y316-Y334 HydrophobicContact CG-CD1 4.42Å; Y316-Y334 HydrophobicContact CG-CD2 4.48Å; Y316-Y334 HydrophobicContact CG-CG 4.3Å; Y316-F337 AromaticContact CD2-CD1 3.89Å; Y316-F337 HydrophobicContact CD2-CD1 3.89Å; Y316-F337 AromaticContact CD2-CE1 3.79Å; Y316-F337 HydrophobicContact CD2-CE1 3.79Å; Y316-F337 HydrophobicContact CD2-CZ 4.37Å; Y316-F337 HydrophobicContact CE1-CB 3.83Å; Y316-F337 HydrophobicContact CE1-CD1 4.18Å; Y316-F337 HydrophobicContact CE1-CG 4.01Å; Y316-F337 AromaticContact CE2-CD1 3.52Å; Y316-F337 HydrophobicContact CE2-CD1 3.52Å; Y316-F337 HydrophobicContact CE2-CD2 4.04Å; Y316-F337 AromaticContact CE2-CE1 3.42Å; Y316-F337 HydrophobicContact CE2-CE1 3.42Å; Y316-F337 VanDerWaalsContact CE2-CE1 3.42Å; Y316-F337 AromaticContact CE2-CE2 3.96Å; Y316-F337 HydrophobicContact CE2-CE2 3.96Å; Y316-F337 AromaticContact CE2-CG 3.81Å; Y316-F337 HydrophobicContact CE2-CG 3.81Å; Y316-F337 AromaticContact CE2-CZ 3.62Å; Y316-F337 HydrophobicContact CE2-CZ 3.62Å; Y316-F337 HydrophobicContact CG-CD1 4.38Å; Y316-F337 AromaticContact CZ-CD1 3.68Å; Y316-F337 AromaticContact CZ-CD2 3.74Å; Y316-F337 AromaticContact CZ-CG 3.5Å; Y316-F337 VanDerWaalsContact CZ-CG 3.5Å; Y316-F337 VanDerWaalsContact OH-CD2 3.25Å; Y316-F337 WeakPolarHBondContact OH-CD2 3.37Å; Y316-F337 WeakPolarHBondContact OH-CG 3.34Å
317	E	95.1	Very high	93.3	Very high	11 Å²	11	75.6 Å²	75.6	5%	0.051	39%	0.391	C	S	.	.	H	α-helix	trans	-69.2	-39.6	173.3	-62.9	-66	166.1	0	0	111.7	M221 Y278 Y313 K314 L320 L321 Y334 R353	M221-E317 HydrophobicContact CB-CG 4.27Å; M221-E317 HydrophobicContact CG-CG 4.1Å; M221-E317 VanDerWaalsContact CG-OE1 3.27Å; M221-E317 WeakPolarHBondContact CG-OE1 3.48Å; Y278-E317 HydrophobicContact CE2-CB 4.16Å; Y278-E317 HydrophobicContact CE2-CG 4.21Å; Y313-E317 PolarHBondContact O-N 3.11Å; K314-E317 PolarHBondContact O-N 3.14Å; E317-L320 PolarHBondContact O-N 3.06Å; E317-L321 WeakPolarHBondContact O-CB 3.46Å; E317-L321 PolarHBondContact O-N 2.69Å; E317-Y334 HydrophobicContact CG-CE1 4.14Å; E317-Y334 WeakPolarHBondContact OE1-CE1 3.1Å; E317-Y334 VanDerWaalsContact OE1-CZ 3.31Å; E317-Y334 PolarHBondContact OE1-OH 3.31Å; E317-R353 IonicContact OE1-CZ 3.65Å; E317-R353 IonicContact OE1-NH1 2.7Å; E317-R353 PolarHBondContact OE1-NH1 3.47Å; E317-R353 IonicContact OE1-NH2 2.47Å; E317-R353 PolarHBondContact OE1-NH2 2.86Å; E317-R353 IonicContact OE2-CZ 2.71Å; E317-R353 IonicContact OE2-NH1 2.63Å; E317-R353 IonicContact OE2-NH2 2.71Å; E317-R353 PolarHBondContact OE2-NH2 3.38Å
318	E	94	Very high	93.2	Very high	95 Å²	95	76.1 Å²	76.1	44%	0.444	39%	0.394	S	S	.	.	H	α-helix	trans	-63.8	-40.1	171.9	-72.8	177.7	-174.3	0	0	111.4	K314 L321 Q322	K314-E318 WeakPolarHBondContact CE-OE1 3.19Å; K314-E318 HydrophobicContact CG-CG 4.29Å; K314-E318 VanDerWaalsContact CG-OE1 3.31Å; K314-E318 WeakPolarHBondContact CG-OE1 3.46Å; K314-E318 WeakPolarHBondContact O-CB 3.28Å; K314-E318 WeakPolarHBondContact O-CG 3Å; K314-E318 PolarHBondContact O-N 3.02Å; E318-L321 PolarHBondContact O-N 2.94Å; E318-Q322 VanDerWaalsContact O-CG 3.31Å; E318-Q322 WeakPolarHBondContact O-CG 3.41Å; E318-Q322 PolarHBondContact O-N 3.19Å
319	A	95.3	Very high	93.1	Very high	43 Å²	43	72.8 Å²	72.8	36%	0.355	39%	0.386	S	S	.	.	H	α-helix	trans	-62.8	-42.6	174	0	0	0	0	0	112.3	P315 Y316 L321 Q322 A323 E330	P315-A319 VanDerWaalsContact O-CB 3.29Å; P315-A319 WeakPolarHBondContact O-CB 3.48Å; P315-A319 PolarHBondContact O-N 3.39Å; Y316-A319 PolarHBondContact O-N 3.3Å; A319-L321 VanDerWaalsContact C-N 3.32Å; A319-L321 PolarHBondContact O-N 3.09Å; A319-Q322 PolarHBondContact O-N 3.14Å; A319-A323 WeakPolarHBondContact O-CB 3.45Å; A319-A323 PolarHBondContact O-N 2.92Å; A319-A323 VanDerWaalsContact O-N 3.16Å; A319-E330 HydrophobicContact CB-CG 4.45Å
320	L	94.1	Very high	93.2	Very high	4 Å²	4	72 Å²	72	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-60.2	-41	171.7	-75.1	172.7	0	0	0	111.5	Y316 E317 Q322 A323 R327 E330 Y331 Y334	Y316-L320 WeakPolarHBondContact O-CG 3.28Å; Y316-L320 PolarHBondContact O-N 3.27Å; E317-L320 PolarHBondContact O-N 3.06Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 3.43Å; L320-A323 PolarHBondContact O-N 3.39Å; L320-R327 HydrophobicContact CD2-CB 4.22Å; L320-R327 WeakPolarHBondContact O-CD 3.18Å; L320-R327 PolarHBondContact O-NH1 3.08Å; L320-E330 HydrophobicContact CD2-CB 3.74Å; L320-E330 HydrophobicContact CG-CB 4.38Å; L320-Y331 HydrophobicContact CD1-CD1 4.28Å; L320-Y331 HydrophobicContact CD1-CE1 3.8Å; L320-Y331 HydrophobicContact CD2-CD1 3.94Å; L320-Y331 HydrophobicContact CD2-CD2 3.74Å; L320-Y331 HydrophobicContact CD2-CE1 3.86Å; L320-Y331 HydrophobicContact CD2-CE2 3.64Å; L320-Y331 HydrophobicContact CD2-CG 3.88Å; L320-Y334 HydrophobicContact CD1-CD1 3.85Å; L320-Y334 HydrophobicContact CD1-CE1 4.11Å
321	L	91.5	Very high	93.4	Very high	133 Å²	133	71.1 Å²	71.1	70%	0.696	38%	0.377	S	S	*	.	H	α-helix	trans	-69.7	-28.5	-179.4	-170.9	62.4	0	0	0	113.5	E317 E318 A319	E317-L321 WeakPolarHBondContact O-CB 3.46Å; E317-L321 PolarHBondContact O-N 2.69Å; E318-L321 PolarHBondContact O-N 2.94Å; A319-L321 VanDerWaalsContact C-N 3.32Å; A319-L321 PolarHBondContact O-N 3.09Å
322	Q	92.1	Very high	93.4	Very high	163 Å²	163	69.4 Å²	69.4	76%	0.762	37%	0.369	S	S	*	.	H	α-helix	trans	-87.6	-14.2	178.1	-65	-64.3	-47.6	0	0	114	E318 A319 L320	E318-Q322 VanDerWaalsContact O-CG 3.31Å; E318-Q322 WeakPolarHBondContact O-CG 3.41Å; E318-Q322 PolarHBondContact O-N 3.19Å; A319-Q322 PolarHBondContact O-N 3.14Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 3.43Å
323	A	92.6	Very high	93.5	Very high	25 Å²	25	67.5 Å²	67.5	21%	0.207	37%	0.37	C	S	.	.	S	Bend	trans	-84.4	143.1	-178.2	0	0	0	0	0	113	A319 L320 R327 E330	A319-A323 WeakPolarHBondContact O-CB 3.45Å; A319-A323 PolarHBondContact O-N 2.92Å; A319-A323 VanDerWaalsContact O-N 3.16Å; L320-A323 PolarHBondContact O-N 3.39Å; A323-R327 HydrophobicContact CB-CB 4.28Å; A323-R327 HydrophobicContact CB-CG 3.83Å; A323-R327 WeakPolarHBondContact O-CD 3.25Å; A323-E330 HydrophobicContact CB-CG 3.85Å
324	E	88.9	Confident	93.6	Very high	178 Å²	178	67.3 Å²	67.3	83%	0.832	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-79.5	143.3	173.6	-168.3	171.9	-171.9	0	0	110
325	A	84.6	Confident	93.7	Very high	80 Å²	80	64.1 Å²	64.1	66%	0.661	36%	0.355	S	S	*	.	S	Bend	trans	-75.8	141.7	-178.2	0	0	0	0	0	112
326	P	84.5	Confident	93.8	Very high	96 Å²	96	64.8 Å²	64.8	62%	0.623	36%	0.355	S	S	*	.	S	Bend	cis	-82.7	131.9	1.8	-11.2	29.3	0	0	0	113.9	L328	P326-L328 PolarHBondContact O-N 3.18Å
327	R	92.2	Very high	93.9	Very high	57 Å²	57	63.1 Å²	63.1	22%	0.215	35%	0.349	C	S	.	.			trans	-84.9	39.5	-168.8	-58.3	-177.2	-78.6	-163.2	-4	114.6	L320 A323 S329 E330 Y331 E357	L320-R327 HydrophobicContact CD2-CB 4.22Å; L320-R327 WeakPolarHBondContact O-CD 3.18Å; L320-R327 PolarHBondContact O-NH1 3.08Å; A323-R327 HydrophobicContact CB-CB 4.28Å; A323-R327 HydrophobicContact CB-CG 3.83Å; A323-R327 WeakPolarHBondContact O-CD 3.25Å; R327-S329 PolarHBondContact O-N 2.94Å; R327-E330 PolarHBondContact O-N 3.47Å; R327-Y331 HydrophobicContact CB-CD2 4.1Å; R327-Y331 HydrophobicContact CB-CE2 4.14Å; R327-Y331 VanDerWaalsContact O-CD2 3.29Å; R327-Y331 WeakPolarHBondContact O-CD2 3.46Å; R327-Y331 PolarHBondContact O-N 3.48Å; R327-Y331 VanDerWaalsContact O-N 3.16Å; R327-E357 IonicContact CZ-OE1 2.83Å; R327-E357 IonicContact CZ-OE2 3.59Å; R327-E357 IonicContact NE-OE1 2.73Å; R327-E357 IonicContact NE-OE2 3.2Å; R327-E357 PolarHBondContact NE-OE2 2.84Å; R327-E357 IonicContact NH2-OE1 2.69Å; R327-E357 PolarHBondContact NH2-OE1 2.88Å; R327-E357 IonicContact NH2-OE2 3.51Å; R327-E357 PolarHBondContact NH2-OE2 3.29Å
328	L	93.4	Very high	93.9	Very high	46 Å²	46	62.6 Å²	62.6	24%	0.241	35%	0.347	C	S	.	.	H	α-helix	trans	-61	-40.4	-166.5	-176.2	58.9	0	0	0	113.6	P326 Q332 N358 V361 L364	P326-L328 PolarHBondContact O-N 3.18Å; L328-Q332 HydrophobicContact CD1-CG 4.31Å; L328-Q332 HydrophobicContact CG-CG 4.49Å; L328-Q332 WeakPolarHBondContact O-CB 3.43Å; L328-Q332 VanDerWaalsContact O-CG 3.26Å; L328-Q332 WeakPolarHBondContact O-CG 3.35Å; L328-Q332 PolarHBondContact O-N 2.99Å; L328-N358 WeakPolarHBondContact CB-OD1 3.33Å; L328-N358 HydrophobicContact CD1-CB 4.07Å; L328-V361 HydrophobicContact CD2-CG1 4.38Å; L328-V361 HydrophobicContact CD2-CG2 4.27Å; L328-L364 HydrophobicContact CD1-CD2 4.36Å
329	S	94.9	Very high	94.1	Very high	70 Å²	70	61.4 Å²	61.4	49%	0.49	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-42.6	-178.9	20	0	0	0	0	112.7	R327 Q332 A333	R327-S329 PolarHBondContact O-N 2.94Å; S329-Q332 PolarHBondContact O-N 3.36Å; S329-A333 PolarHBondContact O-N 3.41Å
330	E	96.6	Very high	94.1	Very high	60 Å²	60	68.2 Å²	68.2	28%	0.28	36%	0.363	S	S	.	.	H	α-helix	trans	-72.1	-42.9	-176.9	-69.5	60.4	-135.4	0	0	109.8	A319 L320 A323 R327 A333 Y334	A319-E330 HydrophobicContact CB-CG 4.45Å; L320-E330 HydrophobicContact CD2-CB 3.74Å; L320-E330 HydrophobicContact CG-CB 4.38Å; A323-E330 HydrophobicContact CB-CG 3.85Å; R327-E330 PolarHBondContact O-N 3.47Å; E330-A333 PolarHBondContact O-N 2.96Å; E330-Y334 PolarHBondContact O-N 3.25Å
331	Y	97.1	Very high	94.2	Very high	9 Å²	9	71.1 Å²	71.1	4%	0.035	38%	0.378	C	S	.	.	H	α-helix	trans	-60.8	-42.6	170.3	-82.8	-62.7	0	0	0	112.6	L320 R327 A333 Y334 I335 I350 R353 A354 E357	L320-Y331 HydrophobicContact CD1-CD1 4.28Å; L320-Y331 HydrophobicContact CD1-CE1 3.8Å; L320-Y331 HydrophobicContact CD2-CD1 3.94Å; L320-Y331 HydrophobicContact CD2-CD2 3.74Å; L320-Y331 HydrophobicContact CD2-CE1 3.86Å; L320-Y331 HydrophobicContact CD2-CE2 3.64Å; L320-Y331 HydrophobicContact CD2-CG 3.88Å; R327-Y331 HydrophobicContact CB-CD2 4.1Å; R327-Y331 HydrophobicContact CB-CE2 4.14Å; R327-Y331 VanDerWaalsContact O-CD2 3.29Å; R327-Y331 WeakPolarHBondContact O-CD2 3.46Å; R327-Y331 PolarHBondContact O-N 3.48Å; R327-Y331 VanDerWaalsContact O-N 3.16Å; Y331-A333 PolarHBondContact O-N 3.3Å; Y331-Y334 PolarHBondContact O-N 3.35Å; Y331-I335 WeakPolarHBondContact O-CB 3.1Å; Y331-I335 WeakPolarHBondContact O-CD1 3.39Å; Y331-I335 WeakPolarHBondContact O-CG1 3.27Å; Y331-I335 PolarHBondContact O-N 2.98Å; Y331-I350 HydrophobicContact CD1-CD1 3.96Å; Y331-I350 HydrophobicContact CE1-CD1 4.1Å; Y331-R353 HydrophobicContact CE1-CB 4.02Å; Y331-A354 HydrophobicContact CD1-CB 3.56Å; Y331-A354 HydrophobicContact CD2-CB 4.26Å; Y331-A354 HydrophobicContact CE1-CB 4.25Å; Y331-A354 HydrophobicContact CG-CB 3.58Å; Y331-E357 HydrophobicContact CE2-CB 4.48Å; Y331-E357 PolarHBondContact OH-OE1 3.25Å
332	Q	96.8	Very high	94.4	Very high	84 Å²	84	66.8 Å²	66.8	39%	0.393	37%	0.366	S	S	.	.	H	α-helix	trans	-60.7	-43.6	176.5	-76.6	175	4.1	0	0	112	L328 S329 Y334 I335 D336	L328-Q332 HydrophobicContact CD1-CG 4.31Å; L328-Q332 HydrophobicContact CG-CG 4.49Å; L328-Q332 WeakPolarHBondContact O-CB 3.43Å; L328-Q332 VanDerWaalsContact O-CG 3.26Å; L328-Q332 WeakPolarHBondContact O-CG 3.35Å; L328-Q332 PolarHBondContact O-N 2.99Å; S329-Q332 PolarHBondContact O-N 3.36Å; Q332-Y334 VanDerWaalsContact C-N 3.34Å; Q332-Y334 PolarHBondContact O-N 2.89Å; Q332-I335 PolarHBondContact O-N 2.83Å; Q332-D336 PolarHBondContact O-N 2.92Å
333	A	97	Very high	94.5	Very high	48 Å²	48	61.9 Å²	61.9	40%	0.397	35%	0.345	S	S	.	.	H	α-helix	trans	-65.4	-34.2	176.6	0	0	0	0	0	113.1	S329 E330 Y331 F337	S329-A333 PolarHBondContact O-N 3.41Å; E330-A333 PolarHBondContact O-N 2.96Å; Y331-A333 PolarHBondContact O-N 3.3Å; A333-F337 WeakPolarHBondContact O-CB 3.35Å; A333-F337 PolarHBondContact O-N 2.69Å
334	Y	97.8	Very high	94.7	Very high	1 Å²	1	63.6 Å²	63.6	0%	0.004	35%	0.354	C	S	.	.	H	α-helix	trans	-72	-43.8	174.5	-154.2	152.8	0	0	0	111.1	Y313 Y316 E317 L320 E330 Y331 Q332 D336 F337 E338 I350	Y313-Y334 AromaticContact CD1-CE2 3.89Å; Y313-Y334 HydrophobicContact CD1-CE2 3.89Å; Y313-Y334 HydrophobicContact CE1-CE2 4.43Å; Y316-Y334 HydrophobicContact CD1-CG 4.25Å; Y316-Y334 HydrophobicContact CG-CD1 4.42Å; Y316-Y334 HydrophobicContact CG-CD2 4.48Å; Y316-Y334 HydrophobicContact CG-CG 4.3Å; E317-Y334 HydrophobicContact CG-CE1 4.14Å; E317-Y334 WeakPolarHBondContact OE1-CE1 3.1Å; E317-Y334 VanDerWaalsContact OE1-CZ 3.31Å; E317-Y334 PolarHBondContact OE1-OH 3.31Å; L320-Y334 HydrophobicContact CD1-CD1 3.85Å; L320-Y334 HydrophobicContact CD1-CE1 4.11Å; E330-Y334 PolarHBondContact O-N 3.25Å; Y331-Y334 PolarHBondContact O-N 3.35Å; Q332-Y334 VanDerWaalsContact C-N 3.34Å; Q332-Y334 PolarHBondContact O-N 2.89Å; Y334-D336 VanDerWaalsContact C-N 3.32Å; Y334-D336 PolarHBondContact O-N 3.2Å; Y334-F337 HydrophobicContact CD2-CD1 4.37Å; Y334-F337 WeakPolarHBondContact O-CA 3.24Å; Y334-F337 WeakPolarHBondContact O-CB 3.42Å; Y334-F337 PolarHBondContact O-N 3.47Å; Y334-E338 HydrophobicContact CD2-CG 3.77Å; Y334-E338 HydrophobicContact CE2-CG 3.74Å; Y334-E338 PolarHBondContact O-N 3.16Å; Y334-I350 HydrophobicContact CD1-CD1 3.59Å; Y334-I350 HydrophobicContact CD1-CG1 4.34Å; Y334-I350 HydrophobicContact CD2-CD1 3.97Å; Y334-I350 HydrophobicContact CD2-CG1 3.91Å; Y334-I350 HydrophobicContact CE1-CD1 3.94Å; Y334-I350 HydrophobicContact CE2-CD1 4.28Å; Y334-I350 HydrophobicContact CE2-CG1 4.47Å; Y334-I350 HydrophobicContact CG-CD1 3.6Å; Y334-I350 HydrophobicContact CG-CG1 3.82Å
335	I	97.8	Very high	94.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-58.4	-44.6	174.3	-68.7	161.5	0	0	0	110.4	Y331 Q332 F337 M339 I350 F351 A354 L364	Y331-I335 WeakPolarHBondContact O-CB 3.1Å; Y331-I335 WeakPolarHBondContact O-CD1 3.39Å; Y331-I335 WeakPolarHBondContact O-CG1 3.27Å; Y331-I335 PolarHBondContact O-N 2.98Å; Q332-I335 PolarHBondContact O-N 2.83Å; I335-F337 VanDerWaalsContact C-N 3.26Å; I335-F337 PolarHBondContact O-N 2.85Å; I335-M339 HydrophobicContact CG2-CG 4.19Å; I335-M339 HydrophobicContact CG2-SD 3.85Å; I335-M339 WeakPolarHBondContact O-CB 3.36Å; I335-M339 WeakPolarHBondContact O-CG 3.43Å; I335-M339 PolarHBondContact O-N 3.37Å; I335-I350 HydrophobicContact CG1-CG1 4.05Å; I335-I350 HydrophobicContact CG1-CG2 3.98Å; I335-F351 HydrophobicContact CD1-CD1 3.83Å; I335-F351 HydrophobicContact CD1-CE1 3.98Å; I335-F351 HydrophobicContact CG1-CD1 4.25Å; I335-F351 HydrophobicContact CG1-CE1 4.36Å; I335-F351 HydrophobicContact CG2-CD1 4.21Å; I335-F351 HydrophobicContact CG2-CE1 3.55Å; I335-F351 HydrophobicContact CG2-CE2 4.01Å; I335-F351 HydrophobicContact CG2-CZ 3.43Å; I335-F351 VanDerWaalsContact CG2-CZ 3.43Å; I335-A354 HydrophobicContact CD1-CB 3.92Å; I335-L364 HydrophobicContact CD1-CD1 3.74Å
336	D	97.7	Very high	95.4	Very high	88 Å²	88	53.8 Å²	53.8	47%	0.471	30%	0.301	S	S	.	.	H	α-helix	trans	-58.3	-38	174.5	-75.3	-7.5	0	0	0	112.4	Q332 Y334 K340 R367	Q332-D336 PolarHBondContact O-N 2.92Å; Y334-D336 VanDerWaalsContact C-N 3.32Å; Y334-D336 PolarHBondContact O-N 3.2Å; D336-K340 WeakPolarHBondContact O-CB 3.41Å; D336-K340 PolarHBondContact O-N 2.89Å; D336-K340 VanDerWaalsContact O-N 3.15Å; D336-R367 IonicContact OD1-CZ 3.99Å; D336-R367 IonicContact OD1-NH1 3.5Å; D336-R367 PolarHBondContact OD1-NH1 2.83Å; D336-R367 IonicContact OD1-NH2 2.75Å; D336-R367 PolarHBondContact OD1-NH2 3.36Å
337	F	97.6	Very high	96	Very high	34 Å²	34	49.2 Å²	49.2	15%	0.149	27%	0.272	C	S	.	.	H	α-helix	trans	-72.2	-49.2	179.6	176.4	-118.8	0	0	0	112.9	K312 Y313 Y316 A333 Y334 I335 K340 I341	K312-F337 HydrophobicContact CD-CZ 3.96Å; K312-F337 HydrophobicContact CG-CZ 4.1Å; Y313-F337 HydrophobicContact CD1-CD1 4.25Å; Y313-F337 AromaticContact CD1-CE1 3.6Å; Y313-F337 HydrophobicContact CD1-CE1 3.6Å; Y313-F337 HydrophobicContact CE1-CD1 4.17Å; Y313-F337 AromaticContact CE1-CE1 3.6Å; Y313-F337 HydrophobicContact CE1-CE1 3.6Å; Y316-F337 AromaticContact CD2-CD1 3.89Å; Y316-F337 HydrophobicContact CD2-CD1 3.89Å; Y316-F337 AromaticContact CD2-CE1 3.79Å; Y316-F337 HydrophobicContact CD2-CE1 3.79Å; Y316-F337 HydrophobicContact CD2-CZ 4.37Å; Y316-F337 HydrophobicContact CE1-CB 3.83Å; Y316-F337 HydrophobicContact CE1-CD1 4.18Å; Y316-F337 HydrophobicContact CE1-CG 4.01Å; Y316-F337 AromaticContact CE2-CD1 3.52Å; Y316-F337 HydrophobicContact CE2-CD1 3.52Å; Y316-F337 HydrophobicContact CE2-CD2 4.04Å; Y316-F337 AromaticContact CE2-CE1 3.42Å; Y316-F337 HydrophobicContact CE2-CE1 3.42Å; Y316-F337 VanDerWaalsContact CE2-CE1 3.42Å; Y316-F337 AromaticContact CE2-CE2 3.96Å; Y316-F337 HydrophobicContact CE2-CE2 3.96Å; Y316-F337 AromaticContact CE2-CG 3.81Å; Y316-F337 HydrophobicContact CE2-CG 3.81Å; Y316-F337 AromaticContact CE2-CZ 3.62Å; Y316-F337 HydrophobicContact CE2-CZ 3.62Å; Y316-F337 HydrophobicContact CG-CD1 4.38Å; Y316-F337 AromaticContact CZ-CD1 3.68Å; Y316-F337 AromaticContact CZ-CD2 3.74Å; Y316-F337 AromaticContact CZ-CG 3.5Å; Y316-F337 VanDerWaalsContact CZ-CG 3.5Å; Y316-F337 VanDerWaalsContact OH-CD2 3.25Å; Y316-F337 WeakPolarHBondContact OH-CD2 3.37Å; Y316-F337 WeakPolarHBondContact OH-CG 3.34Å; A333-F337 WeakPolarHBondContact O-CB 3.35Å; A333-F337 PolarHBondContact O-N 2.69Å; Y334-F337 HydrophobicContact CD2-CD1 4.37Å; Y334-F337 WeakPolarHBondContact O-CA 3.24Å; Y334-F337 WeakPolarHBondContact O-CB 3.42Å; Y334-F337 PolarHBondContact O-N 3.47Å; I335-F337 VanDerWaalsContact C-N 3.26Å; I335-F337 PolarHBondContact O-N 2.85Å; F337-K340 WeakPolarHBondContact O-CB 3.48Å; F337-K340 PolarHBondContact O-N 3.3Å; F337-K340 VanDerWaalsContact O-N 3.14Å; F337-I341 HydrophobicContact CD1-CD1 3.96Å; F337-I341 HydrophobicContact CD2-CD1 4.32Å; F337-I341 HydrophobicContact CE1-CD1 3.78Å; F337-I341 HydrophobicContact CE2-CD1 4.16Å; F337-I341 HydrophobicContact CG-CD1 4.26Å; F337-I341 HydrophobicContact CZ-CD1 3.91Å; F337-I341 WeakPolarHBondContact O-CG1 3.43Å; F337-I341 PolarHBondContact O-N 3.47Å
338	E	96.6	Very high	96.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-38.2	176.6	-69.9	-78.5	-153.4	0	0	111.3	Y313 Y334 K340 I341 G342 R346 I347 I350	Y313-E338 VanDerWaalsContact CE1-CD 3.47Å; Y313-E338 HydrophobicContact CE1-CG 4.48Å; Y313-E338 WeakPolarHBondContact CE1-OE1 3.38Å; Y313-E338 PolarHBondContact OH-OE2 3.27Å; Y334-E338 HydrophobicContact CD2-CG 3.77Å; Y334-E338 HydrophobicContact CE2-CG 3.74Å; Y334-E338 PolarHBondContact O-N 3.16Å; E338-K340 PolarHBondContact O-N 3.35Å; E338-I341 WeakPolarHBondContact O-CB 3.46Å; E338-I341 PolarHBondContact O-N 3.13Å; E338-G342 PolarHBondContact O-N 2.76Å; E338-R346 IonicContact OE1-CZ 3.35Å; E338-R346 IonicContact OE1-NE 3.47Å; E338-R346 PolarHBondContact OE1-NE 2.88Å; E338-R346 IonicContact OE1-NH2 3.2Å; E338-R346 PolarHBondContact OE1-NH2 3.12Å; E338-R346 IonicContact OE2-NE 3.96Å; E338-I347 HydrophobicContact CB-CG1 4.12Å; E338-I347 WeakPolarHBondContact O-CG1 3.45Å; E338-I350 HydrophobicContact CB-CG2 3.97Å; E338-I350 HydrophobicContact CG-CG2 4.06Å
339	M	96.4	Very high	96.3	Very high	69 Å²	69	47 Å²	47	34%	0.34	26%	0.263	S	S	.	.	H	α-helix	trans	-63.4	-27.1	172.7	-73.6	-171.4	74.2	0	0	113.1	I335 I347 F351 R367 Y371	I335-M339 HydrophobicContact CG2-CG 4.19Å; I335-M339 HydrophobicContact CG2-SD 3.85Å; I335-M339 WeakPolarHBondContact O-CB 3.36Å; I335-M339 WeakPolarHBondContact O-CG 3.43Å; I335-M339 PolarHBondContact O-N 3.37Å; M339-I347 HydrophobicContact CG-CD1 4.39Å; M339-I347 HydrophobicContact CG-CG1 4.28Å; M339-I347 HydrophobicContact CG-CG2 4Å; M339-F351 HydrophobicContact CG-CE2 4.45Å; M339-F351 HydrophobicContact SD-CE2 4.01Å; M339-F351 HydrophobicContact SD-CZ 3.81Å; M339-R367 PolarHBondContact SD-NH2 3.39Å; M339-Y371 HydrophobicContact CE-CD2 3.95Å
340	K	96.8	Very high	96.4	Very high	187 Å²	187	43.8 Å²	43.8	81%	0.813	24%	0.24	S	C	*	.	H	α-helix	trans	-78.7	-25.6	172.2	-177.4	179.6	176.5	-176.1	0	112.8	D336 F337 E338	D336-K340 WeakPolarHBondContact O-CB 3.41Å; D336-K340 PolarHBondContact O-N 2.89Å; D336-K340 VanDerWaalsContact O-N 3.15Å; F337-K340 WeakPolarHBondContact O-CB 3.48Å; F337-K340 PolarHBondContact O-N 3.3Å; F337-K340 VanDerWaalsContact O-N 3.14Å; E338-K340 PolarHBondContact O-N 3.35Å
341	I	95.9	Very high	96.5	Very high	64 Å²	64	41 Å²	41	33%	0.328	23%	0.227	S	C	.	.	H	α-helix	trans	-76.8	-38.6	173.8	-66.3	161.5	0	0	0	110.3	Y313 F337 E338	Y313-I341 HydrophobicContact CE1-CD1 3.85Å; F337-I341 HydrophobicContact CD1-CD1 3.96Å; F337-I341 HydrophobicContact CD2-CD1 4.32Å; F337-I341 HydrophobicContact CE1-CD1 3.78Å; F337-I341 HydrophobicContact CE2-CD1 4.16Å; F337-I341 HydrophobicContact CG-CD1 4.26Å; F337-I341 HydrophobicContact CZ-CD1 3.91Å; F337-I341 WeakPolarHBondContact O-CG1 3.43Å; F337-I341 PolarHBondContact O-N 3.47Å; E338-I341 WeakPolarHBondContact O-CB 3.46Å; E338-I341 PolarHBondContact O-N 3.13Å
342	G	95	Very high	96.4	Very high	42 Å²	42	41.6 Å²	41.6	43%	0.433	23%	0.231	S	C	.	.			trans	90.9	5.2	169.5	0	0	0	0	0	115.9	E338 P344	E338-G342 PolarHBondContact O-N 2.76Å; G342-P344 VanDerWaalsContact O-CD 3.28Å; G342-P344 WeakPolarHBondContact O-CD 3.41Å
343	D	95.3	Very high	96.3	Very high	61 Å²	61	38.3 Å²	38.3	33%	0.326	21%	0.214	S	C	.	.			trans	-72.9	114	177.4	179.3	-15.7	0	0	0	111.1	A345 R346 I347	D343-A345 VanDerWaalsContact C-N 3.3Å; D343-A345 PolarHBondContact O-N 3.16Å; D343-A345 PolarHBondContact OD1-N 3.34Å; D343-R346 HydrophobicContact CB-CB 4.16Å; D343-R346 HydrophobicContact CB-CG 4.36Å; D343-R346 PolarHBondContact O-N 3.03Å; D343-R346 PolarHBondContact OD1-N 3.26Å; D343-R346 WeakPolarHBondContact OD2-CD 3.18Å; D343-R346 VanDerWaalsContact OD2-CG 3.29Å; D343-R346 WeakPolarHBondContact OD2-CG 3.22Å; D343-I347 WeakPolarHBondContact O-CB 3.41Å; D343-I347 WeakPolarHBondContact O-CD1 3.44Å; D343-I347 WeakPolarHBondContact O-CG1 3.33Å; D343-I347 PolarHBondContact O-N 2.64Å
344	P	95.5	Very high	96.3	Very high	60 Å²	60	36 Å²	36	39%	0.39	20%	0.195	S	C	.	.	H	α-helix	trans	-62.1	-32.2	-177.2	-23.6	35.7	0	0	0	114.6	G342 Q348 Y371 L376	G342-P344 VanDerWaalsContact O-CD 3.28Å; G342-P344 WeakPolarHBondContact O-CD 3.41Å; P344-Q348 WeakPolarHBondContact O-CG 3.36Å; P344-Q348 PolarHBondContact O-N 3.42Å; P344-Q348 VanDerWaalsContact O-N 3.16Å; P344-Q348 PolarHBondContact O-NE2 2.93Å; P344-Y371 WeakPolarHBondContact CA-OH 3.49Å; P344-L376 HydrophobicContact CB-CD1 4.29Å; P344-L376 HydrophobicContact CB-CD2 4.33Å
345	A	93.8	Very high	96.1	Very high	45 Å²	45	36 Å²	36	37%	0.372	20%	0.195	S	C	.	.	H	α-helix	trans	-72.6	-43.8	-178.4	0	0	0	0	0	110.6	L219 D343 Q348 L349	L219-A345 HydrophobicContact CD1-CB 3.78Å; D343-A345 VanDerWaalsContact C-N 3.3Å; D343-A345 PolarHBondContact O-N 3.16Å; D343-A345 PolarHBondContact OD1-N 3.34Å; A345-Q348 PolarHBondContact O-N 3.31Å; A345-L349 WeakPolarHBondContact O-CB 3.08Å; A345-L349 PolarHBondContact O-N 3.12Å
346	R	95.1	Very high	95.9	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-72.4	-34.6	178.2	-63.8	-173	64.5	73.6	17.3	113.1	L219 Y313 E338 D343 L349 I350	L219-R346 HydrophobicContact CD1-CG 4.32Å; Y313-R346 PolarHBondContact OH-NE 2.83Å; E338-R346 IonicContact OE1-CZ 3.35Å; E338-R346 IonicContact OE1-NE 3.47Å; E338-R346 PolarHBondContact OE1-NE 2.88Å; E338-R346 IonicContact OE1-NH2 3.2Å; E338-R346 PolarHBondContact OE1-NH2 3.12Å; E338-R346 IonicContact OE2-NE 3.96Å; D343-R346 HydrophobicContact CB-CB 4.16Å; D343-R346 HydrophobicContact CB-CG 4.36Å; D343-R346 PolarHBondContact O-N 3.03Å; D343-R346 PolarHBondContact OD1-N 3.26Å; D343-R346 WeakPolarHBondContact OD2-CD 3.18Å; D343-R346 VanDerWaalsContact OD2-CG 3.29Å; D343-R346 WeakPolarHBondContact OD2-CG 3.22Å; R346-L349 PolarHBondContact O-N 2.86Å; R346-I350 WeakPolarHBondContact O-CG2 3.37Å; R346-I350 PolarHBondContact O-N 3.16Å
347	I	96.7	Very high	95.4	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-45.4	173	-68.4	162.8	0	0	0	110.7	E338 M339 D343 I350 F351 Y371	E338-I347 HydrophobicContact CB-CG1 4.12Å; E338-I347 WeakPolarHBondContact O-CG1 3.45Å; M339-I347 HydrophobicContact CG-CD1 4.39Å; M339-I347 HydrophobicContact CG-CG1 4.28Å; M339-I347 HydrophobicContact CG-CG2 4Å; D343-I347 WeakPolarHBondContact O-CB 3.41Å; D343-I347 WeakPolarHBondContact O-CD1 3.44Å; D343-I347 WeakPolarHBondContact O-CG1 3.33Å; D343-I347 PolarHBondContact O-N 2.64Å; I347-I350 WeakPolarHBondContact O-CG2 3.17Å; I347-F351 HydrophobicContact CG2-CD2 3.72Å; I347-F351 HydrophobicContact CG2-CE2 3.63Å; I347-F351 WeakPolarHBondContact O-CD2 3.3Å; I347-F351 PolarHBondContact O-N 3.4Å; I347-F351 VanDerWaalsContact O-N 3.15Å; I347-Y371 HydrophobicContact CB-CE1 4.19Å; I347-Y371 HydrophobicContact CD1-CE2 4.11Å; I347-Y371 WeakPolarHBondContact CD1-OH 3.4Å; I347-Y371 HydrophobicContact CG2-CD1 3.89Å; I347-Y371 HydrophobicContact CG2-CD2 4.41Å; I347-Y371 HydrophobicContact CG2-CE1 3.48Å; I347-Y371 VanDerWaalsContact CG2-CE1 3.48Å; I347-Y371 HydrophobicContact CG2-CE2 4.05Å; I347-Y371 HydrophobicContact CG2-CG 4.34Å
348	Q	96.3	Very high	95.2	Very high	47 Å²	47	36.9 Å²	36.9	22%	0.22	20%	0.202	C	C	.	.	H	α-helix	trans	-58.7	-51.4	172.9	-76.6	167.7	95.5	0	0	111.2	P344 A345 I350 F351 E352 Y368 L372	P344-Q348 WeakPolarHBondContact O-CG 3.36Å; P344-Q348 PolarHBondContact O-N 3.42Å; P344-Q348 VanDerWaalsContact O-N 3.16Å; P344-Q348 PolarHBondContact O-NE2 2.93Å; A345-Q348 PolarHBondContact O-N 3.31Å; Q348-I350 PolarHBondContact O-N 3.4Å; Q348-F351 PolarHBondContact O-N 3.36Å; Q348-E352 WeakPolarHBondContact O-CG 3.37Å; Q348-E352 PolarHBondContact O-N 3.3Å; Q348-Y368 HydrophobicContact CG-CE2 4.28Å; Q348-L372 HydrophobicContact CG-CD2 4.26Å
349	L	96.5	Very high	94.9	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-52.2	-48.5	179.1	177	76	0	0	0	112.8	I181 L219 H220 A345 R346 E352 R353	I181-L349 HydrophobicContact CD1-CD1 3.75Å; L219-L349 HydrophobicContact CB-CD2 3.85Å; L219-L349 VanDerWaalsContact O-CD2 3.25Å; L219-L349 WeakPolarHBondContact O-CD2 3.47Å; H220-L349 HydrophobicContact CB-CD1 4.08Å; A345-L349 WeakPolarHBondContact O-CB 3.08Å; A345-L349 PolarHBondContact O-N 3.12Å; R346-L349 PolarHBondContact O-N 2.86Å; L349-E352 PolarHBondContact O-N 2.86Å; L349-R353 HydrophobicContact CD1-CG 4.44Å; L349-R353 WeakPolarHBondContact O-CB 3.28Å; L349-R353 VanDerWaalsContact O-CG 3.25Å; L349-R353 WeakPolarHBondContact O-CG 3.42Å; L349-R353 PolarHBondContact O-N 2.97Å
350	I	97.2	Very high	94.6	Very high	2 Å²	2	40 Å²	40	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-72.9	-31.5	-176.9	-166.5	61.7	0	0	0	112.5	Y331 Y334 I335 E338 R346 I347 Q348 A354	Y331-I350 HydrophobicContact CD1-CD1 3.96Å; Y331-I350 HydrophobicContact CE1-CD1 4.1Å; Y334-I350 HydrophobicContact CD1-CD1 3.59Å; Y334-I350 HydrophobicContact CD1-CG1 4.34Å; Y334-I350 HydrophobicContact CD2-CD1 3.97Å; Y334-I350 HydrophobicContact CD2-CG1 3.91Å; Y334-I350 HydrophobicContact CE1-CD1 3.94Å; Y334-I350 HydrophobicContact CE2-CD1 4.28Å; Y334-I350 HydrophobicContact CE2-CG1 4.47Å; Y334-I350 HydrophobicContact CG-CD1 3.6Å; Y334-I350 HydrophobicContact CG-CG1 3.82Å; I335-I350 HydrophobicContact CG1-CG1 4.05Å; I335-I350 HydrophobicContact CG1-CG2 3.98Å; E338-I350 HydrophobicContact CB-CG2 3.97Å; E338-I350 HydrophobicContact CG-CG2 4.06Å; R346-I350 WeakPolarHBondContact O-CG2 3.37Å; R346-I350 PolarHBondContact O-N 3.16Å; I347-I350 WeakPolarHBondContact O-CG2 3.17Å; Q348-I350 PolarHBondContact O-N 3.4Å; I350-A354 VanDerWaalsContact O-CB 3.3Å; I350-A354 WeakPolarHBondContact O-CB 3.24Å; I350-A354 PolarHBondContact O-N 3.36Å
351	F	97.4	Very high	94.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-48.7	169.7	-85.8	-62.5	0	0	0	111.6	I335 M339 I347 Q348 R353 A354 L355 L364 R367 Y368 Y371	I335-F351 HydrophobicContact CD1-CD1 3.83Å; I335-F351 HydrophobicContact CD1-CE1 3.98Å; I335-F351 HydrophobicContact CG1-CD1 4.25Å; I335-F351 HydrophobicContact CG1-CE1 4.36Å; I335-F351 HydrophobicContact CG2-CD1 4.21Å; I335-F351 HydrophobicContact CG2-CE1 3.55Å; I335-F351 HydrophobicContact CG2-CE2 4.01Å; I335-F351 HydrophobicContact CG2-CZ 3.43Å; I335-F351 VanDerWaalsContact CG2-CZ 3.43Å; M339-F351 HydrophobicContact CG-CE2 4.45Å; M339-F351 HydrophobicContact SD-CE2 4.01Å; M339-F351 HydrophobicContact SD-CZ 3.81Å; I347-F351 HydrophobicContact CG2-CD2 3.72Å; I347-F351 HydrophobicContact CG2-CE2 3.63Å; I347-F351 WeakPolarHBondContact O-CD2 3.3Å; I347-F351 PolarHBondContact O-N 3.4Å; I347-F351 VanDerWaalsContact O-N 3.15Å; Q348-F351 PolarHBondContact O-N 3.36Å; F351-R353 PolarHBondContact O-N 3.27Å; F351-A354 PolarHBondContact O-N 3.09Å; F351-L355 WeakPolarHBondContact O-CB 3.46Å; F351-L355 VanDerWaalsContact O-CG 3.23Å; F351-L355 WeakPolarHBondContact O-CG 3.4Å; F351-L355 PolarHBondContact O-N 2.85Å; F351-L364 HydrophobicContact CD1-CD1 4Å; F351-L364 HydrophobicContact CE1-CD1 4.11Å; F351-R367 HydrophobicContact CE1-CB 4.31Å; F351-R367 HydrophobicContact CE1-CG 3.99Å; F351-R367 HydrophobicContact CZ-CG 3.91Å; F351-Y368 HydrophobicContact CB-CD1 4.16Å; F351-Y368 HydrophobicContact CB-CD2 3.51Å; F351-Y368 HydrophobicContact CB-CE1 4.33Å; F351-Y368 HydrophobicContact CB-CE2 3.74Å; F351-Y368 HydrophobicContact CB-CG 3.73Å; F351-Y368 HydrophobicContact CD1-CD2 4.16Å; F351-Y368 HydrophobicContact CD1-CG 4.05Å; F351-Y368 AromaticContact CD2-CD2 3.38Å; F351-Y368 HydrophobicContact CD2-CD2 3.38Å; F351-Y368 AromaticContact CD2-CE2 3.98Å; F351-Y368 HydrophobicContact CD2-CE2 3.98Å; F351-Y368 HydrophobicContact CD2-CG 4.11Å; F351-Y368 HydrophobicContact CE2-CD2 4.07Å; F351-Y368 AromaticContact CG-CD2 3.44Å; F351-Y368 HydrophobicContact CG-CD2 3.44Å; F351-Y368 VanDerWaalsContact CG-CD2 3.44Å; F351-Y368 HydrophobicContact CG-CE2 4.1Å; F351-Y368 AromaticContact CG-CG 3.73Å; F351-Y368 HydrophobicContact CG-CG 3.73Å; F351-Y371 HydrophobicContact CE2-CD1 4.5Å; F351-Y371 HydrophobicContact CE2-CG 4.49Å
352	E	96.1	Very high	94.4	Very high	23 Å²	23	31.2 Å²	31.2	11%	0.107	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-43	179	-65.9	-67	170.4	0	0	111.6	I181 Q348 L349 A354 L355 V356 Y368 R388	I181-E352 HydrophobicContact CB-CB 3.95Å; I181-E352 HydrophobicContact CD1-CB 4.3Å; I181-E352 HydrophobicContact CG2-CB 3.75Å; I181-E352 WeakPolarHBondContact CG2-O 3.28Å; Q348-E352 WeakPolarHBondContact O-CG 3.37Å; Q348-E352 PolarHBondContact O-N 3.3Å; L349-E352 PolarHBondContact O-N 2.86Å; E352-A354 PolarHBondContact O-N 3.41Å; E352-L355 PolarHBondContact O-N 2.85Å; E352-V356 PolarHBondContact O-N 2.85Å; E352-Y368 HydrophobicContact CG-CE1 4.44Å; E352-Y368 WeakPolarHBondContact OE1-CE1 3.49Å; E352-Y368 VanDerWaalsContact OE1-CZ 3.31Å; E352-Y368 PolarHBondContact OE1-OH 3.3Å; E352-R388 VanDerWaalsContact CD-NH1 3.29Å; E352-R388 IonicContact OE1-CZ 3.72Å; E352-R388 IonicContact OE1-NH1 3.13Å; E352-R388 PolarHBondContact OE1-NH1 2.91Å; E352-R388 IonicContact OE1-NH2 2.73Å; E352-R388 IonicContact OE2-CZ 2.7Å; E352-R388 VanDerWaalsContact OE2-CZ 3.3Å; E352-R388 IonicContact OE2-NH1 3.62Å; E352-R388 PolarHBondContact OE2-NH1 3.13Å; E352-R388 IonicContact OE2-NH2 2.69Å; E352-R388 PolarHBondContact OE2-NH2 3.37Å
353	R	95.2	Very high	94.5	Very high	14 Å²	14	35 Å²	35	5%	0.053	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-45.3	173.9	-74.5	173.5	69.6	-161.6	1.5	112	I181 H220 E317 Y331 L349 F351 L355 V356	I181-R353 HydrophobicContact CD1-CG 4.45Å; H220-R353 PolarHBondContact NE2-NE 3.35Å; E317-R353 IonicContact OE1-CZ 3.65Å; E317-R353 IonicContact OE1-NH1 2.7Å; E317-R353 PolarHBondContact OE1-NH1 3.47Å; E317-R353 IonicContact OE1-NH2 2.47Å; E317-R353 PolarHBondContact OE1-NH2 2.86Å; E317-R353 IonicContact OE2-CZ 2.71Å; E317-R353 IonicContact OE2-NH1 2.63Å; E317-R353 IonicContact OE2-NH2 2.71Å; E317-R353 PolarHBondContact OE2-NH2 3.38Å; Y331-R353 HydrophobicContact CE1-CB 4.02Å; L349-R353 HydrophobicContact CD1-CG 4.44Å; L349-R353 WeakPolarHBondContact O-CB 3.28Å; L349-R353 VanDerWaalsContact O-CG 3.25Å; L349-R353 WeakPolarHBondContact O-CG 3.42Å; L349-R353 PolarHBondContact O-N 2.97Å; F351-R353 PolarHBondContact O-N 3.27Å; R353-L355 VanDerWaalsContact C-N 3.29Å; R353-L355 PolarHBondContact O-N 2.69Å; R353-V356 PolarHBondContact O-N 2.9Å
354	A	95.8	Very high	94.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.8	-36.9	177.1	0	0	0	0	0	112	Y331 I335 I350 F351 E352 V356 E357 N358 L364	Y331-A354 HydrophobicContact CD1-CB 3.56Å; Y331-A354 HydrophobicContact CD2-CB 4.26Å; Y331-A354 HydrophobicContact CE1-CB 4.25Å; Y331-A354 HydrophobicContact CG-CB 3.58Å; I335-A354 HydrophobicContact CD1-CB 3.92Å; I350-A354 VanDerWaalsContact O-CB 3.3Å; I350-A354 WeakPolarHBondContact O-CB 3.24Å; I350-A354 PolarHBondContact O-N 3.36Å; F351-A354 PolarHBondContact O-N 3.09Å; E352-A354 PolarHBondContact O-N 3.41Å; A354-V356 PolarHBondContact O-N 3.11Å; A354-E357 PolarHBondContact O-N 2.96Å; A354-N358 VanDerWaalsContact O-CB 3.28Å; A354-N358 WeakPolarHBondContact O-CB 3.38Å; A354-N358 PolarHBondContact O-N 3.03Å; A354-N358 PolarHBondContact O-ND2 3.41Å; A354-L364 HydrophobicContact CB-CD2 4.04Å
355	L	94.5	Very high	94.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-72.6	-21.6	-177.6	-76.8	167.6	0	0	0	114.1	F351 E352 R353 C359 L364 W365 Y368	F351-L355 WeakPolarHBondContact O-CB 3.46Å; F351-L355 VanDerWaalsContact O-CG 3.23Å; F351-L355 WeakPolarHBondContact O-CG 3.4Å; F351-L355 PolarHBondContact O-N 2.85Å; E352-L355 PolarHBondContact O-N 2.85Å; R353-L355 VanDerWaalsContact C-N 3.29Å; R353-L355 PolarHBondContact O-N 2.69Å; L355-C359 VanDerWaalsContact O-CA 3.22Å; L355-C359 WeakPolarHBondContact O-CA 3.44Å; L355-C359 WeakPolarHBondContact O-CB 3.25Å; L355-C359 PolarHBondContact O-N 3.2Å; L355-L364 HydrophobicContact CD2-CB 4.29Å; L355-L364 HydrophobicContact CD2-CD2 3.74Å; L355-L364 HydrophobicContact CD2-CG 3.7Å; L355-L364 HydrophobicContact CG-CD2 4.09Å; L355-L364 HydrophobicContact CG-CG 4.16Å; L355-W365 HydrophobicContact CD1-CD2 4.33Å; L355-W365 HydrophobicContact CD1-CE3 3.96Å; L355-W365 HydrophobicContact CD1-CH2 4.07Å; L355-W365 HydrophobicContact CD1-CZ2 4.42Å; L355-W365 HydrophobicContact CD1-CZ3 3.84Å; L355-W365 HydrophobicContact CD2-CD2 3.71Å; L355-W365 HydrophobicContact CD2-CE3 4.2Å; L355-W365 HydrophobicContact CD2-CG 4.05Å; L355-W365 HydrophobicContact CD2-CH2 4.35Å; L355-W365 HydrophobicContact CD2-CZ2 3.87Å; L355-Y368 HydrophobicContact CD1-CD1 3.45Å; L355-Y368 VanDerWaalsContact CD1-CD1 3.45Å; L355-Y368 HydrophobicContact CD1-CE1 3.94Å; L355-Y368 HydrophobicContact CD1-CG 4.31Å
356	V	91.9	Very high	94.9	Very high	70 Å²	70	28.7 Å²	28.7	42%	0.424	15%	0.153	S	C	.	.	H	α-helix	trans	-62.3	-47.3	170.7	170.4	0	0	0	0	111.1	I181 E352 R353 A354	I181-V356 HydrophobicContact CG2-CG2 3.51Å; E352-V356 PolarHBondContact O-N 2.85Å; R353-V356 PolarHBondContact O-N 2.9Å; A354-V356 PolarHBondContact O-N 3.11Å
357	E	89.1	Confident	95	Very high	64 Å²	64	32.2 Å²	32.2	30%	0.299	17%	0.166	S	C	.	.	H	α-helix	trans	-85.1	-18	-178.3	-76.7	171.8	-132.7	0	0	113.8	R327 Y331 A354	R327-E357 IonicContact CZ-OE1 2.83Å; R327-E357 IonicContact CZ-OE2 3.59Å; R327-E357 IonicContact NE-OE1 2.73Å; R327-E357 IonicContact NE-OE2 3.2Å; R327-E357 PolarHBondContact NE-OE2 2.84Å; R327-E357 IonicContact NH2-OE1 2.69Å; R327-E357 PolarHBondContact NH2-OE1 2.88Å; R327-E357 IonicContact NH2-OE2 3.51Å; R327-E357 PolarHBondContact NH2-OE2 3.29Å; Y331-E357 HydrophobicContact CE2-CB 4.48Å; Y331-E357 PolarHBondContact OH-OE1 3.25Å; A354-E357 PolarHBondContact O-N 2.96Å
358	N	92	Very high	95.1	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.043	17%	0.166	C	C	.	.			trans	-131	32	-170.2	-54.2	-90.7	0	0	0	111.9	L328 A354 L360 V361 L364	L328-N358 WeakPolarHBondContact CB-OD1 3.33Å; L328-N358 HydrophobicContact CD1-CB 4.07Å; A354-N358 VanDerWaalsContact O-CB 3.28Å; A354-N358 WeakPolarHBondContact O-CB 3.38Å; A354-N358 PolarHBondContact O-N 3.03Å; A354-N358 PolarHBondContact O-ND2 3.41Å; N358-L360 PolarHBondContact O-N 3.28Å; N358-L360 VanDerWaalsContact O-N 3.16Å; N358-V361 HydrophobicContact CB-CG2 4Å; N358-V361 WeakPolarHBondContact O-CB 3.43Å; N358-V361 PolarHBondContact O-N 2.85Å; N358-V361 VanDerWaalsContact O-N 3.13Å; N358-L364 HydrophobicContact CB-CD2 3.84Å
359	C	90.7	Very high	95.1	Very high	21 Å²	21	30 Å²	30	14%	0.142	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.9	-176.6	62.8	0	0	0	0	113.7	Y180 L355 V361 W365 N392	Y180-C359 HydrophobicContact CE1-CB 3.72Å; L355-C359 VanDerWaalsContact O-CA 3.22Å; L355-C359 WeakPolarHBondContact O-CA 3.44Å; L355-C359 WeakPolarHBondContact O-CB 3.25Å; L355-C359 PolarHBondContact O-N 3.2Å; C359-V361 VanDerWaalsContact C-N 3.28Å; C359-V361 PolarHBondContact O-N 2.97Å; C359-W365 PolarHBondContact O-NE1 3.3Å; C359-N392 WeakPolarHBondContact CB-OD1 3.31Å
360	L	90.1	Very high	95.1	Very high	113 Å²	113	32.4 Å²	32.4	59%	0.592	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	15.3	180	-47.8	-176.1	0	0	0	113.7	N358 P362 W395	N358-L360 PolarHBondContact O-N 3.28Å; N358-L360 VanDerWaalsContact O-N 3.16Å; L360-P362 WeakPolarHBondContact O-CD 3.22Å; L360-W395 HydrophobicContact CD2-CH2 4.29Å
361	V	94.4	Very high	95.1	Very high	37 Å²	37	33.4 Å²	33.4	22%	0.224	17%	0.171	C	C	.	.			trans	-105.4	100.1	-179.9	-176.8	0	0	0	0	110.4	L328 N358 C359 D363 L364 W365	L328-V361 HydrophobicContact CD2-CG1 4.38Å; L328-V361 HydrophobicContact CD2-CG2 4.27Å; N358-V361 HydrophobicContact CB-CG2 4Å; N358-V361 WeakPolarHBondContact O-CB 3.43Å; N358-V361 PolarHBondContact O-N 2.85Å; N358-V361 VanDerWaalsContact O-N 3.13Å; C359-V361 VanDerWaalsContact C-N 3.28Å; C359-V361 PolarHBondContact O-N 2.97Å; V361-D363 VanDerWaalsContact C-N 3.32Å; V361-D363 PolarHBondContact O-N 2.68Å; V361-L364 HydrophobicContact CB-CB 4.16Å; V361-L364 HydrophobicContact CG1-CB 4.03Å; V361-L364 WeakPolarHBondContact O-CB 3.4Å; V361-L364 PolarHBondContact O-N 3.4Å; V361-L364 VanDerWaalsContact O-N 3.12Å; V361-W365 PolarHBondContact O-N 2.85Å
362	P	95.1	Very high	95	Very high	30 Å²	30	33.4 Å²	33.4	20%	0.195	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-33.7	-173	-20.7	31.6	0	0	0	113.7	L360 L364 W365 I366 C393 T396 L399	L360-P362 WeakPolarHBondContact O-CD 3.22Å; P362-L364 VanDerWaalsContact C-N 3.26Å; P362-L364 PolarHBondContact O-N 3.09Å; P362-W365 PolarHBondContact O-N 3.11Å; P362-I366 WeakPolarHBondContact O-CB 3.42Å; P362-I366 WeakPolarHBondContact O-CG1 3.36Å; P362-I366 PolarHBondContact O-N 3.5Å; P362-C393 HydrophobicContact CB-CB 4.43Å; P362-C393 HydrophobicContact CG-CB 4.1Å; P362-T396 HydrophobicContact CB-CG2 3.87Å; P362-T396 HydrophobicContact CG-CG2 4.4Å; P362-T396 VanDerWaalsContact CG-OG1 3.32Å; P362-T396 WeakPolarHBondContact CG-OG1 3.38Å; P362-L399 HydrophobicContact CB-CD1 4.3Å
363	D	96.6	Very high	94.7	Very high	122 Å²	122	33.3 Å²	33.3	65%	0.652	17%	0.171	S	C	*	.	H	α-helix	trans	-65.1	-28.6	178.1	-74	-42.6	0	0	0	113	V361 R367	V361-D363 VanDerWaalsContact C-N 3.32Å; V361-D363 PolarHBondContact O-N 2.68Å; D363-R367 VanDerWaalsContact O-CB 3.28Å; D363-R367 WeakPolarHBondContact O-CB 3.28Å; D363-R367 PolarHBondContact O-N 3.15Å
364	L	97.1	Very high	94.6	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-72.1	-44.6	176	-176.9	57.9	0	0	0	110.6	L328 I335 F351 A354 L355 N358 V361 P362 R367 Y368	L328-L364 HydrophobicContact CD1-CD2 4.36Å; I335-L364 HydrophobicContact CD1-CD1 3.74Å; F351-L364 HydrophobicContact CD1-CD1 4Å; F351-L364 HydrophobicContact CE1-CD1 4.11Å; A354-L364 HydrophobicContact CB-CD2 4.04Å; L355-L364 HydrophobicContact CD2-CB 4.29Å; L355-L364 HydrophobicContact CD2-CD2 3.74Å; L355-L364 HydrophobicContact CD2-CG 3.7Å; L355-L364 HydrophobicContact CG-CD2 4.09Å; L355-L364 HydrophobicContact CG-CG 4.16Å; N358-L364 HydrophobicContact CB-CD2 3.84Å; V361-L364 HydrophobicContact CB-CB 4.16Å; V361-L364 HydrophobicContact CG1-CB 4.03Å; V361-L364 WeakPolarHBondContact O-CB 3.4Å; V361-L364 PolarHBondContact O-N 3.4Å; V361-L364 VanDerWaalsContact O-N 3.12Å; P362-L364 VanDerWaalsContact C-N 3.26Å; P362-L364 PolarHBondContact O-N 3.09Å; L364-R367 PolarHBondContact O-N 2.7Å; L364-Y368 WeakPolarHBondContact O-CB 3.26Å; L364-Y368 PolarHBondContact O-N 3.04Å
365	W	97.7	Very high	94.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-46.5	170	-73.1	107.6	0	0	0	112.1	L355 C359 V361 P362 R367 Y368 S369 V385 R388 A389 N392 L399	L355-W365 HydrophobicContact CD1-CD2 4.33Å; L355-W365 HydrophobicContact CD1-CE3 3.96Å; L355-W365 HydrophobicContact CD1-CH2 4.07Å; L355-W365 HydrophobicContact CD1-CZ2 4.42Å; L355-W365 HydrophobicContact CD1-CZ3 3.84Å; L355-W365 HydrophobicContact CD2-CD2 3.71Å; L355-W365 HydrophobicContact CD2-CE3 4.2Å; L355-W365 HydrophobicContact CD2-CG 4.05Å; L355-W365 HydrophobicContact CD2-CH2 4.35Å; L355-W365 HydrophobicContact CD2-CZ2 3.87Å; C359-W365 PolarHBondContact O-NE1 3.3Å; V361-W365 PolarHBondContact O-N 2.85Å; P362-W365 PolarHBondContact O-N 3.11Å; W365-R367 VanDerWaalsContact C-N 3.31Å; W365-R367 PolarHBondContact O-N 3.13Å; W365-Y368 PolarHBondContact O-N 2.84Å; W365-S369 WeakPolarHBondContact O-CB 3.44Å; W365-S369 PolarHBondContact O-N 3.06Å; W365-V385 HydrophobicContact CE3-CG1 4.24Å; W365-V385 HydrophobicContact CZ3-CG1 4.25Å; W365-R388 HydrophobicContact CH2-CB 3.79Å; W365-R388 HydrophobicContact CZ3-CB 3.87Å; W365-A389 HydrophobicContact CB-CB 3.83Å; W365-A389 HydrophobicContact CD2-CB 3.66Å; W365-A389 HydrophobicContact CE3-CB 3.6Å; W365-A389 HydrophobicContact CG-CB 3.78Å; W365-A389 HydrophobicContact CZ3-CB 4.41Å; W365-N392 HydrophobicContact CZ2-CB 3.97Å; W365-N392 WeakPolarHBondContact CZ2-ND2 3.25Å; W365-L399 HydrophobicContact CB-CD2 3.98Å
366	I	97.7	Very high	94.2	Very high	25 Å²	25	48.6 Å²	48.6	13%	0.128	24%	0.238	C	C	.	.	H	α-helix	trans	-57.5	-44.1	176.2	-77.2	169.8	0	0	0	110.8	P362 Q370 A398 L399	P362-I366 WeakPolarHBondContact O-CB 3.42Å; P362-I366 WeakPolarHBondContact O-CG1 3.36Å; P362-I366 PolarHBondContact O-N 3.5Å; I366-Q370 WeakPolarHBondContact O-CB 3.34Å; I366-Q370 PolarHBondContact O-N 2.73Å; I366-A398 HydrophobicContact CD1-CB 4.39Å; I366-L399 HydrophobicContact CD1-CD2 4.41Å; I366-L399 HydrophobicContact CG1-CD2 3.63Å
367	R	97.8	Very high	94.2	Very high	81 Å²	81	51.4 Å²	51.4	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-65.5	-44.7	179.3	-173.4	-177.2	170.1	157.8	3.7	111.6	D336 M339 F351 D363 L364 W365 Y371	D336-R367 IonicContact OD1-CZ 3.99Å; D336-R367 IonicContact OD1-NH1 3.5Å; D336-R367 PolarHBondContact OD1-NH1 2.83Å; D336-R367 IonicContact OD1-NH2 2.75Å; D336-R367 PolarHBondContact OD1-NH2 3.36Å; M339-R367 PolarHBondContact SD-NH2 3.39Å; F351-R367 HydrophobicContact CE1-CB 4.31Å; F351-R367 HydrophobicContact CE1-CG 3.99Å; F351-R367 HydrophobicContact CZ-CG 3.91Å; D363-R367 VanDerWaalsContact O-CB 3.28Å; D363-R367 WeakPolarHBondContact O-CB 3.28Å; D363-R367 PolarHBondContact O-N 3.15Å; L364-R367 PolarHBondContact O-N 2.7Å; W365-R367 VanDerWaalsContact C-N 3.31Å; W365-R367 PolarHBondContact O-N 3.13Å; R367-Y371 PolarHBondContact O-N 3.27Å; R367-Y371 VanDerWaalsContact O-N 3.15Å
368	Y	97.9	Very high	94.4	Very high	1 Å²	1	52 Å²	52	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-68.2	-51.5	179.3	-179.1	-147.2	0	0	0	112.1	Q348 F351 E352 L355 L364 W365 Q370 Y371 L372 V385	Q348-Y368 HydrophobicContact CG-CE2 4.28Å; F351-Y368 HydrophobicContact CB-CD1 4.16Å; F351-Y368 HydrophobicContact CB-CD2 3.51Å; F351-Y368 HydrophobicContact CB-CE1 4.33Å; F351-Y368 HydrophobicContact CB-CE2 3.74Å; F351-Y368 HydrophobicContact CB-CG 3.73Å; F351-Y368 HydrophobicContact CD1-CD2 4.16Å; F351-Y368 HydrophobicContact CD1-CG 4.05Å; F351-Y368 AromaticContact CD2-CD2 3.38Å; F351-Y368 HydrophobicContact CD2-CD2 3.38Å; F351-Y368 AromaticContact CD2-CE2 3.98Å; F351-Y368 HydrophobicContact CD2-CE2 3.98Å; F351-Y368 HydrophobicContact CD2-CG 4.11Å; F351-Y368 HydrophobicContact CE2-CD2 4.07Å; F351-Y368 AromaticContact CG-CD2 3.44Å; F351-Y368 HydrophobicContact CG-CD2 3.44Å; F351-Y368 VanDerWaalsContact CG-CD2 3.44Å; F351-Y368 HydrophobicContact CG-CE2 4.1Å; F351-Y368 AromaticContact CG-CG 3.73Å; F351-Y368 HydrophobicContact CG-CG 3.73Å; E352-Y368 HydrophobicContact CG-CE1 4.44Å; E352-Y368 WeakPolarHBondContact OE1-CE1 3.49Å; E352-Y368 VanDerWaalsContact OE1-CZ 3.31Å; E352-Y368 PolarHBondContact OE1-OH 3.3Å; L355-Y368 HydrophobicContact CD1-CD1 3.45Å; L355-Y368 VanDerWaalsContact CD1-CD1 3.45Å; L355-Y368 HydrophobicContact CD1-CE1 3.94Å; L355-Y368 HydrophobicContact CD1-CG 4.31Å; L364-Y368 WeakPolarHBondContact O-CB 3.26Å; L364-Y368 PolarHBondContact O-N 3.04Å; W365-Y368 PolarHBondContact O-N 2.84Å; Y368-Q370 VanDerWaalsContact C-N 3.27Å; Y368-Q370 PolarHBondContact O-N 3.04Å; Y368-Y371 WeakPolarHBondContact O-CB 3.37Å; Y368-Y371 PolarHBondContact O-N 3.29Å; Y368-L372 HydrophobicContact CD2-CD1 4.12Å; Y368-L372 HydrophobicContact CD2-CG 4.17Å; Y368-L372 HydrophobicContact CE1-CD1 4.34Å; Y368-L372 HydrophobicContact CE2-CD1 3.73Å; Y368-L372 HydrophobicContact CE2-CD2 4.11Å; Y368-L372 HydrophobicContact CE2-CG 3.95Å; Y368-L372 PolarHBondContact O-N 3.35Å; Y368-L372 VanDerWaalsContact O-N 3.12Å; Y368-V385 HydrophobicContact CD1-CG1 3.49Å; Y368-V385 VanDerWaalsContact CD1-CG1 3.49Å; Y368-V385 HydrophobicContact CD1-CG2 4.33Å; Y368-V385 HydrophobicContact CE1-CB 4.3Å; Y368-V385 HydrophobicContact CE1-CG1 3.65Å; Y368-V385 HydrophobicContact CE1-CG2 3.6Å; Y368-V385 HydrophobicContact CG-CG1 4.27Å
369	S	96.8	Very high	94.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.3	-37.2	-179.6	98.5	0	0	0	0	111.2	W365 Y371 L372 D373 H386	W365-S369 WeakPolarHBondContact O-CB 3.44Å; W365-S369 PolarHBondContact O-N 3.06Å; S369-Y371 PolarHBondContact O-N 3.29Å; S369-L372 PolarHBondContact O-N 2.92Å; S369-D373 VanDerWaalsContact O-CB 3.3Å; S369-D373 WeakPolarHBondContact O-CB 3.41Å; S369-D373 PolarHBondContact O-N 3.26Å; S369-H386 WeakPolarHBondContact CB-NE2 3.4Å; S369-H386 PolarHBondContact OG-CE1 2.72Å; S369-H386 PolarHBondContact OG-NE2 3.03Å
370	Q	96.6	Very high	94.6	Very high	61 Å²	61	60.1 Å²	60.1	29%	0.285	29%	0.29	S	S	.	.	H	α-helix	trans	-66.6	-31.4	174.3	-177.7	170.4	-66.1	0	0	113.8	I366 Y368 R374	I366-Q370 WeakPolarHBondContact O-CB 3.34Å; I366-Q370 PolarHBondContact O-N 2.73Å; Y368-Q370 VanDerWaalsContact C-N 3.27Å; Y368-Q370 PolarHBondContact O-N 3.04Å; Q370-R374 HydrophobicContact CG-CG 4.47Å; Q370-R374 WeakPolarHBondContact O-CB 3.47Å; Q370-R374 VanDerWaalsContact O-CG 3.29Å; Q370-R374 WeakPolarHBondContact O-CG 3.41Å; Q370-R374 PolarHBondContact O-N 2.99Å
371	Y	96.6	Very high	94.8	Very high	24 Å²	24	56.8 Å²	56.8	9%	0.094	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-48.1	171.9	168.1	-101.4	0	0	0	110.3	M339 P344 I347 F351 R367 Y368 S369 R374 Q375 L376	M339-Y371 HydrophobicContact CE-CD2 3.95Å; P344-Y371 WeakPolarHBondContact CA-OH 3.49Å; I347-Y371 HydrophobicContact CB-CE1 4.19Å; I347-Y371 HydrophobicContact CD1-CE2 4.11Å; I347-Y371 WeakPolarHBondContact CD1-OH 3.4Å; I347-Y371 HydrophobicContact CG2-CD1 3.89Å; I347-Y371 HydrophobicContact CG2-CD2 4.41Å; I347-Y371 HydrophobicContact CG2-CE1 3.48Å; I347-Y371 VanDerWaalsContact CG2-CE1 3.48Å; I347-Y371 HydrophobicContact CG2-CE2 4.05Å; I347-Y371 HydrophobicContact CG2-CG 4.34Å; F351-Y371 HydrophobicContact CE2-CD1 4.5Å; F351-Y371 HydrophobicContact CE2-CG 4.49Å; R367-Y371 PolarHBondContact O-N 3.27Å; R367-Y371 VanDerWaalsContact O-N 3.15Å; Y368-Y371 WeakPolarHBondContact O-CB 3.37Å; Y368-Y371 PolarHBondContact O-N 3.29Å; S369-Y371 PolarHBondContact O-N 3.29Å; Y371-R374 PolarHBondContact O-N 2.98Å; Y371-Q375 HydrophobicContact CD2-CB 4.35Å; Y371-Q375 HydrophobicContact CD2-CG 3.78Å; Y371-Q375 HydrophobicContact CE2-CB 4.14Å; Y371-Q375 HydrophobicContact CE2-CG 3.85Å; Y371-Q375 WeakPolarHBondContact O-CB 3.43Å; Y371-Q375 WeakPolarHBondContact O-CG 3.48Å; Y371-Q375 PolarHBondContact O-N 2.67Å; Y371-L376 HydrophobicContact CD1-CD1 4.32Å; Y371-L376 HydrophobicContact CE1-CD1 3.51Å; Y371-L376 HydrophobicContact CE2-CD1 4.44Å; Y371-L376 WeakPolarHBondContact OH-CD1 3.42Å
372	L	95.5	Very high	94.9	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.262	C	S	.	.	I	π-helix	trans	-63.9	-46.9	178.5	-60.1	175.9	0	0	0	112.4	Q348 Y368 S369 R374 L376 K377 L381 V382 V385	Q348-L372 HydrophobicContact CG-CD2 4.26Å; Y368-L372 HydrophobicContact CD2-CD1 4.12Å; Y368-L372 HydrophobicContact CD2-CG 4.17Å; Y368-L372 HydrophobicContact CE1-CD1 4.34Å; Y368-L372 HydrophobicContact CE2-CD1 3.73Å; Y368-L372 HydrophobicContact CE2-CD2 4.11Å; Y368-L372 HydrophobicContact CE2-CG 3.95Å; Y368-L372 PolarHBondContact O-N 3.35Å; Y368-L372 VanDerWaalsContact O-N 3.12Å; S369-L372 PolarHBondContact O-N 2.92Å; L372-R374 PolarHBondContact O-N 3.48Å; L372-L376 HydrophobicContact CD2-CB 4.44Å; L372-L376 HydrophobicContact CD2-CD2 3.87Å; L372-L376 PolarHBondContact O-N 3.18Å; L372-K377 PolarHBondContact O-N 2.84Å; L372-L381 HydrophobicContact CD1-CG 4.2Å; L372-L381 HydrophobicContact CD2-CD2 3.87Å; L372-L381 HydrophobicContact CD2-CG 4.34Å; L372-V382 HydrophobicContact CB-CG2 3.86Å; L372-V385 HydrophobicContact CD1-CB 3.85Å; L372-V385 HydrophobicContact CD1-CG1 3.98Å; L372-V385 HydrophobicContact CD1-CG2 3.65Å
373	D	90.7	Very high	94.9	Very high	20 Å²	20	54.7 Å²	54.7	11%	0.107	26%	0.259	C	S	.	.	I	π-helix	trans	-54	-34.7	177.3	-113.7	9.6	0	0	0	113.2	S369 K377 V382 H386 R409	S369-D373 VanDerWaalsContact O-CB 3.3Å; S369-D373 WeakPolarHBondContact O-CB 3.41Å; S369-D373 PolarHBondContact O-N 3.26Å; D373-K377 WeakPolarHBondContact O-CE 3.49Å; D373-K377 WeakPolarHBondContact O-CG 3.21Å; D373-V382 WeakPolarHBondContact OD1-CG1 3.41Å; D373-H386 IonicContact OD1-CE1 2.73Å; D373-R409 IonicContact OD1-NH1 3.6Å; D373-R409 PolarHBondContact OD1-NH1 3.09Å; D373-R409 IonicContact OD2-CZ 2.73Å; D373-R409 IonicContact OD2-NH1 3.66Å; D373-R409 PolarHBondContact OD2-NH1 3.4Å; D373-R409 IonicContact OD2-NH2 3.65Å; D373-R409 PolarHBondContact OD2-NH2 3.2Å
374	R	92.3	Very high	94.9	Very high	152 Å²	152	51.2 Å²	51.2	57%	0.574	24%	0.244	S	C	*	.	I	π-helix	trans	-104.2	-36.2	-168.8	-65.7	-176.1	-178.6	-169.7	3.7	113.4	Q370 Y371 L372 K377	Q370-R374 HydrophobicContact CG-CG 4.47Å; Q370-R374 WeakPolarHBondContact O-CB 3.47Å; Q370-R374 VanDerWaalsContact O-CG 3.29Å; Q370-R374 WeakPolarHBondContact O-CG 3.41Å; Q370-R374 PolarHBondContact O-N 2.99Å; Y371-R374 PolarHBondContact O-N 2.98Å; L372-R374 PolarHBondContact O-N 3.48Å; R374-K377 WeakPolarHBondContact O-CE 3.41Å; R374-K377 PolarHBondContact O-NZ 3.22Å
375	Q	91.8	Very high	94.8	Very high	139 Å²	139	50.9 Å²	50.9	65%	0.65	24%	0.242	S	C	*	.	I	π-helix	trans	-99.7	-58.9	-175.2	-50.9	-59	-7.7	0	0	112.2	Y371	Y371-Q375 HydrophobicContact CD2-CB 4.35Å; Y371-Q375 HydrophobicContact CD2-CG 3.78Å; Y371-Q375 HydrophobicContact CE2-CB 4.14Å; Y371-Q375 HydrophobicContact CE2-CG 3.85Å; Y371-Q375 WeakPolarHBondContact O-CB 3.43Å; Y371-Q375 WeakPolarHBondContact O-CG 3.48Å; Y371-Q375 PolarHBondContact O-N 2.67Å
376	L	89.6	Confident	94.8	Very high	44 Å²	44	51 Å²	51	23%	0.23	24%	0.243	C	C	.	.	I	π-helix	trans	-83.5	-43.9	-170.9	-81.5	69	0	0	0	113.2	P344 Y371 L372 V378 L381	P344-L376 HydrophobicContact CB-CD1 4.29Å; P344-L376 HydrophobicContact CB-CD2 4.33Å; Y371-L376 HydrophobicContact CD1-CD1 4.32Å; Y371-L376 HydrophobicContact CE1-CD1 3.51Å; Y371-L376 HydrophobicContact CE2-CD1 4.44Å; Y371-L376 WeakPolarHBondContact OH-CD1 3.42Å; L372-L376 HydrophobicContact CD2-CB 4.44Å; L372-L376 HydrophobicContact CD2-CD2 3.87Å; L372-L376 PolarHBondContact O-N 3.18Å; L376-V378 HydrophobicContact CB-CG2 4.45Å; L376-V378 PolarHBondContact O-N 3.39Å; L376-L381 HydrophobicContact CD2-CD2 4.08Å
377	K	91.8	Very high	94.7	Very high	130 Å²	130	52.7 Å²	52.7	57%	0.565	25%	0.252	S	S	*	.			trans	54.1	23	179.3	-63.3	171.1	-177.8	162.6	0	115.3	L372 D373 R374 K379 H410	L372-K377 PolarHBondContact O-N 2.84Å; D373-K377 WeakPolarHBondContact O-CE 3.49Å; D373-K377 WeakPolarHBondContact O-CG 3.21Å; R374-K377 WeakPolarHBondContact O-CE 3.41Å; R374-K377 PolarHBondContact O-NZ 3.22Å; K377-K379 PolarHBondContact O-N 2.95Å; K377-H410 PolarHBondContact O-CE1 3.28Å
378	V	94.4	Very high	94.6	Very high	77 Å²	77	49.5 Å²	49.5	47%	0.467	24%	0.24	S	C	.	.			trans	-74.2	110.4	173.9	178	0	0	0	0	108.5	L376 D380 L381 V382	L376-V378 HydrophobicContact CB-CG2 4.45Å; L376-V378 PolarHBondContact O-N 3.39Å; V378-D380 PolarHBondContact O-N 3.39Å; V378-L381 HydrophobicContact CB-CB 4.16Å; V378-L381 HydrophobicContact CB-CD2 4.42Å; V378-L381 HydrophobicContact CG1-CB 4.03Å; V378-L381 PolarHBondContact O-N 3.37Å; V378-V382 WeakPolarHBondContact O-CB 3.32Å; V378-V382 VanDerWaalsContact O-CG2 3.3Å; V378-V382 WeakPolarHBondContact O-CG2 3.25Å; V378-V382 PolarHBondContact O-N 3.19Å
379	K	94.2	Very high	94.5	Very high	78 Å²	78	49.4 Å²	49.4	34%	0.339	24%	0.24	S	C	.	.	H	α-helix	trans	-46.3	-58.9	-170.3	174.8	167.2	178.2	163.5	0	113.3	K377 L381 V382 L383 H410	K377-K379 PolarHBondContact O-N 2.95Å; K379-L381 PolarHBondContact O-N 3.25Å; K379-V382 PolarHBondContact O-N 3.12Å; K379-L383 HydrophobicContact CD-CD1 4.45Å; K379-L383 HydrophobicContact CG-CD1 3.71Å; K379-L383 HydrophobicContact CG-CG 4.46Å; K379-L383 WeakPolarHBondContact O-CB 3.3Å; K379-L383 VanDerWaalsContact O-CG 3.27Å; K379-L383 WeakPolarHBondContact O-CG 3.27Å; K379-L383 PolarHBondContact O-N 2.65Å; K379-H410 HydrophobicContact CD-CB 3.97Å; K379-H410 WeakPolarHBondContact CE-O 3.4Å; K379-H410 HydrophobicContact CG-CB 3.87Å; K379-H410 PolarHBondContact NZ-O 2.81Å
380	D	92.9	Very high	94.4	Very high	120 Å²	120	49.7 Å²	49.7	64%	0.642	24%	0.242	S	C	*	.	H	α-helix	trans	-72.7	-32.9	-167.9	-49.4	-52	0	0	0	112	V378 S384	V378-D380 PolarHBondContact O-N 3.39Å; D380-S384 WeakPolarHBondContact O-CB 3.3Å; D380-S384 PolarHBondContact O-N 2.82Å
381	L	93.6	Very high	94.2	Very high	43 Å²	43	49.2 Å²	49.2	23%	0.225	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-49.2	170.9	175.5	65.8	0	0	0	111.8	L372 L376 V378 K379 L383 S384 V385	L372-L381 HydrophobicContact CD1-CG 4.2Å; L372-L381 HydrophobicContact CD2-CD2 3.87Å; L372-L381 HydrophobicContact CD2-CG 4.34Å; L376-L381 HydrophobicContact CD2-CD2 4.08Å; V378-L381 HydrophobicContact CB-CB 4.16Å; V378-L381 HydrophobicContact CB-CD2 4.42Å; V378-L381 HydrophobicContact CG1-CB 4.03Å; V378-L381 PolarHBondContact O-N 3.37Å; K379-L381 PolarHBondContact O-N 3.25Å; L381-L383 PolarHBondContact O-N 2.85Å; L381-S384 PolarHBondContact O-N 3.41Å; L381-V385 HydrophobicContact CD1-CG2 4.38Å; L381-V385 WeakPolarHBondContact O-CG2 3.13Å; L381-V385 PolarHBondContact O-N 3.05Å
382	V	95.8	Very high	93.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-45	178.7	168.1	0	0	0	0	111.1	L372 D373 V378 K379 H386 A406	L372-V382 HydrophobicContact CB-CG2 3.86Å; D373-V382 WeakPolarHBondContact OD1-CG1 3.41Å; V378-V382 WeakPolarHBondContact O-CB 3.32Å; V378-V382 VanDerWaalsContact O-CG2 3.3Å; V378-V382 WeakPolarHBondContact O-CG2 3.25Å; V378-V382 PolarHBondContact O-N 3.19Å; K379-V382 PolarHBondContact O-N 3.12Å; V382-H386 PolarHBondContact O-N 3.06Å; V382-H386 VanDerWaalsContact O-N 3.15Å; V382-H386 PolarHBondContact O-ND1 3.32Å; V382-A406 HydrophobicContact CG1-CB 4.16Å
383	L	96.3	Very high	93.7	Very high	24 Å²	24	48.5 Å²	48.5	13%	0.126	24%	0.235	C	C	.	.	H	α-helix	trans	-73.2	-35.8	-179	-64.8	176.7	0	0	0	112.1	K379 L381 N387 Y403 A406 M407 H410 V412	K379-L383 HydrophobicContact CD-CD1 4.45Å; K379-L383 HydrophobicContact CG-CD1 3.71Å; K379-L383 HydrophobicContact CG-CG 4.46Å; K379-L383 WeakPolarHBondContact O-CB 3.3Å; K379-L383 VanDerWaalsContact O-CG 3.27Å; K379-L383 WeakPolarHBondContact O-CG 3.27Å; K379-L383 PolarHBondContact O-N 2.65Å; L381-L383 PolarHBondContact O-N 2.85Å; L383-N387 WeakPolarHBondContact O-CB 3.47Å; L383-N387 PolarHBondContact O-N 3.07Å; L383-Y403 HydrophobicContact CD2-CE2 4.31Å; L383-A406 HydrophobicContact CD2-CB 4.26Å; L383-M407 HydrophobicContact CD2-CB 4.39Å; L383-M407 HydrophobicContact CD2-CG 3.81Å; L383-H410 HydrophobicContact CD1-CB 4.25Å; L383-V412 HydrophobicContact CD1-CG2 3.57Å; L383-V412 HydrophobicContact CD2-CG2 4.38Å
384	S	95.1	Very high	93.8	Very high	49 Å²	49	49 Å²	49	34%	0.343	24%	0.239	S	C	.	.	H	α-helix	trans	-60.4	-50.9	172.3	176.7	0	0	0	0	111.5	D380 L381 H386 N387 R388	D380-S384 WeakPolarHBondContact O-CB 3.3Å; D380-S384 PolarHBondContact O-N 2.82Å; L381-S384 PolarHBondContact O-N 3.41Å; S384-H386 PolarHBondContact O-N 2.67Å; S384-N387 WeakPolarHBondContact O-CB 3.45Å; S384-N387 PolarHBondContact O-N 3.16Å; S384-N387 VanDerWaalsContact O-N 3.15Å; S384-R388 VanDerWaalsContact O-CG 3.28Å; S384-R388 WeakPolarHBondContact O-CG 3.34Å; S384-R388 PolarHBondContact O-N 2.76Å
385	V	96.4	Very high	93.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-37.9	-179.3	169.8	0	0	0	0	112.1	W365 Y368 L372 L381 A389	W365-V385 HydrophobicContact CE3-CG1 4.24Å; W365-V385 HydrophobicContact CZ3-CG1 4.25Å; Y368-V385 HydrophobicContact CD1-CG1 3.49Å; Y368-V385 VanDerWaalsContact CD1-CG1 3.49Å; Y368-V385 HydrophobicContact CD1-CG2 4.33Å; Y368-V385 HydrophobicContact CE1-CB 4.3Å; Y368-V385 HydrophobicContact CE1-CG1 3.65Å; Y368-V385 HydrophobicContact CE1-CG2 3.6Å; Y368-V385 HydrophobicContact CG-CG1 4.27Å; L372-V385 HydrophobicContact CD1-CB 3.85Å; L372-V385 HydrophobicContact CD1-CG1 3.98Å; L372-V385 HydrophobicContact CD1-CG2 3.65Å; L381-V385 HydrophobicContact CD1-CG2 4.38Å; L381-V385 WeakPolarHBondContact O-CG2 3.13Å; L381-V385 PolarHBondContact O-N 3.05Å; V385-A389 WeakPolarHBondContact O-CB 3.49Å; V385-A389 PolarHBondContact O-N 2.97Å
386	H	97.1	Very high	93.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-38.1	173.1	-76.8	98.5	0	0	0	113	S369 D373 V382 S384 A389 V390 Y403	S369-H386 WeakPolarHBondContact CB-NE2 3.4Å; S369-H386 PolarHBondContact OG-CE1 2.72Å; S369-H386 PolarHBondContact OG-NE2 3.03Å; D373-H386 IonicContact OD1-CE1 2.73Å; V382-H386 PolarHBondContact O-N 3.06Å; V382-H386 VanDerWaalsContact O-N 3.15Å; V382-H386 PolarHBondContact O-ND1 3.32Å; S384-H386 PolarHBondContact O-N 2.67Å; H386-A389 PolarHBondContact O-N 3.37Å; H386-V390 PolarHBondContact O-N 2.75Å; H386-V390 VanDerWaalsContact O-N 3.13Å; H386-Y403 HydrophobicContact CB-CD2 3.37Å; H386-Y403 HydrophobicContact CB-CE2 4.03Å; H386-Y403 HydrophobicContact CB-CG 3.81Å
387	N	95.4	Very high	94.2	Very high	61 Å²	61	40.2 Å²	40.2	33%	0.326	20%	0.201	S	C	.	.	H	α-helix	trans	-63	-45.5	175.1	-173	-87.8	0	0	0	111.8	L383 S384 A389 V390 R391 Y403	L383-N387 WeakPolarHBondContact O-CB 3.47Å; L383-N387 PolarHBondContact O-N 3.07Å; S384-N387 WeakPolarHBondContact O-CB 3.45Å; S384-N387 PolarHBondContact O-N 3.16Å; S384-N387 VanDerWaalsContact O-N 3.15Å; N387-A389 VanDerWaalsContact C-N 3.33Å; N387-A389 PolarHBondContact O-N 2.9Å; N387-V390 VanDerWaalsContact O-CG2 3.25Å; N387-V390 WeakPolarHBondContact O-CG2 3.27Å; N387-V390 PolarHBondContact O-N 3.12Å; N387-R391 PolarHBondContact O-N 2.93Å; N387-R391 VanDerWaalsContact O-N 3.11Å; N387-Y403 HydrophobicContact CB-CE1 4.39Å; N387-Y403 PolarHBondContact ND2-OH 3.03Å
388	R	95.1	Very high	94.5	Very high	14 Å²	14	35.3 Å²	35.3	5%	0.053	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-40.3	175	-67.2	164.3	66.9	-142.9	-5	111.4	K178 D179 E352 W365 S384 R391 N392	K178-R388 WeakPolarHBondContact O-CD 3.27Å; K178-R388 PolarHBondContact O-NE 2.87Å; D179-R388 VanDerWaalsContact O-CZ 3.27Å; D179-R388 PolarHBondContact O-NE 2.88Å; D179-R388 PolarHBondContact O-NH2 3.26Å; E352-R388 VanDerWaalsContact CD-NH1 3.29Å; E352-R388 IonicContact OE1-CZ 3.72Å; E352-R388 IonicContact OE1-NH1 3.13Å; E352-R388 PolarHBondContact OE1-NH1 2.91Å; E352-R388 IonicContact OE1-NH2 2.73Å; E352-R388 IonicContact OE2-CZ 2.7Å; E352-R388 VanDerWaalsContact OE2-CZ 3.3Å; E352-R388 IonicContact OE2-NH1 3.62Å; E352-R388 PolarHBondContact OE2-NH1 3.13Å; E352-R388 IonicContact OE2-NH2 2.69Å; E352-R388 PolarHBondContact OE2-NH2 3.37Å; W365-R388 HydrophobicContact CH2-CB 3.79Å; W365-R388 HydrophobicContact CZ3-CB 3.87Å; S384-R388 VanDerWaalsContact O-CG 3.28Å; S384-R388 WeakPolarHBondContact O-CG 3.34Å; S384-R388 PolarHBondContact O-N 2.76Å; R388-R391 PolarHBondContact O-N 3.44Å; R388-N392 WeakPolarHBondContact O-CB 3.08Å; R388-N392 PolarHBondContact O-N 3.01Å; R388-N392 PolarHBondContact O-ND2 3.17Å
389	A	95.8	Very high	94.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-45.3	176.6	0	0	0	0	0	112.9	W365 V385 H386 N387 N392 C393 L399	W365-A389 HydrophobicContact CB-CB 3.83Å; W365-A389 HydrophobicContact CD2-CB 3.66Å; W365-A389 HydrophobicContact CE3-CB 3.6Å; W365-A389 HydrophobicContact CG-CB 3.78Å; W365-A389 HydrophobicContact CZ3-CB 4.41Å; V385-A389 WeakPolarHBondContact O-CB 3.49Å; V385-A389 PolarHBondContact O-N 2.97Å; H386-A389 PolarHBondContact O-N 3.37Å; N387-A389 VanDerWaalsContact C-N 3.33Å; N387-A389 PolarHBondContact O-N 2.9Å; A389-N392 PolarHBondContact O-N 2.97Å; A389-C393 PolarHBondContact O-N 2.94Å; A389-L399 HydrophobicContact CB-CD1 4.24Å; A389-L399 HydrophobicContact CB-CD2 4.07Å
390	V	95	Very high	94.8	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.036	15%	0.15	C	C	.	.	H	α-helix	trans	-73.6	-26.9	179.7	-62.3	0	0	0	0	113.5	H386 N387 P394 L399 W400 Y403	H386-V390 PolarHBondContact O-N 2.75Å; H386-V390 VanDerWaalsContact O-N 3.13Å; N387-V390 VanDerWaalsContact O-CG2 3.25Å; N387-V390 WeakPolarHBondContact O-CG2 3.27Å; N387-V390 PolarHBondContact O-N 3.12Å; V390-P394 VanDerWaalsContact O-CA 3.27Å; V390-P394 WeakPolarHBondContact O-CA 3.48Å; V390-P394 WeakPolarHBondContact O-CB 3.41Å; V390-P394 WeakPolarHBondContact O-CD 3.34Å; V390-L399 HydrophobicContact CG1-CB 3.91Å; V390-W400 HydrophobicContact CB-CD2 3.9Å; V390-W400 HydrophobicContact CB-CE3 4.05Å; V390-W400 HydrophobicContact CB-CH2 3.99Å; V390-W400 HydrophobicContact CB-CZ2 3.83Å; V390-W400 HydrophobicContact CB-CZ3 4.1Å; V390-W400 HydrophobicContact CG1-CD2 3.66Å; V390-W400 HydrophobicContact CG1-CE3 3.92Å; V390-W400 HydrophobicContact CG1-CG 3.93Å; V390-W400 HydrophobicContact CG1-CZ3 4.46Å; V390-W400 HydrophobicContact CG2-CE3 4.22Å; V390-W400 HydrophobicContact CG2-CH2 4.01Å; V390-W400 HydrophobicContact CG2-CZ2 4.36Å; V390-W400 HydrophobicContact CG2-CZ3 3.94Å; V390-Y403 HydrophobicContact CG1-CD1 4.22Å; V390-Y403 HydrophobicContact CG2-CD1 3.89Å; V390-Y403 HydrophobicContact CG2-CE1 4.06Å
391	R	92.3	Very high	95.1	Very high	51 Å²	51	23.6 Å²	23.6	19%	0.192	12%	0.122	C	C	.	.	H	α-helix	trans	-71.4	-28.9	168.9	-78	174.2	63.9	-129.6	5.2	112.9	S139 F142 P143 D179 N387 R388	S139-R391 PolarHBondContact O-NH2 2.8Å; F142-R391 PolarHBondContact O-NH2 2.61Å; P143-R391 HydrophobicContact CG-CB 3.8Å; D179-R391 IonicContact OD1-CZ 2.72Å; D179-R391 VanDerWaalsContact OD1-CZ 3.3Å; D179-R391 IonicContact OD1-NH1 3.29Å; D179-R391 PolarHBondContact OD1-NH1 3.12Å; D179-R391 IonicContact OD1-NH2 3.32Å; D179-R391 PolarHBondContact OD1-NH2 3.06Å; D179-R391 IonicContact OD2-NH2 3.79Å; N387-R391 PolarHBondContact O-N 2.93Å; N387-R391 VanDerWaalsContact O-N 3.11Å; R388-R391 PolarHBondContact O-N 3.44Å
392	N	90.6	Very high	95.3	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.043	12%	0.123	C	C	.	.	H	α-helix	trans	-84.1	-38.1	178.7	-87.7	-72.9	0	0	0	114.5	P143 Y180 C359 W365 R388 A389 P394 W395	P143-N392 WeakPolarHBondContact CG-ND2 3.46Å; Y180-N392 PolarHBondContact OH-OD1 2.99Å; C359-N392 WeakPolarHBondContact CB-OD1 3.31Å; W365-N392 HydrophobicContact CZ2-CB 3.97Å; W365-N392 WeakPolarHBondContact CZ2-ND2 3.25Å; R388-N392 WeakPolarHBondContact O-CB 3.08Å; R388-N392 PolarHBondContact O-N 3.01Å; R388-N392 PolarHBondContact O-ND2 3.17Å; A389-N392 PolarHBondContact O-N 2.97Å; N392-P394 VanDerWaalsContact C-CD 3.42Å; N392-W395 VanDerWaalsContact O-CH2 3.3Å; N392-W395 WeakPolarHBondContact O-CH2 3.49Å
393	C	91.6	Very high	95.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.			trans	-131.7	54.1	-174.2	-71.9	0	0	0	0	111.7	P362 A389 W395 T396 L399	P362-C393 HydrophobicContact CB-CB 4.43Å; P362-C393 HydrophobicContact CG-CB 4.1Å; A389-C393 PolarHBondContact O-N 2.94Å; C393-W395 HydrophobicContact CB-CH2 4.44Å; C393-W395 HydrophobicContact CB-CZ2 3.99Å; C393-W395 PolarHBondContact O-N 3.12Å; C393-W395 VanDerWaalsContact O-N 3.12Å; C393-T396 PolarHBondContact O-N 3.03Å; C393-L399 HydrophobicContact CB-CD1 3.5Å
394	P	91.7	Very high	95.5	Very high	32 Å²	32	24.5 Å²	24.5	21%	0.208	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.5	-171.7	21.5	-33.6	0	0	0	113.8	V390 N392 T396 W400 A427 F429	V390-P394 VanDerWaalsContact O-CA 3.27Å; V390-P394 WeakPolarHBondContact O-CA 3.48Å; V390-P394 WeakPolarHBondContact O-CB 3.41Å; V390-P394 WeakPolarHBondContact O-CD 3.34Å; N392-P394 VanDerWaalsContact C-CD 3.42Å; P394-T396 PolarHBondContact O-N 2.68Å; P394-T396 VanDerWaalsContact O-N 3.13Å; P394-W400 HydrophobicContact CB-CZ2 4.35Å; P394-W400 PolarHBondContact O-NE1 2.84Å; P394-A427 HydrophobicContact CB-CB 4.26Å; P394-A427 WeakPolarHBondContact O-CB 3.46Å; P394-F429 WeakPolarHBondContact O-CE1 3.31Å
395	W	90.4	Very high	95.6	Very high	113 Å²	113	25 Å²	25	43%	0.428	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-7.8	176.6	59.2	82.5	0	0	0	114.8	L360 N392 C393	L360-W395 HydrophobicContact CD2-CH2 4.29Å; N392-W395 VanDerWaalsContact O-CH2 3.3Å; N392-W395 WeakPolarHBondContact O-CH2 3.49Å; C393-W395 HydrophobicContact CB-CH2 4.44Å; C393-W395 HydrophobicContact CB-CZ2 3.99Å; C393-W395 PolarHBondContact O-N 3.12Å; C393-W395 VanDerWaalsContact O-N 3.12Å
396	T	95.4	Very high	95.6	Very high	27 Å²	27	24.9 Å²	24.9	17%	0.166	12%	0.12	C	C	.	.			trans	-101.1	99	-177.1	-54.1	0	0	0	0	111.4	P362 C393 P394 A398 L399	P362-T396 HydrophobicContact CB-CG2 3.87Å; P362-T396 HydrophobicContact CG-CG2 4.4Å; P362-T396 VanDerWaalsContact CG-OG1 3.32Å; P362-T396 WeakPolarHBondContact CG-OG1 3.38Å; C393-T396 PolarHBondContact O-N 3.03Å; P394-T396 PolarHBondContact O-N 2.68Å; P394-T396 VanDerWaalsContact O-N 3.13Å; T396-A398 VanDerWaalsContact C-N 3.25Å; T396-A398 HydrophobicContact CG2-CB 4.34Å; T396-A398 PolarHBondContact O-N 3.22Å; T396-L399 HydrophobicContact CG2-CD1 4.45Å; T396-L399 HydrophobicContact CG2-CG 4.17Å; T396-L399 WeakPolarHBondContact O-CB 3.35Å; T396-L399 PolarHBondContact O-N 3.4Å
397	V	97.4	Very high	95.6	Very high	10 Å²	10	25 Å²	25	6%	0.061	12%	0.12	C	C	.	.	H	α-helix	trans	-52.6	-39.9	-179.5	62.6	0	0	0	0	113.7	L399 W400 S401 F429 D434 E437 I438	V397-L399 PolarHBondContact O-N 3.27Å; V397-W400 WeakPolarHBondContact O-CA 3.47Å; V397-W400 WeakPolarHBondContact O-CB 3.44Å; V397-W400 PolarHBondContact O-N 2.88Å; V397-S401 PolarHBondContact O-N 2.82Å; V397-S401 PolarHBondContact O-OG 3.33Å; V397-F429 HydrophobicContact CB-CD1 4.1Å; V397-F429 HydrophobicContact CB-CE1 3.89Å; V397-F429 HydrophobicContact CB-CE2 4.47Å; V397-F429 HydrophobicContact CB-CG 4.5Å; V397-F429 HydrophobicContact CB-CZ 4.09Å; V397-F429 HydrophobicContact CG2-CE1 4.49Å; V397-F429 HydrophobicContact CG2-CE2 4.37Å; V397-F429 HydrophobicContact CG2-CZ 4.19Å; V397-D434 HydrophobicContact CB-CB 4.06Å; V397-D434 HydrophobicContact CG1-CB 3.87Å; V397-D434 WeakPolarHBondContact CG2-O 3.38Å; V397-E437 HydrophobicContact CG2-CB 4.14Å; V397-E437 HydrophobicContact CG2-CG 4.47Å; V397-I438 HydrophobicContact CG2-CB 3.85Å; V397-I438 HydrophobicContact CG2-CD1 4.4Å
398	A	97.6	Very high	95.7	Very high	26 Å²	26	24.3 Å²	24.3	22%	0.215	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-17.1	-178.5	0	0	0	0	0	114.5	I366 T396 R402	I366-A398 HydrophobicContact CD1-CB 4.39Å; T396-A398 VanDerWaalsContact C-N 3.25Å; T396-A398 HydrophobicContact CG2-CB 4.34Å; T396-A398 PolarHBondContact O-N 3.22Å; A398-R402 WeakPolarHBondContact O-CB 3.42Å; A398-R402 VanDerWaalsContact O-CG 3.3Å; A398-R402 WeakPolarHBondContact O-CG 3.47Å; A398-R402 PolarHBondContact O-N 2.87Å
399	L	97.6	Very high	95.8	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-79.5	-44.2	170.2	-67.2	176.8	0	0	0	111.5	P362 W365 I366 A389 V390 C393 T396 V397 R402 Y403	P362-L399 HydrophobicContact CB-CD1 4.3Å; W365-L399 HydrophobicContact CB-CD2 3.98Å; I366-L399 HydrophobicContact CD1-CD2 4.41Å; I366-L399 HydrophobicContact CG1-CD2 3.63Å; A389-L399 HydrophobicContact CB-CD1 4.24Å; A389-L399 HydrophobicContact CB-CD2 4.07Å; V390-L399 HydrophobicContact CG1-CB 3.91Å; C393-L399 HydrophobicContact CB-CD1 3.5Å; T396-L399 HydrophobicContact CG2-CD1 4.45Å; T396-L399 HydrophobicContact CG2-CG 4.17Å; T396-L399 WeakPolarHBondContact O-CB 3.35Å; T396-L399 PolarHBondContact O-N 3.4Å; V397-L399 PolarHBondContact O-N 3.27Å; L399-R402 PolarHBondContact O-N 2.72Å; L399-Y403 WeakPolarHBondContact O-CB 3.45Å; L399-Y403 PolarHBondContact O-N 3.35Å
400	W	98.1	Very high	95.8	Very high	19 Å²	19	31.9 Å²	31.9	7%	0.072	15%	0.145	C	C	.	.	H	α-helix	trans	-64.4	-46.2	174.5	-64	98.4	0	0	0	111.8	V390 P394 V397 R402 Y403 L404 T420 K423 A424 A427 F429 I438	V390-W400 HydrophobicContact CB-CD2 3.9Å; V390-W400 HydrophobicContact CB-CE3 4.05Å; V390-W400 HydrophobicContact CB-CH2 3.99Å; V390-W400 HydrophobicContact CB-CZ2 3.83Å; V390-W400 HydrophobicContact CB-CZ3 4.1Å; V390-W400 HydrophobicContact CG1-CD2 3.66Å; V390-W400 HydrophobicContact CG1-CE3 3.92Å; V390-W400 HydrophobicContact CG1-CG 3.93Å; V390-W400 HydrophobicContact CG1-CZ3 4.46Å; V390-W400 HydrophobicContact CG2-CE3 4.22Å; V390-W400 HydrophobicContact CG2-CH2 4.01Å; V390-W400 HydrophobicContact CG2-CZ2 4.36Å; V390-W400 HydrophobicContact CG2-CZ3 3.94Å; P394-W400 HydrophobicContact CB-CZ2 4.35Å; P394-W400 PolarHBondContact O-NE1 2.84Å; V397-W400 WeakPolarHBondContact O-CA 3.47Å; V397-W400 WeakPolarHBondContact O-CB 3.44Å; V397-W400 PolarHBondContact O-N 2.88Å; W400-R402 VanDerWaalsContact C-N 3.29Å; W400-R402 PolarHBondContact O-N 2.93Å; W400-Y403 PolarHBondContact O-N 3.22Å; W400-Y403 VanDerWaalsContact O-N 3.09Å; W400-L404 WeakPolarHBondContact O-CG 3.29Å; W400-L404 PolarHBondContact O-N 2.92Å; W400-T420 HydrophobicContact CE3-CG2 4.24Å; W400-T420 HydrophobicContact CZ3-CG2 4.22Å; W400-K423 HydrophobicContact CH2-CB 3.96Å; W400-K423 HydrophobicContact CZ3-CB 3.93Å; W400-A424 HydrophobicContact CB-CB 3.86Å; W400-A424 HydrophobicContact CD2-CB 3.57Å; W400-A424 HydrophobicContact CE3-CB 3.54Å; W400-A424 HydrophobicContact CG-CB 3.75Å; W400-A424 HydrophobicContact CZ3-CB 4.25Å; W400-A427 HydrophobicContact CZ2-CB 3.71Å; W400-F429 AromaticContact CD1-CE1 3.71Å; W400-F429 AromaticContact CD1-CZ 3.79Å; W400-F429 HydrophobicContact CG-CZ 4.41Å; W400-F429 AromaticContact NE1-CE1 3.96Å; W400-I438 HydrophobicContact CB-CD1 3.71Å
401	S	97.9	Very high	95.8	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.063	17%	0.173	C	C	.	.	H	α-helix	trans	-56.2	-42.8	174.1	-59.9	0	0	0	0	111.6	V397 L405 E437	V397-S401 PolarHBondContact O-N 2.82Å; V397-S401 PolarHBondContact O-OG 3.33Å; S401-L405 WeakPolarHBondContact O-CD1 3.43Å; S401-L405 VanDerWaalsContact O-CG 3.24Å; S401-L405 WeakPolarHBondContact O-CG 3.49Å; S401-L405 PolarHBondContact O-N 2.75Å; S401-E437 VanDerWaalsContact CB-OE1 3.25Å; S401-E437 WeakPolarHBondContact CB-OE1 3.49Å; S401-E437 PolarHBondContact OG-OE1 2.97Å
402	R	97.9	Very high	96.1	Very high	62 Å²	62	33.4 Å²	33.4	23%	0.234	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-44.2	172.8	-86.3	180	163.4	80.9	-2.3	112.5	A398 L399 W400 L405 A406	A398-R402 WeakPolarHBondContact O-CB 3.42Å; A398-R402 VanDerWaalsContact O-CG 3.3Å; A398-R402 WeakPolarHBondContact O-CG 3.47Å; A398-R402 PolarHBondContact O-N 2.87Å; L399-R402 PolarHBondContact O-N 2.72Å; W400-R402 VanDerWaalsContact C-N 3.29Å; W400-R402 PolarHBondContact O-N 2.93Å; R402-L405 PolarHBondContact O-N 3.35Å; R402-A406 WeakPolarHBondContact O-CB 3.4Å; R402-A406 PolarHBondContact O-N 3.03Å
403	Y	98.2	Very high	96.4	Very high	21 Å²	21	37.8 Å²	37.8	8%	0.082	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-46.5	-177.9	-174.8	-157.3	0	0	0	111.8	L383 H386 N387 V390 L399 W400 L405 A406 M407 T420	L383-Y403 HydrophobicContact CD2-CE2 4.31Å; H386-Y403 HydrophobicContact CB-CD2 3.37Å; H386-Y403 HydrophobicContact CB-CE2 4.03Å; H386-Y403 HydrophobicContact CB-CG 3.81Å; N387-Y403 HydrophobicContact CB-CE1 4.39Å; N387-Y403 PolarHBondContact ND2-OH 3.03Å; V390-Y403 HydrophobicContact CG1-CD1 4.22Å; V390-Y403 HydrophobicContact CG2-CD1 3.89Å; V390-Y403 HydrophobicContact CG2-CE1 4.06Å; L399-Y403 WeakPolarHBondContact O-CB 3.45Å; L399-Y403 PolarHBondContact O-N 3.35Å; W400-Y403 PolarHBondContact O-N 3.22Å; W400-Y403 VanDerWaalsContact O-N 3.09Å; Y403-L405 VanDerWaalsContact C-N 3.32Å; Y403-L405 PolarHBondContact O-N 3.16Å; Y403-A406 PolarHBondContact O-N 3.03Å; Y403-A406 VanDerWaalsContact O-N 3.11Å; Y403-M407 HydrophobicContact CD1-SD 4.35Å; Y403-M407 HydrophobicContact CD2-CG 3.78Å; Y403-M407 HydrophobicContact CD2-SD 3.87Å; Y403-M407 HydrophobicContact CE1-SD 4.16Å; Y403-M407 HydrophobicContact CE2-CG 3.66Å; Y403-M407 HydrophobicContact CE2-SD 3.67Å; Y403-M407 HydrophobicContact CG-SD 4.22Å; Y403-M407 VanDerWaalsContact O-CG 3.28Å; Y403-M407 WeakPolarHBondContact O-CG 3.36Å; Y403-M407 PolarHBondContact O-N 3.4Å; Y403-T420 HydrophobicContact CD1-CG2 3.63Å; Y403-T420 HydrophobicContact CE1-CG2 3.63Å
404	L	98.1	Very high	96.7	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-43.9	174.6	-66.7	174.7	0	0	0	111.5	W400 A406 M407 E408 I417 T420 F421 I438	W400-L404 WeakPolarHBondContact O-CG 3.29Å; W400-L404 PolarHBondContact O-N 2.92Å; L404-A406 PolarHBondContact O-N 2.91Å; L404-M407 PolarHBondContact O-N 3.39Å; L404-E408 WeakPolarHBondContact O-CB 3.49Å; L404-E408 PolarHBondContact O-N 3.38Å; L404-I417 HydrophobicContact CD2-CG2 3.95Å; L404-T420 HydrophobicContact CD2-CG2 3.87Å; L404-F421 HydrophobicContact CD1-CB 4.39Å; L404-F421 HydrophobicContact CD1-CD2 4.27Å; L404-F421 HydrophobicContact CD2-CB 4.24Å; L404-I438 HydrophobicContact CD1-CD1 3.69Å
405	L	97.3	Very high	96.9	Very high	59 Å²	59	44.6 Å²	44.6	31%	0.309	23%	0.225	S	C	.	.	H	α-helix	trans	-66.6	-32.8	175.7	-69.5	169.8	0	0	0	113.1	S401 R402 Y403 R409	S401-L405 WeakPolarHBondContact O-CD1 3.43Å; S401-L405 VanDerWaalsContact O-CG 3.24Å; S401-L405 WeakPolarHBondContact O-CG 3.49Å; S401-L405 PolarHBondContact O-N 2.75Å; R402-L405 PolarHBondContact O-N 3.35Å; Y403-L405 VanDerWaalsContact C-N 3.32Å; Y403-L405 PolarHBondContact O-N 3.16Å; L405-R409 WeakPolarHBondContact O-CB 3.47Å; L405-R409 VanDerWaalsContact O-CG 3.25Å; L405-R409 WeakPolarHBondContact O-CG 3.37Å; L405-R409 PolarHBondContact O-N 3.43Å; L405-R409 PolarHBondContact O-NE 3Å
406	A	97.2	Very high	97.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-71.4	-41.4	174.6	0	0	0	0	0	111.7	V382 L383 R402 Y403 L404 R409 H410	V382-A406 HydrophobicContact CG1-CB 4.16Å; L383-A406 HydrophobicContact CD2-CB 4.26Å; R402-A406 WeakPolarHBondContact O-CB 3.4Å; R402-A406 PolarHBondContact O-N 3.03Å; Y403-A406 PolarHBondContact O-N 3.03Å; Y403-A406 VanDerWaalsContact O-N 3.11Å; L404-A406 PolarHBondContact O-N 2.91Å; A406-R409 PolarHBondContact O-N 3.07Å; A406-H410 WeakPolarHBondContact O-CB 3.39Å; A406-H410 PolarHBondContact O-CD2 3.15Å; A406-H410 VanDerWaalsContact O-CD2 3.29Å; A406-H410 PolarHBondContact O-N 3.48Å
407	M	97.6	Very high	97.4	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-44.7	173.5	-68.5	171.7	78.3	0	0	111.5	L383 Y403 L404 H410 G411 V412 V416 I417 T420	L383-M407 HydrophobicContact CD2-CB 4.39Å; L383-M407 HydrophobicContact CD2-CG 3.81Å; Y403-M407 HydrophobicContact CD1-SD 4.35Å; Y403-M407 HydrophobicContact CD2-CG 3.78Å; Y403-M407 HydrophobicContact CD2-SD 3.87Å; Y403-M407 HydrophobicContact CE1-SD 4.16Å; Y403-M407 HydrophobicContact CE2-CG 3.66Å; Y403-M407 HydrophobicContact CE2-SD 3.67Å; Y403-M407 HydrophobicContact CG-SD 4.22Å; Y403-M407 VanDerWaalsContact O-CG 3.28Å; Y403-M407 WeakPolarHBondContact O-CG 3.36Å; Y403-M407 PolarHBondContact O-N 3.4Å; L404-M407 PolarHBondContact O-N 3.39Å; M407-H410 PolarHBondContact O-N 3.33Å; M407-G411 PolarHBondContact O-N 2.92Å; M407-V412 HydrophobicContact CB-CB 3.96Å; M407-V412 HydrophobicContact CB-CG1 4.47Å; M407-V412 HydrophobicContact CB-CG2 3.98Å; M407-V412 HydrophobicContact CE-CB 4.5Å; M407-V412 HydrophobicContact CE-CG1 3.76Å; M407-V412 HydrophobicContact CG-CG2 4.27Å; M407-V412 WeakPolarHBondContact O-CB 3.21Å; M407-V412 WeakPolarHBondContact O-CG2 3.48Å; M407-V412 PolarHBondContact O-N 2.91Å; M407-V416 HydrophobicContact CE-CB 4.37Å; M407-V416 HydrophobicContact CE-CG1 3.77Å; M407-I417 HydrophobicContact CB-CD1 4.11Å; M407-I417 HydrophobicContact CB-CG1 3.82Å; M407-I417 HydrophobicContact CE-CB 4.4Å; M407-I417 HydrophobicContact CE-CG1 3.8Å; M407-I417 HydrophobicContact SD-CG1 4.48Å; M407-T420 HydrophobicContact SD-CG2 3.85Å
408	E	97.3	Very high	97.4	Very high	47 Å²	47	41.8 Å²	41.8	22%	0.22	22%	0.22	C	C	.	.	H	α-helix	trans	-59.6	-52.1	173.9	-178.8	179.7	-170.5	0	0	111.6	L404 H410 G411 Y445 R448	L404-E408 WeakPolarHBondContact O-CB 3.49Å; L404-E408 PolarHBondContact O-N 3.38Å; E408-H410 PolarHBondContact O-N 3.11Å; E408-G411 PolarHBondContact O-N 3.31Å; E408-Y445 HydrophobicContact CB-CD2 4.12Å; E408-Y445 HydrophobicContact CG-CD2 3.92Å; E408-Y445 HydrophobicContact CG-CE2 4.42Å; E408-R448 VanDerWaalsContact CD-NE 3.3Å; E408-R448 WeakPolarHBondContact OE1-CB 3.3Å; E408-R448 WeakPolarHBondContact OE1-CD 3.14Å; E408-R448 IonicContact OE1-CZ 2.66Å; E408-R448 IonicContact OE1-NE 2.72Å; E408-R448 PolarHBondContact OE1-NE 3.49Å; E408-R448 IonicContact OE1-NH2 3.3Å; E408-R448 IonicContact OE2-CZ 3.16Å; E408-R448 IonicContact OE2-NE 3.01Å; E408-R448 PolarHBondContact OE2-NE 3Å; E408-R448 VanDerWaalsContact OE2-NE 3.15Å; E408-R448 IonicContact OE2-NH2 2.87Å; E408-R448 PolarHBondContact OE2-NH2 3.18Å
409	R	95.9	Very high	97.4	Very high	133 Å²	133	43.8 Å²	43.8	50%	0.502	23%	0.229	S	C	.	.	H	α-helix	trans	-59.6	-28.2	179.9	-79.1	-178.8	-105.7	119.3	-15.1	113.8	D373 L405 A406	D373-R409 IonicContact OD1-NH1 3.6Å; D373-R409 PolarHBondContact OD1-NH1 3.09Å; D373-R409 IonicContact OD2-CZ 2.73Å; D373-R409 IonicContact OD2-NH1 3.66Å; D373-R409 PolarHBondContact OD2-NH1 3.4Å; D373-R409 IonicContact OD2-NH2 3.65Å; D373-R409 PolarHBondContact OD2-NH2 3.2Å; L405-R409 WeakPolarHBondContact O-CB 3.47Å; L405-R409 VanDerWaalsContact O-CG 3.25Å; L405-R409 WeakPolarHBondContact O-CG 3.37Å; L405-R409 PolarHBondContact O-N 3.43Å; L405-R409 PolarHBondContact O-NE 3Å; A406-R409 PolarHBondContact O-N 3.07Å
410	H	96.5	Very high	97.4	Very high	39 Å²	39	44.3 Å²	44.3	18%	0.181	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	8.7	178.3	-76.4	-58.1	0	0	0	114.4	K377 K379 L383 A406 M407 E408 V412	K377-H410 PolarHBondContact O-CE1 3.28Å; K379-H410 HydrophobicContact CD-CB 3.97Å; K379-H410 WeakPolarHBondContact CE-O 3.4Å; K379-H410 HydrophobicContact CG-CB 3.87Å; K379-H410 PolarHBondContact NZ-O 2.81Å; L383-H410 HydrophobicContact CD1-CB 4.25Å; A406-H410 WeakPolarHBondContact O-CB 3.39Å; A406-H410 PolarHBondContact O-CD2 3.15Å; A406-H410 VanDerWaalsContact O-CD2 3.29Å; A406-H410 PolarHBondContact O-N 3.48Å; M407-H410 PolarHBondContact O-N 3.33Å; E408-H410 PolarHBondContact O-N 3.11Å; H410-V412 PolarHBondContact O-N 3.3Å
411	G	96.3	Very high	97.4	Very high	60 Å²	60	43.4 Å²	43.4	62%	0.619	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	48.4	178.5	0	0	0	0	0	112	M407 E408	M407-G411 PolarHBondContact O-N 2.92Å; E408-G411 PolarHBondContact O-N 3.31Å
412	V	97.6	Very high	97.3	Very high	29 Å²	29	46 Å²	46	18%	0.176	24%	0.24	C	C	.	.			trans	-74.9	147.1	169.2	178	0	0	0	0	109	L383 M407 H410 V416 I417	L383-V412 HydrophobicContact CD1-CG2 3.57Å; L383-V412 HydrophobicContact CD2-CG2 4.38Å; M407-V412 HydrophobicContact CB-CB 3.96Å; M407-V412 HydrophobicContact CB-CG1 4.47Å; M407-V412 HydrophobicContact CB-CG2 3.98Å; M407-V412 HydrophobicContact CE-CB 4.5Å; M407-V412 HydrophobicContact CE-CG1 3.76Å; M407-V412 HydrophobicContact CG-CG2 4.27Å; M407-V412 WeakPolarHBondContact O-CB 3.21Å; M407-V412 WeakPolarHBondContact O-CG2 3.48Å; M407-V412 PolarHBondContact O-N 2.91Å; H410-V412 PolarHBondContact O-N 3.3Å; V412-V416 HydrophobicContact CG1-CB 3.94Å; V412-V416 HydrophobicContact CG1-CG1 4.03Å; V412-I417 HydrophobicContact CB-CD1 4.29Å; V412-I417 HydrophobicContact CB-CG1 4.27Å; V412-I417 HydrophobicContact CG1-CG1 4.26Å; V412-I417 WeakPolarHBondContact O-CD1 3.42Å
413	D	97.8	Very high	97.1	Very high	100 Å²	100	49.2 Å²	49.2	54%	0.535	26%	0.256	S	S	.	.			trans	-58.1	147.3	-178.7	175.5	-103.9	0	0	0	113.1	Q415 V416 I417	D413-Q415 PolarHBondContact O-N 3.42Å; D413-Q415 WeakPolarHBondContact OD1-CB 3.33Å; D413-Q415 PolarHBondContact OD1-N 3.46Å; D413-V416 HydrophobicContact CB-CG2 4.19Å; D413-V416 PolarHBondContact O-N 2.97Å; D413-I417 PolarHBondContact O-N 3.27Å; D413-I417 VanDerWaalsContact O-N 3.09Å
414	H	96.9	Very high	97	Very high	51 Å²	51	48.2 Å²	48.2	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-42.6	-177.5	174.1	53	0	0	0	112.9	V416 I417 S418 Y445 R449	H414-V416 VanDerWaalsContact C-N 3.27Å; H414-V416 PolarHBondContact O-N 2.71Å; H414-I417 PolarHBondContact O-N 2.88Å; H414-S418 PolarHBondContact CE1-OG 3.13Å; H414-S418 WeakPolarHBondContact O-CB 3.35Å; H414-S418 PolarHBondContact O-N 3.42Å; H414-S418 PolarHBondContact O-OG 3.47Å; H414-S418 VanDerWaalsContact O-OG 3.05Å; H414-Y445 WeakPolarHBondContact CA-OH 3.41Å; H414-Y445 AromaticContact ND1-CE1 3.87Å; H414-Y445 AromaticContact ND1-CZ 3.8Å; H414-Y445 PolarHBondContact ND1-OH 2.95Å; H414-R449 PolarHBondContact CE1-NH1 2.9Å
415	Q	97.1	Very high	96.8	Very high	125 Å²	125	48.3 Å²	48.3	58%	0.584	25%	0.253	S	S	*	.	H	α-helix	trans	-64	-37.6	-178.4	-168.8	63.7	26.4	0	0	110.9	D413 S418 V419	D413-Q415 PolarHBondContact O-N 3.42Å; D413-Q415 WeakPolarHBondContact OD1-CB 3.33Å; D413-Q415 PolarHBondContact OD1-N 3.46Å; Q415-S418 PolarHBondContact O-N 2.91Å; Q415-V419 WeakPolarHBondContact O-CB 3.41Å; Q415-V419 VanDerWaalsContact O-CG2 3.3Å; Q415-V419 WeakPolarHBondContact O-CG2 3.29Å; Q415-V419 PolarHBondContact O-N 2.93Å
416	V	97.6	Very high	96.5	Very high	74 Å²	74	50.7 Å²	50.7	45%	0.448	27%	0.266	S	S	.	.	H	α-helix	trans	-69.7	-40.7	178.1	-171.7	0	0	0	0	111.1	M407 V412 D413 H414 V419 T420	M407-V416 HydrophobicContact CE-CB 4.37Å; M407-V416 HydrophobicContact CE-CG1 3.77Å; V412-V416 HydrophobicContact CG1-CB 3.94Å; V412-V416 HydrophobicContact CG1-CG1 4.03Å; D413-V416 HydrophobicContact CB-CG2 4.19Å; D413-V416 PolarHBondContact O-N 2.97Å; H414-V416 VanDerWaalsContact C-N 3.27Å; H414-V416 PolarHBondContact O-N 2.71Å; V416-V419 PolarHBondContact O-N 2.89Å; V416-T420 PolarHBondContact O-N 3.45Å; V416-T420 PolarHBondContact O-OG1 3.4Å
417	I	98	Very high	96.1	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-45.3	174.5	-65.4	172.4	0	0	0	110.8	L404 M407 V412 D413 H414 T420 F421 Y445	L404-I417 HydrophobicContact CD2-CG2 3.95Å; M407-I417 HydrophobicContact CB-CD1 4.11Å; M407-I417 HydrophobicContact CB-CG1 3.82Å; M407-I417 HydrophobicContact CE-CB 4.4Å; M407-I417 HydrophobicContact CE-CG1 3.8Å; M407-I417 HydrophobicContact SD-CG1 4.48Å; V412-I417 HydrophobicContact CB-CD1 4.29Å; V412-I417 HydrophobicContact CB-CG1 4.27Å; V412-I417 HydrophobicContact CG1-CG1 4.26Å; V412-I417 WeakPolarHBondContact O-CD1 3.42Å; D413-I417 PolarHBondContact O-N 3.27Å; D413-I417 VanDerWaalsContact O-N 3.09Å; H414-I417 PolarHBondContact O-N 2.88Å; I417-T420 PolarHBondContact O-N 2.94Å; I417-F421 PolarHBondContact O-N 3.06Å; I417-Y445 HydrophobicContact CB-CE1 4.26Å; I417-Y445 HydrophobicContact CD1-CE2 3.62Å; I417-Y445 HydrophobicContact CG2-CD1 3.97Å; I417-Y445 HydrophobicContact CG2-CD2 4.46Å; I417-Y445 HydrophobicContact CG2-CE1 3.54Å; I417-Y445 HydrophobicContact CG2-CE2 4.07Å; I417-Y445 HydrophobicContact CG2-CG 4.4Å
418	S	97.6	Very high	95.6	Very high	14 Å²	14	53 Å²	53	10%	0.098	29%	0.289	C	S	.	.	H	α-helix	trans	-61.1	-45.5	177.1	-61.1	0	0	0	0	112	H414 Q415 T420 F421 E422 Y442	H414-S418 PolarHBondContact CE1-OG 3.13Å; H414-S418 WeakPolarHBondContact O-CB 3.35Å; H414-S418 PolarHBondContact O-N 3.42Å; H414-S418 PolarHBondContact O-OG 3.47Å; H414-S418 VanDerWaalsContact O-OG 3.05Å; Q415-S418 PolarHBondContact O-N 2.91Å; S418-T420 VanDerWaalsContact C-N 3.34Å; S418-T420 PolarHBondContact O-N 2.98Å; S418-F421 WeakPolarHBondContact O-CB 3.3Å; S418-F421 PolarHBondContact O-N 3.43Å; S418-F421 VanDerWaalsContact O-N 3.13Å; S418-E422 WeakPolarHBondContact O-CG 3.45Å; S418-E422 PolarHBondContact O-N 3.07Å; S418-Y442 PolarHBondContact OG-OH 2.89Å; S418-Y442 VanDerWaalsContact OG-OH 3.07Å
419	V	97.5	Very high	95.3	Very high	68 Å²	68	50.8 Å²	50.8	41%	0.412	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-38.3	175.4	168.6	0	0	0	0	112	Q415 V416 F421 E422 K423	Q415-V419 WeakPolarHBondContact O-CB 3.41Å; Q415-V419 VanDerWaalsContact O-CG2 3.3Å; Q415-V419 WeakPolarHBondContact O-CG2 3.29Å; Q415-V419 PolarHBondContact O-N 2.93Å; V416-V419 PolarHBondContact O-N 2.89Å; V419-F421 VanDerWaalsContact C-N 3.34Å; V419-E422 PolarHBondContact O-N 3.42Å; V419-K423 WeakPolarHBondContact O-CG 3.5Å; V419-K423 PolarHBondContact O-N 3.25Å
420	T	97.3	Very high	95	Very high	13 Å²	13	50.2 Å²	50.2	8%	0.08	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-34.6	173.6	-67.1	0	0	0	0	112.3	W400 Y403 L404 M407 V416 I417 S418 K423 A424	W400-T420 HydrophobicContact CE3-CG2 4.24Å; W400-T420 HydrophobicContact CZ3-CG2 4.22Å; Y403-T420 HydrophobicContact CD1-CG2 3.63Å; Y403-T420 HydrophobicContact CE1-CG2 3.63Å; L404-T420 HydrophobicContact CD2-CG2 3.87Å; M407-T420 HydrophobicContact SD-CG2 3.85Å; V416-T420 PolarHBondContact O-N 3.45Å; V416-T420 PolarHBondContact O-OG1 3.4Å; I417-T420 PolarHBondContact O-N 2.94Å; S418-T420 VanDerWaalsContact C-N 3.34Å; S418-T420 PolarHBondContact O-N 2.98Å; T420-K423 PolarHBondContact O-N 3.49Å; T420-A424 PolarHBondContact O-N 2.92Å
421	F	98.2	Very high	94.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.6	-43.7	173.4	168.8	-102.9	0	0	0	112.4	L404 I417 S418 V419 K423 A424 L425 I438 W439 Y442	L404-F421 HydrophobicContact CD1-CB 4.39Å; L404-F421 HydrophobicContact CD1-CD2 4.27Å; L404-F421 HydrophobicContact CD2-CB 4.24Å; I417-F421 PolarHBondContact O-N 3.06Å; S418-F421 WeakPolarHBondContact O-CB 3.3Å; S418-F421 PolarHBondContact O-N 3.43Å; S418-F421 VanDerWaalsContact O-N 3.13Å; V419-F421 VanDerWaalsContact C-N 3.34Å; F421-K423 VanDerWaalsContact C-N 3.27Å; F421-K423 PolarHBondContact O-N 3.08Å; F421-A424 WeakPolarHBondContact O-CA 3.46Å; F421-A424 WeakPolarHBondContact O-CB 3.28Å; F421-A424 PolarHBondContact O-N 2.91Å; F421-L425 HydrophobicContact CD1-CD1 4.47Å; F421-L425 HydrophobicContact CE1-CD1 3.64Å; F421-L425 HydrophobicContact CE1-CG 4.1Å; F421-L425 HydrophobicContact CE2-CD1 4.45Å; F421-L425 HydrophobicContact CE2-CD2 4.09Å; F421-L425 HydrophobicContact CE2-CG 4.09Å; F421-L425 HydrophobicContact CZ-CD1 3.63Å; F421-L425 HydrophobicContact CZ-CD2 3.87Å; F421-L425 HydrophobicContact CZ-CG 3.74Å; F421-L425 PolarHBondContact O-N 3.27Å; F421-I438 HydrophobicContact CD2-CG1 4.12Å; F421-I438 HydrophobicContact CE2-CG1 4.09Å; F421-I438 HydrophobicContact CE2-CG2 4.5Å; F421-W439 HydrophobicContact CE1-CE3 4.24Å; F421-W439 AromaticContact CE1-CH2 3.84Å; F421-W439 HydrophobicContact CE1-CH2 3.84Å; F421-W439 HydrophobicContact CE1-CZ2 4.39Å; F421-W439 AromaticContact CE1-CZ3 3.77Å; F421-W439 HydrophobicContact CE1-CZ3 3.77Å; F421-W439 HydrophobicContact CE2-CD2 4.44Å; F421-W439 HydrophobicContact CE2-CE3 4.32Å; F421-W439 AromaticContact CZ-CD2 3.76Å; F421-W439 HydrophobicContact CZ-CD2 3.76Å; F421-W439 AromaticContact CZ-CE2 3.98Å; F421-W439 AromaticContact CZ-CE3 3.49Å; F421-W439 HydrophobicContact CZ-CE3 3.49Å; F421-W439 VanDerWaalsContact CZ-CE3 3.49Å; F421-W439 AromaticContact CZ-CH2 3.73Å; F421-W439 HydrophobicContact CZ-CH2 3.73Å; F421-W439 AromaticContact CZ-CZ2 3.98Å; F421-W439 HydrophobicContact CZ-CZ2 3.98Å; F421-W439 AromaticContact CZ-CZ3 3.49Å; F421-W439 HydrophobicContact CZ-CZ3 3.49Å; F421-W439 VanDerWaalsContact CZ-CZ3 3.49Å; F421-Y442 HydrophobicContact CB-CD2 3.7Å; F421-Y442 HydrophobicContact CB-CE2 3.9Å; F421-Y442 HydrophobicContact CB-CG 4.11Å; F421-Y442 AromaticContact CD1-CD1 3.55Å; F421-Y442 HydrophobicContact CD1-CD1 3.55Å; F421-Y442 HydrophobicContact CD1-CD2 4.11Å; F421-Y442 AromaticContact CD1-CE1 3.61Å; F421-Y442 HydrophobicContact CD1-CE1 3.61Å; F421-Y442 HydrophobicContact CD1-CE2 4.17Å; F421-Y442 AromaticContact CD1-CG 3.81Å; F421-Y442 HydrophobicContact CD1-CG 3.81Å; F421-Y442 AromaticContact CD1-CZ 3.93Å; F421-Y442 AromaticContact CD2-CD1 3.97Å; F421-Y442 HydrophobicContact CD2-CD1 3.97Å; F421-Y442 AromaticContact CD2-CD2 3.98Å; F421-Y442 HydrophobicContact CD2-CD2 3.98Å; F421-Y442 AromaticContact CD2-CG 3.52Å; F421-Y442 HydrophobicContact CD2-CG 3.52Å; F421-Y442 AromaticContact CE1-CD1 3.54Å; F421-Y442 HydrophobicContact CE1-CD1 3.54Å; F421-Y442 AromaticContact CE1-CE1 3.78Å; F421-Y442 HydrophobicContact CE1-CE1 3.78Å; F421-Y442 HydrophobicContact CE1-CG 4.12Å; F421-Y442 AromaticContact CE2-CD1 3.95Å; F421-Y442 HydrophobicContact CE2-CD1 3.95Å; F421-Y442 AromaticContact CE2-CG 3.84Å; F421-Y442 HydrophobicContact CE2-CG 3.84Å; F421-Y442 AromaticContact CG-CD1 3.77Å; F421-Y442 HydrophobicContact CG-CD1 3.77Å; F421-Y442 AromaticContact CG-CD2 3.63Å; F421-Y442 HydrophobicContact CG-CD2 3.63Å; F421-Y442 HydrophobicContact CG-CE1 4.14Å; F421-Y442 HydrophobicContact CG-CE2 4.03Å; F421-Y442 AromaticContact CG-CG 3.5Å; F421-Y442 HydrophobicContact CG-CG 3.5Å; F421-Y442 AromaticContact CZ-CD1 3.74Å; F421-Y442 HydrophobicContact CZ-CD1 3.74Å; F421-Y442 HydrophobicContact CZ-CE1 4.44Å; F421-Y442 HydrophobicContact CZ-CG 4.13Å
422	E	96.5	Very high	94.7	Very high	63 Å²	63	51 Å²	51	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-37.1	174.2	-58.9	-55.4	151.9	0	0	111.4	S418 V419 A424 L425 N426 R469	S418-E422 WeakPolarHBondContact O-CG 3.45Å; S418-E422 PolarHBondContact O-N 3.07Å; V419-E422 PolarHBondContact O-N 3.42Å; E422-A424 VanDerWaalsContact C-N 3.34Å; E422-A424 PolarHBondContact O-N 2.71Å; E422-L425 PolarHBondContact O-N 3.26Å; E422-N426 PolarHBondContact O-N 3.37Å; E422-N426 PolarHBondContact O-ND2 3.4Å; E422-R469 IonicContact OE1-CZ 3.93Å; E422-R469 IonicContact OE1-NH1 2.79Å; E422-R469 PolarHBondContact OE1-NH1 3.02Å; E422-R469 IonicContact OE1-NH2 3.77Å; E422-R469 PolarHBondContact OE1-NH2 3.5Å; E422-R469 IonicContact OE2-CZ 2.68Å; E422-R469 IonicContact OE2-NH1 3.01Å; E422-R469 IonicContact OE2-NH2 3.19Å; E422-R469 PolarHBondContact OE2-NH2 3.28Å
423	K	93.7	Very high	94.6	Very high	129 Å²	129	52.8 Å²	52.8	56%	0.561	28%	0.284	S	S	*	.	H	α-helix	trans	-62.7	-38.7	171.7	-72.3	-177.8	178.5	-165.9	0	112.3	W400 V419 T420 F421 N426 A427	W400-K423 HydrophobicContact CH2-CB 3.96Å; W400-K423 HydrophobicContact CZ3-CB 3.93Å; V419-K423 WeakPolarHBondContact O-CG 3.5Å; V419-K423 PolarHBondContact O-N 3.25Å; T420-K423 PolarHBondContact O-N 3.49Å; F421-K423 VanDerWaalsContact C-N 3.27Å; F421-K423 PolarHBondContact O-N 3.08Å; K423-N426 CarbonylContact O-C 3.56Å; K423-N426 PolarHBondContact O-N 3.15Å; K423-A427 PolarHBondContact O-N 3.45Å; K423-A427 VanDerWaalsContact O-N 3.17Å
424	A	95.7	Very high	94.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-42.2	176.9	0	0	0	0	0	112.5	W400 T420 F421 E422 N426 A427 F429 I438	W400-A424 HydrophobicContact CB-CB 3.86Å; W400-A424 HydrophobicContact CD2-CB 3.57Å; W400-A424 HydrophobicContact CE3-CB 3.54Å; W400-A424 HydrophobicContact CG-CB 3.75Å; W400-A424 HydrophobicContact CZ3-CB 4.25Å; T420-A424 PolarHBondContact O-N 2.92Å; F421-A424 WeakPolarHBondContact O-CA 3.46Å; F421-A424 WeakPolarHBondContact O-CB 3.28Å; F421-A424 PolarHBondContact O-N 2.91Å; E422-A424 VanDerWaalsContact C-N 3.34Å; E422-A424 PolarHBondContact O-N 2.71Å; A424-N426 VanDerWaalsContact C-N 3.27Å; A424-N426 PolarHBondContact O-N 3.35Å; A424-A427 VanDerWaalsContact O-CB 3.27Å; A424-A427 WeakPolarHBondContact O-CB 3.33Å; A424-A427 PolarHBondContact O-N 3.07Å; A424-A427 VanDerWaalsContact O-N 3.15Å; A424-F429 WeakPolarHBondContact O-CE2 3.22Å; A424-F429 WeakPolarHBondContact O-CZ 3.34Å; A424-I438 HydrophobicContact CB-CD1 3.95Å; A424-I438 HydrophobicContact CB-CG1 3.8Å
425	L	93.9	Very high	94.4	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-39.3	174.5	-68.8	-179.5	0	0	0	112.1	F421 E422 A427 Y435 I438 W439 Y473	F421-L425 HydrophobicContact CD1-CD1 4.47Å; F421-L425 HydrophobicContact CE1-CD1 3.64Å; F421-L425 HydrophobicContact CE1-CG 4.1Å; F421-L425 HydrophobicContact CE2-CD1 4.45Å; F421-L425 HydrophobicContact CE2-CD2 4.09Å; F421-L425 HydrophobicContact CE2-CG 4.09Å; F421-L425 HydrophobicContact CZ-CD1 3.63Å; F421-L425 HydrophobicContact CZ-CD2 3.87Å; F421-L425 HydrophobicContact CZ-CG 3.74Å; F421-L425 PolarHBondContact O-N 3.27Å; E422-L425 PolarHBondContact O-N 3.26Å; L425-A427 VanDerWaalsContact C-N 3.26Å; L425-A427 PolarHBondContact O-N 2.89Å; L425-Y435 HydrophobicContact CD2-CD1 4.37Å; L425-I438 HydrophobicContact CD2-CG2 3.92Å; L425-W439 HydrophobicContact CD1-CH2 4.28Å; L425-W439 HydrophobicContact CD1-CZ2 3.75Å; L425-W439 HydrophobicContact CD2-CZ2 4.29Å; L425-Y473 HydrophobicContact CD2-CE1 4.3Å
426	N	90.5	Very high	94.4	Very high	110 Å²	110	41.8 Å²	41.8	59%	0.588	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	1	179.4	-69	-65.1	0	0	0	114.1	E422 K423 A424 G428	E422-N426 PolarHBondContact O-N 3.37Å; E422-N426 PolarHBondContact O-ND2 3.4Å; K423-N426 CarbonylContact O-C 3.56Å; K423-N426 PolarHBondContact O-N 3.15Å; A424-N426 VanDerWaalsContact C-N 3.27Å; A424-N426 PolarHBondContact O-N 3.35Å; N426-G428 VanDerWaalsContact C-N 3.28Å; N426-G428 PolarHBondContact O-N 2.63Å
427	A	88.4	Confident	94.4	Very high	17 Å²	17	42.2 Å²	42.2	14%	0.14	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.4	179.9	0	0	0	0	0	114.4	P394 W400 K423 A424 L425 F429	P394-A427 HydrophobicContact CB-CB 4.26Å; P394-A427 WeakPolarHBondContact O-CB 3.46Å; W400-A427 HydrophobicContact CZ2-CB 3.71Å; K423-A427 PolarHBondContact O-N 3.45Å; K423-A427 VanDerWaalsContact O-N 3.17Å; A424-A427 VanDerWaalsContact O-CB 3.27Å; A424-A427 WeakPolarHBondContact O-CB 3.33Å; A424-A427 PolarHBondContact O-N 3.07Å; A424-A427 VanDerWaalsContact O-N 3.15Å; L425-A427 VanDerWaalsContact C-N 3.26Å; L425-A427 PolarHBondContact O-N 2.89Å; A427-F429 HydrophobicContact CB-CE1 4.12Å; A427-F429 HydrophobicContact CB-CZ 4.19Å
428	G	86.9	Confident	94.4	Very high	35 Å²	35	42.1 Å²	42.1	36%	0.361	23%	0.227	S	C	.	.			trans	76.1	43.7	164.1	0	0	0	0	0	116.4	N426	N426-G428 VanDerWaalsContact C-N 3.28Å; N426-G428 PolarHBondContact O-N 2.63Å
429	F	92	Very high	94.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.			trans	-54.4	162.6	-177	-50.6	-56.4	0	0	0	115.2	P394 V397 W400 A424 A427 D434 Y435 I438 R481	P394-F429 WeakPolarHBondContact O-CE1 3.31Å; V397-F429 HydrophobicContact CB-CD1 4.1Å; V397-F429 HydrophobicContact CB-CE1 3.89Å; V397-F429 HydrophobicContact CB-CE2 4.47Å; V397-F429 HydrophobicContact CB-CG 4.5Å; V397-F429 HydrophobicContact CB-CZ 4.09Å; V397-F429 HydrophobicContact CG2-CE1 4.49Å; V397-F429 HydrophobicContact CG2-CE2 4.37Å; V397-F429 HydrophobicContact CG2-CZ 4.19Å; W400-F429 AromaticContact CD1-CE1 3.71Å; W400-F429 AromaticContact CD1-CZ 3.79Å; W400-F429 HydrophobicContact CG-CZ 4.41Å; W400-F429 AromaticContact NE1-CE1 3.96Å; A424-F429 WeakPolarHBondContact O-CE2 3.22Å; A424-F429 WeakPolarHBondContact O-CZ 3.34Å; A427-F429 HydrophobicContact CB-CE1 4.12Å; A427-F429 HydrophobicContact CB-CZ 4.19Å; F429-D434 HydrophobicContact CB-CB 3.5Å; F429-D434 VanDerWaalsContact CB-CB 3.5Å; F429-D434 HydrophobicContact CD2-CB 4.06Å; F429-D434 HydrophobicContact CG-CB 3.78Å; F429-Y435 HydrophobicContact CB-CD2 4.27Å; F429-Y435 HydrophobicContact CB-CE2 3.78Å; F429-Y435 HydrophobicContact CD2-CD1 4.08Å; F429-Y435 HydrophobicContact CD2-CD2 4.26Å; F429-Y435 AromaticContact CD2-CE1 3.9Å; F429-Y435 HydrophobicContact CD2-CE1 3.9Å; F429-Y435 HydrophobicContact CD2-CE2 4.07Å; F429-Y435 HydrophobicContact CD2-CG 4.28Å; F429-Y435 AromaticContact CD2-CZ 3.89Å; F429-Y435 HydrophobicContact CE2-CE1 4.49Å; F429-Y435 HydrophobicContact CG-CE2 4.42Å; F429-Y435 PolarHBondContact N-OH 3.4Å; F429-I438 HydrophobicContact CE2-CB 4.43Å; F429-I438 HydrophobicContact CE2-CG2 4.06Å; F429-R481 VanDerWaalsContact O-CZ 3.27Å; F429-R481 PolarHBondContact O-NH1 3.28Å; F429-R481 PolarHBondContact O-NH2 2.93Å
430	I	89.3	Confident	94.5	Very high	120 Å²	120	41.1 Å²	41.1	62%	0.615	22%	0.216	S	C	*	.	S	Bend	trans	-99.6	-15.1	-170.6	55.1	156.5	0	0	0	114.8	D434 F482	I430-D434 PolarHBondContact N-OD2 3.15Å; I430-F482 WeakPolarHBondContact O-CE1 3.45Å
431	Q	91.9	Very high	94.5	Very high	109 Å²	109	41.3 Å²	41.3	51%	0.509	22%	0.219	S	C	.	.	S	Bend	trans	-125.6	146.1	176.7	-58.1	-179.5	2.9	0	0	111	T433 D434	Q431-T433 WeakPolarHBondContact CB-OG1 3.23Å; Q431-T433 PolarHBondContact O-N 3.5Å; Q431-T433 PolarHBondContact OE1-OG1 3.46Å; Q431-D434 WeakPolarHBondContact CB-OD2 3.3Å; Q431-D434 PolarHBondContact N-OD2 3.33Å; Q431-D434 VanDerWaalsContact O-CB 3.3Å; Q431-D434 WeakPolarHBondContact O-CB 3.47Å; Q431-D434 PolarHBondContact O-N 3.07Å
432	A	93.5	Very high	94.5	Very high	6 Å²	6	42.2 Å²	42.2	5%	0.05	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-29.5	174.6	0	0	0	0	0	112.4	D434 Y435 V436 V478 F482	A432-D434 VanDerWaalsContact C-N 3.29Å; A432-D434 PolarHBondContact O-N 2.96Å; A432-Y435 PolarHBondContact O-N 3.36Å; A432-V436 PolarHBondContact O-N 2.47Å; A432-V478 HydrophobicContact CB-CG1 3.59Å; A432-F482 HydrophobicContact CB-CB 4.17Å; A432-F482 HydrophobicContact CB-CD2 3.97Å; A432-F482 HydrophobicContact CB-CG 4.07Å
433	T	95.9	Very high	94.6	Very high	68 Å²	68	39.4 Å²	39.4	42%	0.417	21%	0.21	S	C	.	.	H	α-helix	trans	-63.5	-30.1	173.4	43.2	0	0	0	0	113.6	Q431 Y435 V436 E437	Q431-T433 WeakPolarHBondContact CB-OG1 3.23Å; Q431-T433 PolarHBondContact O-N 3.5Å; Q431-T433 PolarHBondContact OE1-OG1 3.46Å; T433-Y435 VanDerWaalsContact C-N 3.35Å; T433-V436 WeakPolarHBondContact O-CB 3.21Å; T433-V436 PolarHBondContact O-N 3.1Å; T433-E437 PolarHBondContact O-N 3.16Å
434	D	95.6	Very high	94.8	Very high	22 Å²	22	36.5 Å²	36.5	12%	0.118	20%	0.2	C	C	.	.	H	α-helix	trans	-65.8	-42.5	179.5	-55.8	-27.5	0	0	0	110.2	V397 F429 I430 Q431 A432 V436 E437 I438	V397-D434 HydrophobicContact CB-CB 4.06Å; V397-D434 HydrophobicContact CG1-CB 3.87Å; V397-D434 WeakPolarHBondContact CG2-O 3.38Å; F429-D434 HydrophobicContact CB-CB 3.5Å; F429-D434 VanDerWaalsContact CB-CB 3.5Å; F429-D434 HydrophobicContact CD2-CB 4.06Å; F429-D434 HydrophobicContact CG-CB 3.78Å; I430-D434 PolarHBondContact N-OD2 3.15Å; Q431-D434 WeakPolarHBondContact CB-OD2 3.3Å; Q431-D434 PolarHBondContact N-OD2 3.33Å; Q431-D434 VanDerWaalsContact O-CB 3.3Å; Q431-D434 WeakPolarHBondContact O-CB 3.47Å; Q431-D434 PolarHBondContact O-N 3.07Å; A432-D434 VanDerWaalsContact C-N 3.29Å; A432-D434 PolarHBondContact O-N 2.96Å; D434-V436 VanDerWaalsContact C-N 3.29Å; D434-V436 PolarHBondContact O-N 3.26Å; D434-E437 PolarHBondContact O-N 2.7Å; D434-I438 PolarHBondContact O-N 2.99Å
435	Y	96	Very high	94.9	Very high	12 Å²	12	37.1 Å²	37.1	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-36.2	173.8	-72.9	-81.3	0	0	0	112.2	L425 F429 A432 T433 I438 W439 Y473 V478 R481 F482	L425-Y435 HydrophobicContact CD2-CD1 4.37Å; F429-Y435 HydrophobicContact CB-CD2 4.27Å; F429-Y435 HydrophobicContact CB-CE2 3.78Å; F429-Y435 HydrophobicContact CD2-CD1 4.08Å; F429-Y435 HydrophobicContact CD2-CD2 4.26Å; F429-Y435 AromaticContact CD2-CE1 3.9Å; F429-Y435 HydrophobicContact CD2-CE1 3.9Å; F429-Y435 HydrophobicContact CD2-CE2 4.07Å; F429-Y435 HydrophobicContact CD2-CG 4.28Å; F429-Y435 AromaticContact CD2-CZ 3.89Å; F429-Y435 HydrophobicContact CE2-CE1 4.49Å; F429-Y435 HydrophobicContact CG-CE2 4.42Å; F429-Y435 PolarHBondContact N-OH 3.4Å; A432-Y435 PolarHBondContact O-N 3.36Å; T433-Y435 VanDerWaalsContact C-N 3.35Å; Y435-I438 WeakPolarHBondContact O-CG2 3.33Å; Y435-W439 WeakPolarHBondContact O-CB 3.31Å; Y435-W439 PolarHBondContact O-N 3.11Å; Y435-W439 VanDerWaalsContact O-N 3.12Å; Y435-Y473 AromaticContact CD1-CE1 3.66Å; Y435-Y473 HydrophobicContact CD1-CE1 3.66Å; Y435-Y473 HydrophobicContact CE1-CE1 4.15Å; Y435-Y473 WeakPolarHBondContact CE1-OH 3.49Å; Y435-Y473 HydrophobicContact CG-CE1 4.4Å; Y435-V478 HydrophobicContact CD1-CG2 4.39Å; Y435-V478 HydrophobicContact CD2-CG2 4.31Å; Y435-V478 HydrophobicContact CG-CG2 3.93Å; Y435-R481 PolarHBondContact OH-NH1 2.75Å; Y435-F482 HydrophobicContact CD2-CE2 4.11Å; Y435-F482 AromaticContact CE2-CE2 3.92Å; Y435-F482 HydrophobicContact CE2-CE2 3.92Å; Y435-F482 HydrophobicContact CE2-CZ 4.31Å
436	V	96.7	Very high	95.1	Very high	10 Å²	10	37 Å²	37	6%	0.061	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-39.3	174.2	177.8	0	0	0	0	111.4	A432 T433 D434 Q440 L474 D487 I492	A432-V436 PolarHBondContact O-N 2.47Å; T433-V436 WeakPolarHBondContact O-CB 3.21Å; T433-V436 PolarHBondContact O-N 3.1Å; D434-V436 VanDerWaalsContact C-N 3.29Å; D434-V436 PolarHBondContact O-N 3.26Å; V436-Q440 VanDerWaalsContact CG1-NE2 3.32Å; V436-Q440 WeakPolarHBondContact O-CB 3.3Å; V436-Q440 VanDerWaalsContact O-CG 3.29Å; V436-Q440 WeakPolarHBondContact O-CG 3.46Å; V436-Q440 PolarHBondContact O-N 3.34Å; V436-L474 HydrophobicContact CG2-CD1 4.14Å; V436-L474 HydrophobicContact CG2-CD2 3.72Å; V436-D487 HydrophobicContact CG1-CB 4.1Å; V436-D487 HydrophobicContact CG2-CB 3.89Å; V436-I492 HydrophobicContact CG1-CD1 4.3Å; V436-I492 HydrophobicContact CG1-CG1 4.36Å
437	E	97.8	Very high	95.5	Very high	84 Å²	84	35 Å²	35	39%	0.393	19%	0.186	S	C	.	.	H	α-helix	trans	-62.4	-50.8	176.4	-168.3	-167.7	114.5	0	0	111.5	V397 S401 T433 D434 W439 Q440 A441	V397-E437 HydrophobicContact CG2-CB 4.14Å; V397-E437 HydrophobicContact CG2-CG 4.47Å; S401-E437 VanDerWaalsContact CB-OE1 3.25Å; S401-E437 WeakPolarHBondContact CB-OE1 3.49Å; S401-E437 PolarHBondContact OG-OE1 2.97Å; T433-E437 PolarHBondContact O-N 3.16Å; D434-E437 PolarHBondContact O-N 2.7Å; E437-W439 PolarHBondContact O-N 2.82Å; E437-Q440 PolarHBondContact O-N 3.45Å; E437-A441 PolarHBondContact O-N 3.09Å
438	I	98.1	Very high	95.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-37.7	-176.7	-162.5	63.4	0	0	0	112.1	V397 W400 L404 F421 A424 L425 F429 D434 Y435 A441 Y442	V397-I438 HydrophobicContact CG2-CB 3.85Å; V397-I438 HydrophobicContact CG2-CD1 4.4Å; W400-I438 HydrophobicContact CB-CD1 3.71Å; L404-I438 HydrophobicContact CD1-CD1 3.69Å; F421-I438 HydrophobicContact CD2-CG1 4.12Å; F421-I438 HydrophobicContact CE2-CG1 4.09Å; F421-I438 HydrophobicContact CE2-CG2 4.5Å; A424-I438 HydrophobicContact CB-CD1 3.95Å; A424-I438 HydrophobicContact CB-CG1 3.8Å; L425-I438 HydrophobicContact CD2-CG2 3.92Å; F429-I438 HydrophobicContact CE2-CB 4.43Å; F429-I438 HydrophobicContact CE2-CG2 4.06Å; D434-I438 PolarHBondContact O-N 2.99Å; Y435-I438 WeakPolarHBondContact O-CG2 3.33Å; I438-A441 PolarHBondContact O-N 3.4Å; I438-Y442 PolarHBondContact O-N 2.97Å; I438-Y442 VanDerWaalsContact O-N 3.07Å
439	W	98.1	Very high	96.3	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-44.2	172.1	-87	115.3	0	0	0	111.2	F421 L425 Y435 E437 Y442 L443 R469 A470 Y473 I492	F421-W439 HydrophobicContact CE1-CE3 4.24Å; F421-W439 AromaticContact CE1-CH2 3.84Å; F421-W439 HydrophobicContact CE1-CH2 3.84Å; F421-W439 HydrophobicContact CE1-CZ2 4.39Å; F421-W439 AromaticContact CE1-CZ3 3.77Å; F421-W439 HydrophobicContact CE1-CZ3 3.77Å; F421-W439 HydrophobicContact CE2-CD2 4.44Å; F421-W439 HydrophobicContact CE2-CE3 4.32Å; F421-W439 AromaticContact CZ-CD2 3.76Å; F421-W439 HydrophobicContact CZ-CD2 3.76Å; F421-W439 AromaticContact CZ-CE2 3.98Å; F421-W439 AromaticContact CZ-CE3 3.49Å; F421-W439 HydrophobicContact CZ-CE3 3.49Å; F421-W439 VanDerWaalsContact CZ-CE3 3.49Å; F421-W439 AromaticContact CZ-CH2 3.73Å; F421-W439 HydrophobicContact CZ-CH2 3.73Å; F421-W439 AromaticContact CZ-CZ2 3.98Å; F421-W439 HydrophobicContact CZ-CZ2 3.98Å; F421-W439 AromaticContact CZ-CZ3 3.49Å; F421-W439 HydrophobicContact CZ-CZ3 3.49Å; F421-W439 VanDerWaalsContact CZ-CZ3 3.49Å; L425-W439 HydrophobicContact CD1-CH2 4.28Å; L425-W439 HydrophobicContact CD1-CZ2 3.75Å; L425-W439 HydrophobicContact CD2-CZ2 4.29Å; Y435-W439 WeakPolarHBondContact O-CB 3.31Å; Y435-W439 PolarHBondContact O-N 3.11Å; Y435-W439 VanDerWaalsContact O-N 3.12Å; E437-W439 PolarHBondContact O-N 2.82Å; W439-Y442 HydrophobicContact CZ3-CD1 4.47Å; W439-Y442 PolarHBondContact O-N 3.22Å; W439-L443 VanDerWaalsContact O-CB 3.3Å; W439-L443 WeakPolarHBondContact O-CB 3.46Å; W439-L443 WeakPolarHBondContact O-CD1 3.47Å; W439-L443 WeakPolarHBondContact O-CG 3.43Å; W439-L443 PolarHBondContact O-N 2.78Å; W439-R469 HydrophobicContact CH2-CB 4.34Å; W439-R469 HydrophobicContact CH2-CG 3.79Å; W439-R469 HydrophobicContact CZ2-CG 4.36Å; W439-A470 HydrophobicContact CB-CB 4.4Å; W439-A470 HydrophobicContact CD2-CB 3.57Å; W439-A470 HydrophobicContact CE3-CB 3.41Å; W439-A470 VanDerWaalsContact CE3-CB 3.41Å; W439-A470 HydrophobicContact CG-CB 4.02Å; W439-A470 HydrophobicContact CH2-CB 4.49Å; W439-A470 HydrophobicContact CZ3-CB 3.9Å; W439-Y473 HydrophobicContact CZ2-CD1 4.35Å; W439-Y473 HydrophobicContact CZ2-CD2 4.27Å; W439-Y473 AromaticContact CZ2-CG 3.93Å; W439-Y473 HydrophobicContact CZ2-CG 3.93Å; W439-Y473 AromaticContact NE1-CD1 3.12Å; W439-Y473 AromaticContact NE1-CE1 3.69Å; W439-Y473 AromaticContact NE1-CG 3.58Å; W439-I492 HydrophobicContact CB-CD1 3.97Å
440	Q	97.9	Very high	96.6	Very high	60 Å²	60	41 Å²	41	28%	0.28	20%	0.196	S	C	.	.	H	α-helix	trans	-62	-45.1	175.6	-75.8	-176.5	33.6	0	0	112	V436 E437 Y442 L443 D444 I492	V436-Q440 VanDerWaalsContact CG1-NE2 3.32Å; V436-Q440 WeakPolarHBondContact O-CB 3.3Å; V436-Q440 VanDerWaalsContact O-CG 3.29Å; V436-Q440 WeakPolarHBondContact O-CG 3.46Å; V436-Q440 PolarHBondContact O-N 3.34Å; E437-Q440 PolarHBondContact O-N 3.45Å; Q440-Y442 VanDerWaalsContact C-N 3.33Å; Q440-Y442 PolarHBondContact O-N 3.08Å; Q440-L443 PolarHBondContact O-N 3.21Å; Q440-D444 VanDerWaalsContact O-CB 3.25Å; Q440-D444 WeakPolarHBondContact O-CB 3.32Å; Q440-D444 PolarHBondContact O-N 3.47Å; Q440-I492 HydrophobicContact CG-CD1 4.15Å; Q440-I492 HydrophobicContact CG-CG1 3.77Å
441	A	98.2	Very high	96.8	Very high	17 Å²	17	38.6 Å²	38.6	14%	0.14	18%	0.184	C	C	.	.	H	α-helix	trans	-58.2	-43.2	178.6	0	0	0	0	0	112.4	E437 I438 Y445	E437-A441 PolarHBondContact O-N 3.09Å; I438-A441 PolarHBondContact O-N 3.4Å; A441-Y445 PolarHBondContact O-N 2.72Å; A441-Y445 VanDerWaalsContact O-N 3.13Å
442	Y	98.5	Very high	96.9	Very high	18 Å²	18	35.7 Å²	35.7	7%	0.071	17%	0.17	C	C	.	.	H	α-helix	trans	-73.8	-41	178.7	-176.5	-115.9	0	0	0	113.3	S418 F421 I438 W439 Q440 D444 Y445 L446	S418-Y442 PolarHBondContact OG-OH 2.89Å; S418-Y442 VanDerWaalsContact OG-OH 3.07Å; F421-Y442 HydrophobicContact CB-CD2 3.7Å; F421-Y442 HydrophobicContact CB-CE2 3.9Å; F421-Y442 HydrophobicContact CB-CG 4.11Å; F421-Y442 AromaticContact CD1-CD1 3.55Å; F421-Y442 HydrophobicContact CD1-CD1 3.55Å; F421-Y442 HydrophobicContact CD1-CD2 4.11Å; F421-Y442 AromaticContact CD1-CE1 3.61Å; F421-Y442 HydrophobicContact CD1-CE1 3.61Å; F421-Y442 HydrophobicContact CD1-CE2 4.17Å; F421-Y442 AromaticContact CD1-CG 3.81Å; F421-Y442 HydrophobicContact CD1-CG 3.81Å; F421-Y442 AromaticContact CD1-CZ 3.93Å; F421-Y442 AromaticContact CD2-CD1 3.97Å; F421-Y442 HydrophobicContact CD2-CD1 3.97Å; F421-Y442 AromaticContact CD2-CD2 3.98Å; F421-Y442 HydrophobicContact CD2-CD2 3.98Å; F421-Y442 AromaticContact CD2-CG 3.52Å; F421-Y442 HydrophobicContact CD2-CG 3.52Å; F421-Y442 AromaticContact CE1-CD1 3.54Å; F421-Y442 HydrophobicContact CE1-CD1 3.54Å; F421-Y442 AromaticContact CE1-CE1 3.78Å; F421-Y442 HydrophobicContact CE1-CE1 3.78Å; F421-Y442 HydrophobicContact CE1-CG 4.12Å; F421-Y442 AromaticContact CE2-CD1 3.95Å; F421-Y442 HydrophobicContact CE2-CD1 3.95Å; F421-Y442 AromaticContact CE2-CG 3.84Å; F421-Y442 HydrophobicContact CE2-CG 3.84Å; F421-Y442 AromaticContact CG-CD1 3.77Å; F421-Y442 HydrophobicContact CG-CD1 3.77Å; F421-Y442 AromaticContact CG-CD2 3.63Å; F421-Y442 HydrophobicContact CG-CD2 3.63Å; F421-Y442 HydrophobicContact CG-CE1 4.14Å; F421-Y442 HydrophobicContact CG-CE2 4.03Å; F421-Y442 AromaticContact CG-CG 3.5Å; F421-Y442 HydrophobicContact CG-CG 3.5Å; F421-Y442 AromaticContact CZ-CD1 3.74Å; F421-Y442 HydrophobicContact CZ-CD1 3.74Å; F421-Y442 HydrophobicContact CZ-CE1 4.44Å; F421-Y442 HydrophobicContact CZ-CG 4.13Å; I438-Y442 PolarHBondContact O-N 2.97Å; I438-Y442 VanDerWaalsContact O-N 3.07Å; W439-Y442 HydrophobicContact CZ3-CD1 4.47Å; W439-Y442 PolarHBondContact O-N 3.22Å; Q440-Y442 VanDerWaalsContact C-N 3.33Å; Q440-Y442 PolarHBondContact O-N 3.08Å; Y442-D444 VanDerWaalsContact C-N 3.28Å; Y442-D444 PolarHBondContact O-N 3.36Å; Y442-Y445 AromaticContact CD2-CD1 3.76Å; Y442-Y445 HydrophobicContact CD2-CD1 3.76Å; Y442-Y445 HydrophobicContact CD2-CE1 4.3Å; Y442-Y445 AromaticContact CE2-CD1 3.77Å; Y442-Y445 HydrophobicContact CE2-CD1 3.77Å; Y442-Y445 AromaticContact CE2-CE1 3.86Å; Y442-Y445 HydrophobicContact CE2-CE1 3.86Å; Y442-Y445 WeakPolarHBondContact O-CB 3.46Å; Y442-Y445 PolarHBondContact O-N 3.39Å; Y442-L446 HydrophobicContact CD1-CD1 4.08Å; Y442-L446 HydrophobicContact CE1-CD1 3.63Å; Y442-L446 HydrophobicContact CE1-CG 4.19Å; Y442-L446 HydrophobicContact CE2-CD2 4.47Å; Y442-L446 HydrophobicContact CE2-CG 4.41Å; Y442-L446 WeakPolarHBondContact O-CG 3.41Å; Y442-L446 PolarHBondContact O-N 3.44Å
443	L	98.4	Very high	96.8	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-37.4	174.2	-72	165.4	0	0	0	111.8	W439 Q440 L446 R447 L463 A466 F467 A470 I492	W439-L443 VanDerWaalsContact O-CB 3.3Å; W439-L443 WeakPolarHBondContact O-CB 3.46Å; W439-L443 WeakPolarHBondContact O-CD1 3.47Å; W439-L443 WeakPolarHBondContact O-CG 3.43Å; W439-L443 PolarHBondContact O-N 2.78Å; Q440-L443 PolarHBondContact O-N 3.21Å; L443-L446 PolarHBondContact O-N 3.46Å; L443-R447 VanDerWaalsContact O-CB 3.29Å; L443-R447 WeakPolarHBondContact O-CB 3.42Å; L443-R447 PolarHBondContact O-N 3.16Å; L443-L463 HydrophobicContact CD2-CD1 4.39Å; L443-L463 WeakPolarHBondContact O-CD1 3.3Å; L443-A466 HydrophobicContact CD2-CB 3.73Å; L443-F467 HydrophobicContact CB-CE1 4.31Å; L443-F467 HydrophobicContact CB-CZ 4.4Å; L443-F467 HydrophobicContact CD1-CD1 3.75Å; L443-F467 HydrophobicContact CD1-CE1 3.75Å; L443-F467 HydrophobicContact CD2-CB 4.4Å; L443-F467 HydrophobicContact CD2-CD1 3.82Å; L443-F467 HydrophobicContact CD2-CD2 4.24Å; L443-F467 HydrophobicContact CD2-CE1 4.1Å; L443-F467 HydrophobicContact CD2-CE2 4.49Å; L443-F467 HydrophobicContact CD2-CG 3.88Å; L443-F467 HydrophobicContact CD2-CZ 4.41Å; L443-F467 HydrophobicContact CG-CD1 4.33Å; L443-F467 HydrophobicContact CG-CE1 4.28Å; L443-A470 HydrophobicContact CD1-CB 3.99Å; L443-I492 HydrophobicContact CD1-CD1 4.37Å; L443-I492 HydrophobicContact CD1-CG2 3.88Å
444	D	98.1	Very high	96.5	Very high	67 Å²	67	46 Å²	46	36%	0.358	21%	0.21	S	C	.	.	H	α-helix	trans	-74.3	-30.7	179.2	-154.1	30.5	0	0	0	112	Q440 Y442 R447 R448	Q440-D444 VanDerWaalsContact O-CB 3.25Å; Q440-D444 WeakPolarHBondContact O-CB 3.32Å; Q440-D444 PolarHBondContact O-N 3.47Å; Y442-D444 VanDerWaalsContact C-N 3.28Å; Y442-D444 PolarHBondContact O-N 3.36Å; D444-R447 IonicContact OD1-CZ 2.76Å; D444-R447 IonicContact OD1-NE 2.76Å; D444-R447 PolarHBondContact OD1-NE 3.24Å; D444-R447 IonicContact OD1-NH2 3Å; D444-R447 PolarHBondContact OD1-NH2 3.36Å; D444-R447 VanDerWaalsContact OD1-NH2 3.09Å; D444-R448 WeakPolarHBondContact O-CG 3.48Å; D444-R448 VanDerWaalsContact O-CZ 3.28Å; D444-R448 PolarHBondContact O-N 3.46Å; D444-R448 VanDerWaalsContact O-N 3.11Å; D444-R448 PolarHBondContact O-NE 2.86Å; D444-R448 PolarHBondContact O-NH1 2.88Å; D444-R448 IonicContact OD1-NH1 2.7Å; D444-R448 IonicContact OD2-CZ 3.56Å; D444-R448 IonicContact OD2-NH1 3.92Å; D444-R448 PolarHBondContact OD2-NH1 3.49Å
445	Y	98.3	Very high	95.6	Very high	13 Å²	13	53.1 Å²	53.1	5%	0.051	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-50.3	166	154.9	-104.9	0	0	0	111.8	E408 H414 I417 A441 Y442 R447 R448 R449	E408-Y445 HydrophobicContact CB-CD2 4.12Å; E408-Y445 HydrophobicContact CG-CD2 3.92Å; E408-Y445 HydrophobicContact CG-CE2 4.42Å; H414-Y445 WeakPolarHBondContact CA-OH 3.41Å; H414-Y445 AromaticContact ND1-CE1 3.87Å; H414-Y445 AromaticContact ND1-CZ 3.8Å; H414-Y445 PolarHBondContact ND1-OH 2.95Å; I417-Y445 HydrophobicContact CB-CE1 4.26Å; I417-Y445 HydrophobicContact CD1-CE2 3.62Å; I417-Y445 HydrophobicContact CG2-CD1 3.97Å; I417-Y445 HydrophobicContact CG2-CD2 4.46Å; I417-Y445 HydrophobicContact CG2-CE1 3.54Å; I417-Y445 HydrophobicContact CG2-CE2 4.07Å; I417-Y445 HydrophobicContact CG2-CG 4.4Å; A441-Y445 PolarHBondContact O-N 2.72Å; A441-Y445 VanDerWaalsContact O-N 3.13Å; Y442-Y445 AromaticContact CD2-CD1 3.76Å; Y442-Y445 HydrophobicContact CD2-CD1 3.76Å; Y442-Y445 HydrophobicContact CD2-CE1 4.3Å; Y442-Y445 AromaticContact CE2-CD1 3.77Å; Y442-Y445 HydrophobicContact CE2-CD1 3.77Å; Y442-Y445 AromaticContact CE2-CE1 3.86Å; Y442-Y445 HydrophobicContact CE2-CE1 3.86Å; Y442-Y445 WeakPolarHBondContact O-CB 3.46Å; Y442-Y445 PolarHBondContact O-N 3.39Å; Y445-R447 VanDerWaalsContact C-N 3.28Å; Y445-R447 PolarHBondContact O-N 3.13Å; Y445-R448 WeakPolarHBondContact O-CA 3.4Å; Y445-R448 PolarHBondContact O-N 3.43Å; Y445-R449 HydrophobicContact CE2-CG 4.33Å; Y445-R449 PolarHBondContact O-N 2.98Å
446	L	97.8	Very high	95.1	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-42	176.3	-70.1	179	0	0	0	111	Y442 L443 R448 R449 L463 A466	Y442-L446 HydrophobicContact CD1-CD1 4.08Å; Y442-L446 HydrophobicContact CE1-CD1 3.63Å; Y442-L446 HydrophobicContact CE1-CG 4.19Å; Y442-L446 HydrophobicContact CE2-CD2 4.47Å; Y442-L446 HydrophobicContact CE2-CG 4.41Å; Y442-L446 WeakPolarHBondContact O-CG 3.41Å; Y442-L446 PolarHBondContact O-N 3.44Å; L443-L446 PolarHBondContact O-N 3.46Å; L446-R448 PolarHBondContact O-N 2.96Å; L446-R449 VanDerWaalsContact CD2-NH1 3.34Å; L446-R449 WeakPolarHBondContact O-CB 3.29Å; L446-R449 PolarHBondContact O-N 2.97Å; L446-L463 HydrophobicContact CB-CD1 3.79Å; L446-A466 HydrophobicContact CD1-CB 3.35Å
447	R	97.8	Very high	94.9	Very high	67 Å²	67	57 Å²	57	25%	0.253	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-26.7	174.6	-168.3	-155.4	57.9	65.1	-2.5	113.1	L443 D444 Y445 F452 L463 I499	L443-R447 VanDerWaalsContact O-CB 3.29Å; L443-R447 WeakPolarHBondContact O-CB 3.42Å; L443-R447 PolarHBondContact O-N 3.16Å; D444-R447 IonicContact OD1-CZ 2.76Å; D444-R447 IonicContact OD1-NE 2.76Å; D444-R447 PolarHBondContact OD1-NE 3.24Å; D444-R447 IonicContact OD1-NH2 3Å; D444-R447 PolarHBondContact OD1-NH2 3.36Å; D444-R447 VanDerWaalsContact OD1-NH2 3.09Å; Y445-R447 VanDerWaalsContact C-N 3.28Å; Y445-R447 PolarHBondContact O-N 3.13Å; R447-F452 HydrophobicContact CG-CE2 4.14Å; R447-F452 HydrophobicContact CG-CZ 3.81Å; R447-F452 WeakPolarHBondContact O-CE2 3.27Å; R447-L463 HydrophobicContact CB-CD1 4.16Å; R447-L463 HydrophobicContact CB-CD2 4.04Å; R447-L463 HydrophobicContact CG-CD2 4.14Å; R447-I499 HydrophobicContact CG-CD1 3.88Å; R447-I499 HydrophobicContact CG-CG1 4.27Å
448	R	97.8	Very high	94.7	Very high	94 Å²	94	59.9 Å²	59.9	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-80.5	-11.7	173.9	-75.3	-176.3	-66.1	-92.9	-0.7	113.8	E408 D444 Y445 L446	E408-R448 VanDerWaalsContact CD-NE 3.3Å; E408-R448 WeakPolarHBondContact OE1-CB 3.3Å; E408-R448 WeakPolarHBondContact OE1-CD 3.14Å; E408-R448 IonicContact OE1-CZ 2.66Å; E408-R448 IonicContact OE1-NE 2.72Å; E408-R448 PolarHBondContact OE1-NE 3.49Å; E408-R448 IonicContact OE1-NH2 3.3Å; E408-R448 IonicContact OE2-CZ 3.16Å; E408-R448 IonicContact OE2-NE 3.01Å; E408-R448 PolarHBondContact OE2-NE 3Å; E408-R448 VanDerWaalsContact OE2-NE 3.15Å; E408-R448 IonicContact OE2-NH2 2.87Å; E408-R448 PolarHBondContact OE2-NH2 3.18Å; D444-R448 WeakPolarHBondContact O-CG 3.48Å; D444-R448 VanDerWaalsContact O-CZ 3.28Å; D444-R448 PolarHBondContact O-N 3.46Å; D444-R448 VanDerWaalsContact O-N 3.11Å; D444-R448 PolarHBondContact O-NE 2.86Å; D444-R448 PolarHBondContact O-NH1 2.88Å; D444-R448 IonicContact OD1-NH1 2.7Å; D444-R448 IonicContact OD2-CZ 3.56Å; D444-R448 IonicContact OD2-NH1 3.92Å; D444-R448 PolarHBondContact OD2-NH1 3.49Å; Y445-R448 WeakPolarHBondContact O-CA 3.4Å; Y445-R448 PolarHBondContact O-N 3.43Å; L446-R448 PolarHBondContact O-N 2.96Å
449	R	95.9	Very high	94.6	Very high	70 Å²	70	62.8 Å²	62.8	26%	0.264	30%	0.302	S	S	.	.	H	α-helix	trans	-82.8	-19.7	170.7	-68.1	173.8	56.2	-127.6	-2.7	114.3	H414 Y445 L446 E462	H414-R449 PolarHBondContact CE1-NH1 2.9Å; Y445-R449 HydrophobicContact CE2-CG 4.33Å; Y445-R449 PolarHBondContact O-N 2.98Å; L446-R449 VanDerWaalsContact CD2-NH1 3.34Å; L446-R449 WeakPolarHBondContact O-CB 3.29Å; L446-R449 PolarHBondContact O-N 2.97Å; R449-E462 IonicContact CZ-OE2 3.81Å; R449-E462 VanDerWaalsContact CZ-OE2 3.24Å; R449-E462 IonicContact NH1-OE2 2.67Å; R449-E462 PolarHBondContact NH1-OE2 2.9Å; R449-E462 IonicContact NH2-OE2 2.78Å; R449-E462 PolarHBondContact NH2-OE2 2.69Å
450	V	96.7	Very high	94.4	Very high	14 Å²	14	63 Å²	63	9%	0.085	30%	0.304	C	S	.	.			trans	-84.1	128.5	-172.4	-177.1	0	0	0	0	112.1	F452 E459 L460 L463	V450-F452 HydrophobicContact CB-CD2 4.15Å; V450-F452 HydrophobicContact CB-CE1 4.17Å; V450-F452 HydrophobicContact CB-CE2 3.66Å; V450-F452 HydrophobicContact CB-CZ 3.68Å; V450-F452 HydrophobicContact CG1-CD1 3.86Å; V450-F452 HydrophobicContact CG1-CD2 4.07Å; V450-F452 HydrophobicContact CG1-CE1 3.74Å; V450-F452 HydrophobicContact CG1-CE2 3.95Å; V450-F452 HydrophobicContact CG1-CG 4.03Å; V450-F452 HydrophobicContact CG1-CZ 3.78Å; V450-F452 HydrophobicContact CG2-CZ 4.26Å; V450-F452 WeakPolarHBondContact O-CD2 3.45Å; V450-F452 PolarHBondContact O-N 2.95Å; V450-E459 HydrophobicContact CG2-CB 3.91Å; V450-L460 HydrophobicContact CG1-CB 3.89Å; V450-L460 HydrophobicContact CG1-CD1 4.38Å; V450-L460 HydrophobicContact CG2-CB 4.49Å; V450-L463 HydrophobicContact CG2-CB 4.42Å; V450-L463 HydrophobicContact CG2-CD2 4.15Å
451	D	94.6	Very high	94.3	Very high	69 Å²	69	64.9 Å²	64.9	37%	0.369	31%	0.312	S	S	.	.			trans	-86.5	93.8	164.2	-179.5	21.4	0	0	0	110.8	K453 Q454	D451-K453 PolarHBondContact O-N 3.13Å; D451-K453 WeakPolarHBondContact OD1-CB 3.18Å; D451-K453 WeakPolarHBondContact OD1-CG 3.46Å; D451-K453 PolarHBondContact OD1-N 3.18Å; D451-Q454 PolarHBondContact O-N 3.38Å; D451-Q454 PolarHBondContact OD2-NE2 2.73Å
452	F	93.4	Very high	94.3	Very high	48 Å²	48	66.2 Å²	66.2	21%	0.211	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	9.7	179.7	-63	-83.7	0	0	0	114.9	R447 V450 L460 L463 I499 L503	R447-F452 HydrophobicContact CG-CE2 4.14Å; R447-F452 HydrophobicContact CG-CZ 3.81Å; R447-F452 WeakPolarHBondContact O-CE2 3.27Å; V450-F452 HydrophobicContact CB-CD2 4.15Å; V450-F452 HydrophobicContact CB-CE1 4.17Å; V450-F452 HydrophobicContact CB-CE2 3.66Å; V450-F452 HydrophobicContact CB-CZ 3.68Å; V450-F452 HydrophobicContact CG1-CD1 3.86Å; V450-F452 HydrophobicContact CG1-CD2 4.07Å; V450-F452 HydrophobicContact CG1-CE1 3.74Å; V450-F452 HydrophobicContact CG1-CE2 3.95Å; V450-F452 HydrophobicContact CG1-CG 4.03Å; V450-F452 HydrophobicContact CG1-CZ 3.78Å; V450-F452 HydrophobicContact CG2-CZ 4.26Å; V450-F452 WeakPolarHBondContact O-CD2 3.45Å; V450-F452 PolarHBondContact O-N 2.95Å; F452-L460 HydrophobicContact CE1-CD1 4.12Å; F452-L463 HydrophobicContact CZ-CD2 4.31Å; F452-I499 HydrophobicContact CE1-CG2 3.83Å; F452-I499 HydrophobicContact CZ-CG2 4.15Å; F452-L503 HydrophobicContact CB-CB 4.09Å; F452-L503 HydrophobicContact CD1-CB 3.44Å; F452-L503 VanDerWaalsContact CD1-CB 3.44Å; F452-L503 HydrophobicContact CD1-CD1 4.13Å; F452-L503 HydrophobicContact CD1-CG 4.4Å; F452-L503 HydrophobicContact CD2-CB 4.47Å; F452-L503 HydrophobicContact CD2-CD1 4Å; F452-L503 HydrophobicContact CE1-CB 3.91Å; F452-L503 HydrophobicContact CE1-CD1 4.01Å; F452-L503 HydrophobicContact CE2-CD1 3.87Å; F452-L503 HydrophobicContact CG-CB 3.76Å; F452-L503 HydrophobicContact CG-CD1 4.12Å; F452-L503 HydrophobicContact CG-CG 4.43Å; F452-L503 HydrophobicContact CZ-CD1 3.88Å
453	K	91.6	Very high	94.2	Very high	186 Å²	186	65.5 Å²	65.5	81%	0.809	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-9.5	168.3	-62.4	175.6	-176.4	171.8	0	113.3	D451	D451-K453 PolarHBondContact O-N 3.13Å; D451-K453 WeakPolarHBondContact OD1-CB 3.18Å; D451-K453 WeakPolarHBondContact OD1-CG 3.46Å; D451-K453 PolarHBondContact OD1-N 3.18Å
454	Q	89.4	Confident	94.2	Very high	104 Å²	104	67.6 Å²	67.6	49%	0.486	32%	0.32	S	S	.	.	S	Bend	trans	-104.8	125.9	-176.7	-58.2	177.3	39.4	0	0	109.4	D451 S456	D451-Q454 PolarHBondContact O-N 3.38Å; D451-Q454 PolarHBondContact OD2-NE2 2.73Å; Q454-S456 PolarHBondContact O-N 3.17Å; Q454-S456 VanDerWaalsContact O-N 3.12Å
455	D	76.8	Confident	94.1	Very high	172 Å²	172	67.3 Å²	67.3	92%	0.92	33%	0.327	S	S	*	.	S	Bend	trans	-60.1	-25.7	-175.4	-61.2	-47.4	0	0	0	113.3
456	S	85.4	Confident	94.1	Very high	92 Å²	92	67.2 Å²	67.2	64%	0.643	33%	0.329	S	S	*	.	S	Bend	trans	-144	145	162.3	53.5	0	0	0	0	111	Q454	Q454-S456 PolarHBondContact O-N 3.17Å; Q454-S456 VanDerWaalsContact O-N 3.12Å
457	S	91.9	Very high	94.2	Very high	13 Å²	13	67.3 Å²	67.3	9%	0.091	33%	0.329	C	S	.	.			trans	-142.2	149.8	177.4	130.5	0	0	0	0	108.4	E459 L460 E461	S457-E459 VanDerWaalsContact C-N 3.27Å; S457-E459 PolarHBondContact O-N 3.34Å; S457-E459 WeakPolarHBondContact OG-CB 3.34Å; S457-E459 PolarHBondContact OG-N 3.33Å; S457-E459 VanDerWaalsContact OG-N 3.16Å; S457-E459 PolarHBondContact OG-OE2 3.12Å; S457-L460 PolarHBondContact O-N 3.07Å; S457-L460 PolarHBondContact OG-N 3.45Å; S457-L460 VanDerWaalsContact OG-N 3.15Å; S457-E461 PolarHBondContact O-N 2.98Å
458	K	94.3	Very high	94.2	Very high	143 Å²	143	67.9 Å²	67.9	62%	0.622	34%	0.341	S	S	*	.	H	α-helix	trans	-63.3	-38.8	177.3	178.8	175.5	175.2	-77.9	0	111	L460 E461 E462	K458-L460 VanDerWaalsContact C-N 3.32Å; K458-L460 PolarHBondContact O-N 3.38Å; K458-E461 PolarHBondContact O-N 2.83Å; K458-E462 IonicContact NZ-OE1 3.91Å; K458-E462 PolarHBondContact NZ-OE1 3.29Å; K458-E462 WeakPolarHBondContact O-CG 3.46Å; K458-E462 PolarHBondContact O-N 2.84Å
459	E	95.3	Very high	94.2	Very high	61 Å²	61	68.6 Å²	68.6	29%	0.285	34%	0.343	S	S	.	.	H	α-helix	trans	-66.8	-33.3	178.6	-55.8	65.8	-144.5	0	0	111.3	V450 S457 L463	V450-E459 HydrophobicContact CG2-CB 3.91Å; S457-E459 VanDerWaalsContact C-N 3.27Å; S457-E459 PolarHBondContact O-N 3.34Å; S457-E459 WeakPolarHBondContact OG-CB 3.34Å; S457-E459 PolarHBondContact OG-N 3.33Å; S457-E459 VanDerWaalsContact OG-N 3.16Å; S457-E459 PolarHBondContact OG-OE2 3.12Å; E459-L463 WeakPolarHBondContact O-CB 3.36Å; E459-L463 PolarHBondContact O-N 3.37Å
460	L	95.3	Very high	94.3	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-68.1	-40	173.5	178.9	56.6	0	0	0	111.7	V450 F452 S457 K458 L463 R464	V450-L460 HydrophobicContact CG1-CB 3.89Å; V450-L460 HydrophobicContact CG1-CD1 4.38Å; V450-L460 HydrophobicContact CG2-CB 4.49Å; F452-L460 HydrophobicContact CE1-CD1 4.12Å; S457-L460 PolarHBondContact O-N 3.07Å; S457-L460 PolarHBondContact OG-N 3.45Å; S457-L460 VanDerWaalsContact OG-N 3.15Å; K458-L460 VanDerWaalsContact C-N 3.32Å; K458-L460 PolarHBondContact O-N 3.38Å; L460-L463 HydrophobicContact CD1-CD2 4.45Å; L460-L463 WeakPolarHBondContact O-CB 3.48Å; L460-L463 PolarHBondContact O-N 3.45Å; L460-R464 WeakPolarHBondContact O-CG 3.48Å; L460-R464 PolarHBondContact O-N 2.98Å
461	E	95.9	Very high	94.2	Very high	98 Å²	98	65.4 Å²	65.4	46%	0.458	33%	0.331	S	S	.	.	H	α-helix	trans	-72.1	-35.2	174.2	-64.5	-52.3	122.9	0	0	112.2	S457 K458 L463 R464 A465	S457-E461 PolarHBondContact O-N 2.98Å; K458-E461 PolarHBondContact O-N 2.83Å; E461-L463 VanDerWaalsContact C-N 3.33Å; E461-L463 PolarHBondContact O-N 2.86Å; E461-R464 PolarHBondContact O-N 3.45Å; E461-R464 VanDerWaalsContact OE1-CD 3.31Å; E461-R464 WeakPolarHBondContact OE1-CD 3.12Å; E461-R464 IonicContact OE1-CZ 2.76Å; E461-R464 IonicContact OE1-NE 2.69Å; E461-R464 IonicContact OE1-NH1 3.3Å; E461-R464 PolarHBondContact OE1-NH1 3.18Å; E461-A465 VanDerWaalsContact O-CB 3.29Å; E461-A465 WeakPolarHBondContact O-CB 3.2Å; E461-A465 PolarHBondContact O-N 3.07Å
462	E	96.6	Very high	94.3	Very high	46 Å²	46	66 Å²	66	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-58.2	-43.5	168	-74.4	169.2	-170.8	0	0	111.5	R449 K458 A465 A466	R449-E462 IonicContact CZ-OE2 3.81Å; R449-E462 VanDerWaalsContact CZ-OE2 3.24Å; R449-E462 IonicContact NH1-OE2 2.67Å; R449-E462 PolarHBondContact NH1-OE2 2.9Å; R449-E462 IonicContact NH2-OE2 2.78Å; R449-E462 PolarHBondContact NH2-OE2 2.69Å; K458-E462 IonicContact NZ-OE1 3.91Å; K458-E462 PolarHBondContact NZ-OE1 3.29Å; K458-E462 WeakPolarHBondContact O-CG 3.46Å; K458-E462 PolarHBondContact O-N 2.84Å; E462-A465 PolarHBondContact O-N 3.12Å; E462-A466 VanDerWaalsContact O-CB 3.3Å; E462-A466 WeakPolarHBondContact O-CB 3.46Å; E462-A466 PolarHBondContact O-N 3.4Å
463	L	97.5	Very high	94.4	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-64.4	-44.6	175.8	177.7	65.2	0	0	0	112.2	L443 L446 R447 V450 F452 E459 L460 E461 A466 F467 I499	L443-L463 HydrophobicContact CD2-CD1 4.39Å; L443-L463 WeakPolarHBondContact O-CD1 3.3Å; L446-L463 HydrophobicContact CB-CD1 3.79Å; R447-L463 HydrophobicContact CB-CD1 4.16Å; R447-L463 HydrophobicContact CB-CD2 4.04Å; R447-L463 HydrophobicContact CG-CD2 4.14Å; V450-L463 HydrophobicContact CG2-CB 4.42Å; V450-L463 HydrophobicContact CG2-CD2 4.15Å; F452-L463 HydrophobicContact CZ-CD2 4.31Å; E459-L463 WeakPolarHBondContact O-CB 3.36Å; E459-L463 PolarHBondContact O-N 3.37Å; L460-L463 HydrophobicContact CD1-CD2 4.45Å; L460-L463 WeakPolarHBondContact O-CB 3.48Å; L460-L463 PolarHBondContact O-N 3.45Å; E461-L463 VanDerWaalsContact C-N 3.33Å; E461-L463 PolarHBondContact O-N 2.86Å; L463-A466 PolarHBondContact O-N 3.17Å; L463-F467 HydrophobicContact CD1-CD2 3.93Å; L463-F467 HydrophobicContact CD1-CE2 3.56Å; L463-F467 HydrophobicContact CD1-CZ 4.36Å; L463-F467 HydrophobicContact CD2-CE2 4.2Å; L463-F467 HydrophobicContact CG-CD2 3.9Å; L463-F467 HydrophobicContact CG-CE2 3.72Å; L463-F467 VanDerWaalsContact O-CD2 3.31Å; L463-F467 WeakPolarHBondContact O-CD2 3.35Å; L463-F467 PolarHBondContact O-N 3.38Å; L463-I499 HydrophobicContact CD2-CG2 4.46Å
464	R	97	Very high	94.6	Very high	50 Å²	50	56.5 Å²	56.5	19%	0.189	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-39.9	176.8	-75.9	167.5	167	158.7	1.1	112.1	L460 E461 T468 W496 E500	L460-R464 WeakPolarHBondContact O-CG 3.48Å; L460-R464 PolarHBondContact O-N 2.98Å; E461-R464 PolarHBondContact O-N 3.45Å; E461-R464 VanDerWaalsContact OE1-CD 3.31Å; E461-R464 WeakPolarHBondContact OE1-CD 3.12Å; E461-R464 IonicContact OE1-CZ 2.76Å; E461-R464 IonicContact OE1-NE 2.69Å; E461-R464 IonicContact OE1-NH1 3.3Å; E461-R464 PolarHBondContact OE1-NH1 3.18Å; R464-T468 WeakPolarHBondContact O-CB 3.26Å; R464-T468 PolarHBondContact O-N 3.17Å; R464-T468 PolarHBondContact O-OG1 3.24Å; R464-W496 HydrophobicContact CG-CZ2 4.49Å; R464-E500 WeakPolarHBondContact CG-OE1 3.41Å; R464-E500 IonicContact CZ-OE1 3.5Å; R464-E500 IonicContact CZ-OE2 3.57Å; R464-E500 IonicContact NE-OE1 2.71Å; R464-E500 PolarHBondContact NE-OE1 3.35Å; R464-E500 IonicContact NE-OE2 3.56Å; R464-E500 IonicContact NH2-OE1 3.45Å; R464-E500 IonicContact NH2-OE2 2.74Å; R464-E500 PolarHBondContact NH2-OE2 2.93Å
465	A	97.8	Very high	94.7	Very high	61 Å²	61	55.6 Å²	55.6	50%	0.504	28%	0.284	S	S	.	.	H	α-helix	trans	-64.6	-42.8	172.7	0	0	0	0	0	111.5	E461 E462 T468 R469	E461-A465 VanDerWaalsContact O-CB 3.29Å; E461-A465 WeakPolarHBondContact O-CB 3.2Å; E461-A465 PolarHBondContact O-N 3.07Å; E462-A465 PolarHBondContact O-N 3.12Å; A465-T468 WeakPolarHBondContact O-CB 3.32Å; A465-T468 PolarHBondContact O-N 3.39Å; A465-R469 PolarHBondContact O-N 3.01Å
466	A	98.1	Very high	95.5	Very high	11 Å²	11	51.7 Å²	51.7	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-42.9	176.7	0	0	0	0	0	112.6	L443 L446 E462 L463 T468 R469 A470	L443-A466 HydrophobicContact CD2-CB 3.73Å; L446-A466 HydrophobicContact CD1-CB 3.35Å; E462-A466 VanDerWaalsContact O-CB 3.3Å; E462-A466 WeakPolarHBondContact O-CB 3.46Å; E462-A466 PolarHBondContact O-N 3.4Å; L463-A466 PolarHBondContact O-N 3.17Å; A466-T468 VanDerWaalsContact C-N 3.3Å; A466-T468 PolarHBondContact O-N 2.84Å; A466-R469 PolarHBondContact O-N 3.48Å; A466-A470 WeakPolarHBondContact O-CB 3.36Å; A466-A470 PolarHBondContact O-N 3.34Å
467	F	98.3	Very high	95.8	Very high	5 Å²	5	51.7 Å²	51.7	2%	0.022	25%	0.25	C	S	.	.	H	α-helix	trans	-59.3	-42	172.3	-87	-62.7	0	0	0	111.8	L443 L463 A470 L471 I492 W496 I499	L443-F467 HydrophobicContact CB-CE1 4.31Å; L443-F467 HydrophobicContact CB-CZ 4.4Å; L443-F467 HydrophobicContact CD1-CD1 3.75Å; L443-F467 HydrophobicContact CD1-CE1 3.75Å; L443-F467 HydrophobicContact CD2-CB 4.4Å; L443-F467 HydrophobicContact CD2-CD1 3.82Å; L443-F467 HydrophobicContact CD2-CD2 4.24Å; L443-F467 HydrophobicContact CD2-CE1 4.1Å; L443-F467 HydrophobicContact CD2-CE2 4.49Å; L443-F467 HydrophobicContact CD2-CG 3.88Å; L443-F467 HydrophobicContact CD2-CZ 4.41Å; L443-F467 HydrophobicContact CG-CD1 4.33Å; L443-F467 HydrophobicContact CG-CE1 4.28Å; L463-F467 HydrophobicContact CD1-CD2 3.93Å; L463-F467 HydrophobicContact CD1-CE2 3.56Å; L463-F467 HydrophobicContact CD1-CZ 4.36Å; L463-F467 HydrophobicContact CD2-CE2 4.2Å; L463-F467 HydrophobicContact CG-CD2 3.9Å; L463-F467 HydrophobicContact CG-CE2 3.72Å; L463-F467 VanDerWaalsContact O-CD2 3.31Å; L463-F467 WeakPolarHBondContact O-CD2 3.35Å; L463-F467 PolarHBondContact O-N 3.38Å; F467-A470 PolarHBondContact O-N 3.15Å; F467-L471 WeakPolarHBondContact O-CB 3.33Å; F467-L471 VanDerWaalsContact O-CG 3.32Å; F467-L471 WeakPolarHBondContact O-CG 3.13Å; F467-L471 PolarHBondContact O-N 2.92Å; F467-I492 HydrophobicContact CD1-CG2 3.84Å; F467-I492 HydrophobicContact CE1-CG2 4.05Å; F467-W496 HydrophobicContact CB-CD2 3.63Å; F467-W496 HydrophobicContact CB-CE3 3.68Å; F467-W496 HydrophobicContact CB-CG 4.13Å; F467-W496 HydrophobicContact CB-CH2 4.19Å; F467-W496 HydrophobicContact CB-CZ2 4.18Å; F467-W496 HydrophobicContact CB-CZ3 3.96Å; F467-W496 HydrophobicContact CD1-CB 3.76Å; F467-W496 HydrophobicContact CD1-CD2 4.28Å; F467-W496 HydrophobicContact CD1-CE3 4.5Å; F467-W496 AromaticContact CD1-CG 3.99Å; F467-W496 HydrophobicContact CD1-CG 3.99Å; F467-W496 HydrophobicContact CD2-CB 4.17Å; F467-W496 AromaticContact CD2-CD1 3.62Å; F467-W496 HydrophobicContact CD2-CD2 4.07Å; F467-W496 AromaticContact CD2-CG 3.71Å; F467-W496 HydrophobicContact CD2-CG 3.71Å; F467-W496 AromaticContact CD2-NE1 3.97Å; F467-W496 HydrophobicContact CE1-CB 3.75Å; F467-W496 HydrophobicContact CE1-CG 4.32Å; F467-W496 HydrophobicContact CE2-CB 4.16Å; F467-W496 AromaticContact CE2-CD1 3.88Å; F467-W496 HydrophobicContact CE2-CG 4.06Å; F467-W496 HydrophobicContact CG-CB 3.99Å; F467-W496 AromaticContact CG-CD2 3.76Å; F467-W496 HydrophobicContact CG-CD2 3.76Å; F467-W496 HydrophobicContact CG-CE3 4.16Å; F467-W496 AromaticContact CG-CG 3.69Å; F467-W496 HydrophobicContact CG-CG 3.69Å; F467-W496 HydrophobicContact CZ-CB 3.97Å; F467-W496 HydrophobicContact CZ-CG 4.37Å; F467-I499 HydrophobicContact CE2-CD1 3.74Å; F467-I499 HydrophobicContact CZ-CD1 3.57Å
468	T	97.9	Very high	95.7	Very high	80 Å²	80	51.1 Å²	51.1	49%	0.491	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-43.5	177.7	-55.3	0	0	0	0	111.3	R464 A465 A466 E472 W496	R464-T468 WeakPolarHBondContact O-CB 3.26Å; R464-T468 PolarHBondContact O-N 3.17Å; R464-T468 PolarHBondContact O-OG1 3.24Å; A465-T468 WeakPolarHBondContact O-CB 3.32Å; A465-T468 PolarHBondContact O-N 3.39Å; A466-T468 VanDerWaalsContact C-N 3.3Å; A466-T468 PolarHBondContact O-N 2.84Å; T468-E472 PolarHBondContact O-N 3.46Å; T468-W496 WeakPolarHBondContact OG1-CH2 3.21Å
469	R	98	Very high	95.7	Very high	108 Å²	108	47.5 Å²	47.5	41%	0.408	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-46.2	175.4	-176.8	179	168.6	-150.3	-5.9	111.8	E422 W439 A465 A466 L471 E472 Y473	E422-R469 IonicContact OE1-CZ 3.93Å; E422-R469 IonicContact OE1-NH1 2.79Å; E422-R469 PolarHBondContact OE1-NH1 3.02Å; E422-R469 IonicContact OE1-NH2 3.77Å; E422-R469 PolarHBondContact OE1-NH2 3.5Å; E422-R469 IonicContact OE2-CZ 2.68Å; E422-R469 IonicContact OE2-NH1 3.01Å; E422-R469 IonicContact OE2-NH2 3.19Å; E422-R469 PolarHBondContact OE2-NH2 3.28Å; W439-R469 HydrophobicContact CH2-CB 4.34Å; W439-R469 HydrophobicContact CH2-CG 3.79Å; W439-R469 HydrophobicContact CZ2-CG 4.36Å; A465-R469 PolarHBondContact O-N 3.01Å; A466-R469 PolarHBondContact O-N 3.48Å; R469-L471 VanDerWaalsContact C-N 3.34Å; R469-L471 PolarHBondContact O-N 3.35Å; R469-E472 PolarHBondContact O-N 2.92Å; R469-E472 VanDerWaalsContact O-N 3.14Å; R469-Y473 WeakPolarHBondContact O-CB 3.5Å; R469-Y473 PolarHBondContact O-N 3.17Å
470	A	97.7	Very high	95.6	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.1	-45.3	178.6	0	0	0	0	0	112.1	W439 L443 A466 F467 E472 Y473 L474	W439-A470 HydrophobicContact CB-CB 4.4Å; W439-A470 HydrophobicContact CD2-CB 3.57Å; W439-A470 HydrophobicContact CE3-CB 3.41Å; W439-A470 VanDerWaalsContact CE3-CB 3.41Å; W439-A470 HydrophobicContact CG-CB 4.02Å; W439-A470 HydrophobicContact CH2-CB 4.49Å; W439-A470 HydrophobicContact CZ3-CB 3.9Å; L443-A470 HydrophobicContact CD1-CB 3.99Å; A466-A470 WeakPolarHBondContact O-CB 3.36Å; A466-A470 PolarHBondContact O-N 3.34Å; F467-A470 PolarHBondContact O-N 3.15Å; A470-E472 VanDerWaalsContact C-N 3.26Å; A470-E472 PolarHBondContact O-N 3.24Å; A470-Y473 PolarHBondContact O-N 3.24Å; A470-L474 WeakPolarHBondContact O-CG 3.4Å; A470-L474 PolarHBondContact O-N 3.08Å
471	L	95.9	Very high	95.4	Very high	18 Å²	18	57.7 Å²	57.7	9%	0.094	27%	0.274	C	S	.	.	H	α-helix	trans	-74.4	-12.5	179.5	-67	175.2	0	0	0	114.1	F467 R469 K475 I492 M493 W496	F467-L471 WeakPolarHBondContact O-CB 3.33Å; F467-L471 VanDerWaalsContact O-CG 3.32Å; F467-L471 WeakPolarHBondContact O-CG 3.13Å; F467-L471 PolarHBondContact O-N 2.92Å; R469-L471 VanDerWaalsContact C-N 3.34Å; R469-L471 PolarHBondContact O-N 3.35Å; L471-K475 WeakPolarHBondContact O-CE 3.35Å; L471-K475 WeakPolarHBondContact O-CG 3.26Å; L471-K475 PolarHBondContact O-NZ 3.25Å; L471-I492 HydrophobicContact CD2-CB 4.13Å; L471-I492 HydrophobicContact CD2-CG2 3.84Å; L471-I492 HydrophobicContact CG-CG2 4.21Å; L471-M493 HydrophobicContact CD1-CG 3.75Å; L471-M493 HydrophobicContact CD2-CG 3.48Å; L471-M493 VanDerWaalsContact CD2-CG 3.48Å; L471-M493 HydrophobicContact CD2-SD 4.28Å; L471-M493 HydrophobicContact CG-CG 4.29Å; L471-W496 HydrophobicContact CD1-CE3 3.77Å; L471-W496 HydrophobicContact CD1-CZ3 3.83Å
472	E	96.2	Very high	95.2	Very high	81 Å²	81	55.8 Å²	55.8	38%	0.379	26%	0.264	S	S	.	.	H	α-helix	trans	-90.7	-42.4	169.8	-160.5	64.1	-166.6	0	0	110.8	T468 R469 A470 L474 K475 Q476	T468-E472 PolarHBondContact O-N 3.46Å; R469-E472 PolarHBondContact O-N 2.92Å; R469-E472 VanDerWaalsContact O-N 3.14Å; A470-E472 VanDerWaalsContact C-N 3.26Å; A470-E472 PolarHBondContact O-N 3.24Å; E472-L474 VanDerWaalsContact C-N 3.27Å; E472-L474 PolarHBondContact O-N 3.5Å; E472-K475 WeakPolarHBondContact O-CA 3.3Å; E472-K475 WeakPolarHBondContact O-CB 3.36Å; E472-K475 PolarHBondContact O-N 3.42Å; E472-K475 IonicContact OE2-NZ 2.84Å; E472-K475 PolarHBondContact OE2-NZ 2.87Å; E472-Q476 PolarHBondContact O-N 2.95Å; E472-Q476 PolarHBondContact OE1-NE2 3.1Å
473	Y	96	Very high	94.9	Very high	30 Å²	30	60.8 Å²	60.8	12%	0.118	29%	0.292	C	S	.	.	H	α-helix	trans	-56.9	-38.6	175.6	-172.2	-86.9	0	0	0	112.8	L425 Y435 W439 R469 A470 K475 E477 V478	L425-Y473 HydrophobicContact CD2-CE1 4.3Å; Y435-Y473 AromaticContact CD1-CE1 3.66Å; Y435-Y473 HydrophobicContact CD1-CE1 3.66Å; Y435-Y473 HydrophobicContact CE1-CE1 4.15Å; Y435-Y473 WeakPolarHBondContact CE1-OH 3.49Å; Y435-Y473 HydrophobicContact CG-CE1 4.4Å; W439-Y473 HydrophobicContact CZ2-CD1 4.35Å; W439-Y473 HydrophobicContact CZ2-CD2 4.27Å; W439-Y473 AromaticContact CZ2-CG 3.93Å; W439-Y473 HydrophobicContact CZ2-CG 3.93Å; W439-Y473 AromaticContact NE1-CD1 3.12Å; W439-Y473 AromaticContact NE1-CE1 3.69Å; W439-Y473 AromaticContact NE1-CG 3.58Å; R469-Y473 WeakPolarHBondContact O-CB 3.5Å; R469-Y473 PolarHBondContact O-N 3.17Å; A470-Y473 PolarHBondContact O-N 3.24Å; Y473-K475 VanDerWaalsContact C-N 3.3Å; Y473-K475 PolarHBondContact O-N 3.37Å; Y473-E477 WeakPolarHBondContact CA-OE2 3.46Å; Y473-E477 HydrophobicContact CD2-CB 4.18Å; Y473-E477 HydrophobicContact CD2-CG 4.03Å; Y473-E477 WeakPolarHBondContact CD2-OE1 3.47Å; Y473-E477 WeakPolarHBondContact CD2-OE2 3.43Å; Y473-E477 HydrophobicContact CE1-CB 4.26Å; Y473-E477 HydrophobicContact CE2-CB 3.85Å; Y473-E477 HydrophobicContact CE2-CG 3.76Å; Y473-E477 WeakPolarHBondContact CE2-OE1 3.47Å; Y473-E477 PolarHBondContact O-N 3.07Å; Y473-V478 HydrophobicContact CD1-CG2 3.84Å; Y473-V478 HydrophobicContact CE1-CG2 3.67Å; Y473-V478 PolarHBondContact O-N 2.91Å
474	L	94.4	Very high	94.6	Very high	5 Å²	5	65.9 Å²	65.9	3%	0.026	32%	0.316	C	S	.	.	I	π-helix	trans	-67.5	-26.2	174.8	-70.1	176.1	0	0	0	113.6	V436 A470 E472 V478 E479 I492	V436-L474 HydrophobicContact CG2-CD1 4.14Å; V436-L474 HydrophobicContact CG2-CD2 3.72Å; A470-L474 WeakPolarHBondContact O-CG 3.4Å; A470-L474 PolarHBondContact O-N 3.08Å; E472-L474 VanDerWaalsContact C-N 3.27Å; E472-L474 PolarHBondContact O-N 3.5Å; L474-V478 HydrophobicContact CD2-CB 4.24Å; L474-V478 HydrophobicContact CD2-CG1 4.35Å; L474-V478 HydrophobicContact CD2-CG2 4Å; L474-E479 WeakPolarHBondContact O-CG 3.24Å; L474-E479 PolarHBondContact O-N 2.8Å; L474-I492 HydrophobicContact CD1-CD1 3.87Å
475	K	92.8	Very high	94.1	Very high	84 Å²	84	64.5 Å²	64.5	37%	0.365	31%	0.314	S	S	.	.	I	π-helix	trans	-89.9	-24.2	178.3	-62	178.4	-148.7	132.3	0	114.1	L471 E472 Y473	L471-K475 WeakPolarHBondContact O-CE 3.35Å; L471-K475 WeakPolarHBondContact O-CG 3.26Å; L471-K475 PolarHBondContact O-NZ 3.25Å; E472-K475 WeakPolarHBondContact O-CA 3.3Å; E472-K475 WeakPolarHBondContact O-CB 3.36Å; E472-K475 PolarHBondContact O-N 3.42Å; E472-K475 IonicContact OE2-NZ 2.84Å; E472-K475 PolarHBondContact OE2-NZ 2.87Å; Y473-K475 VanDerWaalsContact C-N 3.3Å; Y473-K475 PolarHBondContact O-N 3.37Å
476	Q	93.3	Very high	93.6	Very high	90 Å²	90	61.9 Å²	61.9	42%	0.421	29%	0.293	S	S	.	.	I	π-helix	trans	-100	-90.1	-179.9	-64	-176	25.1	0	0	107.7	E472 V478 E479 E480	E472-Q476 PolarHBondContact O-N 2.95Å; E472-Q476 PolarHBondContact OE1-NE2 3.1Å; Q476-V478 VanDerWaalsContact C-N 3.3Å; Q476-V478 PolarHBondContact O-N 3.44Å; Q476-V478 VanDerWaalsContact O-N 3.1Å; Q476-E479 PolarHBondContact O-N 3.44Å; Q476-E480 VanDerWaalsContact O-CB 3.25Å; Q476-E480 WeakPolarHBondContact O-CB 3.31Å; Q476-E480 VanDerWaalsContact O-CG 3.29Å; Q476-E480 WeakPolarHBondContact O-CG 3.3Å; Q476-E480 PolarHBondContact O-N 3.04Å
477	E	91.3	Very high	93.3	Very high	92 Å²	92	61.9 Å²	61.9	43%	0.43	29%	0.291	S	S	.	.	I	π-helix	trans	-56.4	-35	-171	-64.3	95.3	137.8	0	0	114.8	Y473 R481	Y473-E477 WeakPolarHBondContact CA-OE2 3.46Å; Y473-E477 HydrophobicContact CD2-CB 4.18Å; Y473-E477 HydrophobicContact CD2-CG 4.03Å; Y473-E477 WeakPolarHBondContact CD2-OE1 3.47Å; Y473-E477 WeakPolarHBondContact CD2-OE2 3.43Å; Y473-E477 HydrophobicContact CE1-CB 4.26Å; Y473-E477 HydrophobicContact CE2-CB 3.85Å; Y473-E477 HydrophobicContact CE2-CG 3.76Å; Y473-E477 WeakPolarHBondContact CE2-OE1 3.47Å; Y473-E477 PolarHBondContact O-N 3.07Å; E477-R481 VanDerWaalsContact O-CB 3.24Å; E477-R481 WeakPolarHBondContact O-CB 3.49Å; E477-R481 PolarHBondContact O-N 3.34Å
478	V	91.4	Very high	93	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.006	32%	0.317	C	S	.	.	I	π-helix	trans	-86.6	-47.4	-178.3	-175.7	0	0	0	0	112.5	A432 Y435 Y473 L474 Q476 E480 R481 F482	A432-V478 HydrophobicContact CB-CG1 3.59Å; Y435-V478 HydrophobicContact CD1-CG2 4.39Å; Y435-V478 HydrophobicContact CD2-CG2 4.31Å; Y435-V478 HydrophobicContact CG-CG2 3.93Å; Y473-V478 HydrophobicContact CD1-CG2 3.84Å; Y473-V478 HydrophobicContact CE1-CG2 3.67Å; Y473-V478 PolarHBondContact O-N 2.91Å; L474-V478 HydrophobicContact CD2-CB 4.24Å; L474-V478 HydrophobicContact CD2-CG1 4.35Å; L474-V478 HydrophobicContact CD2-CG2 4Å; Q476-V478 VanDerWaalsContact C-N 3.3Å; Q476-V478 PolarHBondContact O-N 3.44Å; Q476-V478 VanDerWaalsContact O-N 3.1Å; V478-E480 VanDerWaalsContact C-N 3.34Å; V478-E480 PolarHBondContact O-N 2.99Å; V478-R481 PolarHBondContact O-N 3.39Å; V478-F482 HydrophobicContact CG1-CD2 3.87Å; V478-F482 HydrophobicContact CG1-CE2 4.47Å; V478-F482 WeakPolarHBondContact O-CB 3.31Å; V478-F482 WeakPolarHBondContact O-CD2 3.45Å; V478-F482 PolarHBondContact O-N 3.5Å
479	E	92.3	Very high	92.7	Very high	68 Å²	68	64 Å²	64	32%	0.318	31%	0.308	S	S	.	.	H	α-helix	trans	-63.7	-36.1	175	-85.4	174.5	-139.8	0	0	111.9	L474 Q476 N483 S485	L474-E479 WeakPolarHBondContact O-CG 3.24Å; L474-E479 PolarHBondContact O-N 2.8Å; Q476-E479 PolarHBondContact O-N 3.44Å; E479-N483 WeakPolarHBondContact O-CA 3.43Å; E479-N483 PolarHBondContact O-N 3.04Å; E479-S485 VanDerWaalsContact OE1-CB 3.24Å; E479-S485 WeakPolarHBondContact OE1-CB 3.48Å; E479-S485 PolarHBondContact OE1-OG 2.78Å
480	E	93.8	Very high	92.5	Very high	155 Å²	155	59.1 Å²	59.1	72%	0.724	29%	0.29	S	S	*	.	H	α-helix	trans	-67.7	-38.1	174.9	-71.5	-179.4	-176.3	0	0	112.8	Q476 V478	Q476-E480 VanDerWaalsContact O-CB 3.25Å; Q476-E480 WeakPolarHBondContact O-CB 3.31Å; Q476-E480 VanDerWaalsContact O-CG 3.29Å; Q476-E480 WeakPolarHBondContact O-CG 3.3Å; Q476-E480 PolarHBondContact O-N 3.04Å; V478-E480 VanDerWaalsContact C-N 3.34Å; V478-E480 PolarHBondContact O-N 2.99Å
481	R	91.3	Very high	92.4	Very high	127 Å²	127	61 Å²	61	48%	0.479	30%	0.302	S	S	.	.	H	α-helix	trans	-78.6	-36.3	-179	-175.1	172.9	177.3	-140.4	-8.2	113.5	F429 Y435 E477 V478	F429-R481 VanDerWaalsContact O-CZ 3.27Å; F429-R481 PolarHBondContact O-NH1 3.28Å; F429-R481 PolarHBondContact O-NH2 2.93Å; Y435-R481 PolarHBondContact OH-NH1 2.75Å; E477-R481 VanDerWaalsContact O-CB 3.24Å; E477-R481 WeakPolarHBondContact O-CB 3.49Å; E477-R481 PolarHBondContact O-N 3.34Å; V478-R481 PolarHBondContact O-N 3.39Å
482	F	91.1	Very high	92.5	Very high	58 Å²	58	60.2 Å²	60.2	25%	0.254	30%	0.297	S	S	.	.	H	α-helix	trans	-114.2	-13.6	-171.3	-64.7	-76.6	0	0	0	114.7	I430 A432 Y435 V478 E484	I430-F482 WeakPolarHBondContact O-CE1 3.45Å; A432-F482 HydrophobicContact CB-CB 4.17Å; A432-F482 HydrophobicContact CB-CD2 3.97Å; A432-F482 HydrophobicContact CB-CG 4.07Å; Y435-F482 HydrophobicContact CD2-CE2 4.11Å; Y435-F482 AromaticContact CE2-CE2 3.92Å; Y435-F482 HydrophobicContact CE2-CE2 3.92Å; Y435-F482 HydrophobicContact CE2-CZ 4.31Å; V478-F482 HydrophobicContact CG1-CD2 3.87Å; V478-F482 HydrophobicContact CG1-CE2 4.47Å; V478-F482 WeakPolarHBondContact O-CB 3.31Å; V478-F482 WeakPolarHBondContact O-CD2 3.45Å; V478-F482 PolarHBondContact O-N 3.5Å; F482-E484 PolarHBondContact O-N 3.25Å
483	N	91.4	Very high	92.5	Very high	151 Å²	151	56.8 Å²	56.8	81%	0.807	28%	0.282	S	S	*	.	S	Bend	trans	58.3	21.3	-167.3	-57.4	-98.5	0	0	0	113.3	E479	E479-N483 WeakPolarHBondContact O-CA 3.43Å; E479-N483 PolarHBondContact O-N 3.04Å
484	E	91.6	Very high	92.5	Very high	108 Å²	108	56 Å²	56	51%	0.505	28%	0.279	S	S	.	.	S	Bend	trans	-142.9	140	178.4	-172.1	179.2	-173	0	0	110.4	F482 G486	F482-E484 PolarHBondContact O-N 3.25Å; E484-G486 PolarHBondContact O-N 3.37Å
485	S	85.8	Confident	92.6	Very high	22 Å²	22	58.2 Å²	58.2	15%	0.154	29%	0.291	C	S	.	.			trans	-70.7	-9.1	-179	-147.8	0	0	0	0	114.9	E479 D487	E479-S485 VanDerWaalsContact OE1-CB 3.24Å; E479-S485 WeakPolarHBondContact OE1-CB 3.48Å; E479-S485 PolarHBondContact OE1-OG 2.78Å; S485-D487 PolarHBondContact O-N 3.3Å
486	G	87.9	Confident	92.9	Very high	5 Å²	5	55.1 Å²	55.1	5%	0.052	28%	0.277	C	S	.	.	S	Bend	trans	67.6	-25.3	-172.2	0	0	0	0	0	115.5	E484 P488	E484-G486 PolarHBondContact O-N 3.37Å; G486-P488 WeakPolarHBondContact O-CD 3.34Å
487	D	91.9	Very high	93.1	Very high	11 Å²	11	50.9 Å²	50.9	6%	0.059	26%	0.257	C	S	.	.			trans	-122.7	72.1	-179.4	-170.7	2	0	0	0	112.6	V436 S485 S489 C490 V491 I492	V436-D487 HydrophobicContact CG1-CB 4.1Å; V436-D487 HydrophobicContact CG2-CB 3.89Å; S485-D487 PolarHBondContact O-N 3.3Å; D487-S489 PolarHBondContact O-N 3.35Å; D487-S489 VanDerWaalsContact O-N 3.16Å; D487-C490 VanDerWaalsContact CG-CA 3.4Å; D487-C490 PolarHBondContact O-N 2.91Å; D487-C490 VanDerWaalsContact OD1-CA 3.28Å; D487-C490 WeakPolarHBondContact OD1-CA 3.48Å; D487-C490 PolarHBondContact OD1-N 2.93Å; D487-C490 VanDerWaalsContact OD2-CA 3.3Å; D487-C490 WeakPolarHBondContact OD2-CA 3.48Å; D487-V491 WeakPolarHBondContact OD1-CG2 3.48Å; D487-V491 PolarHBondContact OD1-N 3.3Å; D487-V491 PolarHBondContact OD2-N 3.33Å; D487-I492 PolarHBondContact OD2-N 3.17Å
488	P	90.4	Very high	93.4	Very high	87 Å²	87	50 Å²	50	57%	0.565	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-29.6	-177.5	-25.4	34.8	0	0	0	114.2	G486 N522	G486-P488 WeakPolarHBondContact O-CD 3.34Å; P488-N522 PolarHBondContact O-ND2 2.92Å; P488-N522 PolarHBondContact O-OD1 2.92Å
489	S	91.7	Very high	93.6	Very high	43 Å²	43	50.7 Å²	50.7	30%	0.301	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.8	178.1	60.3	0	0	0	0	114.1	D487 V491 Q494	D487-S489 PolarHBondContact O-N 3.35Å; D487-S489 VanDerWaalsContact O-N 3.16Å; S489-V491 VanDerWaalsContact C-N 3.34Å; S489-V491 PolarHBondContact O-N 3.46Å; S489-V491 WeakPolarHBondContact OG-CG2 3.48Å; S489-Q494 PolarHBondContact O-NE2 2.81Å
490	C	94.8	Very high	93.7	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.041	24%	0.239	C	C	.	.			trans	55.4	42	178.7	-52.3	0	0	0	0	113.7	D487 I492 M493 Q494 I517 R520	D487-C490 VanDerWaalsContact CG-CA 3.4Å; D487-C490 PolarHBondContact O-N 2.91Å; D487-C490 VanDerWaalsContact OD1-CA 3.28Å; D487-C490 WeakPolarHBondContact OD1-CA 3.48Å; D487-C490 PolarHBondContact OD1-N 2.93Å; D487-C490 VanDerWaalsContact OD2-CA 3.3Å; D487-C490 WeakPolarHBondContact OD2-CA 3.48Å; C490-I492 PolarHBondContact O-N 2.99Å; C490-M493 HydrophobicContact CB-CB 4.12Å; C490-M493 HydrophobicContact CB-CG 4.14Å; C490-M493 HydrophobicContact CB-SD 4.11Å; C490-M493 CarbonylContact O-C 3.57Å; C490-M493 WeakPolarHBondContact O-CA 3.31Å; C490-M493 WeakPolarHBondContact O-CB 3.35Å; C490-M493 PolarHBondContact O-N 3.09Å; C490-Q494 WeakPolarHBondContact O-CG 3.42Å; C490-Q494 PolarHBondContact O-N 3.31Å; C490-I517 HydrophobicContact CB-CB 4.5Å; C490-I517 HydrophobicContact CB-CG1 3.86Å; C490-I517 HydrophobicContact CB-CG2 4.24Å; C490-R520 WeakPolarHBondContact SG-CD 3.35Å
491	V	95.9	Very high	93.8	Very high	39 Å²	39	40.3 Å²	40.3	24%	0.236	21%	0.205	C	C	.	.	H	α-helix	trans	-49.6	-38.8	175.6	-176.6	0	0	0	0	112.6	D487 S489 M493 Q494 N495	D487-V491 WeakPolarHBondContact OD1-CG2 3.48Å; D487-V491 PolarHBondContact OD1-N 3.3Å; D487-V491 PolarHBondContact OD2-N 3.33Å; S489-V491 VanDerWaalsContact C-N 3.34Å; S489-V491 PolarHBondContact O-N 3.46Å; S489-V491 WeakPolarHBondContact OG-CG2 3.48Å; V491-M493 VanDerWaalsContact C-N 3.33Å; V491-M493 PolarHBondContact O-N 3.33Å; V491-Q494 PolarHBondContact O-N 3.1Å; V491-N495 WeakPolarHBondContact O-CB 3.29Å; V491-N495 VanDerWaalsContact O-CG 3.3Å; V491-N495 PolarHBondContact O-N 3.27Å
492	I	96.6	Very high	94	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-42.7	175.3	-63.5	-167.8	0	0	0	110.8	V436 W439 Q440 L443 F467 L471 L474 D487 C490 N495 W496	V436-I492 HydrophobicContact CG1-CD1 4.3Å; V436-I492 HydrophobicContact CG1-CG1 4.36Å; W439-I492 HydrophobicContact CB-CD1 3.97Å; Q440-I492 HydrophobicContact CG-CD1 4.15Å; Q440-I492 HydrophobicContact CG-CG1 3.77Å; L443-I492 HydrophobicContact CD1-CD1 4.37Å; L443-I492 HydrophobicContact CD1-CG2 3.88Å; F467-I492 HydrophobicContact CD1-CG2 3.84Å; F467-I492 HydrophobicContact CE1-CG2 4.05Å; L471-I492 HydrophobicContact CD2-CB 4.13Å; L471-I492 HydrophobicContact CD2-CG2 3.84Å; L471-I492 HydrophobicContact CG-CG2 4.21Å; L474-I492 HydrophobicContact CD1-CD1 3.87Å; D487-I492 PolarHBondContact OD2-N 3.17Å; C490-I492 PolarHBondContact O-N 2.99Å; I492-N495 PolarHBondContact O-N 2.91Å; I492-W496 PolarHBondContact O-N 2.9Å
493	M	96.7	Very high	94.1	Very high	10 Å²	10	42 Å²	42	5%	0.049	21%	0.214	C	C	.	.	H	α-helix	trans	-69.1	-37.8	176.8	-57.2	-173.5	66.8	0	0	111.9	L471 C490 V491 W496 A497 L513 I517	L471-M493 HydrophobicContact CD1-CG 3.75Å; L471-M493 HydrophobicContact CD2-CG 3.48Å; L471-M493 VanDerWaalsContact CD2-CG 3.48Å; L471-M493 HydrophobicContact CD2-SD 4.28Å; L471-M493 HydrophobicContact CG-CG 4.29Å; C490-M493 HydrophobicContact CB-CB 4.12Å; C490-M493 HydrophobicContact CB-CG 4.14Å; C490-M493 HydrophobicContact CB-SD 4.11Å; C490-M493 CarbonylContact O-C 3.57Å; C490-M493 WeakPolarHBondContact O-CA 3.31Å; C490-M493 WeakPolarHBondContact O-CB 3.35Å; C490-M493 PolarHBondContact O-N 3.09Å; V491-M493 VanDerWaalsContact C-N 3.33Å; V491-M493 PolarHBondContact O-N 3.33Å; M493-W496 PolarHBondContact O-N 2.89Å; M493-A497 WeakPolarHBondContact O-CB 3.49Å; M493-A497 PolarHBondContact O-N 2.73Å; M493-L513 HydrophobicContact CE-CD2 3.75Å; M493-I517 HydrophobicContact CB-CD1 3.69Å; M493-I517 HydrophobicContact CB-CG1 3.69Å; M493-I517 HydrophobicContact CE-CG1 4.34Å; M493-I517 HydrophobicContact SD-CG1 4.21Å
494	Q	96.3	Very high	94.1	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.056	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-44	173.3	-62.3	176.9	29.2	0	0	111.1	S489 C490 V491 A497 R498 W514 I517	S489-Q494 PolarHBondContact O-NE2 2.81Å; C490-Q494 WeakPolarHBondContact O-CG 3.42Å; C490-Q494 PolarHBondContact O-N 3.31Å; V491-Q494 PolarHBondContact O-N 3.1Å; Q494-A497 PolarHBondContact O-N 3.41Å; Q494-R498 WeakPolarHBondContact O-CB 3.3Å; Q494-R498 VanDerWaalsContact O-CG 3.26Å; Q494-R498 WeakPolarHBondContact O-CG 3.41Å; Q494-R498 PolarHBondContact O-N 3.02Å; Q494-W514 HydrophobicContact CG-CH2 3.89Å; Q494-W514 HydrophobicContact CG-CZ2 4.16Å; Q494-W514 HydrophobicContact CG-CZ3 4.48Å; Q494-I517 HydrophobicContact CG-CD1 3.97Å
495	N	97.3	Very high	94.2	Very high	53 Å²	53	38 Å²	38	28%	0.283	20%	0.199	S	C	.	.	H	α-helix	trans	-65.4	-42.4	178.9	-73.7	-13.3	0	0	0	111.4	V491 I492 R498 I499	V491-N495 WeakPolarHBondContact O-CB 3.29Å; V491-N495 VanDerWaalsContact O-CG 3.3Å; V491-N495 PolarHBondContact O-N 3.27Å; I492-N495 PolarHBondContact O-N 2.91Å; N495-R498 PolarHBondContact O-N 2.82Å; N495-R498 PolarHBondContact OD1-NH1 2.88Å; N495-I499 WeakPolarHBondContact O-CD1 3.15Å; N495-I499 VanDerWaalsContact O-CG1 3.26Å; N495-I499 WeakPolarHBondContact O-CG1 3.44Å; N495-I499 PolarHBondContact O-N 2.88Å
496	W	98	Very high	94.6	Very high	19 Å²	19	39.4 Å²	39.4	7%	0.072	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-45.4	173	-167.9	10	0	0	0	111.7	R464 F467 T468 L471 I492 M493 R498 I499 E500 L513	R464-W496 HydrophobicContact CG-CZ2 4.49Å; F467-W496 HydrophobicContact CB-CD2 3.63Å; F467-W496 HydrophobicContact CB-CE3 3.68Å; F467-W496 HydrophobicContact CB-CG 4.13Å; F467-W496 HydrophobicContact CB-CH2 4.19Å; F467-W496 HydrophobicContact CB-CZ2 4.18Å; F467-W496 HydrophobicContact CB-CZ3 3.96Å; F467-W496 HydrophobicContact CD1-CB 3.76Å; F467-W496 HydrophobicContact CD1-CD2 4.28Å; F467-W496 HydrophobicContact CD1-CE3 4.5Å; F467-W496 AromaticContact CD1-CG 3.99Å; F467-W496 HydrophobicContact CD1-CG 3.99Å; F467-W496 HydrophobicContact CD2-CB 4.17Å; F467-W496 AromaticContact CD2-CD1 3.62Å; F467-W496 HydrophobicContact CD2-CD2 4.07Å; F467-W496 AromaticContact CD2-CG 3.71Å; F467-W496 HydrophobicContact CD2-CG 3.71Å; F467-W496 AromaticContact CD2-NE1 3.97Å; F467-W496 HydrophobicContact CE1-CB 3.75Å; F467-W496 HydrophobicContact CE1-CG 4.32Å; F467-W496 HydrophobicContact CE2-CB 4.16Å; F467-W496 AromaticContact CE2-CD1 3.88Å; F467-W496 HydrophobicContact CE2-CG 4.06Å; F467-W496 HydrophobicContact CG-CB 3.99Å; F467-W496 AromaticContact CG-CD2 3.76Å; F467-W496 HydrophobicContact CG-CD2 3.76Å; F467-W496 HydrophobicContact CG-CE3 4.16Å; F467-W496 AromaticContact CG-CG 3.69Å; F467-W496 HydrophobicContact CG-CG 3.69Å; F467-W496 HydrophobicContact CZ-CB 3.97Å; F467-W496 HydrophobicContact CZ-CG 4.37Å; T468-W496 WeakPolarHBondContact OG1-CH2 3.21Å; L471-W496 HydrophobicContact CD1-CE3 3.77Å; L471-W496 HydrophobicContact CD1-CZ3 3.83Å; I492-W496 PolarHBondContact O-N 2.9Å; M493-W496 PolarHBondContact O-N 2.89Å; W496-R498 PolarHBondContact O-N 3.14Å; W496-I499 PolarHBondContact O-N 3.01Å; W496-I499 VanDerWaalsContact O-N 3.16Å; W496-E500 PolarHBondContact NE1-OE1 3.28Å; W496-E500 WeakPolarHBondContact O-CG 3.14Å; W496-E500 PolarHBondContact O-N 2.74Å; W496-L513 HydrophobicContact CB-CD1 3.93Å; W496-L513 HydrophobicContact CD2-CD1 3.81Å; W496-L513 HydrophobicContact CD2-CD2 4.3Å; W496-L513 HydrophobicContact CE3-CD1 4.03Å; W496-L513 HydrophobicContact CE3-CD2 3.65Å; W496-L513 HydrophobicContact CE3-CG 4.49Å; W496-L513 HydrophobicContact CG-CD1 3.77Å; W496-L513 HydrophobicContact CZ3-CD2 4.04Å
497	A	97.4	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-40.3	177.3	0	0	0	0	0	112.6	M493 Q494 A501 A510 L513 L535	M493-A497 WeakPolarHBondContact O-CB 3.49Å; M493-A497 PolarHBondContact O-N 2.73Å; Q494-A497 PolarHBondContact O-N 3.41Å; A497-A501 VanDerWaalsContact O-CB 3.32Å; A497-A501 WeakPolarHBondContact O-CB 3.41Å; A497-A501 PolarHBondContact O-N 2.69Å; A497-A501 VanDerWaalsContact O-N 3.07Å; A497-A510 HydrophobicContact CB-CB 4.12Å; A497-L513 HydrophobicContact CB-CB 4.05Å; A497-L513 HydrophobicContact CB-CD1 3.99Å; A497-L535 HydrophobicContact CB-CD2 4.24Å
498	R	97	Very high	95.1	Very high	75 Å²	75	46 Å²	46	28%	0.283	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-42.4	173.2	-73.4	171.3	-171.8	119.7	7.5	111.5	Q494 N495 W496 R502 E531 L535	Q494-R498 WeakPolarHBondContact O-CB 3.3Å; Q494-R498 VanDerWaalsContact O-CG 3.26Å; Q494-R498 WeakPolarHBondContact O-CG 3.41Å; Q494-R498 PolarHBondContact O-N 3.02Å; N495-R498 PolarHBondContact O-N 2.82Å; N495-R498 PolarHBondContact OD1-NH1 2.88Å; W496-R498 PolarHBondContact O-N 3.14Å; R498-R502 WeakPolarHBondContact O-CB 3.48Å; R498-R502 PolarHBondContact O-N 3.11Å; R498-E531 IonicContact CZ-OE2 3.13Å; R498-E531 IonicContact NE-OE2 3.31Å; R498-E531 IonicContact NH2-OE2 3.99Å; R498-E531 PolarHBondContact NH2-OE2 2.88Å; R498-L535 HydrophobicContact CG-CD1 4.32Å
499	I	95.8	Very high	95.3	Very high	15 Å²	15	44.8 Å²	44.8	8%	0.077	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-53.1	178.5	-68.2	157.9	0	0	0	110.9	R447 F452 L463 F467 N495 W496 A501 R502 L503 C504	R447-I499 HydrophobicContact CG-CD1 3.88Å; R447-I499 HydrophobicContact CG-CG1 4.27Å; F452-I499 HydrophobicContact CE1-CG2 3.83Å; F452-I499 HydrophobicContact CZ-CG2 4.15Å; L463-I499 HydrophobicContact CD2-CG2 4.46Å; F467-I499 HydrophobicContact CE2-CD1 3.74Å; F467-I499 HydrophobicContact CZ-CD1 3.57Å; N495-I499 WeakPolarHBondContact O-CD1 3.15Å; N495-I499 VanDerWaalsContact O-CG1 3.26Å; N495-I499 WeakPolarHBondContact O-CG1 3.44Å; N495-I499 PolarHBondContact O-N 2.88Å; W496-I499 PolarHBondContact O-N 3.01Å; W496-I499 VanDerWaalsContact O-N 3.16Å; I499-A501 PolarHBondContact O-N 2.87Å; I499-R502 PolarHBondContact O-N 3.47Å; I499-L503 HydrophobicContact CG2-CD1 4.36Å; I499-L503 WeakPolarHBondContact O-CA 3.44Å; I499-L503 WeakPolarHBondContact O-CB 3.26Å; I499-L503 PolarHBondContact O-N 2.88Å; I499-C504 PolarHBondContact O-N 3.09Å
500	E	95.6	Very high	95.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-45	-177.1	-68.5	-70.3	170.7	0	0	111.7	R464 W496 C504 N505 N506 K509	R464-E500 WeakPolarHBondContact CG-OE1 3.41Å; R464-E500 IonicContact CZ-OE1 3.5Å; R464-E500 IonicContact CZ-OE2 3.57Å; R464-E500 IonicContact NE-OE1 2.71Å; R464-E500 PolarHBondContact NE-OE1 3.35Å; R464-E500 IonicContact NE-OE2 3.56Å; R464-E500 IonicContact NH2-OE1 3.45Å; R464-E500 IonicContact NH2-OE2 2.74Å; R464-E500 PolarHBondContact NH2-OE2 2.93Å; W496-E500 PolarHBondContact NE1-OE1 3.28Å; W496-E500 WeakPolarHBondContact O-CG 3.14Å; W496-E500 PolarHBondContact O-N 2.74Å; E500-C504 CarbonylContact O-C 3.54Å; E500-C504 WeakPolarHBondContact O-CA 3.44Å; E500-C504 WeakPolarHBondContact O-CB 3.22Å; E500-C504 PolarHBondContact O-N 2.83Å; E500-N505 PolarHBondContact O-N 2.86Å; E500-N505 VanDerWaalsContact O-N 3.17Å; E500-N506 HydrophobicContact CB-CB 4.21Å; E500-N506 PolarHBondContact O-N 3.49Å; E500-N506 WeakPolarHBondContact OE2-CB 3.25Å; E500-N506 PolarHBondContact OE2-ND2 3.02Å; E500-N506 VanDerWaalsContact OE2-ND2 3.09Å; E500-K509 HydrophobicContact CB-CB 4.32Å; E500-K509 HydrophobicContact CG-CB 4.29Å; E500-K509 HydrophobicContact CG-CG 4.12Å
501	A	95.3	Very high	95.6	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-67.5	-52.7	177.2	0	0	0	0	0	113	A497 I499 M507 A510 L535 H539	A497-A501 VanDerWaalsContact O-CB 3.32Å; A497-A501 WeakPolarHBondContact O-CB 3.41Å; A497-A501 PolarHBondContact O-N 2.69Å; A497-A501 VanDerWaalsContact O-N 3.07Å; I499-A501 PolarHBondContact O-N 2.87Å; A501-M507 HydrophobicContact CB-SD 3.52Å; A501-M507 VanDerWaalsContact CB-SD 3.52Å; A501-A510 HydrophobicContact CB-CB 3.84Å; A501-L535 HydrophobicContact CB-CD1 4Å; A501-L535 HydrophobicContact CB-CD2 4.12Å; A501-L535 HydrophobicContact CB-CG 4.06Å; A501-H539 HydrophobicContact CB-CB 4.15Å
502	R	95.7	Very high	95.7	Very high	157 Å²	157	47.5 Å²	47.5	59%	0.592	22%	0.222	S	C	*	.	H	α-helix	trans	-79.7	-31.6	-169	-176	177.2	-176.6	86.2	5.9	114	R498 I499 H539	R498-R502 WeakPolarHBondContact O-CB 3.48Å; R498-R502 PolarHBondContact O-N 3.11Å; I499-R502 PolarHBondContact O-N 3.47Å; R502-H539 PolarHBondContact NH1-NE2 3.36Å
503	L	93.9	Very high	95.7	Very high	65 Å²	65	47.9 Å²	47.9	34%	0.34	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-32.9	-168.7	-53.8	177.9	0	0	0	112.5	F452 I499	F452-L503 HydrophobicContact CB-CB 4.09Å; F452-L503 HydrophobicContact CD1-CB 3.44Å; F452-L503 VanDerWaalsContact CD1-CB 3.44Å; F452-L503 HydrophobicContact CD1-CD1 4.13Å; F452-L503 HydrophobicContact CD1-CG 4.4Å; F452-L503 HydrophobicContact CD2-CB 4.47Å; F452-L503 HydrophobicContact CD2-CD1 4Å; F452-L503 HydrophobicContact CE1-CB 3.91Å; F452-L503 HydrophobicContact CE1-CD1 4.01Å; F452-L503 HydrophobicContact CE2-CD1 3.87Å; F452-L503 HydrophobicContact CG-CB 3.76Å; F452-L503 HydrophobicContact CG-CD1 4.12Å; F452-L503 HydrophobicContact CG-CG 4.43Å; F452-L503 HydrophobicContact CZ-CD1 3.88Å; I499-L503 HydrophobicContact CG2-CD1 4.36Å; I499-L503 WeakPolarHBondContact O-CA 3.44Å; I499-L503 WeakPolarHBondContact O-CB 3.26Å; I499-L503 PolarHBondContact O-N 2.88Å
504	C	91.5	Very high	95.7	Very high	31 Å²	31	47.5 Å²	47.5	21%	0.209	22%	0.222	C	C	.	.	S	Bend	trans	-100.7	1.3	179.9	-45.9	0	0	0	0	113.8	I499 E500 N506	I499-C504 PolarHBondContact O-N 3.09Å; E500-C504 CarbonylContact O-C 3.54Å; E500-C504 WeakPolarHBondContact O-CA 3.44Å; E500-C504 WeakPolarHBondContact O-CB 3.22Å; E500-C504 PolarHBondContact O-N 2.83Å; C504-N506 HydrophobicContact CB-CB 4.2Å; C504-N506 PolarHBondContact O-N 2.69Å
505	N	92.1	Very high	95.7	Very high	144 Å²	144	49.8 Å²	49.8	77%	0.77	24%	0.235	S	C	*	.			trans	51.7	22.8	-173	-162.6	28.8	0	0	0	114.5	E500 M507	E500-N505 PolarHBondContact O-N 2.86Å; E500-N505 VanDerWaalsContact O-N 3.17Å; N505-M507 PolarHBondContact O-N 3.44Å
506	N	94.3	Very high	95.6	Very high	51 Å²	51	49.7 Å²	49.7	27%	0.273	24%	0.238	S	C	.	.			trans	-100.3	64.8	-172.4	-174.8	2.9	0	0	0	110.6	E500 C504 Q508 K509 A510	E500-N506 HydrophobicContact CB-CB 4.21Å; E500-N506 PolarHBondContact O-N 3.49Å; E500-N506 WeakPolarHBondContact OE2-CB 3.25Å; E500-N506 PolarHBondContact OE2-ND2 3.02Å; E500-N506 VanDerWaalsContact OE2-ND2 3.09Å; C504-N506 HydrophobicContact CB-CB 4.2Å; C504-N506 PolarHBondContact O-N 2.69Å; N506-Q508 PolarHBondContact O-N 3.1Å; N506-K509 VanDerWaalsContact ND2-CB 3.34Å; N506-K509 WeakPolarHBondContact ND2-CB 3.32Å; N506-K509 PolarHBondContact O-N 3.38Å; N506-K509 VanDerWaalsContact O-N 3.1Å; N506-K509 WeakPolarHBondContact OD1-CB 3.15Å; N506-K509 PolarHBondContact OD1-N 3.42Å; N506-A510 PolarHBondContact O-N 3.31Å
507	M	95.6	Very high	95.5	Very high	18 Å²	18	48.8 Å²	48.8	9%	0.089	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-26.2	-177	-164.1	59.5	-173.6	0	0	112.8	A501 N505 K509 A510 R511 L535 E536 H539	A501-M507 HydrophobicContact CB-SD 3.52Å; A501-M507 VanDerWaalsContact CB-SD 3.52Å; N505-M507 PolarHBondContact O-N 3.44Å; M507-K509 PolarHBondContact O-N 2.61Å; M507-A510 PolarHBondContact O-N 2.82Å; M507-A510 HydrophobicContact SD-CB 4.07Å; M507-R511 VanDerWaalsContact O-CG 3.31Å; M507-R511 WeakPolarHBondContact O-CG 3.4Å; M507-R511 PolarHBondContact O-N 3.13Å; M507-L535 HydrophobicContact CE-CG 4.45Å; M507-E536 HydrophobicContact CE-CB 4.29Å; M507-E536 HydrophobicContact CE-CG 3.78Å; M507-E536 WeakPolarHBondContact CE-OE1 3.46Å; M507-E536 WeakPolarHBondContact CE-OE2 3.46Å; M507-H539 HydrophobicContact SD-CB 4.18Å
508	Q	95.6	Very high	95.3	Very high	137 Å²	137	49.1 Å²	49.1	64%	0.64	24%	0.236	S	C	*	.	H	α-helix	trans	-59.7	-46	171.7	-179.3	178.1	-30.7	0	0	111.2	N506 A510 R511 E512	N506-Q508 PolarHBondContact O-N 3.1Å; Q508-A510 VanDerWaalsContact C-N 3.33Å; Q508-A510 PolarHBondContact O-N 3.38Å; Q508-R511 WeakPolarHBondContact O-CB 3.37Å; Q508-R511 PolarHBondContact O-N 3Å; Q508-E512 PolarHBondContact NE2-OE1 3.06Å; Q508-E512 PolarHBondContact O-N 3.24Å
509	K	95.1	Very high	95.2	Very high	61 Å²	61	51.3 Å²	51.3	27%	0.265	26%	0.258	S	S	.	.	H	α-helix	trans	-68.1	-34.9	-179.4	-168.4	56.4	175.1	-177.2	0	112.6	E500 N506 M507 E512 L513	E500-K509 HydrophobicContact CB-CB 4.32Å; E500-K509 HydrophobicContact CG-CB 4.29Å; E500-K509 HydrophobicContact CG-CG 4.12Å; N506-K509 VanDerWaalsContact ND2-CB 3.34Å; N506-K509 WeakPolarHBondContact ND2-CB 3.32Å; N506-K509 PolarHBondContact O-N 3.38Å; N506-K509 VanDerWaalsContact O-N 3.1Å; N506-K509 WeakPolarHBondContact OD1-CB 3.15Å; N506-K509 PolarHBondContact OD1-N 3.42Å; M507-K509 PolarHBondContact O-N 2.61Å; K509-E512 HydrophobicContact CD-CB 4.42Å; K509-E512 VanDerWaalsContact CD-OE2 3.23Å; K509-E512 WeakPolarHBondContact CD-OE2 3.41Å; K509-E512 IonicContact NZ-OE2 3.25Å; K509-E512 PolarHBondContact NZ-OE2 2.91Å; K509-E512 PolarHBondContact O-N 2.79Å; K509-L513 HydrophobicContact CG-CD1 4.35Å; K509-L513 VanDerWaalsContact O-CG 3.31Å; K509-L513 WeakPolarHBondContact O-CG 3.33Å; K509-L513 PolarHBondContact O-N 2.69Å
510	A	96.4	Very high	95	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-41.9	172.3	0	0	0	0	0	112.2	A497 A501 N506 M507 Q508 L513 W514 L535	A497-A510 HydrophobicContact CB-CB 4.12Å; A501-A510 HydrophobicContact CB-CB 3.84Å; N506-A510 PolarHBondContact O-N 3.31Å; M507-A510 PolarHBondContact O-N 2.82Å; M507-A510 HydrophobicContact SD-CB 4.07Å; Q508-A510 VanDerWaalsContact C-N 3.33Å; Q508-A510 PolarHBondContact O-N 3.38Å; A510-L513 PolarHBondContact O-N 2.95Å; A510-W514 VanDerWaalsContact O-CD1 3.28Å; A510-W514 PolarHBondContact O-N 2.79Å; A510-L535 HydrophobicContact CB-CD2 4.12Å
511	R	96.2	Very high	94.8	Very high	55 Å²	55	57.1 Å²	57.1	21%	0.208	29%	0.29	C	S	.	.	H	α-helix	trans	-61.4	-47.2	175.1	-71.4	164.9	176.5	173.2	-0.2	112	M507 Q508 L513 W514 D515 E536 D541 H544	M507-R511 VanDerWaalsContact O-CG 3.31Å; M507-R511 WeakPolarHBondContact O-CG 3.4Å; M507-R511 PolarHBondContact O-N 3.13Å; Q508-R511 WeakPolarHBondContact O-CB 3.37Å; Q508-R511 PolarHBondContact O-N 3Å; R511-L513 VanDerWaalsContact C-N 3.33Å; R511-L513 PolarHBondContact O-N 2.95Å; R511-W514 PolarHBondContact O-N 3.38Å; R511-D515 PolarHBondContact O-N 2.98Å; R511-E536 VanDerWaalsContact CG-OE1 3.27Å; R511-E536 WeakPolarHBondContact CG-OE1 3.3Å; R511-E536 IonicContact CZ-OE1 3.23Å; R511-E536 IonicContact CZ-OE2 3.78Å; R511-E536 IonicContact NE-OE1 3.2Å; R511-E536 PolarHBondContact NE-OE1 3.16Å; R511-E536 IonicContact NE-OE2 3.36Å; R511-E536 IonicContact NH2-OE1 3.76Å; R511-E536 PolarHBondContact NH2-OE1 2.83Å; R511-E536 IonicContact NH2-OE2 2.69Å; R511-E536 PolarHBondContact NH2-OE2 2.84Å; R511-D541 IonicContact CZ-OD2 2.78Å; R511-D541 IonicContact NH1-OD2 2.62Å; R511-D541 IonicContact NH2-OD2 2.69Å; R511-D541 PolarHBondContact NH2-OD2 3Å; R511-H544 VanDerWaalsContact NH2-CG 3.3Å; R511-H544 PolarHBondContact NH2-ND1 3.23Å
512	E	96.8	Very high	94.8	Very high	89 Å²	89	57.5 Å²	57.5	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-56.6	-44.5	174.9	-70.9	174.2	-160.2	0	0	112.7	Q508 K509 S516	Q508-E512 PolarHBondContact NE2-OE1 3.06Å; Q508-E512 PolarHBondContact O-N 3.24Å; K509-E512 HydrophobicContact CD-CB 4.42Å; K509-E512 VanDerWaalsContact CD-OE2 3.23Å; K509-E512 WeakPolarHBondContact CD-OE2 3.41Å; K509-E512 IonicContact NZ-OE2 3.25Å; K509-E512 PolarHBondContact NZ-OE2 2.91Å; K509-E512 PolarHBondContact O-N 2.79Å; E512-S516 PolarHBondContact O-N 2.87Å
513	L	96.4	Very high	94.7	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-65	-45	178.2	-71.3	167.7	0	0	0	111.2	M493 W496 A497 K509 A510 R511 S516 I517	M493-L513 HydrophobicContact CE-CD2 3.75Å; W496-L513 HydrophobicContact CB-CD1 3.93Å; W496-L513 HydrophobicContact CD2-CD1 3.81Å; W496-L513 HydrophobicContact CD2-CD2 4.3Å; W496-L513 HydrophobicContact CE3-CD1 4.03Å; W496-L513 HydrophobicContact CE3-CD2 3.65Å; W496-L513 HydrophobicContact CE3-CG 4.49Å; W496-L513 HydrophobicContact CG-CD1 3.77Å; W496-L513 HydrophobicContact CZ3-CD2 4.04Å; A497-L513 HydrophobicContact CB-CB 4.05Å; A497-L513 HydrophobicContact CB-CD1 3.99Å; K509-L513 HydrophobicContact CG-CD1 4.35Å; K509-L513 VanDerWaalsContact O-CG 3.31Å; K509-L513 WeakPolarHBondContact O-CG 3.33Å; K509-L513 PolarHBondContact O-N 2.69Å; A510-L513 PolarHBondContact O-N 2.95Å; R511-L513 VanDerWaalsContact C-N 3.33Å; R511-L513 PolarHBondContact O-N 2.95Å; L513-S516 WeakPolarHBondContact O-CB 3.45Å; L513-S516 PolarHBondContact O-N 2.96Å; L513-I517 VanDerWaalsContact O-CG1 3.29Å; L513-I517 WeakPolarHBondContact O-CG1 3.4Å; L513-I517 PolarHBondContact O-N 2.9Å
514	W	96.9	Very high	94.8	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-40.1	179.6	-86	110.1	0	0	0	113.9	Q494 A510 R511 S516 I517 M518 M528 E531 Y532 L535	Q494-W514 HydrophobicContact CG-CH2 3.89Å; Q494-W514 HydrophobicContact CG-CZ2 4.16Å; Q494-W514 HydrophobicContact CG-CZ3 4.48Å; A510-W514 VanDerWaalsContact O-CD1 3.28Å; A510-W514 PolarHBondContact O-N 2.79Å; R511-W514 PolarHBondContact O-N 3.38Å; W514-S516 PolarHBondContact O-N 3.06Å; W514-I517 HydrophobicContact CD2-CD1 3.98Å; W514-I517 HydrophobicContact CE3-CB 4.17Å; W514-I517 HydrophobicContact CE3-CD1 3.82Å; W514-I517 HydrophobicContact CE3-CG2 4.09Å; W514-I517 HydrophobicContact CG-CD1 4.48Å; W514-I517 HydrophobicContact CZ3-CD1 4.19Å; W514-I517 HydrophobicContact CZ3-CG2 4.05Å; W514-I517 PolarHBondContact O-N 3.05Å; W514-M518 HydrophobicContact CE3-CE 4.09Å; W514-M518 HydrophobicContact CZ3-CE 4.22Å; W514-M518 WeakPolarHBondContact O-CB 3.45Å; W514-M518 VanDerWaalsContact O-CG 3.24Å; W514-M518 WeakPolarHBondContact O-CG 3.29Å; W514-M518 PolarHBondContact O-N 3.01Å; W514-M528 WeakPolarHBondContact CZ3-O 3.42Å; W514-E531 HydrophobicContact CH2-CB 3.64Å; W514-E531 HydrophobicContact CZ2-CB 4.01Å; W514-Y532 HydrophobicContact CB-CD2 3.6Å; W514-Y532 HydrophobicContact CB-CE2 3.67Å; W514-Y532 HydrophobicContact CB-CG 4.11Å; W514-Y532 AromaticContact CD1-CD2 3.42Å; W514-Y532 VanDerWaalsContact CD1-CD2 3.42Å; W514-Y532 AromaticContact CD1-CE2 3.89Å; W514-Y532 AromaticContact CD2-CD2 3.79Å; W514-Y532 HydrophobicContact CD2-CD2 3.79Å; W514-Y532 AromaticContact CD2-CG 3.98Å; W514-Y532 HydrophobicContact CD2-CG 3.98Å; W514-Y532 HydrophobicContact CE3-CG 4.32Å; W514-Y532 AromaticContact CG-CD2 3.31Å; W514-Y532 HydrophobicContact CG-CD2 3.31Å; W514-Y532 AromaticContact CG-CE2 3.83Å; W514-Y532 HydrophobicContact CG-CE2 3.83Å; W514-Y532 AromaticContact CG-CG 3.9Å; W514-Y532 HydrophobicContact CG-CG 3.9Å; W514-Y532 AromaticContact NE1-CD2 3.91Å; W514-L535 VanDerWaalsContact NE1-CD2 3.34Å
515	D	95.8	Very high	95	Very high	61 Å²	61	55.5 Å²	55.5	33%	0.326	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-33.3	172.9	-87.9	-39.7	0	0	0	111.7	R511 T519 R551	R511-D515 PolarHBondContact O-N 2.98Å; D515-T519 WeakPolarHBondContact O-CB 3.46Å; D515-T519 PolarHBondContact O-N 2.84Å; D515-T519 PolarHBondContact O-OG1 3.29Å; D515-R551 IonicContact OD1-CZ 2.73Å; D515-R551 IonicContact OD1-NH1 3.15Å; D515-R551 PolarHBondContact OD1-NH1 2.94Å; D515-R551 IonicContact OD1-NH2 3.18Å; D515-R551 PolarHBondContact OD1-NH2 2.79Å; D515-R551 IonicContact OD2-NH1 3.75Å
516	S	95.6	Very high	95.2	Very high	50 Å²	50	48.8 Å²	48.8	35%	0.35	25%	0.248	S	C	.	.	H	α-helix	trans	-68.6	-44.6	172.4	-170.3	0	0	0	0	112.9	E512 L513 W514 M518 T519 R520	E512-S516 PolarHBondContact O-N 2.87Å; L513-S516 WeakPolarHBondContact O-CB 3.45Å; L513-S516 PolarHBondContact O-N 2.96Å; W514-S516 PolarHBondContact O-N 3.06Å; S516-M518 VanDerWaalsContact C-N 3.34Å; S516-M518 PolarHBondContact O-N 2.85Å; S516-T519 PolarHBondContact O-N 2.85Å; S516-R520 PolarHBondContact O-N 2.85Å
517	I	95.9	Very high	95.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-55.9	-49.4	174	-66.5	165.9	0	0	0	110.3	C490 M493 Q494 L513 W514 T519 R520 N522	C490-I517 HydrophobicContact CB-CB 4.5Å; C490-I517 HydrophobicContact CB-CG1 3.86Å; C490-I517 HydrophobicContact CB-CG2 4.24Å; M493-I517 HydrophobicContact CB-CD1 3.69Å; M493-I517 HydrophobicContact CB-CG1 3.69Å; M493-I517 HydrophobicContact CE-CG1 4.34Å; M493-I517 HydrophobicContact SD-CG1 4.21Å; Q494-I517 HydrophobicContact CG-CD1 3.97Å; L513-I517 VanDerWaalsContact O-CG1 3.29Å; L513-I517 WeakPolarHBondContact O-CG1 3.4Å; L513-I517 PolarHBondContact O-N 2.9Å; W514-I517 HydrophobicContact CD2-CD1 3.98Å; W514-I517 HydrophobicContact CE3-CB 4.17Å; W514-I517 HydrophobicContact CE3-CD1 3.82Å; W514-I517 HydrophobicContact CE3-CG2 4.09Å; W514-I517 HydrophobicContact CG-CD1 4.48Å; W514-I517 HydrophobicContact CZ3-CD1 4.19Å; W514-I517 HydrophobicContact CZ3-CG2 4.05Å; W514-I517 PolarHBondContact O-N 3.05Å; I517-T519 VanDerWaalsContact C-N 3.33Å; I517-T519 PolarHBondContact O-N 3.24Å; I517-R520 PolarHBondContact O-N 3.38Å; I517-N522 HydrophobicContact CG2-CB 4.23Å
518	M	94.6	Very high	95.3	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.039	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-38.7	-179.6	-69.6	-63.1	-179.9	0	0	112.2	W514 S516 R520 G521 N522 A523 M528 W529	W514-M518 HydrophobicContact CE3-CE 4.09Å; W514-M518 HydrophobicContact CZ3-CE 4.22Å; W514-M518 WeakPolarHBondContact O-CB 3.45Å; W514-M518 VanDerWaalsContact O-CG 3.24Å; W514-M518 WeakPolarHBondContact O-CG 3.29Å; W514-M518 PolarHBondContact O-N 3.01Å; S516-M518 VanDerWaalsContact C-N 3.34Å; S516-M518 PolarHBondContact O-N 2.85Å; M518-R520 VanDerWaalsContact C-N 3.31Å; M518-R520 PolarHBondContact O-N 2.93Å; M518-G521 PolarHBondContact O-N 2.77Å; M518-N522 PolarHBondContact O-N 2.84Å; M518-A523 HydrophobicContact CB-CB 4.2Å; M518-A523 PolarHBondContact O-N 3.21Å; M518-A523 HydrophobicContact SD-CB 4.09Å; M518-M528 HydrophobicContact CE-CB 4.13Å; M518-M528 WeakPolarHBondContact CE-O 3.46Å; M518-M528 HydrophobicContact SD-CB 4.48Å; M518-W529 HydrophobicContact CE-CD2 3.63Å; M518-W529 HydrophobicContact CE-CE3 3.67Å; M518-W529 HydrophobicContact CE-CG 4.06Å; M518-W529 HydrophobicContact CE-CH2 4.34Å; M518-W529 HydrophobicContact CE-CZ2 4.35Å; M518-W529 HydrophobicContact CE-CZ3 4.03Å; M518-W529 HydrophobicContact CG-CH2 4.26Å; M518-W529 HydrophobicContact CG-CZ2 4.44Å; M518-W529 HydrophobicContact SD-CD2 4.16Å; M518-W529 HydrophobicContact SD-CE3 4.47Å; M518-W529 HydrophobicContact SD-CH2 4.2Å; M518-W529 HydrophobicContact SD-CZ2 3.91Å; M518-W529 HydrophobicContact SD-CZ3 4.49Å
519	T	94.6	Very high	95.3	Very high	121 Å²	121	44 Å²	44	74%	0.742	23%	0.227	S	C	*	.	H	α-helix	trans	-65.2	-30.2	178.9	-60.2	0	0	0	0	112.8	D515 S516 I517 G521	D515-T519 WeakPolarHBondContact O-CB 3.46Å; D515-T519 PolarHBondContact O-N 2.84Å; D515-T519 PolarHBondContact O-OG1 3.29Å; S516-T519 PolarHBondContact O-N 2.85Å; I517-T519 VanDerWaalsContact C-N 3.33Å; I517-T519 PolarHBondContact O-N 3.24Å; T519-G521 PolarHBondContact O-N 3.22Å
520	R	91.7	Very high	95.4	Very high	103 Å²	103	42.1 Å²	42.1	39%	0.389	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	16.2	172.9	-68.1	176.9	179.1	-116	19.1	114.1	C490 S516 I517 M518	C490-R520 WeakPolarHBondContact SG-CD 3.35Å; S516-R520 PolarHBondContact O-N 2.85Å; I517-R520 PolarHBondContact O-N 3.38Å; M518-R520 VanDerWaalsContact C-N 3.31Å; M518-R520 PolarHBondContact O-N 2.93Å
521	G	90.8	Very high	95.4	Very high	36 Å²	36	45.6 Å²	45.6	37%	0.371	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	4.9	176.4	0	0	0	0	0	115.2	M518 T519 A523 K524	M518-G521 PolarHBondContact O-N 2.77Å; T519-G521 PolarHBondContact O-N 3.22Å; G521-A523 VanDerWaalsContact C-N 3.3Å; G521-K524 VanDerWaalsContact O-CD 3.31Å; G521-K524 WeakPolarHBondContact O-CD 3.34Å; G521-K524 VanDerWaalsContact O-CE 3.31Å; G521-K524 WeakPolarHBondContact O-CE 3.47Å; G521-K524 WeakPolarHBondContact O-CG 3.49Å
522	N	94.6	Very high	95.4	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.053	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-76.5	-14.6	176.9	-77.9	-52	0	0	0	113.8	P488 I517 M518 K524 Y525 M528	P488-N522 PolarHBondContact O-ND2 2.92Å; P488-N522 PolarHBondContact O-OD1 2.92Å; I517-N522 HydrophobicContact CG2-CB 4.23Å; M518-N522 PolarHBondContact O-N 2.84Å; N522-K524 PolarHBondContact O-N 3.1Å; N522-Y525 PolarHBondContact O-N 3.47Å; N522-Y525 VanDerWaalsContact O-N 3.1Å; N522-M528 HydrophobicContact CB-CG 4.06Å; N522-M528 HydrophobicContact CB-SD 4.5Å
523	A	95.1	Very high	95.4	Very high	22 Å²	22	39.9 Å²	39.9	18%	0.182	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-58.3	-9.4	176.4	0	0	0	0	0	115.6	M518 G521 W529 C555	M518-A523 HydrophobicContact CB-CB 4.2Å; M518-A523 PolarHBondContact O-N 3.21Å; M518-A523 HydrophobicContact SD-CB 4.09Å; G521-A523 VanDerWaalsContact C-N 3.3Å; A523-W529 HydrophobicContact CB-CZ2 4.03Å; A523-W529 PolarHBondContact O-NE1 3.27Å; A523-C555 HydrophobicContact CB-CB 4.32Å; A523-C555 CarbonylContact O-C 3.58Å; A523-C555 WeakPolarHBondContact O-CB 3.33Å
524	K	94.7	Very high	95.3	Very high	99 Å²	99	42.5 Å²	42.5	43%	0.43	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-84.9	-13.2	176.8	70.7	-160.5	175.4	-167.6	0	114.4	G521 N522 S557	G521-K524 VanDerWaalsContact O-CD 3.31Å; G521-K524 WeakPolarHBondContact O-CD 3.34Å; G521-K524 VanDerWaalsContact O-CE 3.31Å; G521-K524 WeakPolarHBondContact O-CE 3.47Å; G521-K524 WeakPolarHBondContact O-CG 3.49Å; N522-K524 PolarHBondContact O-N 3.1Å; K524-S557 PolarHBondContact O-N 3.15Å
525	Y	96	Very high	95.3	Very high	90 Å²	90	43 Å²	43	35%	0.353	23%	0.227	S	C	.	.			trans	-102.6	133.7	-173.9	-58.3	-69.2	0	0	0	112.8	N522 N527 M528	N522-Y525 PolarHBondContact O-N 3.47Å; N522-Y525 VanDerWaalsContact O-N 3.1Å; Y525-N527 WeakPolarHBondContact CB-OD1 3.31Å; Y525-N527 PolarHBondContact O-N 3.1Å; Y525-M528 HydrophobicContact CD2-CG 4.37Å; Y525-M528 PolarHBondContact O-N 3.13Å
526	A	95.9	Very high	95.3	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-41.8	-179.1	0	0	0	0	0	112.5	M528 W529 L530 T556 D558 V563	A526-M528 VanDerWaalsContact C-N 3.35Å; A526-M528 PolarHBondContact O-N 2.91Å; A526-W529 PolarHBondContact O-N 3.2Å; A526-L530 VanDerWaalsContact O-CG 3.29Å; A526-L530 WeakPolarHBondContact O-CG 3.34Å; A526-L530 PolarHBondContact O-N 3.07Å; A526-T556 HydrophobicContact CB-CG2 3.69Å; A526-D558 WeakPolarHBondContact CB-OD1 3.41Å; A526-D558 PolarHBondContact N-OD1 3.2Å; A526-D558 PolarHBondContact N-OD2 3.01Å; A526-V563 HydrophobicContact CB-CG1 4.08Å
527	N	95.9	Very high	95.2	Very high	90 Å²	90	44.2 Å²	44.2	48%	0.481	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-37.2	-177.6	64.2	-15	0	0	0	112.8	Y525 L530 E531	Y525-N527 WeakPolarHBondContact CB-OD1 3.31Å; Y525-N527 PolarHBondContact O-N 3.1Å; N527-L530 PolarHBondContact O-N 3.41Å; N527-E531 WeakPolarHBondContact O-CG 3.36Å; N527-E531 PolarHBondContact O-N 3.31Å
528	M	96.7	Very high	95.2	Very high	13 Å²	13	46.9 Å²	46.9	6%	0.064	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-40.9	177	-62	-67.7	99.6	0	0	111.5	W514 M518 N522 Y525 A526 Y532	W514-M528 WeakPolarHBondContact CZ3-O 3.42Å; M518-M528 HydrophobicContact CE-CB 4.13Å; M518-M528 WeakPolarHBondContact CE-O 3.46Å; M518-M528 HydrophobicContact SD-CB 4.48Å; N522-M528 HydrophobicContact CB-CG 4.06Å; N522-M528 HydrophobicContact CB-SD 4.5Å; Y525-M528 HydrophobicContact CD2-CG 4.37Å; Y525-M528 PolarHBondContact O-N 3.13Å; A526-M528 VanDerWaalsContact C-N 3.35Å; A526-M528 PolarHBondContact O-N 2.91Å; M528-Y532 PolarHBondContact O-N 3.46Å
529	W	96.3	Very high	95.2	Very high	2 Å²	2	50 Å²	50	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-67.7	-37.8	174.4	-77.3	111.8	0	0	0	112.9	M518 A523 A526 Y532 Y533 R551 A552 C555 V563	M518-W529 HydrophobicContact CE-CD2 3.63Å; M518-W529 HydrophobicContact CE-CE3 3.67Å; M518-W529 HydrophobicContact CE-CG 4.06Å; M518-W529 HydrophobicContact CE-CH2 4.34Å; M518-W529 HydrophobicContact CE-CZ2 4.35Å; M518-W529 HydrophobicContact CE-CZ3 4.03Å; M518-W529 HydrophobicContact CG-CH2 4.26Å; M518-W529 HydrophobicContact CG-CZ2 4.44Å; M518-W529 HydrophobicContact SD-CD2 4.16Å; M518-W529 HydrophobicContact SD-CE3 4.47Å; M518-W529 HydrophobicContact SD-CH2 4.2Å; M518-W529 HydrophobicContact SD-CZ2 3.91Å; M518-W529 HydrophobicContact SD-CZ3 4.49Å; A523-W529 HydrophobicContact CB-CZ2 4.03Å; A523-W529 PolarHBondContact O-NE1 3.27Å; A526-W529 PolarHBondContact O-N 3.2Å; W529-Y532 HydrophobicContact CE3-CD1 4.2Å; W529-Y532 HydrophobicContact CZ3-CD1 4.1Å; W529-Y532 HydrophobicContact CZ3-CE1 4.44Å; W529-Y532 PolarHBondContact O-N 3.47Å; W529-Y533 VanDerWaalsContact O-CB 3.31Å; W529-Y533 WeakPolarHBondContact O-CB 3.28Å; W529-Y533 PolarHBondContact O-N 3.01Å; W529-R551 HydrophobicContact CH2-CB 3.5Å; W529-R551 VanDerWaalsContact CH2-CB 3.5Å; W529-R551 HydrophobicContact CH2-CG 4.45Å; W529-R551 HydrophobicContact CZ2-CB 4.1Å; W529-R551 HydrophobicContact CZ3-CB 3.76Å; W529-A552 HydrophobicContact CB-CB 3.52Å; W529-A552 HydrophobicContact CD2-CB 3.58Å; W529-A552 HydrophobicContact CE3-CB 3.96Å; W529-A552 HydrophobicContact CG-CB 3.37Å; W529-C555 HydrophobicContact CZ2-CB 4.09Å; W529-V563 HydrophobicContact CB-CG1 4.5Å
530	L	95.9	Very high	95.1	Very high	21 Å²	21	45.8 Å²	45.8	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-72.9	-35	179.9	-67.7	170.5	0	0	0	112.3	A526 N527 Y533 N534 H562 V563 V566	A526-L530 VanDerWaalsContact O-CG 3.29Å; A526-L530 WeakPolarHBondContact O-CG 3.34Å; A526-L530 PolarHBondContact O-N 3.07Å; N527-L530 PolarHBondContact O-N 3.41Å; L530-Y533 HydrophobicContact CD2-CD1 4.41Å; L530-N534 VanDerWaalsContact O-CB 3.31Å; L530-N534 WeakPolarHBondContact O-CB 3.43Å; L530-N534 VanDerWaalsContact O-CG 3.3Å; L530-N534 PolarHBondContact O-N 2.83Å; L530-N534 PolarHBondContact O-ND2 3.46Å; L530-H562 VanDerWaalsContact CD1-CD2 3.45Å; L530-H562 WeakPolarHBondContact CD1-CD2 3.32Å; L530-V563 HydrophobicContact CD1-CG1 4.39Å; L530-V563 HydrophobicContact CD2-CG1 4.23Å; L530-V563 HydrophobicContact CG-CG1 4.1Å; L530-V566 HydrophobicContact CD2-CB 3.98Å; L530-V566 HydrophobicContact CD2-CG1 3.84Å; L530-V566 HydrophobicContact CD2-CG2 3.83Å
531	E	96.1	Very high	95.2	Very high	74 Å²	74	43.7 Å²	43.7	35%	0.346	23%	0.233	S	C	.	.	H	α-helix	trans	-62.4	-46.4	169.4	-79.7	-65.4	117.7	0	0	111.6	R498 W514 N527 N534 L535	R498-E531 IonicContact CZ-OE2 3.13Å; R498-E531 IonicContact NE-OE2 3.31Å; R498-E531 IonicContact NH2-OE2 3.99Å; R498-E531 PolarHBondContact NH2-OE2 2.88Å; W514-E531 HydrophobicContact CH2-CB 3.64Å; W514-E531 HydrophobicContact CZ2-CB 4.01Å; N527-E531 WeakPolarHBondContact O-CG 3.36Å; N527-E531 PolarHBondContact O-N 3.31Å; E531-N534 PolarHBondContact O-N 2.84Å; E531-L535 PolarHBondContact O-N 3.17Å; E531-L535 VanDerWaalsContact O-N 3.07Å
532	Y	97.1	Very high	95.3	Very high	11 Å²	11	44.6 Å²	44.6	4%	0.043	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-46.3	176.5	178.5	-138.4	0	0	0	112.4	W514 M528 W529 N534 L535 E536 A548	W514-Y532 HydrophobicContact CB-CD2 3.6Å; W514-Y532 HydrophobicContact CB-CE2 3.67Å; W514-Y532 HydrophobicContact CB-CG 4.11Å; W514-Y532 AromaticContact CD1-CD2 3.42Å; W514-Y532 VanDerWaalsContact CD1-CD2 3.42Å; W514-Y532 AromaticContact CD1-CE2 3.89Å; W514-Y532 AromaticContact CD2-CD2 3.79Å; W514-Y532 HydrophobicContact CD2-CD2 3.79Å; W514-Y532 AromaticContact CD2-CG 3.98Å; W514-Y532 HydrophobicContact CD2-CG 3.98Å; W514-Y532 HydrophobicContact CE3-CG 4.32Å; W514-Y532 AromaticContact CG-CD2 3.31Å; W514-Y532 HydrophobicContact CG-CD2 3.31Å; W514-Y532 AromaticContact CG-CE2 3.83Å; W514-Y532 HydrophobicContact CG-CE2 3.83Å; W514-Y532 AromaticContact CG-CG 3.9Å; W514-Y532 HydrophobicContact CG-CG 3.9Å; W514-Y532 AromaticContact NE1-CD2 3.91Å; M528-Y532 PolarHBondContact O-N 3.46Å; W529-Y532 HydrophobicContact CE3-CD1 4.2Å; W529-Y532 HydrophobicContact CZ3-CD1 4.1Å; W529-Y532 HydrophobicContact CZ3-CE1 4.44Å; W529-Y532 PolarHBondContact O-N 3.47Å; Y532-N534 PolarHBondContact O-N 3.29Å; Y532-L535 WeakPolarHBondContact O-CB 3.44Å; Y532-L535 PolarHBondContact O-N 2.83Å; Y532-L535 VanDerWaalsContact O-N 3.12Å; Y532-E536 HydrophobicContact CD2-CG 4.27Å; Y532-E536 HydrophobicContact CE2-CG 3.8Å; Y532-E536 PolarHBondContact O-N 3.36Å; Y532-E536 PolarHBondContact OH-OE1 2.88Å; Y532-A548 HydrophobicContact CD1-CB 3.95Å; Y532-A548 HydrophobicContact CE1-CB 3.8Å
533	Y	96.4	Very high	95.2	Very high	12 Å²	12	49.9 Å²	49.9	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-59.7	-42.4	175.2	160.4	-111.8	0	0	0	112.4	W529 L530 L535 E536 R537 C545 L549 V566 M570	W529-Y533 VanDerWaalsContact O-CB 3.31Å; W529-Y533 WeakPolarHBondContact O-CB 3.28Å; W529-Y533 PolarHBondContact O-N 3.01Å; L530-Y533 HydrophobicContact CD2-CD1 4.41Å; Y533-L535 VanDerWaalsContact C-N 3.25Å; Y533-L535 PolarHBondContact O-N 3.37Å; Y533-E536 PolarHBondContact O-N 3.03Å; Y533-R537 HydrophobicContact CE2-CB 4.25Å; Y533-R537 WeakPolarHBondContact O-CB 3.29Å; Y533-R537 PolarHBondContact O-N 2.93Å; Y533-R537 WeakPolarHBondContact OH-CD 3.39Å; Y533-C545 HydrophobicContact CD2-CB 4Å; Y533-C545 HydrophobicContact CE2-CB 3.95Å; Y533-L549 HydrophobicContact CD1-CD1 4.49Å; Y533-L549 HydrophobicContact CD1-CD2 4.09Å; Y533-L549 HydrophobicContact CD2-CD1 3.73Å; Y533-L549 HydrophobicContact CD2-CD2 4.05Å; Y533-L549 HydrophobicContact CD2-CG 3.75Å; Y533-L549 HydrophobicContact CE1-CD1 4.38Å; Y533-L549 HydrophobicContact CE2-CD1 3.62Å; Y533-L549 HydrophobicContact CE2-CG 4.18Å; Y533-L549 HydrophobicContact CG-CD1 4.16Å; Y533-L549 HydrophobicContact CG-CD2 3.72Å; Y533-L549 HydrophobicContact CG-CG 3.97Å; Y533-V566 HydrophobicContact CD1-CG1 3.82Å; Y533-V566 HydrophobicContact CE1-CG1 3.35Å; Y533-M570 HydrophobicContact CE2-CG 4.43Å; Y533-M570 HydrophobicContact CE2-SD 3.86Å
534	N	95.8	Very high	95.2	Very high	64 Å²	64	51.3 Å²	51.3	34%	0.342	26%	0.259	S	S	.	.	H	α-helix	trans	-65.8	-28.7	176.3	-79.3	-45.5	0	0	0	112.5	L530 E531 Y532 R537 A538	L530-N534 VanDerWaalsContact O-CB 3.31Å; L530-N534 WeakPolarHBondContact O-CB 3.43Å; L530-N534 VanDerWaalsContact O-CG 3.3Å; L530-N534 PolarHBondContact O-N 2.83Å; L530-N534 PolarHBondContact O-ND2 3.46Å; E531-N534 PolarHBondContact O-N 2.84Å; Y532-N534 PolarHBondContact O-N 3.29Å; N534-R537 PolarHBondContact OD1-NH2 3.04Å; N534-A538 VanDerWaalsContact O-CB 3.27Å; N534-A538 WeakPolarHBondContact O-CB 3.32Å; N534-A538 PolarHBondContact O-N 2.88Å
535	L	95.8	Very high	95.2	Very high	13 Å²	13	46.7 Å²	46.7	7%	0.068	24%	0.239	C	C	.	.	H	α-helix	trans	-72.6	-45.6	173.1	-165.4	69.3	0	0	0	111.9	A497 R498 A501 M507 A510 W514 E531 Y532 Y533 R537 A538 H539	A497-L535 HydrophobicContact CB-CD2 4.24Å; R498-L535 HydrophobicContact CG-CD1 4.32Å; A501-L535 HydrophobicContact CB-CD1 4Å; A501-L535 HydrophobicContact CB-CD2 4.12Å; A501-L535 HydrophobicContact CB-CG 4.06Å; M507-L535 HydrophobicContact CE-CG 4.45Å; A510-L535 HydrophobicContact CB-CD2 4.12Å; W514-L535 VanDerWaalsContact NE1-CD2 3.34Å; E531-L535 PolarHBondContact O-N 3.17Å; E531-L535 VanDerWaalsContact O-N 3.07Å; Y532-L535 WeakPolarHBondContact O-CB 3.44Å; Y532-L535 PolarHBondContact O-N 2.83Å; Y532-L535 VanDerWaalsContact O-N 3.12Å; Y533-L535 VanDerWaalsContact C-N 3.25Å; Y533-L535 PolarHBondContact O-N 3.37Å; L535-R537 PolarHBondContact O-N 3.43Å; L535-A538 PolarHBondContact O-N 3.25Å; L535-H539 PolarHBondContact O-N 3.41Å
536	E	95.7	Very high	95.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-41.9	172.9	-77.7	-73	172.3	0	0	112.4	M507 R511 Y532 Y533 A538 G540 H544 C545	M507-E536 HydrophobicContact CE-CB 4.29Å; M507-E536 HydrophobicContact CE-CG 3.78Å; M507-E536 WeakPolarHBondContact CE-OE1 3.46Å; M507-E536 WeakPolarHBondContact CE-OE2 3.46Å; R511-E536 VanDerWaalsContact CG-OE1 3.27Å; R511-E536 WeakPolarHBondContact CG-OE1 3.3Å; R511-E536 IonicContact CZ-OE1 3.23Å; R511-E536 IonicContact CZ-OE2 3.78Å; R511-E536 IonicContact NE-OE1 3.2Å; R511-E536 PolarHBondContact NE-OE1 3.16Å; R511-E536 IonicContact NE-OE2 3.36Å; R511-E536 IonicContact NH2-OE1 3.76Å; R511-E536 PolarHBondContact NH2-OE1 2.83Å; R511-E536 IonicContact NH2-OE2 2.69Å; R511-E536 PolarHBondContact NH2-OE2 2.84Å; Y532-E536 HydrophobicContact CD2-CG 4.27Å; Y532-E536 HydrophobicContact CE2-CG 3.8Å; Y532-E536 PolarHBondContact O-N 3.36Å; Y532-E536 PolarHBondContact OH-OE1 2.88Å; Y533-E536 PolarHBondContact O-N 3.03Å; E536-A538 VanDerWaalsContact C-N 3.25Å; E536-A538 PolarHBondContact O-N 3.38Å; E536-G540 CarbonylContact O-C 3.54Å; E536-G540 WeakPolarHBondContact O-CA 3.44Å; E536-G540 PolarHBondContact O-N 3.39Å; E536-H544 HydrophobicContact CG-CB 4.49Å; E536-H544 VanDerWaalsContact OE2-CB 3.31Å; E536-H544 WeakPolarHBondContact OE2-CB 3.3Å; E536-C545 VanDerWaalsContact C-SG 3.58Å
537	R	94.6	Very high	95.1	Very high	137 Å²	137	48.7 Å²	48.7	52%	0.517	25%	0.248	S	C	.	.	H	α-helix	trans	-69.1	-23.3	177.8	-174.4	168.6	60.8	129.9	0.6	113.3	Y533 N534 L535 C545	Y533-R537 HydrophobicContact CE2-CB 4.25Å; Y533-R537 WeakPolarHBondContact O-CB 3.29Å; Y533-R537 PolarHBondContact O-N 2.93Å; Y533-R537 WeakPolarHBondContact OH-CD 3.39Å; N534-R537 PolarHBondContact OD1-NH2 3.04Å; L535-R537 PolarHBondContact O-N 3.43Å; R537-C545 PolarHBondContact N-SG 3.31Å
538	A	95.1	Very high	95	Very high	55 Å²	55	44.5 Å²	44.5	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-90.8	-32.8	-179.4	0	0	0	0	0	113.9	N534 L535 E536	N534-A538 VanDerWaalsContact O-CB 3.27Å; N534-A538 WeakPolarHBondContact O-CB 3.32Å; N534-A538 PolarHBondContact O-N 2.88Å; L535-A538 PolarHBondContact O-N 3.25Å; E536-A538 VanDerWaalsContact C-N 3.25Å; E536-A538 PolarHBondContact O-N 3.38Å
539	H	94.8	Very high	94.9	Very high	73 Å²	73	43.9 Å²	43.9	34%	0.338	22%	0.223	S	C	.	.	H	α-helix	trans	-139.9	2.6	-170.8	-54.4	-66.9	0	0	0	114.8	A501 R502 M507 L535	A501-H539 HydrophobicContact CB-CB 4.15Å; R502-H539 PolarHBondContact NH1-NE2 3.36Å; M507-H539 HydrophobicContact SD-CB 4.18Å; L535-H539 PolarHBondContact O-N 3.41Å
540	G	93.3	Very high	94.9	Very high	34 Å²	34	45.9 Å²	45.9	35%	0.351	23%	0.232	S	C	.	.	S	Bend	trans	-114.9	-132.3	179.9	0	0	0	0	0	112	E536	E536-G540 CarbonylContact O-C 3.54Å; E536-G540 WeakPolarHBondContact O-CA 3.44Å; E536-G540 PolarHBondContact O-N 3.39Å
541	D	92.9	Very high	94.9	Very high	59 Å²	59	49.7 Å²	49.7	32%	0.316	25%	0.245	S	C	.	.			trans	-146.5	154	-175.9	63.8	81.6	0	0	0	113	R511 Q543 H544 C545	R511-D541 IonicContact CZ-OD2 2.78Å; R511-D541 IonicContact NH1-OD2 2.62Å; R511-D541 IonicContact NH2-OD2 2.69Å; R511-D541 PolarHBondContact NH2-OD2 3Å; D541-Q543 PolarHBondContact O-N 2.87Å; D541-Q543 WeakPolarHBondContact OD1-CA 3.5Å; D541-Q543 VanDerWaalsContact OD1-CB 3.32Å; D541-Q543 WeakPolarHBondContact OD1-CB 3.38Å; D541-Q543 PolarHBondContact OD1-N 3.08Å; D541-Q543 VanDerWaalsContact OD1-N 3.16Å; D541-H544 PolarHBondContact O-N 3.36Å; D541-H544 VanDerWaalsContact O-N 3.1Å; D541-H544 IonicContact OD1-CE1 2.69Å; D541-H544 IonicContact OD1-CG 2.9Å; D541-H544 PolarHBondContact OD1-N 3.24Å; D541-H544 IonicContact OD1-ND1 3.65Å; D541-H544 PolarHBondContact OD1-ND1 3.32Å; D541-H544 IonicContact OD2-CE1 3.67Å; D541-H544 IonicContact OD2-CG 3.78Å; D541-H544 IonicContact OD2-ND1 2.68Å; D541-H544 PolarHBondContact OD2-ND1 3.27Å; D541-C545 PolarHBondContact O-N 2.79Å; D541-C545 PolarHBondContact O-SG 2.62Å
542	T	92.2	Very high	94.8	Very high	55 Å²	55	46.2 Å²	46.2	34%	0.337	23%	0.228	S	C	.	.	H	α-helix	trans	-59.9	-27.8	-177.8	-47.9	0	0	0	0	112.6	C545 R546 E574	T542-C545 WeakPolarHBondContact O-CB 3.38Å; T542-C545 PolarHBondContact O-N 2.85Å; T542-R546 WeakPolarHBondContact O-CB 3.42Å; T542-R546 PolarHBondContact O-N 3.08Å; T542-E574 HydrophobicContact CG2-CB 4.24Å; T542-E574 WeakPolarHBondContact CG2-OE2 3.47Å; T542-E574 PolarHBondContact OG1-OE2 3.06Å
543	Q	93.3	Very high	94.7	Very high	120 Å²	120	45.7 Å²	45.7	56%	0.561	23%	0.227	S	C	*	.	H	α-helix	trans	-70.6	-38.8	177.6	-154.8	-159	45	0	0	111.5	D541 K547	D541-Q543 PolarHBondContact O-N 2.87Å; D541-Q543 WeakPolarHBondContact OD1-CA 3.5Å; D541-Q543 VanDerWaalsContact OD1-CB 3.32Å; D541-Q543 WeakPolarHBondContact OD1-CB 3.38Å; D541-Q543 PolarHBondContact OD1-N 3.08Å; D541-Q543 VanDerWaalsContact OD1-N 3.16Å; Q543-K547 VanDerWaalsContact O-CG 3.23Å; Q543-K547 WeakPolarHBondContact O-CG 3.42Å; Q543-K547 PolarHBondContact O-N 2.72Å; Q543-K547 VanDerWaalsContact O-N 3.1Å
544	H	94.7	Very high	94.6	Very high	52 Å²	52	50.2 Å²	50.2	24%	0.241	25%	0.248	C	C	.	.	H	α-helix	trans	-74.4	-33.1	172.7	-70.5	86.2	0	0	0	112.3	R511 E536 D541 K547 A548	R511-H544 VanDerWaalsContact NH2-CG 3.3Å; R511-H544 PolarHBondContact NH2-ND1 3.23Å; E536-H544 HydrophobicContact CG-CB 4.49Å; E536-H544 VanDerWaalsContact OE2-CB 3.31Å; E536-H544 WeakPolarHBondContact OE2-CB 3.3Å; D541-H544 PolarHBondContact O-N 3.36Å; D541-H544 VanDerWaalsContact O-N 3.1Å; D541-H544 IonicContact OD1-CE1 2.69Å; D541-H544 IonicContact OD1-CG 2.9Å; D541-H544 PolarHBondContact OD1-N 3.24Å; D541-H544 IonicContact OD1-ND1 3.65Å; D541-H544 PolarHBondContact OD1-ND1 3.32Å; D541-H544 IonicContact OD2-CE1 3.67Å; D541-H544 IonicContact OD2-CG 3.78Å; D541-H544 IonicContact OD2-ND1 2.68Å; D541-H544 PolarHBondContact OD2-ND1 3.27Å; H544-K547 PolarHBondContact CE1-NZ 2.69Å; H544-K547 PolarHBondContact NE2-NZ 3.07Å; H544-K547 PolarHBondContact O-N 3.31Å; H544-A548 VanDerWaalsContact O-CB 3.3Å; H544-A548 WeakPolarHBondContact O-CB 3.15Å; H544-A548 PolarHBondContact O-N 3.2Å
545	C	94.3	Very high	94.5	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.014	25%	0.25	C	C	.	.	H	α-helix	trans	-56.4	-50.6	168.2	-63.9	0	0	0	0	111.9	Y533 E536 R537 D541 T542 K547 A548 L549 M570	Y533-C545 HydrophobicContact CD2-CB 4Å; Y533-C545 HydrophobicContact CE2-CB 3.95Å; E536-C545 VanDerWaalsContact C-SG 3.58Å; R537-C545 PolarHBondContact N-SG 3.31Å; D541-C545 PolarHBondContact O-N 2.79Å; D541-C545 PolarHBondContact O-SG 2.62Å; T542-C545 WeakPolarHBondContact O-CB 3.38Å; T542-C545 PolarHBondContact O-N 2.85Å; C545-K547 PolarHBondContact O-N 3.05Å; C545-A548 PolarHBondContact O-N 3.33Å; C545-L549 PolarHBondContact O-N 3.46Å; C545-M570 HydrophobicContact CB-SD 3.7Å
546	R	94.7	Very high	94.5	Very high	46 Å²	46	49.2 Å²	49.2	17%	0.174	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-45.7	176.4	-174.2	169.2	-61.1	141.6	12.3	112.4	T542 A548 H550 M570 E571 D579	T542-R546 WeakPolarHBondContact O-CB 3.42Å; T542-R546 PolarHBondContact O-N 3.08Å; R546-A548 PolarHBondContact O-N 3.04Å; R546-H550 VanDerWaalsContact O-CB 3.31Å; R546-H550 WeakPolarHBondContact O-CB 3.44Å; R546-H550 PolarHBondContact O-N 2.79Å; R546-M570 HydrophobicContact CB-CE 3.96Å; R546-M570 HydrophobicContact CG-CE 4.45Å; R546-E571 WeakPolarHBondContact CD-OE1 3.49Å; R546-E571 WeakPolarHBondContact CG-OE1 3.31Å; R546-E571 IonicContact CZ-OE1 3.26Å; R546-E571 IonicContact CZ-OE2 2.66Å; R546-E571 VanDerWaalsContact NE-CD 3.26Å; R546-E571 IonicContact NE-OE1 2.66Å; R546-E571 PolarHBondContact NE-OE1 2.85Å; R546-E571 IonicContact NE-OE2 2.69Å; R546-E571 PolarHBondContact NE-OE2 3.21Å; R546-E571 IonicContact NH2-OE1 2.93Å; R546-E571 IonicContact NH2-OE2 3.7Å; R546-E571 PolarHBondContact NH2-OE2 3.02Å; R546-D579 WeakPolarHBondContact CD-OD1 3.44Å; R546-D579 IonicContact CZ-OD1 2.85Å; R546-D579 IonicContact CZ-OD2 2.83Å; R546-D579 IonicContact NE-OD1 3.61Å; R546-D579 PolarHBondContact NE-OD1 2.66Å; R546-D579 IonicContact NH1-OD1 3.78Å; R546-D579 PolarHBondContact NH1-OD1 2.81Å; R546-D579 IonicContact NH1-OD2 2.76Å; R546-D579 PolarHBondContact NH1-OD2 3.31Å; R546-D579 IonicContact NH2-OD1 3.81Å; R546-D579 IonicContact NH2-OD2 3.62Å
547	K	94.9	Very high	94.3	Very high	89 Å²	89	53.1 Å²	53.1	39%	0.387	27%	0.274	S	S	.	.	H	α-helix	trans	-60.3	-43.5	174.5	-69.6	165.7	-162.6	162.2	0	111.8	Q543 H544 C545 R551	Q543-K547 VanDerWaalsContact O-CG 3.23Å; Q543-K547 WeakPolarHBondContact O-CG 3.42Å; Q543-K547 PolarHBondContact O-N 2.72Å; Q543-K547 VanDerWaalsContact O-N 3.1Å; H544-K547 PolarHBondContact CE1-NZ 2.69Å; H544-K547 PolarHBondContact NE2-NZ 3.07Å; H544-K547 PolarHBondContact O-N 3.31Å; C545-K547 PolarHBondContact O-N 3.05Å; K547-R551 VanDerWaalsContact O-CG 3.31Å; K547-R551 WeakPolarHBondContact O-CG 3.48Å; K547-R551 PolarHBondContact O-N 3.2Å
548	A	94.9	Very high	94.3	Very high	3 Å²	3	49 Å²	49	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-48.1	179.7	0	0	0	0	0	111.7	Y532 H544 C545 R546 R551 A552	Y532-A548 HydrophobicContact CD1-CB 3.95Å; Y532-A548 HydrophobicContact CE1-CB 3.8Å; H544-A548 VanDerWaalsContact O-CB 3.3Å; H544-A548 WeakPolarHBondContact O-CB 3.15Å; H544-A548 PolarHBondContact O-N 3.2Å; C545-A548 PolarHBondContact O-N 3.33Å; R546-A548 PolarHBondContact O-N 3.04Å; A548-R551 WeakPolarHBondContact O-CB 3.25Å; A548-R551 PolarHBondContact O-N 2.9Å; A548-A552 WeakPolarHBondContact O-CB 3.37Å; A548-A552 PolarHBondContact O-N 3.32Å
549	L	95.3	Very high	94.2	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.4	-35.2	179	-69.1	-178.4	0	0	0	113	Y533 C545 A552 V553 V566 L567 M570	Y533-L549 HydrophobicContact CD1-CD1 4.49Å; Y533-L549 HydrophobicContact CD1-CD2 4.09Å; Y533-L549 HydrophobicContact CD2-CD1 3.73Å; Y533-L549 HydrophobicContact CD2-CD2 4.05Å; Y533-L549 HydrophobicContact CD2-CG 3.75Å; Y533-L549 HydrophobicContact CE1-CD1 4.38Å; Y533-L549 HydrophobicContact CE2-CD1 3.62Å; Y533-L549 HydrophobicContact CE2-CG 4.18Å; Y533-L549 HydrophobicContact CG-CD1 4.16Å; Y533-L549 HydrophobicContact CG-CD2 3.72Å; Y533-L549 HydrophobicContact CG-CG 3.97Å; C545-L549 PolarHBondContact O-N 3.46Å; L549-A552 WeakPolarHBondContact O-CB 3.46Å; L549-A552 PolarHBondContact O-N 2.68Å; L549-V553 WeakPolarHBondContact O-CG2 3.23Å; L549-V553 PolarHBondContact O-N 3.01Å; L549-V566 HydrophobicContact CD1-CG1 4.02Å; L549-V566 HydrophobicContact CD2-CG1 4.08Å; L549-L567 HydrophobicContact CB-CB 4.19Å; L549-L567 HydrophobicContact CB-CD1 3.81Å; L549-L567 HydrophobicContact CB-CG 4.49Å; L549-L567 HydrophobicContact CD1-CB 4.31Å; L549-L567 HydrophobicContact CD1-CD1 4.34Å; L549-M570 HydrophobicContact CD1-CB 4.3Å; L549-M570 HydrophobicContact CD1-SD 3.86Å
550	H	95	Very high	94.2	Very high	43 Å²	43	50.6 Å²	50.6	20%	0.199	26%	0.255	C	S	.	.	H	α-helix	trans	-63.1	-39.3	170.1	-79.7	-7	0	0	0	112.7	R546 L567 K586	R546-H550 VanDerWaalsContact O-CB 3.31Å; R546-H550 WeakPolarHBondContact O-CB 3.44Å; R546-H550 PolarHBondContact O-N 2.79Å; H550-L567 WeakPolarHBondContact ND1-CD2 3.13Å; H550-K586 PolarHBondContact CD2-NZ 2.92Å; H550-K586 VanDerWaalsContact CD2-NZ 3.3Å; H550-K586 PolarHBondContact NE2-NZ 3.47Å
551	R	95.4	Very high	94.2	Very high	102 Å²	102	52.8 Å²	52.8	39%	0.385	26%	0.256	S	S	.	.	H	α-helix	trans	-63.7	-43.9	170.6	-71.5	169.5	69.8	-175.4	-2.3	110.6	D515 W529 K547 A548 V553 Q554 C555	D515-R551 IonicContact OD1-CZ 2.73Å; D515-R551 IonicContact OD1-NH1 3.15Å; D515-R551 PolarHBondContact OD1-NH1 2.94Å; D515-R551 IonicContact OD1-NH2 3.18Å; D515-R551 PolarHBondContact OD1-NH2 2.79Å; D515-R551 IonicContact OD2-NH1 3.75Å; W529-R551 HydrophobicContact CH2-CB 3.5Å; W529-R551 VanDerWaalsContact CH2-CB 3.5Å; W529-R551 HydrophobicContact CH2-CG 4.45Å; W529-R551 HydrophobicContact CZ2-CB 4.1Å; W529-R551 HydrophobicContact CZ3-CB 3.76Å; K547-R551 VanDerWaalsContact O-CG 3.31Å; K547-R551 WeakPolarHBondContact O-CG 3.48Å; K547-R551 PolarHBondContact O-N 3.2Å; A548-R551 WeakPolarHBondContact O-CB 3.25Å; A548-R551 PolarHBondContact O-N 2.9Å; R551-V553 PolarHBondContact O-N 3.24Å; R551-Q554 PolarHBondContact O-N 2.9Å; R551-C555 PolarHBondContact O-N 2.93Å; R551-C555 PolarHBondContact O-SG 3.23Å
552	A	95.4	Very high	94.4	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.7	-49.7	179.1	0	0	0	0	0	112.8	W529 A548 L549 Q554 C555 T556 V563	W529-A552 HydrophobicContact CB-CB 3.52Å; W529-A552 HydrophobicContact CD2-CB 3.58Å; W529-A552 HydrophobicContact CE3-CB 3.96Å; W529-A552 HydrophobicContact CG-CB 3.37Å; A548-A552 WeakPolarHBondContact O-CB 3.37Å; A548-A552 PolarHBondContact O-N 3.32Å; L549-A552 WeakPolarHBondContact O-CB 3.46Å; L549-A552 PolarHBondContact O-N 2.68Å; A552-Q554 PolarHBondContact O-N 3.01Å; A552-C555 PolarHBondContact O-N 3.4Å; A552-T556 WeakPolarHBondContact O-CB 3.32Å; A552-T556 PolarHBondContact O-N 3.19Å; A552-T556 PolarHBondContact O-OG1 3.03Å; A552-V563 HydrophobicContact CB-CB 4.14Å; A552-V563 HydrophobicContact CB-CG1 4.23Å; A552-V563 HydrophobicContact CB-CG2 4.39Å
553	V	95.3	Very high	94.5	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-57	-38	179.1	168.9	0	0	0	0	111.8	L549 R551 V563 L567 T587 R590	L549-V553 WeakPolarHBondContact O-CG2 3.23Å; L549-V553 PolarHBondContact O-N 3.01Å; R551-V553 PolarHBondContact O-N 3.24Å; V553-V563 HydrophobicContact CG2-CG2 4.21Å; V553-L567 HydrophobicContact CG2-CD2 3.91Å; V553-T587 HydrophobicContact CG2-CG2 4.33Å; V553-R590 HydrophobicContact CG1-CB 3.83Å; V553-R590 HydrophobicContact CG1-CG 3.9Å; V553-R590 VanDerWaalsContact O-CD 3.22Å; V553-R590 WeakPolarHBondContact O-CD 3.16Å; V553-R590 WeakPolarHBondContact O-CG 3.23Å; V553-R590 PolarHBondContact O-NE 2.93Å
554	Q	93.5	Very high	94.6	Very high	106 Å²	106	46.8 Å²	46.8	50%	0.495	22%	0.222	S	C	.	.	H	α-helix	trans	-78.4	-39.8	-180	-59.9	-56.2	-33.2	0	0	113.3	R551 A552	R551-Q554 PolarHBondContact O-N 2.9Å; A552-Q554 PolarHBondContact O-N 3.01Å
555	C	94.1	Very high	94.7	Very high	56 Å²	56	49.2 Å²	49.2	38%	0.378	23%	0.234	S	C	.	.	H	α-helix	trans	-88.1	-30.5	-174.4	-60.5	0	0	0	0	114.2	A523 W529 R551 A552 S557	A523-C555 HydrophobicContact CB-CB 4.32Å; A523-C555 CarbonylContact O-C 3.58Å; A523-C555 WeakPolarHBondContact O-CB 3.33Å; W529-C555 HydrophobicContact CZ2-CB 4.09Å; R551-C555 PolarHBondContact O-N 2.93Å; R551-C555 PolarHBondContact O-SG 3.23Å; A552-C555 PolarHBondContact O-N 3.4Å; C555-S557 PolarHBondContact O-N 3.04Å; C555-S557 PolarHBondContact O-OG 3.27Å
556	T	95.3	Very high	94.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.			trans	-61.6	132.2	-176.7	-60.4	0	0	0	0	111.1	A526 A552 D558 P560 V563 R590	A526-T556 HydrophobicContact CB-CG2 3.69Å; A552-T556 WeakPolarHBondContact O-CB 3.32Å; A552-T556 PolarHBondContact O-N 3.19Å; A552-T556 PolarHBondContact O-OG1 3.03Å; T556-D558 VanDerWaalsContact CG2-OD1 3.27Å; T556-D558 WeakPolarHBondContact CG2-OD1 3.48Å; T556-P560 HydrophobicContact CG2-CB 4.37Å; T556-V563 HydrophobicContact CG2-CG1 4.47Å; T556-V563 HydrophobicContact CG2-CG2 4.07Å; T556-R590 PolarHBondContact O-NH2 2.77Å
557	S	92.3	Very high	94.9	Very high	83 Å²	83	48.3 Å²	48.3	58%	0.58	23%	0.233	S	C	*	.			trans	-125.7	-20.7	-171.9	-62.9	0	0	0	0	114	K524 C555	K524-S557 PolarHBondContact O-N 3.15Å; C555-S557 PolarHBondContact O-N 3.04Å; C555-S557 PolarHBondContact O-OG 3.27Å
558	D	92.9	Very high	94.9	Very high	51 Å²	51	44.9 Å²	44.9	27%	0.273	22%	0.219	S	C	.	.	S	Bend	trans	-84.8	-62.5	177.4	56.5	-13	0	0	0	112.1	A526 T556 P560	A526-D558 WeakPolarHBondContact CB-OD1 3.41Å; A526-D558 PolarHBondContact N-OD1 3.2Å; A526-D558 PolarHBondContact N-OD2 3.01Å; T556-D558 VanDerWaalsContact CG2-OD1 3.27Å; T556-D558 WeakPolarHBondContact CG2-OD1 3.48Å; D558-P560 VanDerWaalsContact C-CD 3.4Å; D558-P560 WeakPolarHBondContact O-CD 3.31Å
559	Y	93.7	Very high	95	Very high	159 Å²	159	47.9 Å²	47.9	62%	0.624	24%	0.237	S	C	*	.			trans	-127.2	60.6	-176.7	-56.4	-76.2	0	0	0	111.3	E561 H562	Y559-E561 PolarHBondContact O-N 2.91Å; Y559-E561 VanDerWaalsContact O-N 3.13Å; Y559-H562 PolarHBondContact O-N 3.06Å; Y559-H562 VanDerWaalsContact O-N 3.1Å
560	P	94.3	Very high	95	Very high	2 Å²	2	48 Å²	48	1%	0.013	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-28	-176.6	24.1	-34.1	0	0	0	112.9	T556 D558 H562 V563 C564 V594	T556-P560 HydrophobicContact CG2-CB 4.37Å; D558-P560 VanDerWaalsContact C-CD 3.4Å; D558-P560 WeakPolarHBondContact O-CD 3.31Å; P560-H562 VanDerWaalsContact C-N 3.33Å; P560-H562 PolarHBondContact O-N 3.42Å; P560-V563 WeakPolarHBondContact O-CG2 3.35Å; P560-V563 PolarHBondContact O-N 2.86Å; P560-C564 PolarHBondContact O-N 2.74Å; P560-C564 PolarHBondContact O-SG 2.71Å; P560-V594 HydrophobicContact CB-CG2 4.34Å; P560-V594 HydrophobicContact CG-CG1 3.97Å; P560-V594 HydrophobicContact CG-CG2 3.83Å
561	E	93.7	Very high	95.1	Very high	80 Å²	80	46.1 Å²	46.1	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-68.1	-34.5	-179.8	-34.1	-159.6	-127.5	0	0	111.7	Y559 C564 E565 L591 R598	Y559-E561 PolarHBondContact O-N 2.91Å; Y559-E561 VanDerWaalsContact O-N 3.13Å; E561-C564 WeakPolarHBondContact O-CB 3.27Å; E561-C564 PolarHBondContact O-N 2.75Å; E561-E565 PolarHBondContact O-N 3.03Å; E561-L591 HydrophobicContact CB-CD2 4.05Å; E561-L591 HydrophobicContact CG-CD2 3.58Å; E561-R598 IonicContact OE1-CZ 3.09Å; E561-R598 VanDerWaalsContact OE1-CZ 3.26Å; E561-R598 IonicContact OE1-NH1 3.81Å; E561-R598 PolarHBondContact OE1-NH1 3.39Å; E561-R598 IonicContact OE1-NH2 2.85Å; E561-R598 PolarHBondContact OE1-NH2 3.27Å
562	H	96.3	Very high	95	Very high	106 Å²	106	48 Å²	48	49%	0.491	24%	0.236	S	C	.	.	H	α-helix	trans	-67.8	-39.7	179.4	-170	25.3	0	0	0	111.8	L530 Y559 P560 C564 V566	L530-H562 VanDerWaalsContact CD1-CD2 3.45Å; L530-H562 WeakPolarHBondContact CD1-CD2 3.32Å; Y559-H562 PolarHBondContact O-N 3.06Å; Y559-H562 VanDerWaalsContact O-N 3.1Å; P560-H562 VanDerWaalsContact C-N 3.33Å; P560-H562 PolarHBondContact O-N 3.42Å; H562-C564 VanDerWaalsContact C-N 3.34Å; H562-V566 WeakPolarHBondContact O-CG2 3.5Å; H562-V566 PolarHBondContact O-N 3.43Å; H562-V566 VanDerWaalsContact O-N 3.13Å
563	V	95.9	Very high	94.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-73.8	-25.2	173.6	-60.9	0	0	0	0	112.7	A526 W529 L530 A552 V553 T556 P560 L567	A526-V563 HydrophobicContact CB-CG1 4.08Å; W529-V563 HydrophobicContact CB-CG1 4.5Å; L530-V563 HydrophobicContact CD1-CG1 4.39Å; L530-V563 HydrophobicContact CD2-CG1 4.23Å; L530-V563 HydrophobicContact CG-CG1 4.1Å; A552-V563 HydrophobicContact CB-CB 4.14Å; A552-V563 HydrophobicContact CB-CG1 4.23Å; A552-V563 HydrophobicContact CB-CG2 4.39Å; V553-V563 HydrophobicContact CG2-CG2 4.21Å; T556-V563 HydrophobicContact CG2-CG1 4.47Å; T556-V563 HydrophobicContact CG2-CG2 4.07Å; P560-V563 WeakPolarHBondContact O-CG2 3.35Å; P560-V563 PolarHBondContact O-N 2.86Å; V563-L567 WeakPolarHBondContact O-CB 3.36Å; V563-L567 PolarHBondContact O-N 3.16Å; V563-L567 VanDerWaalsContact O-N 3.1Å
564	C	95.6	Very high	94.7	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.007	29%	0.287	C	S	.	.	H	α-helix	trans	-66.7	-50	170.1	-67.5	0	0	0	0	111.4	P560 E561 H562 V566 L567 L568 T587 L591	P560-C564 PolarHBondContact O-N 2.74Å; P560-C564 PolarHBondContact O-SG 2.71Å; E561-C564 WeakPolarHBondContact O-CB 3.27Å; E561-C564 PolarHBondContact O-N 2.75Å; H562-C564 VanDerWaalsContact C-N 3.34Å; C564-V566 VanDerWaalsContact C-N 3.31Å; C564-V566 PolarHBondContact O-N 2.97Å; C564-L567 PolarHBondContact O-N 3.45Å; C564-L568 WeakPolarHBondContact O-CG 3.36Å; C564-L568 PolarHBondContact O-N 3.26Å; C564-T587 HydrophobicContact CB-CG2 3.51Å; C564-L591 HydrophobicContact CB-CD1 4.29Å
565	E	96.6	Very high	94.6	Very high	104 Å²	104	53.7 Å²	53.7	49%	0.486	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-36.6	177.9	-76.6	-57.8	144.5	0	0	112.8	E561 T569	E561-E565 PolarHBondContact O-N 3.03Å; E565-T569 VanDerWaalsContact O-CB 3.22Å; E565-T569 WeakPolarHBondContact O-CB 3.49Å; E565-T569 PolarHBondContact O-N 3.37Å; E565-T569 PolarHBondContact O-OG1 3.07Å
566	V	96.4	Very high	94.7	Very high	28 Å²	28	53.7 Å²	53.7	17%	0.17	28%	0.278	C	S	.	.	H	α-helix	trans	-68.8	-39.2	175.4	172.5	0	0	0	0	111.7	L530 Y533 L549 H562 C564 T569 M570	L530-V566 HydrophobicContact CD2-CB 3.98Å; L530-V566 HydrophobicContact CD2-CG1 3.84Å; L530-V566 HydrophobicContact CD2-CG2 3.83Å; Y533-V566 HydrophobicContact CD1-CG1 3.82Å; Y533-V566 HydrophobicContact CE1-CG1 3.35Å; L549-V566 HydrophobicContact CD1-CG1 4.02Å; L549-V566 HydrophobicContact CD2-CG1 4.08Å; H562-V566 WeakPolarHBondContact O-CG2 3.5Å; H562-V566 PolarHBondContact O-N 3.43Å; H562-V566 VanDerWaalsContact O-N 3.13Å; C564-V566 VanDerWaalsContact C-N 3.31Å; C564-V566 PolarHBondContact O-N 2.97Å; V566-T569 PolarHBondContact O-N 3.41Å; V566-M570 WeakPolarHBondContact O-CB 3.31Å; V566-M570 PolarHBondContact O-N 3.43Å
567	L	96.1	Very high	94.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-51.5	172.5	175.8	63.9	0	0	0	111.5	L549 H550 V553 V563 C564 T569 M570 E571 A583 T587	L549-L567 HydrophobicContact CB-CB 4.19Å; L549-L567 HydrophobicContact CB-CD1 3.81Å; L549-L567 HydrophobicContact CB-CG 4.49Å; L549-L567 HydrophobicContact CD1-CB 4.31Å; L549-L567 HydrophobicContact CD1-CD1 4.34Å; H550-L567 WeakPolarHBondContact ND1-CD2 3.13Å; V553-L567 HydrophobicContact CG2-CD2 3.91Å; V563-L567 WeakPolarHBondContact O-CB 3.36Å; V563-L567 PolarHBondContact O-N 3.16Å; V563-L567 VanDerWaalsContact O-N 3.1Å; C564-L567 PolarHBondContact O-N 3.45Å; L567-T569 VanDerWaalsContact C-N 3.28Å; L567-T569 PolarHBondContact O-N 3.06Å; L567-M570 HydrophobicContact CD1-CE 4.37Å; L567-M570 PolarHBondContact O-N 3.37Å; L567-E571 HydrophobicContact CD1-CG 4.15Å; L567-E571 PolarHBondContact O-N 3.45Å; L567-A583 HydrophobicContact CD1-CB 4.48Å; L567-A583 HydrophobicContact CD2-CB 4Å; L567-A583 HydrophobicContact CG-CB 3.94Å; L567-T587 HydrophobicContact CD2-CG2 4.1Å
568	L	95.9	Very high	94.7	Very high	18 Å²	18	63.2 Å²	63.2	9%	0.094	32%	0.316	C	S	.	.	H	α-helix	trans	-58.8	-41.9	177.7	-68.3	177	0	0	0	111.3	C564 M570 E571 R572 W580 A583 V584 T587	C564-L568 WeakPolarHBondContact O-CG 3.36Å; C564-L568 PolarHBondContact O-N 3.26Å; L568-M570 PolarHBondContact O-N 3.07Å; L568-E571 PolarHBondContact O-N 2.76Å; L568-R572 WeakPolarHBondContact O-CB 2.98Å; L568-R572 PolarHBondContact O-N 3.05Å; L568-W580 HydrophobicContact CB-CH2 4.3Å; L568-W580 HydrophobicContact CB-CZ3 3.85Å; L568-W580 HydrophobicContact CD2-CE3 4.38Å; L568-W580 HydrophobicContact CD2-CH2 4.05Å; L568-W580 HydrophobicContact CD2-CZ3 3.91Å; L568-W580 HydrophobicContact CG-CZ3 4.44Å; L568-W580 VanDerWaalsContact O-CZ3 3.31Å; L568-W580 WeakPolarHBondContact O-CZ3 3.43Å; L568-A583 HydrophobicContact CD2-CB 4.06Å; L568-V584 HydrophobicContact CD2-CB 4.43Å; L568-V584 HydrophobicContact CD2-CG2 3.65Å; L568-T587 HydrophobicContact CG-CG2 4.32Å
569	T	96.8	Very high	94.7	Very high	66 Å²	66	62.7 Å²	62.7	41%	0.405	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-42.5	177.2	-61.1	0	0	0	0	111.9	E565 V566 L567 R572 T573	E565-T569 VanDerWaalsContact O-CB 3.22Å; E565-T569 WeakPolarHBondContact O-CB 3.49Å; E565-T569 PolarHBondContact O-N 3.37Å; E565-T569 PolarHBondContact O-OG1 3.07Å; V566-T569 PolarHBondContact O-N 3.41Å; L567-T569 VanDerWaalsContact C-N 3.28Å; L567-T569 PolarHBondContact O-N 3.06Å; T569-R572 PolarHBondContact O-N 3.45Å; T569-T573 PolarHBondContact O-N 3.5Å; T569-T573 PolarHBondContact O-OG1 3.42Å; T569-T573 VanDerWaalsContact O-OG1 3.12Å
570	M	95.3	Very high	94.7	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-48.5	177.2	-170.8	-159.5	75.5	0	0	112	Y533 C545 R546 L549 V566 L567 L568 R572 T573 E574	Y533-M570 HydrophobicContact CE2-CG 4.43Å; Y533-M570 HydrophobicContact CE2-SD 3.86Å; C545-M570 HydrophobicContact CB-SD 3.7Å; R546-M570 HydrophobicContact CB-CE 3.96Å; R546-M570 HydrophobicContact CG-CE 4.45Å; L549-M570 HydrophobicContact CD1-CB 4.3Å; L549-M570 HydrophobicContact CD1-SD 3.86Å; V566-M570 WeakPolarHBondContact O-CB 3.31Å; V566-M570 PolarHBondContact O-N 3.43Å; L567-M570 HydrophobicContact CD1-CE 4.37Å; L567-M570 PolarHBondContact O-N 3.37Å; L568-M570 PolarHBondContact O-N 3.07Å; M570-R572 VanDerWaalsContact C-N 3.27Å; M570-R572 PolarHBondContact O-N 3.39Å; M570-T573 PolarHBondContact O-N 3.06Å; M570-T573 VanDerWaalsContact O-N 3.16Å; M570-T573 PolarHBondContact O-OG1 3.18Å; M570-T573 VanDerWaalsContact O-OG1 3.12Å; M570-E574 PolarHBondContact O-N 3.17Å
571	E	95.4	Very high	94.7	Very high	3 Å²	3	62.4 Å²	62.4	1%	0.014	32%	0.318	C	S	.	.	H	α-helix	trans	-67.7	-29.3	179.3	-53.1	-55.3	176.7	0	0	112.2	R546 L567 L568 T573 G575 D579 W580 A583	R546-E571 WeakPolarHBondContact CD-OE1 3.49Å; R546-E571 WeakPolarHBondContact CG-OE1 3.31Å; R546-E571 IonicContact CZ-OE1 3.26Å; R546-E571 IonicContact CZ-OE2 2.66Å; R546-E571 VanDerWaalsContact NE-CD 3.26Å; R546-E571 IonicContact NE-OE1 2.66Å; R546-E571 PolarHBondContact NE-OE1 2.85Å; R546-E571 IonicContact NE-OE2 2.69Å; R546-E571 PolarHBondContact NE-OE2 3.21Å; R546-E571 IonicContact NH2-OE1 2.93Å; R546-E571 IonicContact NH2-OE2 3.7Å; R546-E571 PolarHBondContact NH2-OE2 3.02Å; L567-E571 HydrophobicContact CD1-CG 4.15Å; L567-E571 PolarHBondContact O-N 3.45Å; L568-E571 PolarHBondContact O-N 2.76Å; E571-T573 VanDerWaalsContact C-N 3.3Å; E571-T573 PolarHBondContact O-N 2.83Å; E571-G575 VanDerWaalsContact O-CA 3.23Å; E571-G575 WeakPolarHBondContact O-CA 3.47Å; E571-G575 PolarHBondContact O-N 3.37Å; E571-D579 HydrophobicContact CG-CB 4.47Å; E571-W580 HydrophobicContact CB-CB 4.27Å; E571-W580 HydrophobicContact CB-CE3 4.45Å; E571-A583 HydrophobicContact CG-CB 3.83Å
572	R	94.8	Very high	94.7	Very high	143 Å²	143	60.7 Å²	60.7	54%	0.54	31%	0.313	S	S	.	.	H	α-helix	trans	-66.9	-28.2	173.8	-170.8	-174.5	-64.1	124.8	-7.4	113	L568 T569 M570 W580	L568-R572 WeakPolarHBondContact O-CB 2.98Å; L568-R572 PolarHBondContact O-N 3.05Å; T569-R572 PolarHBondContact O-N 3.45Å; M570-R572 VanDerWaalsContact C-N 3.27Å; M570-R572 PolarHBondContact O-N 3.39Å; R572-W580 HydrophobicContact CB-CE3 4.02Å; R572-W580 HydrophobicContact CB-CZ3 3.94Å
573	T	93.8	Very high	94.6	Very high	101 Å²	101	55.6 Å²	55.6	62%	0.62	29%	0.29	S	S	*	.	H	α-helix	trans	-99.8	-30.5	-178.6	52.4	0	0	0	0	114.2	T569 M570 E571	T569-T573 PolarHBondContact O-N 3.5Å; T569-T573 PolarHBondContact O-OG1 3.42Å; T569-T573 VanDerWaalsContact O-OG1 3.12Å; M570-T573 PolarHBondContact O-N 3.06Å; M570-T573 VanDerWaalsContact O-N 3.16Å; M570-T573 PolarHBondContact O-OG1 3.18Å; M570-T573 VanDerWaalsContact O-OG1 3.12Å; E571-T573 VanDerWaalsContact C-N 3.3Å; E571-T573 PolarHBondContact O-N 2.83Å
574	E	90.5	Very high	94.6	Very high	96 Å²	96	57.2 Å²	57.2	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-133	-7.7	-169.3	-62.7	175.3	-153.3	0	0	113.9	T542 M570	T542-E574 HydrophobicContact CG2-CB 4.24Å; T542-E574 WeakPolarHBondContact CG2-OE2 3.47Å; T542-E574 PolarHBondContact OG1-OE2 3.06Å; M570-E574 PolarHBondContact O-N 3.17Å
575	G	91.8	Very high	94.6	Very high	28 Å²	28	63.3 Å²	63.3	29%	0.289	33%	0.327	S	S	.	.			trans	-89.4	165.7	-175.6	0	0	0	0	0	114.4	E571	E571-G575 VanDerWaalsContact O-CA 3.23Å; E571-G575 WeakPolarHBondContact O-CA 3.47Å; E571-G575 PolarHBondContact O-N 3.37Å
576	S	94.4	Very high	94.4	Very high	57 Å²	57	61.6 Å²	61.6	40%	0.399	32%	0.318	S	S	.	.			trans	-78.9	165.4	161.1	71	0	0	0	0	110.8	E578 D579 W580	S576-E578 PolarHBondContact O-N 3.47Å; S576-E578 PolarHBondContact OG-N 2.85Å; S576-D579 WeakPolarHBondContact CB-OD2 3.49Å; S576-D579 PolarHBondContact N-OD2 3.06Å; S576-D579 VanDerWaalsContact N-OD2 3.08Å; S576-D579 PolarHBondContact O-N 3.14Å; S576-D579 VanDerWaalsContact OG-CG 3.26Å; S576-D579 PolarHBondContact OG-N 3.3Å; S576-D579 VanDerWaalsContact OG-N 3.07Å; S576-D579 PolarHBondContact OG-OD2 3.29Å; S576-W580 PolarHBondContact O-N 3.15Å
577	L	93.4	Very high	94.3	Very high	127 Å²	127	60.4 Å²	60.4	67%	0.665	31%	0.312	S	S	*	.	H	α-helix	trans	-59.7	-34.1	172.7	-177.4	61.5	0	0	0	111.9	W580 D581	L577-W580 PolarHBondContact O-N 3.24Å; L577-D581 PolarHBondContact O-N 3.43Å
578	E	94.1	Very high	94.2	Very high	155 Å²	155	66.5 Å²	66.5	72%	0.724	34%	0.34	S	S	*	.	H	α-helix	trans	-70.3	-37.4	176.9	-172.4	175.2	-179.9	0	0	112	S576 T582	S576-E578 PolarHBondContact O-N 3.47Å; S576-E578 PolarHBondContact OG-N 2.85Å; E578-T582 WeakPolarHBondContact O-CB 3.41Å; E578-T582 PolarHBondContact O-N 3.43Å; E578-T582 PolarHBondContact O-OG1 2.87Å
579	D	93.4	Very high	94.2	Very high	40 Å²	40	70.2 Å²	70.2	21%	0.214	36%	0.364	C	S	.	.	H	α-helix	trans	-64.8	-41.8	170.8	-64.9	-69.8	0	0	0	111.4	R546 E571 S576 A583	R546-D579 WeakPolarHBondContact CD-OD1 3.44Å; R546-D579 IonicContact CZ-OD1 2.85Å; R546-D579 IonicContact CZ-OD2 2.83Å; R546-D579 IonicContact NE-OD1 3.61Å; R546-D579 PolarHBondContact NE-OD1 2.66Å; R546-D579 IonicContact NH1-OD1 3.78Å; R546-D579 PolarHBondContact NH1-OD1 2.81Å; R546-D579 IonicContact NH1-OD2 2.76Å; R546-D579 PolarHBondContact NH1-OD2 3.31Å; R546-D579 IonicContact NH2-OD1 3.81Å; R546-D579 IonicContact NH2-OD2 3.62Å; E571-D579 HydrophobicContact CG-CB 4.47Å; S576-D579 WeakPolarHBondContact CB-OD2 3.49Å; S576-D579 PolarHBondContact N-OD2 3.06Å; S576-D579 VanDerWaalsContact N-OD2 3.08Å; S576-D579 PolarHBondContact O-N 3.14Å; S576-D579 VanDerWaalsContact OG-CG 3.26Å; S576-D579 PolarHBondContact OG-N 3.3Å; S576-D579 VanDerWaalsContact OG-N 3.07Å; S576-D579 PolarHBondContact OG-OD2 3.29Å; D579-A583 WeakPolarHBondContact O-CB 3.23Å; D579-A583 PolarHBondContact O-N 2.87Å
580	W	94.6	Very high	94	Very high	65 Å²	65	68.3 Å²	68.3	25%	0.246	35%	0.349	C	S	.	.	H	α-helix	trans	-62.7	-52.1	176.8	163.7	-89.5	0	0	0	112	L568 E571 R572 S576 L577 T582 A583 V584	L568-W580 HydrophobicContact CB-CH2 4.3Å; L568-W580 HydrophobicContact CB-CZ3 3.85Å; L568-W580 HydrophobicContact CD2-CE3 4.38Å; L568-W580 HydrophobicContact CD2-CH2 4.05Å; L568-W580 HydrophobicContact CD2-CZ3 3.91Å; L568-W580 HydrophobicContact CG-CZ3 4.44Å; L568-W580 VanDerWaalsContact O-CZ3 3.31Å; L568-W580 WeakPolarHBondContact O-CZ3 3.43Å; E571-W580 HydrophobicContact CB-CB 4.27Å; E571-W580 HydrophobicContact CB-CE3 4.45Å; R572-W580 HydrophobicContact CB-CE3 4.02Å; R572-W580 HydrophobicContact CB-CZ3 3.94Å; S576-W580 PolarHBondContact O-N 3.15Å; L577-W580 PolarHBondContact O-N 3.24Å; W580-T582 VanDerWaalsContact C-N 3.28Å; W580-T582 PolarHBondContact O-N 3.01Å; W580-A583 WeakPolarHBondContact O-CA 3.5Å; W580-A583 WeakPolarHBondContact O-CB 3.36Å; W580-A583 PolarHBondContact O-N 3.38Å; W580-V584 HydrophobicContact CD2-CG2 4.2Å; W580-V584 HydrophobicContact CH2-CG2 4.15Å; W580-V584 HydrophobicContact CZ2-CG2 3.56Å; W580-V584 WeakPolarHBondContact O-CG2 3.44Å; W580-V584 PolarHBondContact O-N 3.25Å
581	D	94.4	Very high	93.8	Very high	90 Å²	90	69.9 Å²	69.9	48%	0.481	36%	0.357	S	S	.	.	H	α-helix	trans	-62.3	-39	178.9	-72.2	-21.3	0	0	0	110.9	L577 A583 V584 Q585	L577-D581 PolarHBondContact O-N 3.43Å; D581-A583 VanDerWaalsContact C-N 3.33Å; D581-A583 PolarHBondContact O-N 3.05Å; D581-V584 PolarHBondContact O-N 3.44Å; D581-Q585 WeakPolarHBondContact O-CB 3.49Å; D581-Q585 PolarHBondContact O-N 3.26Å
582	T	93.9	Very high	93.8	Very high	44 Å²	44	72.8 Å²	72.8	27%	0.27	38%	0.382	S	S	.	.	H	α-helix	trans	-62.5	-37.2	172.5	-67.8	0	0	0	0	112.4	E578 W580 K586	E578-T582 WeakPolarHBondContact O-CB 3.41Å; E578-T582 PolarHBondContact O-N 3.43Å; E578-T582 PolarHBondContact O-OG1 2.87Å; W580-T582 VanDerWaalsContact C-N 3.28Å; W580-T582 PolarHBondContact O-N 3.01Å; T582-K586 HydrophobicContact CG2-CD 4.05Å; T582-K586 VanDerWaalsContact CG2-CE 3.44Å; T582-K586 WeakPolarHBondContact O-CB 3.5Å; T582-K586 WeakPolarHBondContact O-CD 3.42Å; T582-K586 VanDerWaalsContact O-CG 3.22Å; T582-K586 WeakPolarHBondContact O-CG 3.2Å; T582-K586 PolarHBondContact O-N 3.41Å
583	A	93.6	Very high	93.7	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-69.5	-48.2	175.5	0	0	0	0	0	111.3	L567 L568 E571 D579 W580 D581 Q585 K586 T587	L567-A583 HydrophobicContact CD1-CB 4.48Å; L567-A583 HydrophobicContact CD2-CB 4Å; L567-A583 HydrophobicContact CG-CB 3.94Å; L568-A583 HydrophobicContact CD2-CB 4.06Å; E571-A583 HydrophobicContact CG-CB 3.83Å; D579-A583 WeakPolarHBondContact O-CB 3.23Å; D579-A583 PolarHBondContact O-N 2.87Å; W580-A583 WeakPolarHBondContact O-CA 3.5Å; W580-A583 WeakPolarHBondContact O-CB 3.36Å; W580-A583 PolarHBondContact O-N 3.38Å; D581-A583 VanDerWaalsContact C-N 3.33Å; D581-A583 PolarHBondContact O-N 3.05Å; A583-Q585 PolarHBondContact O-N 2.94Å; A583-K586 PolarHBondContact O-N 3.2Å; A583-K586 VanDerWaalsContact O-N 3.16Å; A583-T587 WeakPolarHBondContact O-CG2 3.34Å; A583-T587 PolarHBondContact O-N 3.24Å; A583-T587 PolarHBondContact O-OG1 3.41Å; A583-T587 VanDerWaalsContact O-OG1 3.11Å
584	V	95.4	Very high	93.6	Very high	33 Å²	33	68.9 Å²	68.9	20%	0.2	36%	0.357	C	S	.	.	H	α-helix	trans	-53.6	-51.6	175.1	173.1	0	0	0	0	110.7	L568 W580 D581 K586 T587 E588	L568-V584 HydrophobicContact CD2-CB 4.43Å; L568-V584 HydrophobicContact CD2-CG2 3.65Å; W580-V584 HydrophobicContact CD2-CG2 4.2Å; W580-V584 HydrophobicContact CH2-CG2 4.15Å; W580-V584 HydrophobicContact CZ2-CG2 3.56Å; W580-V584 WeakPolarHBondContact O-CG2 3.44Å; W580-V584 PolarHBondContact O-N 3.25Å; D581-V584 PolarHBondContact O-N 3.44Å; V584-K586 VanDerWaalsContact C-N 3.3Å; V584-K586 PolarHBondContact O-N 3.42Å; V584-T587 PolarHBondContact O-N 3.45Å; V584-T587 PolarHBondContact O-OG1 3.28Å; V584-T587 VanDerWaalsContact O-OG1 3.04Å; V584-E588 HydrophobicContact CG1-CG 4.17Å; V584-E588 WeakPolarHBondContact O-CB 3.36Å; V584-E588 WeakPolarHBondContact O-CG 3.31Å; V584-E588 PolarHBondContact O-N 3.36Å
585	Q	95.1	Very high	93.7	Very high	129 Å²	129	67.3 Å²	67.3	60%	0.603	35%	0.351	S	S	*	.	H	α-helix	trans	-57.2	-42.9	179.1	-170.2	-169.6	42.6	0	0	112.2	D581 A583 T589	D581-Q585 WeakPolarHBondContact O-CB 3.49Å; D581-Q585 PolarHBondContact O-N 3.26Å; A583-Q585 PolarHBondContact O-N 2.94Å; Q585-T589 VanDerWaalsContact O-CB 3.25Å; Q585-T589 WeakPolarHBondContact O-CB 3.49Å; Q585-T589 PolarHBondContact O-N 2.87Å; Q585-T589 VanDerWaalsContact O-N 3.1Å; Q585-T589 PolarHBondContact O-OG1 3.16Å
586	K	93.9	Very high	93.8	Very high	68 Å²	68	71.3 Å²	71.3	30%	0.296	36%	0.362	S	S	.	.	H	α-helix	trans	-70	-40	-179.9	-74.2	168.3	-174.2	167.7	0	112.4	H550 T582 A583 V584 R590	H550-K586 PolarHBondContact CD2-NZ 2.92Å; H550-K586 VanDerWaalsContact CD2-NZ 3.3Å; H550-K586 PolarHBondContact NE2-NZ 3.47Å; T582-K586 HydrophobicContact CG2-CD 4.05Å; T582-K586 VanDerWaalsContact CG2-CE 3.44Å; T582-K586 WeakPolarHBondContact O-CB 3.5Å; T582-K586 WeakPolarHBondContact O-CD 3.42Å; T582-K586 VanDerWaalsContact O-CG 3.22Å; T582-K586 WeakPolarHBondContact O-CG 3.2Å; T582-K586 PolarHBondContact O-N 3.41Å; A583-K586 PolarHBondContact O-N 3.2Å; A583-K586 VanDerWaalsContact O-N 3.16Å; V584-K586 VanDerWaalsContact C-N 3.3Å; V584-K586 PolarHBondContact O-N 3.42Å; K586-R590 WeakPolarHBondContact O-CB 3.3Å; K586-R590 PolarHBondContact O-N 2.86Å; K586-R590 VanDerWaalsContact O-N 3.11Å
587	T	93.3	Very high	93.6	Very high	4 Å²	4	73.5 Å²	73.5	3%	0.025	37%	0.367	C	S	.	.	H	α-helix	trans	-71.7	-47.7	179.2	55.4	0	0	0	0	110.8	V553 C564 L567 L568 A583 V584 T589 R590 L591	V553-T587 HydrophobicContact CG2-CG2 4.33Å; C564-T587 HydrophobicContact CB-CG2 3.51Å; L567-T587 HydrophobicContact CD2-CG2 4.1Å; L568-T587 HydrophobicContact CG-CG2 4.32Å; A583-T587 WeakPolarHBondContact O-CG2 3.34Å; A583-T587 PolarHBondContact O-N 3.24Å; A583-T587 PolarHBondContact O-OG1 3.41Å; A583-T587 VanDerWaalsContact O-OG1 3.11Å; V584-T587 PolarHBondContact O-N 3.45Å; V584-T587 PolarHBondContact O-OG1 3.28Å; V584-T587 VanDerWaalsContact O-OG1 3.04Å; T587-T589 PolarHBondContact O-N 2.69Å; T587-R590 PolarHBondContact O-N 2.82Å; T587-R590 VanDerWaalsContact O-N 3.14Å; T587-L591 WeakPolarHBondContact O-CB 3.28Å; T587-L591 WeakPolarHBondContact O-CG 3.45Å; T587-L591 PolarHBondContact O-N 2.92Å
588	E	94.9	Very high	93.5	Very high	127 Å²	127	72.1 Å²	72.1	59%	0.593	35%	0.352	S	S	*	.	H	α-helix	trans	-56.4	-48.5	175.3	-71.8	-175.4	160.4	0	0	111.9	V584 R590 L591 A592	V584-E588 HydrophobicContact CG1-CG 4.17Å; V584-E588 WeakPolarHBondContact O-CB 3.36Å; V584-E588 WeakPolarHBondContact O-CG 3.31Å; V584-E588 PolarHBondContact O-N 3.36Å; E588-R590 VanDerWaalsContact C-N 3.3Å; E588-R590 PolarHBondContact O-N 2.87Å; E588-L591 PolarHBondContact O-N 2.98Å; E588-A592 WeakPolarHBondContact O-CB 3.37Å; E588-A592 PolarHBondContact O-N 2.86Å
589	T	94.6	Very high	93.4	Very high	97 Å²	97	70.4 Å²	70.4	60%	0.595	35%	0.346	S	S	*	.	H	α-helix	trans	-59.6	-40.4	177.6	-59.1	0	0	0	0	111.9	Q585 T587	Q585-T589 VanDerWaalsContact O-CB 3.25Å; Q585-T589 WeakPolarHBondContact O-CB 3.49Å; Q585-T589 PolarHBondContact O-N 2.87Å; Q585-T589 VanDerWaalsContact O-N 3.1Å; Q585-T589 PolarHBondContact O-OG1 3.16Å; T587-T589 PolarHBondContact O-N 2.69Å
590	R	92.5	Very high	93.4	Very high	26 Å²	26	74.2 Å²	74.2	10%	0.098	36%	0.36	C	S	.	.	H	α-helix	trans	-67.8	-47.3	176.8	-179.5	67.8	-180	114.3	-1.6	111.3	V553 T556 K586 T587 E588 R593 V594	V553-R590 HydrophobicContact CG1-CB 3.83Å; V553-R590 HydrophobicContact CG1-CG 3.9Å; V553-R590 VanDerWaalsContact O-CD 3.22Å; V553-R590 WeakPolarHBondContact O-CD 3.16Å; V553-R590 WeakPolarHBondContact O-CG 3.23Å; V553-R590 PolarHBondContact O-NE 2.93Å; T556-R590 PolarHBondContact O-NH2 2.77Å; K586-R590 WeakPolarHBondContact O-CB 3.3Å; K586-R590 PolarHBondContact O-N 2.86Å; K586-R590 VanDerWaalsContact O-N 3.11Å; T587-R590 PolarHBondContact O-N 2.82Å; T587-R590 VanDerWaalsContact O-N 3.14Å; E588-R590 VanDerWaalsContact C-N 3.3Å; E588-R590 PolarHBondContact O-N 2.87Å; R590-R593 PolarHBondContact O-N 3.19Å; R590-V594 HydrophobicContact CG-CG2 4.48Å; R590-V594 WeakPolarHBondContact O-CG2 3.25Å; R590-V594 PolarHBondContact O-N 2.87Å
591	L	93	Very high	93.3	Very high	34 Å²	34	73.6 Å²	73.6	18%	0.178	37%	0.369	C	S	.	.	H	α-helix	trans	-69.7	-38.9	-174.6	-68.2	177	0	0	0	112.3	E561 C564 T587 E588 R593 V594 N595	E561-L591 HydrophobicContact CB-CD2 4.05Å; E561-L591 HydrophobicContact CG-CD2 3.58Å; C564-L591 HydrophobicContact CB-CD1 4.29Å; T587-L591 WeakPolarHBondContact O-CB 3.28Å; T587-L591 WeakPolarHBondContact O-CG 3.45Å; T587-L591 PolarHBondContact O-N 2.92Å; E588-L591 PolarHBondContact O-N 2.98Å; L591-R593 VanDerWaalsContact C-N 3.32Å; L591-R593 PolarHBondContact O-N 3.22Å; L591-V594 PolarHBondContact O-N 3.28Å; L591-N595 WeakPolarHBondContact O-CB 3.49Å; L591-N595 PolarHBondContact O-N 3.41Å; L591-N595 PolarHBondContact O-ND2 3.25Å
592	A	94.2	Very high	93.2	Very high	65 Å²	65	71.9 Å²	71.9	54%	0.537	37%	0.368	S	S	.	.	H	α-helix	trans	-55.2	-48.1	172	0	0	0	0	0	111.3	E588 N595 E596	E588-A592 WeakPolarHBondContact O-CB 3.37Å; E588-A592 PolarHBondContact O-N 2.86Å; A592-N595 PolarHBondContact O-N 2.84Å; A592-E596 PolarHBondContact O-N 3.24Å
593	R	92.8	Very high	93.2	Very high	153 Å²	153	76.1 Å²	76.1	58%	0.577	38%	0.384	S	S	*	.	H	α-helix	trans	-65.6	-38.2	177.1	-173.5	179.1	178.9	-163.9	0.6	113.1	R590 L591 Q597	R590-R593 PolarHBondContact O-N 3.19Å; L591-R593 VanDerWaalsContact C-N 3.32Å; L591-R593 PolarHBondContact O-N 3.22Å; R593-Q597 WeakPolarHBondContact O-CB 3.36Å; R593-Q597 VanDerWaalsContact O-CG 3.26Å; R593-Q597 WeakPolarHBondContact O-CG 3.34Å; R593-Q597 PolarHBondContact O-N 3.39Å; R593-Q597 VanDerWaalsContact O-N 3.1Å
594	V	92.4	Very high	93.2	Very high	9 Å²	9	83.4 Å²	83.4	6%	0.055	42%	0.416	C	S	.	.	H	α-helix	trans	-64.1	-42.8	174.5	169.6	0	0	0	0	110.7	P560 R590 L591 Q597 R598	P560-V594 HydrophobicContact CB-CG2 4.34Å; P560-V594 HydrophobicContact CG-CG1 3.97Å; P560-V594 HydrophobicContact CG-CG2 3.83Å; R590-V594 HydrophobicContact CG-CG2 4.48Å; R590-V594 WeakPolarHBondContact O-CG2 3.25Å; R590-V594 PolarHBondContact O-N 2.87Å; L591-V594 PolarHBondContact O-N 3.28Å; V594-Q597 PolarHBondContact O-N 3.19Å; V594-R598 HydrophobicContact CG1-CG 4.4Å; V594-R598 VanDerWaalsContact CG1-CZ 3.46Å; V594-R598 VanDerWaalsContact O-CG 3.32Å; V594-R598 WeakPolarHBondContact O-CG 3.38Å; V594-R598 PolarHBondContact O-N 2.85Å
595	N	91.6	Very high	93.1	Very high	63 Å²	63	88.3 Å²	88.3	34%	0.337	44%	0.437	S	S	.	.	H	α-helix	trans	-73.2	-35.5	-178.1	-70.3	-23.4	0	0	0	112	L591 A592 R598 M599	L591-N595 WeakPolarHBondContact O-CB 3.49Å; L591-N595 PolarHBondContact O-N 3.41Å; L591-N595 PolarHBondContact O-ND2 3.25Å; A592-N595 PolarHBondContact O-N 2.84Å; N595-R598 PolarHBondContact O-N 3.33Å; N595-R598 PolarHBondContact OD1-NH1 3Å; N595-M599 WeakPolarHBondContact O-CB 3.5Å; N595-M599 VanDerWaalsContact O-CG 3.3Å; N595-M599 WeakPolarHBondContact O-CG 3.42Å; N595-M599 PolarHBondContact O-N 2.99Å
596	E	93.9	Very high	93	Very high	111 Å²	111	85 Å²	85	52%	0.519	43%	0.432	S	S	.	.	H	α-helix	trans	-57.5	-47.8	166.9	-168	-155.5	154.2	0	0	111.4	A592 R598 M599 K600	A592-E596 PolarHBondContact O-N 3.24Å; E596-R598 PolarHBondContact O-N 3.44Å; E596-M599 PolarHBondContact O-N 2.92Å; E596-K600 VanDerWaalsContact O-CB 3.3Å; E596-K600 WeakPolarHBondContact O-CB 3.41Å; E596-K600 PolarHBondContact O-N 3.31Å
597	Q	90.5	Very high	93	Very high	104 Å²	104	84.4 Å²	84.4	49%	0.486	44%	0.44	S	S	.	.	H	α-helix	trans	-61.8	-41.2	178.1	-74.4	175.5	-31.3	0	0	112.4	R593 V594 A601	R593-Q597 WeakPolarHBondContact O-CB 3.36Å; R593-Q597 VanDerWaalsContact O-CG 3.26Å; R593-Q597 WeakPolarHBondContact O-CG 3.34Å; R593-Q597 PolarHBondContact O-N 3.39Å; R593-Q597 VanDerWaalsContact O-N 3.1Å; V594-Q597 PolarHBondContact O-N 3.19Å; Q597-A601 WeakPolarHBondContact O-CB 3.43Å; Q597-A601 PolarHBondContact O-N 2.86Å
598	R	90.7	Very high	93.1	Very high	97 Å²	97	88.4 Å²	88.4	37%	0.366	46%	0.46	S	S	.	.	H	α-helix	trans	-68.1	-44.2	176.5	-73	167	174.3	172	-10.8	112.5	E561 V594 N595 E596 A601 A602	E561-R598 IonicContact OE1-CZ 3.09Å; E561-R598 VanDerWaalsContact OE1-CZ 3.26Å; E561-R598 IonicContact OE1-NH1 3.81Å; E561-R598 PolarHBondContact OE1-NH1 3.39Å; E561-R598 IonicContact OE1-NH2 2.85Å; E561-R598 PolarHBondContact OE1-NH2 3.27Å; V594-R598 HydrophobicContact CG1-CG 4.4Å; V594-R598 VanDerWaalsContact CG1-CZ 3.46Å; V594-R598 VanDerWaalsContact O-CG 3.32Å; V594-R598 WeakPolarHBondContact O-CG 3.38Å; V594-R598 PolarHBondContact O-N 2.85Å; N595-R598 PolarHBondContact O-N 3.33Å; N595-R598 PolarHBondContact OD1-NH1 3Å; E596-R598 PolarHBondContact O-N 3.44Å; R598-A601 PolarHBondContact O-N 3.1Å; R598-A602 WeakPolarHBondContact O-CB 3.31Å; R598-A602 PolarHBondContact O-N 3.42Å
599	M	91.7	Very high	93	Very high	120 Å²	120	86.2 Å²	86.2	59%	0.591	46%	0.455	S	S	*	.	H	α-helix	trans	-59.4	-48.4	175.1	-73.1	-173.9	-60.2	0	0	110.5	N595 E596 A601 A602 E603	N595-M599 WeakPolarHBondContact O-CB 3.5Å; N595-M599 VanDerWaalsContact O-CG 3.3Å; N595-M599 WeakPolarHBondContact O-CG 3.42Å; N595-M599 PolarHBondContact O-N 2.99Å; E596-M599 PolarHBondContact O-N 2.92Å; M599-A601 VanDerWaalsContact C-N 3.26Å; M599-A601 PolarHBondContact O-N 3.11Å; M599-A602 PolarHBondContact O-N 2.85Å; M599-A602 VanDerWaalsContact O-N 3.14Å; M599-E603 WeakPolarHBondContact O-CB 3.46Å; M599-E603 WeakPolarHBondContact O-CG 3.36Å; M599-E603 PolarHBondContact O-N 3.19Å
600	K	94.3	Very high	92.9	Very high	119 Å²	119	87 Å²	87	52%	0.517	45%	0.452	S	S	.	.	H	α-helix	trans	-65.7	-25.1	178.5	-165.8	170.2	-166.4	161.2	0	114	E596 K604	E596-K600 VanDerWaalsContact O-CB 3.3Å; E596-K600 WeakPolarHBondContact O-CB 3.41Å; E596-K600 PolarHBondContact O-N 3.31Å; K600-K604 WeakPolarHBondContact O-CG 3.42Å; K600-K604 PolarHBondContact O-N 2.92Å
601	A	91.8	Very high	92.8	Very high	52 Å²	52	90.6 Å²	90.6	43%	0.43	47%	0.47	S	S	.	.	H	α-helix	trans	-74.6	-48.4	170.1	0	0	0	0	0	111	Q597 R598 M599 E603 K604 E605	Q597-A601 WeakPolarHBondContact O-CB 3.43Å; Q597-A601 PolarHBondContact O-N 2.86Å; R598-A601 PolarHBondContact O-N 3.1Å; M599-A601 VanDerWaalsContact C-N 3.26Å; M599-A601 PolarHBondContact O-N 3.11Å; A601-E603 VanDerWaalsContact C-N 3.34Å; A601-E603 PolarHBondContact O-N 3.29Å; A601-K604 WeakPolarHBondContact O-CB 3.36Å; A601-K604 PolarHBondContact O-N 3.03Å; A601-K604 VanDerWaalsContact O-N 3.14Å; A601-E605 WeakPolarHBondContact O-CB 3.38Å; A601-E605 PolarHBondContact O-N 3.01Å
602	A	92.8	Very high	92.7	Very high	54 Å²	54	93.3 Å²	93.3	45%	0.446	48%	0.482	S	S	.	.	H	α-helix	trans	-62.9	-36.3	177.8	0	0	0	0	0	112.9	R598 M599 E605 A606	R598-A602 WeakPolarHBondContact O-CB 3.31Å; R598-A602 PolarHBondContact O-N 3.42Å; M599-A602 PolarHBondContact O-N 2.85Å; M599-A602 VanDerWaalsContact O-N 3.14Å; A602-E605 PolarHBondContact O-N 2.87Å; A602-A606 WeakPolarHBondContact O-CB 3.46Å; A602-A606 PolarHBondContact O-N 2.85Å
603	E	93.9	Very high	92.6	Very high	133 Å²	133	95 Å²	95	62%	0.621	48%	0.479	S	S	*	.	H	α-helix	trans	-61.4	-43.8	171.6	-76.1	174.3	166.9	0	0	111.9	M599 A601 A607	M599-E603 WeakPolarHBondContact O-CB 3.46Å; M599-E603 WeakPolarHBondContact O-CG 3.36Å; M599-E603 PolarHBondContact O-N 3.19Å; A601-E603 VanDerWaalsContact C-N 3.34Å; A601-E603 PolarHBondContact O-N 3.29Å; E603-A607 WeakPolarHBondContact O-CB 3.38Å; E603-A607 PolarHBondContact O-N 2.93Å
604	K	94.3	Very high	92.5	Very high	153 Å²	153	92 Å²	92	67%	0.665	47%	0.471	S	S	*	.	H	α-helix	trans	-66.8	-41.2	176.4	-78	178	172.5	-169.3	0	112.3	K600 A601 A607 L608	K600-K604 WeakPolarHBondContact O-CG 3.42Å; K600-K604 PolarHBondContact O-N 2.92Å; A601-K604 WeakPolarHBondContact O-CB 3.36Å; A601-K604 PolarHBondContact O-N 3.03Å; A601-K604 VanDerWaalsContact O-N 3.14Å; K604-A607 PolarHBondContact O-N 2.66Å; K604-L608 WeakPolarHBondContact O-CB 3.41Å; K604-L608 PolarHBondContact O-N 2.83Å
605	E	93	Very high	92.5	Very high	136 Å²	136	95.9 Å²	95.9	64%	0.636	49%	0.488	S	S	*	.	H	α-helix	trans	-66.2	-46.2	178	-169.4	174.8	173.8	0	0	110.6	A601 A602 A607 L608 V609	A601-E605 WeakPolarHBondContact O-CB 3.38Å; A601-E605 PolarHBondContact O-N 3.01Å; A602-E605 PolarHBondContact O-N 2.87Å; E605-A607 PolarHBondContact O-N 2.89Å; E605-L608 PolarHBondContact O-N 3.14Å; E605-V609 WeakPolarHBondContact O-CG2 3.41Å; E605-V609 PolarHBondContact O-N 3.4Å
606	A	93.9	Very high	92.4	Very high	60 Å²	60	93.4 Å²	93.4	50%	0.496	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-40.3	173.8	0	0	0	0	0	112.6	A602 V609 Q610	A602-A606 WeakPolarHBondContact O-CB 3.46Å; A602-A606 PolarHBondContact O-N 2.85Å; A606-V609 PolarHBondContact O-N 3.38Å; A606-Q610 WeakPolarHBondContact O-CB 3.39Å; A606-Q610 PolarHBondContact O-N 2.96Å
607	A	93.8	Very high	92.1	Very high	56 Å²	56	91.5 Å²	91.5	46%	0.463	47%	0.467	S	S	.	.	H	α-helix	trans	-68.2	-33.7	175.6	0	0	0	0	0	112.7	E603 K604 E605 Q611	E603-A607 WeakPolarHBondContact O-CB 3.38Å; E603-A607 PolarHBondContact O-N 2.93Å; K604-A607 PolarHBondContact O-N 2.66Å; E605-A607 PolarHBondContact O-N 2.89Å; A607-Q611 VanDerWaalsContact O-CB 3.31Å; A607-Q611 WeakPolarHBondContact O-CB 3.12Å; A607-Q611 PolarHBondContact O-N 3.04Å
608	L	94.3	Very high	91.9	Very high	88 Å²	88	92.4 Å²	92.4	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-66.7	-49.3	173	-179.4	63.1	0	0	0	110.7	K604 E605 Q610 Q611 E612	K604-L608 WeakPolarHBondContact O-CB 3.41Å; K604-L608 PolarHBondContact O-N 2.83Å; E605-L608 PolarHBondContact O-N 3.14Å; L608-Q610 VanDerWaalsContact C-N 3.33Å; L608-Q610 PolarHBondContact O-N 3.43Å; L608-Q611 CarbonylContact O-C 3.57Å; L608-Q611 WeakPolarHBondContact O-CA 3.45Å; L608-Q611 WeakPolarHBondContact O-CB 3.21Å; L608-Q611 PolarHBondContact O-N 3.11Å; L608-E612 WeakPolarHBondContact O-CG 3.36Å; L608-E612 PolarHBondContact O-N 3.24Å
609	V	94.1	Very high	91.8	Very high	81 Å²	81	92.5 Å²	92.5	49%	0.491	47%	0.471	S	S	.	.	H	α-helix	trans	-60.1	-41.5	176.4	171.1	0	0	0	0	111.4	E605 A606 E612 E613	E605-V609 WeakPolarHBondContact O-CG2 3.41Å; E605-V609 PolarHBondContact O-N 3.4Å; A606-V609 PolarHBondContact O-N 3.38Å; V609-E612 PolarHBondContact O-N 2.87Å; V609-E613 PolarHBondContact O-N 3.42Å
610	Q	90.7	Very high	91.7	Very high	112 Å²	112	90 Å²	90	52%	0.523	46%	0.457	S	S	.	.	H	α-helix	trans	-63.8	-41.9	173.1	-177	-179.5	-25.1	0	0	111.3	A606 L608 E612 E613 E614	A606-Q610 WeakPolarHBondContact O-CB 3.39Å; A606-Q610 PolarHBondContact O-N 2.96Å; L608-Q610 VanDerWaalsContact C-N 3.33Å; L608-Q610 PolarHBondContact O-N 3.43Å; Q610-E612 VanDerWaalsContact C-N 3.29Å; Q610-E612 PolarHBondContact O-N 3.27Å; Q610-E613 PolarHBondContact O-N 2.88Å; Q610-E614 HydrophobicContact CG-CG 4.42Å; Q610-E614 PolarHBondContact NE2-OE1 3.47Å; Q610-E614 WeakPolarHBondContact O-CB 3.22Å; Q610-E614 WeakPolarHBondContact O-CG 3.46Å; Q610-E614 PolarHBondContact O-N 2.85Å
611	Q	90.8	Very high	91.3	Very high	102 Å²	102	92 Å²	92	48%	0.477	46%	0.461	S	S	.	.	H	α-helix	trans	-65	-33.7	177	-166	-171.6	82.2	0	0	111.9	A607 L608 K615	A607-Q611 VanDerWaalsContact O-CB 3.31Å; A607-Q611 WeakPolarHBondContact O-CB 3.12Å; A607-Q611 PolarHBondContact O-N 3.04Å; L608-Q611 CarbonylContact O-C 3.57Å; L608-Q611 WeakPolarHBondContact O-CA 3.45Å; L608-Q611 WeakPolarHBondContact O-CB 3.21Å; L608-Q611 PolarHBondContact O-N 3.11Å; Q611-K615 HydrophobicContact CG-CD 4.47Å; Q611-K615 WeakPolarHBondContact O-CB 3.27Å; Q611-K615 WeakPolarHBondContact O-CD 3.09Å; Q611-K615 WeakPolarHBondContact O-CG 3.11Å; Q611-K615 PolarHBondContact O-N 3.1Å
612	E	91.4	Very high	91	Very high	92 Å²	92	91.6 Å²	91.6	43%	0.43	46%	0.458	S	S	.	.	H	α-helix	trans	-70.4	-43.4	173.8	-73.5	166.9	178.5	0	0	111.8	L608 V609 Q610 E614 K615 A616	L608-E612 WeakPolarHBondContact O-CG 3.36Å; L608-E612 PolarHBondContact O-N 3.24Å; V609-E612 PolarHBondContact O-N 2.87Å; Q610-E612 VanDerWaalsContact C-N 3.29Å; Q610-E612 PolarHBondContact O-N 3.27Å; E612-E614 PolarHBondContact O-N 3.43Å; E612-K615 PolarHBondContact O-N 2.71Å; E612-A616 WeakPolarHBondContact O-CB 3.13Å; E612-A616 PolarHBondContact O-N 3.02Å
613	E	92.5	Very high	90.6	Very high	100 Å²	100	96.1 Å²	96.1	47%	0.467	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-41.3	173.1	-172.9	168.8	-163.1	0	0	111.7	V609 Q610 A616 E617 P659	V609-E613 PolarHBondContact O-N 3.42Å; Q610-E613 PolarHBondContact O-N 2.88Å; E613-A616 PolarHBondContact O-N 3.16Å; E613-E617 WeakPolarHBondContact O-CB 3.34Å; E613-E617 PolarHBondContact O-N 3.08Å; E613-P659 WeakPolarHBondContact OE1-CG 3.05Å
614	E	90.7	Very high	90.2	Very high	89 Å²	89	92.7 Å²	92.7	42%	0.416	46%	0.458	S	S	.	.	H	α-helix	trans	-66.3	-41	174.6	-77	-177.8	-156.7	0	0	112.5	Q610 E612 A616 E617 Q618	Q610-E614 HydrophobicContact CG-CG 4.42Å; Q610-E614 PolarHBondContact NE2-OE1 3.47Å; Q610-E614 WeakPolarHBondContact O-CB 3.22Å; Q610-E614 WeakPolarHBondContact O-CG 3.46Å; Q610-E614 PolarHBondContact O-N 2.85Å; E612-E614 PolarHBondContact O-N 3.43Å; E614-A616 VanDerWaalsContact C-N 3.32Å; E614-A616 PolarHBondContact O-N 2.66Å; E614-E617 WeakPolarHBondContact O-CB 3.49Å; E614-E617 PolarHBondContact O-N 2.93Å; E614-Q618 WeakPolarHBondContact O-CB 3.46Å; E614-Q618 VanDerWaalsContact O-CG 3.28Å; E614-Q618 WeakPolarHBondContact O-CG 3.31Å; E614-Q618 PolarHBondContact O-N 2.85Å
615	K	91.1	Very high	89.7	Confident	92 Å²	92	91.7 Å²	91.7	40%	0.4	46%	0.455	S	S	.	.	H	α-helix	trans	-61.9	-40.2	171.1	-76.3	164	-173.9	161.5	0	111.1	Q611 E612 Q618 R619	Q611-K615 HydrophobicContact CG-CD 4.47Å; Q611-K615 WeakPolarHBondContact O-CB 3.27Å; Q611-K615 WeakPolarHBondContact O-CD 3.09Å; Q611-K615 WeakPolarHBondContact O-CG 3.11Å; Q611-K615 PolarHBondContact O-N 3.1Å; E612-K615 PolarHBondContact O-N 2.71Å; K615-Q618 PolarHBondContact O-N 3.31Å; K615-R619 VanDerWaalsContact O-CB 3.32Å; K615-R619 WeakPolarHBondContact O-CB 3.39Å; K615-R619 VanDerWaalsContact O-CG 3.27Å; K615-R619 WeakPolarHBondContact O-CG 3.44Å; K615-R619 PolarHBondContact O-N 3.25Å
616	A	89.8	Confident	89.3	Confident	10 Å²	10	92.7 Å²	92.7	8%	0.083	46%	0.458	C	S	.	.	H	α-helix	trans	-67.2	-42	176.6	0	0	0	0	0	111.7	E612 E613 E614 R619 K620	E612-A616 WeakPolarHBondContact O-CB 3.13Å; E612-A616 PolarHBondContact O-N 3.02Å; E613-A616 PolarHBondContact O-N 3.16Å; E614-A616 VanDerWaalsContact C-N 3.32Å; E614-A616 PolarHBondContact O-N 2.66Å; A616-R619 PolarHBondContact O-N 3.47Å; A616-K620 WeakPolarHBondContact O-CB 3.49Å; A616-K620 VanDerWaalsContact O-CD 3.26Å; A616-K620 WeakPolarHBondContact O-CD 3.44Å; A616-K620 WeakPolarHBondContact O-CE 3.41Å; A616-K620 WeakPolarHBondContact O-CG 3.24Å; A616-K620 PolarHBondContact O-N 2.84Å
617	E	89.1	Confident	88.7	Confident	71 Å²	71	97.4 Å²	97.4	33%	0.332	47%	0.467	S	S	.	.	H	α-helix	trans	-55.8	-51.2	169.1	-97.7	-70.5	109.3	0	0	111.8	E613 E614 R619 K620 R621	E613-E617 WeakPolarHBondContact O-CB 3.34Å; E613-E617 PolarHBondContact O-N 3.08Å; E614-E617 WeakPolarHBondContact O-CB 3.49Å; E614-E617 PolarHBondContact O-N 2.93Å; E617-R619 PolarHBondContact O-N 2.95Å; E617-K620 WeakPolarHBondContact O-CB 3.31Å; E617-K620 PolarHBondContact O-N 2.97Å; E617-K620 VanDerWaalsContact O-N 3.14Å; E617-R621 WeakPolarHBondContact O-CG 3.24Å; E617-R621 PolarHBondContact O-N 2.79Å; E617-R621 IonicContact OE2-CZ 2.69Å; E617-R621 IonicContact OE2-NE 2.75Å; E617-R621 PolarHBondContact OE2-NE 3.23Å; E617-R621 IonicContact OE2-NH2 2.82Å; E617-R621 PolarHBondContact OE2-NH2 3.46Å
618	Q	85.6	Confident	87.9	Confident	124 Å²	124	97.3 Å²	97.3	58%	0.579	47%	0.466	S	S	*	.	H	α-helix	trans	-62.3	-42.6	178.3	-70.8	175.3	28.5	0	0	111.7	E614 K615 K620 R621 A622	E614-Q618 WeakPolarHBondContact O-CB 3.46Å; E614-Q618 VanDerWaalsContact O-CG 3.28Å; E614-Q618 WeakPolarHBondContact O-CG 3.31Å; E614-Q618 PolarHBondContact O-N 2.85Å; K615-Q618 PolarHBondContact O-N 3.31Å; Q618-K620 VanDerWaalsContact C-N 3.34Å; Q618-K620 PolarHBondContact O-N 3.2Å; Q618-R621 PolarHBondContact O-N 2.93Å; Q618-A622 WeakPolarHBondContact O-CB 3.5Å; Q618-A622 PolarHBondContact O-N 2.88Å
619	R	88.1	Confident	87	Confident	98 Å²	98	98.9 Å²	98.9	37%	0.37	47%	0.474	S	S	.	.	H	α-helix	trans	-59.3	-40.6	172.3	-78.3	166.2	157.6	-173.2	-13.3	111.8	K615 A616 E617 R623 D654 E655	K615-R619 VanDerWaalsContact O-CB 3.32Å; K615-R619 WeakPolarHBondContact O-CB 3.39Å; K615-R619 VanDerWaalsContact O-CG 3.27Å; K615-R619 WeakPolarHBondContact O-CG 3.44Å; K615-R619 PolarHBondContact O-N 3.25Å; A616-R619 PolarHBondContact O-N 3.47Å; E617-R619 PolarHBondContact O-N 2.95Å; R619-R623 WeakPolarHBondContact O-CB 3.23Å; R619-R623 WeakPolarHBondContact O-CD 3.29Å; R619-R623 WeakPolarHBondContact O-CG 3.44Å; R619-R623 PolarHBondContact O-N 2.98Å; R619-D654 PolarHBondContact NH2-O 3.46Å; R619-E655 PolarHBondContact NH1-O 3.32Å
620	K	88.8	Confident	85.9	Confident	69 Å²	69	103 Å²	103	30%	0.3	49%	0.486	S	S	.	.	H	α-helix	trans	-66.2	-46.6	174.9	-68.3	154.8	-161.5	152.3	0	111.6	A616 E617 Q618 R623 A624 Q658	A616-K620 WeakPolarHBondContact O-CB 3.49Å; A616-K620 VanDerWaalsContact O-CD 3.26Å; A616-K620 WeakPolarHBondContact O-CD 3.44Å; A616-K620 WeakPolarHBondContact O-CE 3.41Å; A616-K620 WeakPolarHBondContact O-CG 3.24Å; A616-K620 PolarHBondContact O-N 2.84Å; E617-K620 WeakPolarHBondContact O-CB 3.31Å; E617-K620 PolarHBondContact O-N 2.97Å; E617-K620 VanDerWaalsContact O-N 3.14Å; Q618-K620 VanDerWaalsContact C-N 3.34Å; Q618-K620 PolarHBondContact O-N 3.2Å; K620-R623 PolarHBondContact O-N 3.45Å; K620-A624 PolarHBondContact O-N 3.25Å; K620-Q658 WeakPolarHBondContact CE-O 3.24Å; K620-Q658 PolarHBondContact NZ-O 3.39Å
621	R	87.4	Confident	84.9	Confident	160 Å²	160	105.5 Å²	105.5	60%	0.604	50%	0.495	S	S	*	.	H	α-helix	trans	-61.9	-47.9	178.1	-68.1	174.2	-168.9	-156.5	6.6	111.4	E617 Q618 R623 A624 E625	E617-R621 WeakPolarHBondContact O-CG 3.24Å; E617-R621 PolarHBondContact O-N 2.79Å; E617-R621 IonicContact OE2-CZ 2.69Å; E617-R621 IonicContact OE2-NE 2.75Å; E617-R621 PolarHBondContact OE2-NE 3.23Å; E617-R621 IonicContact OE2-NH2 2.82Å; E617-R621 PolarHBondContact OE2-NH2 3.46Å; Q618-R621 PolarHBondContact O-N 2.93Å; R621-R623 VanDerWaalsContact C-N 3.33Å; R621-R623 PolarHBondContact O-N 3.4Å; R621-A624 CarbonylContact O-C 3.6Å; R621-A624 WeakPolarHBondContact O-CA 3.37Å; R621-A624 WeakPolarHBondContact O-CB 3.44Å; R621-A624 PolarHBondContact O-N 3.48Å; R621-E625 PolarHBondContact O-N 3.42Å
622	A	84.8	Confident	83.7	Confident	43 Å²	43	108.7 Å²	108.7	36%	0.355	51%	0.507	S	S	.	.	H	α-helix	trans	-61.7	-37.2	175	0	0	0	0	0	112.9	Q618 A624 K626	Q618-A622 WeakPolarHBondContact O-CB 3.5Å; Q618-A622 PolarHBondContact O-N 2.88Å; A622-A624 VanDerWaalsContact C-N 3.34Å; A622-K626 WeakPolarHBondContact O-CB 3.4Å; A622-K626 WeakPolarHBondContact O-CG 3.42Å; A622-K626 PolarHBondContact O-N 3.23Å
623	R	85.3	Confident	82	Confident	150 Å²	150	113.3 Å²	113.3	57%	0.566	53%	0.526	S	S	*	.	H	α-helix	trans	-65	-35.5	171.4	-76	170.7	178	-177.8	1.8	111.9	R619 K620 R621 K627	R619-R623 WeakPolarHBondContact O-CB 3.23Å; R619-R623 WeakPolarHBondContact O-CD 3.29Å; R619-R623 WeakPolarHBondContact O-CG 3.44Å; R619-R623 PolarHBondContact O-N 2.98Å; K620-R623 PolarHBondContact O-N 3.45Å; R621-R623 VanDerWaalsContact C-N 3.33Å; R621-R623 PolarHBondContact O-N 3.4Å; R623-K627 WeakPolarHBondContact O-CG 3.47Å; R623-K627 PolarHBondContact O-N 2.87Å
624	A	84.3	Confident	80.1	Confident	60 Å²	60	117.7 Å²	117.7	50%	0.496	54%	0.543	S	S	.	.	H	α-helix	trans	-71.2	-43.4	175.5	0	0	0	0	0	112.5	K620 R621 A622 K627 A628	K620-A624 PolarHBondContact O-N 3.25Å; R621-A624 CarbonylContact O-C 3.6Å; R621-A624 WeakPolarHBondContact O-CA 3.37Å; R621-A624 WeakPolarHBondContact O-CB 3.44Å; R621-A624 PolarHBondContact O-N 3.48Å; A622-A624 VanDerWaalsContact C-N 3.34Å; A624-K627 WeakPolarHBondContact O-CB 3.41Å; A624-K627 PolarHBondContact O-N 2.8Å; A624-A628 PolarHBondContact O-N 3.1Å
625	E	85.3	Confident	78.2	Confident	133 Å²	133	118.8 Å²	118.8	62%	0.621	56%	0.556	S	S	*	*	H	α-helix	trans	-66.3	-42.7	176.7	-70.5	-176.1	159	0	0	112.2	R621 K627 A628 L629	R621-E625 PolarHBondContact O-N 3.42Å; E625-K627 PolarHBondContact O-N 2.69Å; E625-A628 PolarHBondContact O-N 3.36Å; E625-L629 PolarHBondContact O-N 3.24Å
626	K	83.3	Confident	75.9	Confident	156 Å²	156	125.1 Å²	125.1	68%	0.678	58%	0.578	S	S	*	*	H	α-helix	trans	-58.7	-35.6	172	-75.8	179.3	176.3	-177.6	0	111.7	A622 K630	A622-K626 WeakPolarHBondContact O-CB 3.4Å; A622-K626 WeakPolarHBondContact O-CG 3.42Å; A622-K626 PolarHBondContact O-N 3.23Å; K626-K630 WeakPolarHBondContact O-CG 3.48Å; K626-K630 PolarHBondContact O-N 3.05Å
627	K	81.3	Confident	73.3	Confident	160 Å²	160	128 Å²	128	70%	0.696	61%	0.608	S	S	*	*	H	α-helix	trans	-68.3	-42.2	171	-75.6	174.6	178.3	-177.7	0	112.2	R623 A624 E625 K630 K631	R623-K627 WeakPolarHBondContact O-CG 3.47Å; R623-K627 PolarHBondContact O-N 2.87Å; A624-K627 WeakPolarHBondContact O-CB 3.41Å; A624-K627 PolarHBondContact O-N 2.8Å; E625-K627 PolarHBondContact O-N 2.69Å; K627-K630 PolarHBondContact O-N 3.3Å; K627-K631 PolarHBondContact O-N 2.84Å
628	A	77.3	Confident	71.1	Confident	53 Å²	53	130.7 Å²	130.7	44%	0.438	63%	0.632	S	S	.	*	H	α-helix	trans	-65.9	-42	179.1	0	0	0	0	0	112.9	A624 E625 K631 K632	A624-A628 PolarHBondContact O-N 3.1Å; E625-A628 PolarHBondContact O-N 3.36Å; A628-K631 PolarHBondContact O-N 3.49Å; A628-K632 PolarHBondContact O-N 3.44Å
629	L	74.6	Confident	68.6	Low	122 Å²	122	132.2 Å²	132.2	64%	0.639	64%	0.639	S	S	*	*	H	α-helix	trans	-64	-44.9	173.6	-96	72.4	0	0	0	111.5	E625 K631 K632 K633	E625-L629 PolarHBondContact O-N 3.24Å; L629-K631 PolarHBondContact O-N 2.92Å; L629-K632 PolarHBondContact O-N 3.42Å; L629-K633 WeakPolarHBondContact O-CB 3.49Å; L629-K633 PolarHBondContact O-N 3.28Å
630	K	72.3	Confident	66.1	Low	168 Å²	168	134.7 Å²	134.7	73%	0.73	65%	0.652	S	S	*	*	H	α-helix	trans	-58	-37.9	173	-78.6	-171.4	176.7	-172.2	0	111.6	K626 K627 K634	K626-K630 WeakPolarHBondContact O-CG 3.48Å; K626-K630 PolarHBondContact O-N 3.05Å; K627-K630 PolarHBondContact O-N 3.3Å; K630-K634 PolarHBondContact O-N 2.91Å
631	K	68.6	Low	63.3	Low	163 Å²	163	142.7 Å²	142.7	71%	0.709	68%	0.681	S	S	*	*	H	α-helix	trans	-66.7	-48.1	175.6	-158.7	171.8	-175.2	179.1	0	112.2	K627 A628 L629 K633 K634 T635	K627-K631 PolarHBondContact O-N 2.84Å; A628-K631 PolarHBondContact O-N 3.49Å; L629-K631 PolarHBondContact O-N 2.92Å; K631-K633 PolarHBondContact O-N 3.26Å; K631-K634 PolarHBondContact O-N 3.36Å; K631-T635 PolarHBondContact O-OG1 2.69Å
632	K	65.5	Low	60.5	Low	170 Å²	170	138.6 Å²	138.6	74%	0.739	69%	0.688	S	S	*	*	H	α-helix	trans	-61	-39.6	175.2	-87.5	-173.8	173.7	179.4	0	112.9	A628 L629 K634 T635	A628-K632 PolarHBondContact O-N 3.44Å; L629-K632 PolarHBondContact O-N 3.42Å; K632-K634 VanDerWaalsContact C-N 3.28Å; K632-K634 PolarHBondContact O-N 3.21Å; K632-T635 WeakPolarHBondContact CA-OG1 3.39Å; K632-T635 PolarHBondContact O-N 3.25Å; K632-T635 PolarHBondContact O-OG1 3.25Å
633	K	57.2	Low	58	Low	189 Å²	189	140.5 Å²	140.5	82%	0.822	70%	0.704	S	S	*	*	H	α-helix	trans	-70.4	-22.3	179.3	-153.2	175	-174.6	-177.7	0	112.7	L629 K631	L629-K633 WeakPolarHBondContact O-CB 3.49Å; L629-K633 PolarHBondContact O-N 3.28Å; K631-K633 PolarHBondContact O-N 3.26Å
634	K	51.3	Low	55.4	Low	192 Å²	192	140.4 Å²	140.4	84%	0.835	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-6.5	173.2	-149.9	178	-175.8	-176.8	0	114	K630 K631 K632	K630-K634 PolarHBondContact O-N 2.91Å; K631-K634 PolarHBondContact O-N 3.36Å; K632-K634 VanDerWaalsContact C-N 3.28Å; K632-K634 PolarHBondContact O-N 3.21Å
635	T	50.8	Low	52.9	Low	112 Å²	112	145.9 Å²	145.9	69%	0.687	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	10.3	-179.7	40.5	0	0	0	0	115.4	K631 K632	K631-T635 PolarHBondContact O-OG1 2.69Å; K632-T635 WeakPolarHBondContact CA-OG1 3.39Å; K632-T635 PolarHBondContact O-N 3.25Å; K632-T635 PolarHBondContact O-OG1 3.25Å
636	R	43.4	Very low	50.3	Low	225 Å²	225	146.4 Å²	146.4	85%	0.849	74%	0.737	S	S	*	*	S	Bend	trans	-116.5	121.9	162.2	-74	-177	69	171.8	-0.1	108.6
637	G	35.5	Very low	47.7	Very low	71 Å²	71	145.4 Å²	145.4	73%	0.732	74%	0.739	S	S	*	*			trans	-70.1	168.5	179.2	0	0	0	0	0	113.4
638	P	42.7	Very low	45.4	Very low	127 Å²	127	143.8 Å²	143.8	83%	0.825	73%	0.734	S	S	*	*			trans	-91.5	148.9	-168.1	35.4	-35	0	0	0	113.8
639	E	32.2	Very low	43.2	Very low	156 Å²	156	148.7 Å²	148.7	73%	0.729	75%	0.745	S	S	*	*			trans	-147.8	131.5	148.1	-107.3	-155.4	119.7	0	0	113.2
640	K	36.4	Very low	41	Very low	150 Å²	150	149 Å²	149	65%	0.652	74%	0.743	S	S	*	*			trans	52.2	113.8	150.4	-71.9	169.7	-177.5	147.1	0	122
641	R	29.9	Very low	38.8	Very low	237 Å²	237	152.1 Å²	152.1	89%	0.894	75%	0.751	S	S	*	*			trans	73.7	130	130.8	-61.5	173.2	179.6	174.1	-2.3	120
642	G	29.4	Very low	36.9	Very low	74 Å²	74	147.3 Å²	147.3	76%	0.763	75%	0.747	S	S	*	*			trans	135	114.5	136.7	0	0	0	0	0	116.3
643	A	31	Very low	35.1	Very low	82 Å²	82	146.6 Å²	146.6	68%	0.678	75%	0.751	S	S	*	*			trans	46.7	112.4	146.4	0	0	0	0	0	121.1
644	D	31.3	Very low	33.8	Very low	148 Å²	148	142.1 Å²	142.1	79%	0.791	74%	0.737	S	S	*	*				72.4	144.2	116.1	-47.3	-28.2	0	0	0	123.8
645	E	31.6	Very low	32.8	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.822	72%	0.717	S	S	*	*			trans	69	107.4	151.2	-74.6	171	-168.6	0	0	122.4
646	D	31	Very low	31.8	Very low	144 Å²	144	138.6 Å²	138.6	77%	0.77	72%	0.715	S	S	*	*				75.8	106.3	117.2	-76.8	27.9	0	0	0	124.5
647	N	29.1	Very low	31.2	Very low	135 Å²	135	132.6 Å²	132.6	72%	0.722	70%	0.697	S	S	*	*				97	154.9	109.7	-157	20.4	0	0	0	120.5
648	E	31.6	Very low	31.2	Very low	126 Å²	126	135.1 Å²	135.1	59%	0.589	69%	0.69	S	S	*	*			trans	67.7	113.6	170	-55.3	-147.2	132.5	0	0	117.7
649	K	31.3	Very low	30.6	Very low	155 Å²	155	133 Å²	133	67%	0.674	68%	0.676	S	S	*	*				74.4	154.4	92.4	-67.8	170.5	-178.9	171.3	0	112.8
650	E	28.1	Very low	30.7	Very low	128 Å²	128	129.6 Å²	129.6	60%	0.598	67%	0.669	S	S	*	*			cis	-161	169	6	-139.4	168.6	110.2	0	0	109.7
651	W	27.8	Very low	30.3	Very low	235 Å²	235	130.6 Å²	130.6	89%	0.89	67%	0.673	S	S	*	*			trans	58.4	152.2	170.6	-55.2	101	0	0	0	117.8
652	G	27.4	Very low	30.2	Very low	61 Å²	61	129.8 Å²	129.8	63%	0.629	67%	0.671	S	S	*	*			cis	173	160.9	-1.5	0	0	0	0	0	109.8
653	D	28.6	Very low	30	Very low	155 Å²	155	136.6 Å²	136.6	83%	0.829	67%	0.673	S	S	*	*			trans	-61.1	155	-172	-70.5	-63.6	0	0	0	115.6
654	D	29.1	Very low	29.7	Very low	96 Å²	96	142.3 Å²	142.3	51%	0.513	68%	0.677	S	S	.	*				-179.6	167.8	86	-133.2	-39.5	0	0	0	114.3	R619	R619-D654 PolarHBondContact NH2-O 3.46Å
655	E	31.8	Very low	29.5	Very low	92 Å²	92	141.6 Å²	141.6	43%	0.43	68%	0.678	S	S	.	*			trans	-67.6	167.2	179.7	-61	-170.6	121.3	0	0	114.2	R619 R708	R619-E655 PolarHBondContact NH1-O 3.32Å; E655-R708 IonicContact OE2-CZ 2.77Å; E655-R708 IonicContact OE2-NE 3.17Å; E655-R708 PolarHBondContact OE2-NE 3.1Å; E655-R708 IonicContact OE2-NH2 2.6Å; E655-R708 PolarHBondContact OE2-NH2 3.21Å
656	E	29	Very low	29.1	Very low	138 Å²	138	140.6 Å²	140.6	65%	0.645	67%	0.673	S	S	*	*			trans	141.1	-179.5	137	-72.6	-171.2	165	0	0	115.6
657	E	29.7	Very low	28.8	Very low	98 Å²	98	140.7 Å²	140.7	46%	0.458	67%	0.674	S	S	.	*				-106.4	166.3	-125	-80.7	-133.3	98	0	0	118
658	Q	35.8	Very low	28.6	Very low	125 Å²	125	139.6 Å²	139.6	58%	0.584	68%	0.677	S	S	*	*			trans	28.2	-156.7	150.1	-49.6	-172.3	43.6	0	0	118.1	K620	K620-Q658 WeakPolarHBondContact CE-O 3.24Å; K620-Q658 PolarHBondContact NZ-O 3.39Å
659	P	29.7	Very low	28.5	Very low	83 Å²	83	141.2 Å²	141.2	54%	0.539	69%	0.688	S	S	.	*			cis	-108.2	-177.9	18.9	22	1.6	0	0	0	113.7	E613	E613-P659 WeakPolarHBondContact OE1-CG 3.05Å
660	S	36.2	Very low	28.3	Very low	83 Å²	83	139.8 Å²	139.8	58%	0.58	69%	0.694	S	S	*	*			trans	-107.8	160.3	172.1	59.2	0	0	0	0	112
661	K	28.1	Very low	28.2	Very low	171 Å²	171	138.5 Å²	138.5	74%	0.743	71%	0.706	S	S	*	*			trans	164.1	135.4	131.5	-88.9	148.4	-160.9	160.5	0	115.2
662	R	25.9	Very low	28.2	Very low	221 Å²	221	132.4 Å²	132.4	83%	0.834	71%	0.705	S	S	*	*			trans	70	164.8	143.9	-65.1	170.8	175.4	178.2	-3.1	116
663	R	25.8	Very low	28.1	Very low	216 Å²	216	132.8 Å²	132.8	82%	0.815	71%	0.709	S	S	*	*			cis	-153	159.2	10.4	-150.2	178.3	-179.4	171.2	-0.4	113.6
664	R	25.1	Very low	28.1	Very low	203 Å²	203	133.5 Å²	133.5	77%	0.766	71%	0.708	S	S	*	*			trans	83	120.3	144.3	-155.2	169.3	-173.5	157	2.5	118.2
665	V	27.5	Very low	28	Very low	133 Å²	133	136.1 Å²	136.1	81%	0.806	73%	0.727	S	S	*	*			trans	-85.7	150.5	166.3	173.4	0	0	0	0	109.4
666	E	23.1	Very low	27.8	Very low	155 Å²	155	138.8 Å²	138.8	72%	0.724	74%	0.74	S	S	*	*			trans	-140	153.5	155.1	-142.8	152.7	-109.3	0	0	109.9
667	N	25.1	Very low	27.7	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	74%	0.738	S	S	*	*			trans	-30.4	143.7	-169.7	-54.1	-21.7	0	0	0	117.2
668	S	24.8	Very low	27.6	Very low	113 Å²	113	139.1 Å²	139.1	79%	0.79	75%	0.748	S	S	*	*				-175.1	153.9	73	-63.6	0	0	0	0	113.4
669	I	28	Very low	27.1	Very low	160 Å²	160	140.8 Å²	140.8	82%	0.821	76%	0.756	S	S	*	*			trans	-131.7	127	167.5	-63.7	172.2	0	0	0	109.1
670	P	27.5	Very low	27	Very low	125 Å²	125	142.2 Å²	142.2	81%	0.812	76%	0.763	S	S	*	*			trans	-96.2	151.6	154	35	-27.9	0	0	0	110.9
671	A	26.8	Very low	26.5	Very low	101 Å²	101	142.8 Å²	142.8	84%	0.835	77%	0.772	S	S	*	*			trans	-130.6	156	-178.4	0	0	0	0	0	111.9
672	A	26.9	Very low	26.4	Very low	107 Å²	107	139.2 Å²	139.2	88%	0.884	78%	0.775	S	S	*	*			trans	-175.9	160.4	155.9	0	0	0	0	0	111.5
673	G	26.3	Very low	26.2	Very low	69 Å²	69	132.3 Å²	132.3	71%	0.711	77%	0.772	S	S	*	*			trans	99.4	66.9	174.1	0	0	0	0	0	113.8
674	E	27.7	Very low	26.4	Very low	170 Å²	170	128.7 Å²	128.7	79%	0.794	78%	0.777	S	S	*	*				67.1	104.3	68.8	-64.2	-157.2	128.4	0	0	116.1
675	T	27	Very low	26.4	Very low	150 Å²	150	124 Å²	124	92%	0.92	78%	0.781	S	S	*	*			trans	-148.4	113.5	134.4	14.2	0	0	0	0	112
676	Q	27.3	Very low	26.2	Very low	148 Å²	148	121.1 Å²	121.1	69%	0.692	78%	0.779	S	S	*	*			trans	-38.4	162.1	161	-74.9	175.7	20.4	0	0	115.9
677	N	26.6	Very low	26.3	Very low	114 Å²	114	123.9 Å²	123.9	61%	0.61	79%	0.788	S	S	*	*			cis	-168.9	158	10.3	-119.4	-10.5	0	0	0	114
678	I	28.8	Very low	26.1	Very low	130 Å²	130	123 Å²	123	67%	0.667	79%	0.792	S	S	*	*			trans	60.9	142.3	136.7	-67.2	170.6	0	0	0	119.6
679	E	25.9	Very low	26.3	Very low	160 Å²	160	122.2 Å²	122.2	75%	0.748	79%	0.792	S	S	*	*			cis	-173	171.8	-11.4	-100.6	-162	115.9	0	0	108.3
680	V	27.6	Very low	26	Very low	113 Å²	113	120.4 Å²	120.4	69%	0.685	79%	0.788	S	S	*	*			cis	-167.8	147.9	-27.1	70.6	0	0	0	0	110.9
681	A	25.3	Very low	25.9	Very low	95 Å²	95	120.7 Å²	120.7	79%	0.785	79%	0.788	S	S	*	*			trans	61.2	161.9	162.2	0	0	0	0	0	120.1
682	A	24.8	Very low	25.8	Very low	96 Å²	96	122.9 Å²	122.9	79%	0.793	79%	0.786	S	S	*	*			cis	-152.7	137.9	3.5	0	0	0	0	0	114.7
683	G	22.2	Very low	25.7	Very low	76 Å²	76	123.1 Å²	123.1	78%	0.784	78%	0.776	S	S	*	*			trans	69.5	178	154.1	0	0	0	0	0	119.2
684	P	30.9	Very low	25.5	Very low	140 Å²	140	127.8 Å²	127.8	91%	0.909	78%	0.779	S	S	*	*			cis	-112.8	-166.4	-8.6	41.9	-30	0	0	0	112.6
685	A	24.2	Very low	25.5	Very low	104 Å²	104	125.3 Å²	125.3	86%	0.86	78%	0.778	S	S	*	*			trans	-103.3	144.5	-173.3	0	0	0	0	0	115.5
686	G	24.1	Very low	25.7	Very low	73 Å²	73	123.2 Å²	123.2	75%	0.753	77%	0.767	S	S	*	*			trans	101.7	116.1	141.9	0	0	0	0	0	119.1
687	K	24.9	Very low	25.6	Very low	213 Å²	213	121.1 Å²	121.1	93%	0.926	77%	0.768	S	S	*	*			trans	-167.8	173.2	135.4	-109.3	164.6	-172	178.1	0	113.2
688	C	20.2	Very low	25.6	Very low	127 Å²	127	124.9 Å²	124.9	86%	0.858	78%	0.779	S	S	*	*			trans	-63.3	165.1	-165.9	-58.9	0	0	0	0	116.2
689	A	28.6	Very low	25.5	Very low	95 Å²	95	128.4 Å²	128.4	79%	0.785	79%	0.793	S	S	*	*			trans	-77.4	153	168	0	0	0	0	0	112.9
690	T	23.2	Very low	25.5	Very low	122 Å²	122	128.8 Å²	128.8	75%	0.748	79%	0.792	S	S	*	*			trans	-127.6	155.9	156.4	51.1	0	0	0	0	108.6
691	V	24.9	Very low	25.5	Very low	131 Å²	131	130.2 Å²	130.2	79%	0.794	79%	0.791	S	S	*	*			trans	-125.4	114.1	172.5	177	0	0	0	0	106.7	V693	V691-V693 HydrophobicContact CG1-CG2 4.49Å
692	D	24.3	Very low	25.4	Very low	148 Å²	148	136.1 Å²	136.1	79%	0.791	80%	0.799	S	S	*	*			trans	-98.1	152.3	177.2	-72.7	-67.8	0	0	0	111.2
693	V	24.4	Very low	25.3	Very low	112 Å²	112	136.4 Å²	136.4	68%	0.679	80%	0.801	S	S	*	*			trans	-139.8	142.9	-158.1	173.1	0	0	0	0	111	V691	V691-V693 HydrophobicContact CG1-CG2 4.49Å
694	E	22.2	Very low	25.5	Very low	166 Å²	166	137.2 Å²	137.2	78%	0.776	80%	0.801	S	S	*	*			trans	68.3	168.1	165.5	-86.1	-174.7	-151.9	0	0	118.3
695	P	28.2	Very low	25.4	Very low	118 Å²	118	134.5 Å²	134.5	77%	0.766	79%	0.785	S	S	*	*			cis	-121.9	163.3	5.6	40.1	-26.6	0	0	0	116.9
696	P	31.1	Very low	25.8	Very low	107 Å²	107	138.5 Å²	138.5	70%	0.695	79%	0.791	S	S	*	*			trans	-104.4	163.7	177.5	39.7	-34.6	0	0	0	114.2
697	S	25.4	Very low	26	Very low	104 Å²	104	143 Å²	143	73%	0.727	79%	0.79	S	S	*	*			trans	-176.6	162.2	135.6	58.1	0	0	0	0	114.3
698	K	25.9	Very low	26.1	Very low	193 Å²	193	141.4 Å²	141.4	84%	0.839	78%	0.778	S	S	*	*			trans	71.2	103	163.3	-61.9	176.1	-175.1	175.7	0	119.2
699	Q	28.3	Very low	26.5	Very low	204 Å²	204	141.9 Å²	141.9	95%	0.953	77%	0.772	S	S	*	*			trans	-125.9	162.3	133.8	-79.3	-165.2	-15.2	0	0	109.8
700	K	24.6	Very low	26.6	Very low	167 Å²	167	142.5 Å²	142.5	73%	0.726	76%	0.76	S	S	*	*			trans	-133.6	160.6	-168.4	-151.9	-174.6	177.7	-141.2	0	109.4
701	E	27	Very low	27.2	Very low	144 Å²	144	141.8 Å²	141.8	67%	0.673	76%	0.758	S	S	*	*			trans	60.6	111.1	160.8	-76	139	-166.8	0	0	120
702	K	24.1	Very low	27.6	Very low	219 Å²	219	145.3 Å²	145.3	95%	0.952	76%	0.762	S	S	*	*			trans	-114.3	107.8	144.7	-89.2	-171.9	174.5	-177.4	0	108.7
703	A	23.7	Very low	28.6	Very low	101 Å²	101	143.3 Å²	143.3	84%	0.835	76%	0.755	S	S	*	*			trans	-160.5	51	172.1	0	0	0	0	0	113.1
704	A	25.6	Very low	29.8	Very low	93 Å²	93	145.5 Å²	145.5	77%	0.769	76%	0.762	S	S	*	*			trans	-146	118.2	179.4	0	0	0	0	0	114.8
705	S	28.1	Very low	31.2	Very low	83 Å²	83	141.6 Å²	141.6	58%	0.58	74%	0.744	S	S	*	*			trans	52.7	107.4	164	70.4	0	0	0	0	119.2	K707	S705-K707 WeakPolarHBondContact OG-CE 3.34Å
706	L	33.9	Very low	32.7	Very low	189 Å²	189	139.8 Å²	139.8	99%	0.99	73%	0.728	S	S	*	*			trans	-60.1	129.3	140.9	-73.6	163	0	0	0	108.8
707	K	27.4	Very low	34.2	Very low	167 Å²	167	136.9 Å²	136.9	73%	0.726	71%	0.71	S	S	*	*			trans	-134.6	119.4	168.1	-70	173	-178.3	160.9	0	107	S705 D709	S705-K707 WeakPolarHBondContact OG-CE 3.34Å; K707-D709 PolarHBondContact O-N 3.49Å
708	R	28	Very low	36	Very low	179 Å²	179	136.3 Å²	136.3	68%	0.675	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-63.5	126.3	167.4	-79.5	168.1	91.9	133.2	-7.2	107.5	E655 M710	E655-R708 IonicContact OE2-CZ 2.77Å; E655-R708 IonicContact OE2-NE 3.17Å; E655-R708 PolarHBondContact OE2-NE 3.1Å; E655-R708 IonicContact OE2-NH2 2.6Å; E655-R708 PolarHBondContact OE2-NH2 3.21Å; R708-M710 PolarHBondContact O-N 2.86Å
709	D	28.5	Very low	37.9	Very low	137 Å²	137	130.4 Å²	130.4	73%	0.733	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-77	116.3	175.7	-107.4	-45.3	0	0	0	109.5	K707	K707-D709 PolarHBondContact O-N 3.49Å
710	M	29.7	Very low	39.8	Very low	109 Å²	109	122.3 Å²	122.3	54%	0.537	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-90.6	130.2	161.6	-78.7	-156.1	-53.8	0	0	108.8	R708 K712	R708-M710 PolarHBondContact O-N 2.86Å; M710-K712 PolarHBondContact O-N 3.44Å
711	P	35.6	Very low	41.8	Very low	107 Å²	107	117.4 Å²	117.4	70%	0.695	63%	0.63	S	S	*	*			trans	-63.2	113.8	179.7	24.6	-33.5	0	0	0	111.1	V713	P711-V713 VanDerWaalsContact C-N 3.33Å; P711-V713 PolarHBondContact O-N 3.43Å
712	K	34.7	Very low	44.4	Very low	204 Å²	204	112.4 Å²	112.4	89%	0.887	61%	0.608	S	S	*	*			trans	-63.7	91.6	167.5	-87.1	-177.7	173.3	176.6	0	109.7	M710 L714	M710-K712 PolarHBondContact O-N 3.44Å; K712-L714 PolarHBondContact O-N 3.17Å
713	V	45.2	Very low	47	Very low	106 Å²	106	102.7 Å²	102.7	64%	0.642	57%	0.567	S	S	*	*			trans	-63.3	109.1	167.7	-178	0	0	0	0	108	P711	P711-V713 VanDerWaalsContact C-N 3.33Å; P711-V713 PolarHBondContact O-N 3.43Å
714	L	48.3	Very low	49.8	Very low	158 Å²	158	98 Å²	98	83%	0.827	53%	0.527	S	S	*	.			trans	-57.8	143.3	176.3	-72.1	167	0	0	0	110.5	K712	K712-L714 PolarHBondContact O-N 3.17Å
715	H	51.6	Low	52.4	Low	85 Å²	85	95.3 Å²	95.3	39%	0.394	50%	0.499	S	S	.	.			trans	-81.6	121.2	178.5	175.6	56.7	0	0	0	109.7	S717 D720 C798 D800	H715-S717 PolarHBondContact O-N 3.33Å; H715-D720 IonicContact NE2-OD1 2.69Å; H715-D720 PolarHBondContact NE2-OD1 3.49Å; H715-C798 PolarHBondContact NE2-SG 2.93Å; H715-D800 IonicContact CD2-OD1 3.44Å; H715-D800 IonicContact CD2-OD2 3.04Å; H715-D800 PolarHBondContact CD2-OD2 3.26Å
716	D	60.9	Low	54.9	Low	80 Å²	80	91.4 Å²	91.4	43%	0.428	47%	0.471	S	S	.	.			trans	-92.8	85.4	179.5	179.5	5.9	0	0	0	109.6	S718 K719	D716-S718 VanDerWaalsContact CG-OG 3.3Å; D716-S718 PolarHBondContact O-N 2.9Å; D716-S718 WeakPolarHBondContact OD1-CB 3.31Å; D716-S718 PolarHBondContact OD1-N 3.37Å; D716-S718 PolarHBondContact OD1-OG 3.47Å; D716-S718 PolarHBondContact OD2-OG 3.24Å; D716-K719 HydrophobicContact CB-CD 4.47Å; D716-K719 WeakPolarHBondContact O-CB 3.38Å; D716-K719 PolarHBondContact O-N 3.26Å; D716-K719 WeakPolarHBondContact OD2-CE 3.38Å
717	S	62.1	Low	56.9	Low	46 Å²	46	83.4 Å²	83.4	32%	0.322	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	4	-177.8	64.2	0	0	0	0	115.4	H715 K803	H715-S717 PolarHBondContact O-N 3.33Å; S717-K803 PolarHBondContact OG-NZ 2.7Å
718	S	62.9	Low	59.1	Low	92 Å²	92	78 Å²	78	64%	0.643	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.4	165.6	72.8	0	0	0	0	113	D716	D716-S718 VanDerWaalsContact CG-OG 3.3Å; D716-S718 PolarHBondContact O-N 2.9Å; D716-S718 WeakPolarHBondContact OD1-CB 3.31Å; D716-S718 PolarHBondContact OD1-N 3.37Å; D716-S718 PolarHBondContact OD1-OG 3.47Å; D716-S718 PolarHBondContact OD2-OG 3.24Å
719	K	64.9	Low	61.4	Low	69 Å²	69	69.5 Å²	69.5	30%	0.3	38%	0.378	S	S	.	.	S	Bend	trans	-110.9	7.4	-174.4	-60.5	-174.7	168	-157.2	0	114.9	D716 S721 I722 T723 E770	D716-K719 HydrophobicContact CB-CD 4.47Å; D716-K719 WeakPolarHBondContact O-CB 3.38Å; D716-K719 PolarHBondContact O-N 3.26Å; D716-K719 WeakPolarHBondContact OD2-CE 3.38Å; K719-S721 VanDerWaalsContact C-N 3.29Å; K719-S721 PolarHBondContact O-N 3.27Å; K719-I722 HydrophobicContact CB-CD1 4.21Å; K719-I722 HydrophobicContact CB-CG1 3.99Å; K719-I722 HydrophobicContact CG-CD1 4.28Å; K719-I722 WeakPolarHBondContact O-CG1 3.44Å; K719-I722 PolarHBondContact O-N 3.46Å; K719-I722 VanDerWaalsContact O-N 3.1Å; K719-T723 PolarHBondContact O-N 2.94Å; K719-T723 PolarHBondContact O-OG1 2.97Å; K719-E770 IonicContact NZ-OE1 3.38Å; K719-E770 PolarHBondContact NZ-OE1 3.38Å; K719-E770 IonicContact NZ-OE2 2.63Å
720	D	68.3	Low	63.4	Low	33 Å²	33	63.2 Å²	63.2	18%	0.176	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-63.6	-34.6	-173.1	-66.9	-8.4	0	0	0	112.3	H715 I722 T723	H715-D720 IonicContact NE2-OD1 2.69Å; H715-D720 PolarHBondContact NE2-OD1 3.49Å; D720-I722 VanDerWaalsContact C-N 3.3Å; D720-I722 PolarHBondContact O-N 2.78Å; D720-T723 WeakPolarHBondContact CA-OG1 3.42Å; D720-T723 PolarHBondContact O-N 3.4Å; D720-T723 PolarHBondContact O-OG1 3.21Å
721	S	68.4	Low	65.4	Low	64 Å²	64	63.8 Å²	63.8	45%	0.448	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-71.4	-17.9	176.3	56.5	0	0	0	0	114.9	K719	K719-S721 VanDerWaalsContact C-N 3.29Å; K719-S721 PolarHBondContact O-N 3.27Å
722	I	79.9	Confident	66.8	Low	40 Å²	40	63.3 Å²	63.3	21%	0.205	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-107.8	6.5	178.2	62.9	170.8	0	0	0	112.8	K719 D720 E770 F771 E774	K719-I722 HydrophobicContact CB-CD1 4.21Å; K719-I722 HydrophobicContact CB-CG1 3.99Å; K719-I722 HydrophobicContact CG-CD1 4.28Å; K719-I722 WeakPolarHBondContact O-CG1 3.44Å; K719-I722 PolarHBondContact O-N 3.46Å; K719-I722 VanDerWaalsContact O-N 3.1Å; D720-I722 VanDerWaalsContact C-N 3.3Å; D720-I722 PolarHBondContact O-N 2.78Å; I722-E770 HydrophobicContact CD1-CG 4.44Å; I722-F771 PolarHBondContact O-N 2.67Å; I722-E774 HydrophobicContact CG2-CB 4.29Å
723	T	79.6	Confident	68.3	Low	14 Å²	14	53.9 Å²	53.9	9%	0.086	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.4	-179	45.9	0	0	0	0	112.4	K719 D720 V769 E770 C798	K719-T723 PolarHBondContact O-N 2.94Å; K719-T723 PolarHBondContact O-OG1 2.97Å; D720-T723 WeakPolarHBondContact CA-OG1 3.42Å; D720-T723 PolarHBondContact O-N 3.4Å; D720-T723 PolarHBondContact O-OG1 3.21Å; T723-V769 CarbonylContact C-O 3.59Å; T723-V769 VanDerWaalsContact CA-O 3.3Å; T723-V769 WeakPolarHBondContact CA-O 3.33Å; T723-E770 HydrophobicContact CG2-CB 3.76Å; T723-E770 HydrophobicContact CG2-CG 3.81Å; T723-C798 WeakPolarHBondContact O-CB 3.31Å; T723-C798 PolarHBondContact O-N 2.9Å; T723-C798 WeakPolarHBondContact OG1-CB 3.49Å
724	V	82.4	Confident	69	Low	2 Å²	2	56.6 Å²	56.6	1%	0.012	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.6	172.3	-58.1	0	0	0	0	111.2	V726 Y768 V769 F771 A777 A780 L781 V795 S796	V724-V726 HydrophobicContact CG2-CG2 4.22Å; V724-Y768 CarbonylContact O-C 3.53Å; V724-Y768 WeakPolarHBondContact O-CA 3.34Å; V724-V769 HydrophobicContact CG2-CB 3.85Å; V724-V769 PolarHBondContact N-O 2.96Å; V724-V769 PolarHBondContact O-N 3.33Å; V724-F771 HydrophobicContact CG1-CE2 4.49Å; V724-F771 HydrophobicContact CG2-CE2 3.83Å; V724-A777 HydrophobicContact CG1-CB 3.99Å; V724-A780 HydrophobicContact CG1-CB 4.29Å; V724-A780 HydrophobicContact CG2-CB 4.21Å; V724-L781 HydrophobicContact CG1-CD2 4.3Å; V724-V795 HydrophobicContact CB-CG1 3.93Å; V724-V795 HydrophobicContact CG1-CG1 4.48Å; V724-V795 HydrophobicContact CG2-CG1 3.93Å; V724-S796 CarbonylContact C-O 3.34Å; V724-S796 WeakPolarHBondContact CA-O 3.33Å; V724-S796 WeakPolarHBondContact CB-O 3.31Å
725	F	80.9	Confident	69.9	Low	38 Å²	38	55.3 Å²	55.3	17%	0.167	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.2	172.9	174.6	-105	0	0	0	109.4	Y766 Y768 V795 S796 V809	F725-Y766 HydrophobicContact CD2-CD2 4.46Å; F725-Y766 AromaticContact CE2-CD2 3.51Å; F725-Y766 HydrophobicContact CE2-CD2 3.51Å; F725-Y766 HydrophobicContact CE2-CE2 4.1Å; F725-Y766 HydrophobicContact CE2-CG 4.02Å; F725-Y766 HydrophobicContact CZ-CD2 4.14Å; F725-Y766 HydrophobicContact CZ-CG 4.21Å; F725-Y768 HydrophobicContact CB-CD1 4.33Å; F725-Y768 HydrophobicContact CB-CE1 4.25Å; F725-Y768 HydrophobicContact CD2-CD1 4.12Å; F725-Y768 AromaticContact CD2-CE1 3.63Å; F725-Y768 HydrophobicContact CD2-CE1 3.63Å; F725-Y768 HydrophobicContact CD2-CE2 4.12Å; F725-Y768 AromaticContact CD2-CZ 3.62Å; F725-Y768 HydrophobicContact CE2-CE1 4.49Å; F725-Y768 HydrophobicContact CE2-CE2 4.38Å; F725-Y768 HydrophobicContact CG-CE1 4.38Å; F725-V795 WeakPolarHBondContact O-CA 3.31Å; F725-S796 PolarHBondContact N-O 3.4Å; F725-S796 PolarHBondContact O-N 3.21Å; F725-V809 HydrophobicContact CD1-CG1 4.26Å; F725-V809 HydrophobicContact CE1-CG1 4.34Å
726	V	80.1	Confident	70.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.5	-177.6	-173.5	0	0	0	0	108.9	V724 L729 F744 Y766 C767 V769 M793 F794 V795	V724-V726 HydrophobicContact CG2-CG2 4.22Å; V726-L729 HydrophobicContact CG1-CD1 4.24Å; V726-L729 HydrophobicContact CG1-CD2 4.28Å; V726-L729 HydrophobicContact CG1-CG 4.39Å; V726-F744 HydrophobicContact CB-CZ 4.4Å; V726-F744 HydrophobicContact CG1-CE2 4.33Å; V726-F744 HydrophobicContact CG1-CZ 4.03Å; V726-F744 HydrophobicContact CG2-CE1 4.34Å; V726-F744 HydrophobicContact CG2-CE2 3.88Å; V726-F744 HydrophobicContact CG2-CZ 3.46Å; V726-F744 VanDerWaalsContact CG2-CZ 3.46Å; V726-Y766 CarbonylContact O-C 3.59Å; V726-Y766 WeakPolarHBondContact O-CA 3.28Å; V726-Y766 VanDerWaalsContact O-CB 3.23Å; V726-Y766 WeakPolarHBondContact O-CB 3.34Å; V726-C767 PolarHBondContact N-O 3.43Å; V726-C767 PolarHBondContact O-N 3.26Å; V726-V769 HydrophobicContact CG2-CG2 3.87Å; V726-M793 HydrophobicContact CG1-CE 3.76Å; V726-F794 CarbonylContact C-O 3.59Å; V726-F794 VanDerWaalsContact CA-O 3.31Å; V726-F794 WeakPolarHBondContact CA-O 3.49Å; V726-V795 HydrophobicContact CG2-CG1 4.31Å
727	S	75.6	Confident	71.4	Confident	22 Å²	22	51.2 Å²	51.2	15%	0.154	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	174.8	-173.2	69.6	0	0	0	0	113.9	L729 F794	S727-L729 PolarHBondContact O-N 3.22Å; S727-F794 PolarHBondContact N-O 3.3Å; S727-F794 PolarHBondContact O-N 2.91Å
728	N	73.2	Confident	71.9	Confident	52 Å²	52	52.8 Å²	52.8	28%	0.278	28%	0.284	S	S	.	.			trans	62.7	25.6	-171.8	-167	52.8	0	0	0	114.6	G765 P792 F794	N728-G765 PolarHBondContact N-O 2.92Å; N728-P792 PolarHBondContact ND2-O 3.41Å; N728-F794 HydrophobicContact CB-CD2 3.44Å; N728-F794 VanDerWaalsContact CB-CD2 3.44Å; N728-F794 HydrophobicContact CB-CE2 3.57Å
729	L	76.6	Confident	72.4	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	27%	0.273	C	S	.	.			trans	-70.2	147.8	170.6	-59.4	166.3	0	0	0	109.9	V726 S727 Y731 L740 F763 G765 C767 M793	V726-L729 HydrophobicContact CG1-CD1 4.24Å; V726-L729 HydrophobicContact CG1-CD2 4.28Å; V726-L729 HydrophobicContact CG1-CG 4.39Å; S727-L729 PolarHBondContact O-N 3.22Å; L729-Y731 PolarHBondContact O-N 3.42Å; L729-L740 HydrophobicContact CD1-CD1 3.59Å; L729-L740 HydrophobicContact CD2-CD1 4.08Å; L729-L740 HydrophobicContact CD2-CD2 3.83Å; L729-L740 HydrophobicContact CG-CD1 4.49Å; L729-F763 HydrophobicContact CB-CE1 3.89Å; L729-F763 HydrophobicContact CB-CZ 4.18Å; L729-F763 HydrophobicContact CD1-CE1 4.4Å; L729-F763 HydrophobicContact CD1-CZ 3.9Å; L729-G765 WeakPolarHBondContact CB-O 3.1Å; L729-G765 PolarHBondContact N-O 3.37Å; L729-G765 VanDerWaalsContact O-CA 3.29Å; L729-G765 WeakPolarHBondContact O-CA 3.5Å; L729-C767 HydrophobicContact CD1-CB 4.49Å; L729-M793 HydrophobicContact CD2-CB 4.38Å
730	P	70.2	Confident	72.9	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.026	26%	0.258	C	S	.	.			trans	-65.4	129.4	179.3	18	-22.2	0	0	0	111.8	S732 M733 E789	P730-S732 PolarHBondContact O-N 3.3Å; P730-S732 VanDerWaalsContact O-N 3.08Å; P730-M733 HydrophobicContact CG-CB 4.24Å; P730-M733 HydrophobicContact CG-CE 4.04Å; P730-M733 WeakPolarHBondContact O-CB 3.42Å; P730-M733 PolarHBondContact O-N 2.87Å; P730-E789 HydrophobicContact CG-CB 4.02Å; P730-E789 WeakPolarHBondContact CG-OE2 3.33Å
731	Y	72.7	Confident	73.4	Confident	121 Å²	121	53.3 Å²	53.3	48%	0.475	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.6	177.5	-60	-95.7	0	0	0	113.8	L729 F763 R764	L729-Y731 PolarHBondContact O-N 3.42Å; Y731-F763 WeakPolarHBondContact CD1-O 3.29Å; Y731-R764 WeakPolarHBondContact CE1-O 3.44Å
732	S	64.8	Low	73.8	Confident	97 Å²	97	54.3 Å²	54.3	68%	0.678	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	3.1	174.8	52.6	0	0	0	0	113.8	P730 Q734	P730-S732 PolarHBondContact O-N 3.3Å; P730-S732 VanDerWaalsContact O-N 3.08Å; S732-Q734 PolarHBondContact O-N 2.99Å
733	M	66	Low	73.7	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.03	28%	0.279	C	S	.	.			trans	-71.3	98.3	179.6	-174	172.4	-86.6	0	0	110.8	P730 P736 K739 F763 V788 E789	P730-M733 HydrophobicContact CG-CB 4.24Å; P730-M733 HydrophobicContact CG-CE 4.04Å; P730-M733 WeakPolarHBondContact O-CB 3.42Å; P730-M733 PolarHBondContact O-N 2.87Å; M733-P736 HydrophobicContact CG-CB 3.92Å; M733-P736 HydrophobicContact SD-CB 3.72Å; M733-K739 HydrophobicContact CE-CB 4.49Å; M733-K739 HydrophobicContact CE-CD 4.16Å; M733-K739 HydrophobicContact CG-CD 3.89Å; M733-K739 HydrophobicContact SD-CB 4.34Å; M733-K739 HydrophobicContact SD-CD 4.31Å; M733-F763 HydrophobicContact CB-CD1 4.38Å; M733-F763 HydrophobicContact CB-CE1 4.38Å; M733-V788 HydrophobicContact CE-CG1 3.8Å; M733-E789 HydrophobicContact CE-CG 4.23Å; M733-E789 WeakPolarHBondContact CE-OE2 3.46Å
734	Q	59.2	Low	73.5	Confident	163 Å²	163	54.3 Å²	54.3	76%	0.762	28%	0.275	S	S	*	.	S	Bend	trans	-66.2	141.2	162.6	-65.8	173.6	-13.4	0	0	109.6	S732	S732-Q734 PolarHBondContact O-N 2.99Å
735	E	68.3	Low	73.1	Confident	131 Å²	131	59.1 Å²	59.1	61%	0.612	30%	0.297	S	S	*	.	S	Bend	trans	46.3	60.5	-177.2	-57.5	-164.7	153.9	0	0	115.1	D737 V738 K739	E735-D737 VanDerWaalsContact C-N 3.25Å; E735-D737 PolarHBondContact O-N 3.3Å; E735-V738 HydrophobicContact CB-CB 4.07Å; E735-V738 HydrophobicContact CB-CG2 3.98Å; E735-V738 PolarHBondContact O-N 3.21Å; E735-V738 VanDerWaalsContact O-N 3.16Å; E735-K739 PolarHBondContact O-N 3Å; E735-K739 VanDerWaalsContact O-N 3.11Å
736	P	71.1	Confident	72.7	Confident	4 Å²	4	61.4 Å²	61.4	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-24.7	-177.2	28	-35.3	0	0	0	113.5	M733 L740 P755 F757 F763	M733-P736 HydrophobicContact CG-CB 3.92Å; M733-P736 HydrophobicContact SD-CB 3.72Å; P736-L740 VanDerWaalsContact O-CB 3.25Å; P736-L740 WeakPolarHBondContact O-CB 3.1Å; P736-L740 WeakPolarHBondContact O-CD1 3.37Å; P736-L740 WeakPolarHBondContact O-CG 3.44Å; P736-L740 PolarHBondContact O-N 3.08Å; P736-L740 VanDerWaalsContact O-N 3.09Å; P736-P755 HydrophobicContact CB-CB 4.49Å; P736-P755 HydrophobicContact CG-CB 3.68Å; P736-P755 HydrophobicContact CG-CG 4.07Å; P736-F757 HydrophobicContact CG-CZ 4.49Å; P736-F763 HydrophobicContact CB-CE1 4.19Å; P736-F763 HydrophobicContact CB-CE2 4.41Å; P736-F763 HydrophobicContact CB-CZ 4.02Å; P736-F763 HydrophobicContact CG-CD2 4.27Å; P736-F763 HydrophobicContact CG-CE1 4.45Å; P736-F763 HydrophobicContact CG-CE2 4.09Å; P736-F763 HydrophobicContact CG-CZ 4.19Å
737	D	71.5	Confident	72.2	Confident	75 Å²	75	61.9 Å²	61.9	40%	0.401	33%	0.327	S	S	.	.	H	α-helix	trans	-71.6	-35.3	174.3	66.8	-51.5	0	0	0	112.4	E735 R741 I753	E735-D737 VanDerWaalsContact C-N 3.25Å; E735-D737 PolarHBondContact O-N 3.3Å; D737-R741 WeakPolarHBondContact O-CB 3.44Å; D737-R741 PolarHBondContact O-N 2.92Å; D737-I753 HydrophobicContact CB-CB 4.27Å; D737-I753 HydrophobicContact CB-CG2 4.33Å
738	V	73.8	Confident	72.1	Confident	79 Å²	79	61.9 Å²	61.9	48%	0.479	33%	0.33	S	S	.	.	H	α-helix	trans	-70.7	-46.1	174.7	-178.8	0	0	0	0	110.5	E735 P742	E735-V738 HydrophobicContact CB-CB 4.07Å; E735-V738 HydrophobicContact CB-CG2 3.98Å; E735-V738 PolarHBondContact O-N 3.21Å; E735-V738 VanDerWaalsContact O-N 3.16Å; V738-P742 VanDerWaalsContact O-CD 3.26Å; V738-P742 WeakPolarHBondContact O-CD 3.5Å
739	K	74	Confident	72.4	Confident	92 Å²	92	64.9 Å²	64.9	40%	0.4	34%	0.342	S	S	.	.	H	α-helix	trans	-71	-34.1	-176.8	-71.7	-178.8	174.5	-174.6	0	114.5	M733 E735 E789	M733-K739 HydrophobicContact CE-CB 4.49Å; M733-K739 HydrophobicContact CE-CD 4.16Å; M733-K739 HydrophobicContact CG-CD 3.89Å; M733-K739 HydrophobicContact SD-CB 4.34Å; M733-K739 HydrophobicContact SD-CD 4.31Å; E735-K739 PolarHBondContact O-N 3Å; E735-K739 VanDerWaalsContact O-N 3.11Å; K739-E789 IonicContact NZ-OE1 2.7Å; K739-E789 PolarHBondContact NZ-OE1 3.36Å
740	L	74.8	Confident	72.6	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-85.1	-22	-178.2	-64.9	172.3	0	0	0	113.4	L729 P736 L743 F744 I753 C767 M793	L729-L740 HydrophobicContact CD1-CD1 3.59Å; L729-L740 HydrophobicContact CD2-CD1 4.08Å; L729-L740 HydrophobicContact CD2-CD2 3.83Å; L729-L740 HydrophobicContact CG-CD1 4.49Å; P736-L740 VanDerWaalsContact O-CB 3.25Å; P736-L740 WeakPolarHBondContact O-CB 3.1Å; P736-L740 WeakPolarHBondContact O-CD1 3.37Å; P736-L740 WeakPolarHBondContact O-CG 3.44Å; P736-L740 PolarHBondContact O-N 3.08Å; P736-L740 VanDerWaalsContact O-N 3.09Å; L740-L743 HydrophobicContact CD2-CD1 4.18Å; L740-L743 PolarHBondContact O-N 2.95Å; L740-F744 HydrophobicContact CB-CD2 4.24Å; L740-F744 HydrophobicContact CB-CE2 4.3Å; L740-F744 WeakPolarHBondContact O-CD2 3.4Å; L740-F744 PolarHBondContact O-N 3.35Å; L740-I753 HydrophobicContact CB-CD1 4.08Å; L740-C767 VanDerWaalsContact CD1-SG 3.57Å; L740-M793 HydrophobicContact CD2-CE 4.22Å
741	R	78.8	Confident	73	Confident	114 Å²	114	68.6 Å²	68.6	43%	0.43	36%	0.364	S	S	.	.	H	α-helix	trans	-55.4	-50.5	-178.7	-176.4	-175	-163	107.5	20.4	113.1	D737 L743 F744 E745 I753	D737-R741 WeakPolarHBondContact O-CB 3.44Å; D737-R741 PolarHBondContact O-N 2.92Å; R741-L743 VanDerWaalsContact C-N 3.25Å; R741-L743 PolarHBondContact O-N 3.37Å; R741-F744 PolarHBondContact O-N 3.45Å; R741-E745 IonicContact NE-OE2 3.93Å; R741-E745 VanDerWaalsContact O-CB 3.23Å; R741-E745 WeakPolarHBondContact O-CB 3.46Å; R741-E745 PolarHBondContact O-N 3.32Å; R741-I753 HydrophobicContact CB-CD1 4.07Å
742	P	77.3	Confident	73.2	Confident	85 Å²	85	67 Å²	67	55%	0.552	36%	0.362	S	S	*	.	H	α-helix	trans	-63.7	-28.6	-179.9	-22.4	34.6	0	0	0	113.9	V738	V738-P742 VanDerWaalsContact O-CD 3.26Å; V738-P742 WeakPolarHBondContact O-CD 3.5Å
743	L	75.9	Confident	74	Confident	52 Å²	52	63.5 Å²	63.5	27%	0.272	34%	0.335	S	S	.	.	H	α-helix	trans	-72.4	-35.2	179.8	-65	174.5	0	0	0	112.2	L740 R741 V788	L740-L743 HydrophobicContact CD2-CD1 4.18Å; L740-L743 PolarHBondContact O-N 2.95Å; R741-L743 VanDerWaalsContact C-N 3.25Å; R741-L743 PolarHBondContact O-N 3.37Å; L743-V788 HydrophobicContact CD1-CG1 4.39Å; L743-V788 HydrophobicContact CD1-CG2 3.77Å
744	F	75.3	Confident	74.6	Confident	1 Å²	1	67 Å²	67	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-93.6	-22.6	178.4	-70.9	-64.8	0	0	0	113.8	V726 L740 R741 A746 C747 G748 V750 V769 F771 A780 M793 V795	V726-F744 HydrophobicContact CB-CZ 4.4Å; V726-F744 HydrophobicContact CG1-CE2 4.33Å; V726-F744 HydrophobicContact CG1-CZ 4.03Å; V726-F744 HydrophobicContact CG2-CE1 4.34Å; V726-F744 HydrophobicContact CG2-CE2 3.88Å; V726-F744 HydrophobicContact CG2-CZ 3.46Å; V726-F744 VanDerWaalsContact CG2-CZ 3.46Å; L740-F744 HydrophobicContact CB-CD2 4.24Å; L740-F744 HydrophobicContact CB-CE2 4.3Å; L740-F744 WeakPolarHBondContact O-CD2 3.4Å; L740-F744 PolarHBondContact O-N 3.35Å; R741-F744 PolarHBondContact O-N 3.45Å; F744-A746 PolarHBondContact O-N 2.93Å; F744-C747 WeakPolarHBondContact O-CA 3.3Å; F744-C747 WeakPolarHBondContact O-CB 3.15Å; F744-C747 PolarHBondContact O-N 2.88Å; F744-G748 PolarHBondContact O-N 3.03Å; F744-V750 HydrophobicContact CB-CG2 3.76Å; F744-V769 HydrophobicContact CB-CG1 4.38Å; F744-V769 HydrophobicContact CD2-CG1 4.48Å; F744-V769 HydrophobicContact CD2-CG2 3.96Å; F744-V769 HydrophobicContact CE2-CG2 3.94Å; F744-V769 HydrophobicContact CG-CG1 4.34Å; F744-V769 HydrophobicContact CZ-CG2 4.5Å; F744-F771 HydrophobicContact CB-CE1 4.25Å; F744-F771 HydrophobicContact CB-CZ 3.97Å; F744-F771 AromaticContact CD1-CZ 3.96Å; F744-F771 HydrophobicContact CD1-CZ 3.96Å; F744-F771 HydrophobicContact CG-CZ 4.28Å; F744-A780 HydrophobicContact CD1-CB 4.1Å; F744-A780 HydrophobicContact CE1-CB 4.15Å; F744-M793 HydrophobicContact CE1-CE 4.33Å; F744-M793 HydrophobicContact CE2-CE 3.73Å; F744-M793 HydrophobicContact CZ-CE 3.4Å; F744-V795 HydrophobicContact CE1-CG2 4.29Å; F744-V795 HydrophobicContact CZ-CG2 4.24Å
745	E	76.1	Confident	75.6	Confident	103 Å²	103	60.4 Å²	60.4	48%	0.481	32%	0.319	S	S	.	.	H	α-helix	trans	-64.8	-23	174	-165.6	153	-141.6	0	0	111.8	R741 C747 G748	R741-E745 IonicContact NE-OE2 3.93Å; R741-E745 VanDerWaalsContact O-CB 3.23Å; R741-E745 WeakPolarHBondContact O-CB 3.46Å; R741-E745 PolarHBondContact O-N 3.32Å; E745-C747 VanDerWaalsContact C-N 3.26Å; E745-C747 PolarHBondContact O-N 3.41Å; E745-G748 WeakPolarHBondContact CA-O 3.49Å; E745-G748 PolarHBondContact O-N 3.47Å
746	A	71.8	Confident	76	Confident	87 Å²	87	56.5 Å²	56.5	72%	0.719	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-16.4	167.4	0	0	0	0	0	114.5	F744	F744-A746 PolarHBondContact O-N 2.93Å
747	C	69	Low	76.2	Confident	10 Å²	10	60.7 Å²	60.7	7%	0.068	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-7.6	175.4	-54.4	0	0	0	0	112.6	F744 E745 F771 S776 Q779	F744-C747 WeakPolarHBondContact O-CA 3.3Å; F744-C747 WeakPolarHBondContact O-CB 3.15Å; F744-C747 PolarHBondContact O-N 2.88Å; E745-C747 VanDerWaalsContact C-N 3.26Å; E745-C747 PolarHBondContact O-N 3.41Å; C747-F771 HydrophobicContact CB-CE1 4.34Å; C747-F771 HydrophobicContact CB-CZ 4.42Å; C747-S776 WeakPolarHBondContact O-CA 3.31Å; C747-S776 WeakPolarHBondContact O-CB 3.38Å; C747-S776 PolarHBondContact O-OG 2.62Å; C747-Q779 HydrophobicContact CB-CB 4.25Å; C747-Q779 PolarHBondContact O-OE1 3.45Å
748	G	74.3	Confident	76.1	Confident	21 Å²	21	58.6 Å²	58.6	22%	0.216	31%	0.311	C	S	.	.	S	Bend	trans	142.2	-176.7	176.2	0	0	0	0	0	114.9	F744 E745 V750 S776	F744-G748 PolarHBondContact O-N 3.03Å; E745-G748 WeakPolarHBondContact CA-O 3.49Å; E745-G748 PolarHBondContact O-N 3.47Å; G748-V750 PolarHBondContact O-N 3.4Å; G748-S776 WeakPolarHBondContact CA-OG 3.45Å
749	E	78.1	Confident	75.6	Confident	116 Å²	116	61.2 Å²	61.2	54%	0.542	32%	0.322	S	S	.	.			trans	-72.8	100.9	-174.8	-165.8	177.7	150.6	0	0	111.4	V751 K772	E749-V751 PolarHBondContact O-N 2.96Å; E749-K772 HydrophobicContact CB-CB 4.18Å; E749-K772 HydrophobicContact CB-CD 4.05Å; E749-K772 HydrophobicContact CG-CD 4.01Å; E749-K772 WeakPolarHBondContact O-CB 3.39Å; E749-K772 PolarHBondContact O-N 3.13Å; E749-K772 WeakPolarHBondContact OE1-CD 3.41Å; E749-K772 IonicContact OE1-NZ 2.67Å; E749-K772 PolarHBondContact OE1-NZ 2.97Å; E749-K772 VanDerWaalsContact OE2-CD 3.31Å; E749-K772 WeakPolarHBondContact OE2-CD 3.32Å; E749-K772 IonicContact OE2-NZ 3.33Å; E749-K772 PolarHBondContact OE2-NZ 2.81Å
750	V	81	Confident	74.9	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.03	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	118.8	177.2	-179.7	0	0	0	0	110.7	F744 G748 I753 V769 F771	F744-V750 HydrophobicContact CB-CG2 3.76Å; G748-V750 PolarHBondContact O-N 3.4Å; V750-I753 HydrophobicContact CG1-CD1 4.31Å; V750-I753 HydrophobicContact CG1-CG1 3.78Å; V750-V769 HydrophobicContact CG1-CG1 3.87Å; V750-V769 HydrophobicContact CG2-CG1 4.3Å; V750-F771 HydrophobicContact CG2-CD1 4.01Å; V750-F771 HydrophobicContact CG2-CE1 3.61Å; V750-F771 HydrophobicContact CG2-CZ 4.36Å
751	V	79.7	Confident	74.3	Confident	78 Å²	78	70.1 Å²	70.1	47%	0.473	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-51.2	178	177.1	0	0	0	0	110.6	E749 E770 K772	E749-V751 PolarHBondContact O-N 2.96Å; V751-E770 WeakPolarHBondContact CA-O 3.21Å; V751-E770 HydrophobicContact CB-CB 4.45Å; V751-E770 HydrophobicContact CB-CG 4.25Å; V751-E770 WeakPolarHBondContact CB-O 3.38Å; V751-E770 PolarHBondContact N-O 3.28Å; V751-K772 HydrophobicContact CG2-CB 3.89Å
752	Q	76.1	Confident	73.8	Confident	89 Å²	89	69.1 Å²	69.1	42%	0.416	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	140.2	-177.7	-175.1	173.4	4.2	0	0	111.8	E770	Q752-E770 HydrophobicContact CB-CB 4.27Å; Q752-E770 PolarHBondContact N-O 3.3Å; Q752-E770 PolarHBondContact O-N 3.4Å
753	I	80.9	Confident	73.7	Confident	22 Å²	22	65.7 Å²	65.7	11%	0.113	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	134.4	162.4	-55.6	-173.2	0	0	0	107.8	D737 L740 R741 V750 C767 Y768 V769	D737-I753 HydrophobicContact CB-CB 4.27Å; D737-I753 HydrophobicContact CB-CG2 4.33Å; L740-I753 HydrophobicContact CB-CD1 4.08Å; R741-I753 HydrophobicContact CB-CD1 4.07Å; V750-I753 HydrophobicContact CG1-CD1 4.31Å; V750-I753 HydrophobicContact CG1-CG1 3.78Å; I753-C767 HydrophobicContact CG2-CB 4.25Å; I753-Y768 CarbonylContact C-O 3.59Å; I753-Y768 WeakPolarHBondContact CA-O 3.34Å; I753-V769 HydrophobicContact CD1-CG2 4.47Å; I753-V769 HydrophobicContact CG1-CG1 4.31Å; I753-V769 HydrophobicContact CG1-CG2 4.19Å; I753-V769 HydrophobicContact CG2-CG2 4.29Å
754	R	79.4	Confident	73.5	Confident	79 Å²	79	67.7 Å²	67.7	30%	0.298	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	82.2	-175.9	-167.2	-173.5	-57.1	-169.2	5.6	109.6	C767 Y768	R754-C767 WeakPolarHBondContact O-CA 3.42Å; R754-Y768 PolarHBondContact N-O 3.2Å; R754-Y768 PolarHBondContact O-N 2.78Å
755	P	79.6	Confident	73.3	Confident	25 Å²	25	67.7 Å²	67.7	16%	0.162	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	146.3	171.7	28.3	-33.7	0	0	0	110.9	P736 F757 F763 C767	P736-P755 HydrophobicContact CB-CB 4.49Å; P736-P755 HydrophobicContact CG-CB 3.68Å; P736-P755 HydrophobicContact CG-CG 4.07Å; P755-F757 HydrophobicContact CB-CE2 4.05Å; P755-F757 HydrophobicContact CB-CZ 4.16Å; P755-F757 HydrophobicContact CG-CE2 3.79Å; P755-F757 HydrophobicContact CG-CZ 4.05Å; P755-F763 HydrophobicContact CB-CD2 4.18Å; P755-F763 HydrophobicContact CB-CE2 3.66Å; P755-C767 HydrophobicContact CB-CB 4.21Å
756	I	76.7	Confident	73.6	Confident	49 Å²	49	65.8 Å²	65.8	25%	0.251	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.6	176	-60.4	-140.4	0	0	0	110.6	F763 R764 Y766 Y768	I756-F763 WeakPolarHBondContact O-CD2 3.49Å; I756-R764 WeakPolarHBondContact O-CB 3.29Å; I756-R764 PolarHBondContact O-N 2.96Å; I756-Y766 HydrophobicContact CB-CD2 4.12Å; I756-Y766 HydrophobicContact CB-CE2 3.62Å; I756-Y766 HydrophobicContact CD1-CE2 3.83Å; I756-Y766 HydrophobicContact CG1-CD2 4.21Å; I756-Y766 HydrophobicContact CG1-CE2 3.72Å; I756-Y766 HydrophobicContact CG2-CE2 4.02Å; I756-Y766 PolarHBondContact N-O 3.32Å; I756-Y766 VanDerWaalsContact N-O 3.13Å; I756-Y768 HydrophobicContact CD1-CD2 4.32Å; I756-Y768 HydrophobicContact CD1-CE2 3.83Å; I756-Y768 HydrophobicContact CG1-CD2 4.4Å; I756-Y768 HydrophobicContact CG1-CE2 4.26Å
757	F	75.6	Confident	74	Confident	93 Å²	93	61.6 Å²	61.6	41%	0.408	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	163.3	174.6	-56.8	-86.4	0	0	0	110.8	P736 P755 G761 D762 F763	P736-F757 HydrophobicContact CG-CZ 4.49Å; P755-F757 HydrophobicContact CB-CE2 4.05Å; P755-F757 HydrophobicContact CB-CZ 4.16Å; P755-F757 HydrophobicContact CG-CE2 3.79Å; P755-F757 HydrophobicContact CG-CZ 4.05Å; F757-G761 VanDerWaalsContact CD1-O 3.28Å; F757-G761 WeakPolarHBondContact CD1-O 3.42Å; F757-D762 CarbonylContact C-O 3.53Å; F757-D762 WeakPolarHBondContact CA-O 3.21Å; F757-F763 HydrophobicContact CD1-CB 3.87Å; F757-F763 HydrophobicContact CD1-CD2 4.23Å; F757-F763 HydrophobicContact CE1-CB 3.85Å; F757-F763 HydrophobicContact CE1-CD2 4.05Å; F757-F763 HydrophobicContact CE1-CG 4.32Å; F757-F763 HydrophobicContact CZ-CD2 4.49Å
758	S	69	Low	74.7	Confident	30 Å²	30	64.5 Å²	64.5	21%	0.21	32%	0.318	C	S	.	.			trans	-88.5	164.6	176.6	-154.8	0	0	0	0	110.6	R760 G761 D762 R764	S758-R760 PolarHBondContact O-N 3.33Å; S758-G761 PolarHBondContact O-N 2.62Å; S758-D762 WeakPolarHBondContact CB-O 3.33Å; S758-D762 PolarHBondContact N-O 2.76Å; S758-R764 PolarHBondContact OG-NE 3.04Å; S758-R764 VanDerWaalsContact OG-NE 3.11Å; S758-R764 PolarHBondContact OG-NH2 3.46Å
759	N	63.3	Low	75.1	Confident	134 Å²	134	63.5 Å²	63.5	72%	0.717	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	9.2	176.6	-52	51.2	0	0	0	114.9	R764	N759-R764 PolarHBondContact OD1-NH2 2.69Å
760	R	59.2	Low	75.4	Confident	226 Å²	226	58.8 Å²	58.8	85%	0.853	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	10.3	176.6	-63	-172.2	178.2	-167	-0.9	112.6	S758 D762	S758-R760 PolarHBondContact O-N 3.33Å; R760-D762 PolarHBondContact O-N 2.9Å
761	G	62.9	Low	75.5	Confident	53 Å²	53	58.6 Å²	58.6	55%	0.546	29%	0.285	S	S	.	.	S	Bend	trans	90.4	-25	-176.6	0	0	0	0	0	115.4	F757 S758 F763	F757-G761 VanDerWaalsContact CD1-O 3.28Å; F757-G761 WeakPolarHBondContact CD1-O 3.42Å; S758-G761 PolarHBondContact O-N 2.62Å; G761-F763 PolarHBondContact O-N 2.63Å
762	D	69.4	Low	75.6	Confident	93 Å²	93	60.2 Å²	60.2	50%	0.497	29%	0.285	S	S	.	.			trans	-57.2	131.6	-177.7	-59.3	-63.2	0	0	0	113.8	F757 S758 R760 R764	F757-D762 CarbonylContact C-O 3.53Å; F757-D762 WeakPolarHBondContact CA-O 3.21Å; S758-D762 WeakPolarHBondContact CB-O 3.33Å; S758-D762 PolarHBondContact N-O 2.76Å; R760-D762 PolarHBondContact O-N 2.9Å; D762-R764 PolarHBondContact O-N 3.24Å
763	F	75	Confident	75.8	Confident	13 Å²	13	61.1 Å²	61.1	6%	0.057	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	130.4	172.9	178.4	-128.6	0	0	0	111.4	L729 Y731 M733 P736 P755 I756 F757 G761 G765 Y766	L729-F763 HydrophobicContact CB-CE1 3.89Å; L729-F763 HydrophobicContact CB-CZ 4.18Å; L729-F763 HydrophobicContact CD1-CE1 4.4Å; L729-F763 HydrophobicContact CD1-CZ 3.9Å; Y731-F763 WeakPolarHBondContact CD1-O 3.29Å; M733-F763 HydrophobicContact CB-CD1 4.38Å; M733-F763 HydrophobicContact CB-CE1 4.38Å; P736-F763 HydrophobicContact CB-CE1 4.19Å; P736-F763 HydrophobicContact CB-CE2 4.41Å; P736-F763 HydrophobicContact CB-CZ 4.02Å; P736-F763 HydrophobicContact CG-CD2 4.27Å; P736-F763 HydrophobicContact CG-CE1 4.45Å; P736-F763 HydrophobicContact CG-CE2 4.09Å; P736-F763 HydrophobicContact CG-CZ 4.19Å; P755-F763 HydrophobicContact CB-CD2 4.18Å; P755-F763 HydrophobicContact CB-CE2 3.66Å; I756-F763 WeakPolarHBondContact O-CD2 3.49Å; F757-F763 HydrophobicContact CD1-CB 3.87Å; F757-F763 HydrophobicContact CD1-CD2 4.23Å; F757-F763 HydrophobicContact CE1-CB 3.85Å; F757-F763 HydrophobicContact CE1-CD2 4.05Å; F757-F763 HydrophobicContact CE1-CG 4.32Å; F757-F763 HydrophobicContact CZ-CD2 4.49Å; G761-F763 PolarHBondContact O-N 2.63Å; F763-G765 VanDerWaalsContact C-N 3.33Å; F763-G765 PolarHBondContact O-N 2.8Å; F763-Y766 VanDerWaalsContact CE2-O 3.29Å; F763-Y766 WeakPolarHBondContact CE2-O 3.36Å
764	R	72.2	Confident	75.7	Confident	94 Å²	94	65.5 Å²	65.5	36%	0.355	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	7.8	-176.3	-71.1	-170.4	167.9	172.9	5.8	115.1	Y731 I756 S758 N759 D762 Y766	Y731-R764 WeakPolarHBondContact CE1-O 3.44Å; I756-R764 WeakPolarHBondContact O-CB 3.29Å; I756-R764 PolarHBondContact O-N 2.96Å; S758-R764 PolarHBondContact OG-NE 3.04Å; S758-R764 VanDerWaalsContact OG-NE 3.11Å; S758-R764 PolarHBondContact OG-NH2 3.46Å; N759-R764 PolarHBondContact OD1-NH2 2.69Å; D762-R764 PolarHBondContact O-N 3.24Å; R764-Y766 HydrophobicContact CB-CD1 3.98Å; R764-Y766 HydrophobicContact CB-CE1 3.65Å; R764-Y766 WeakPolarHBondContact O-CD1 3.29Å
765	G	70.3	Confident	75.6	Confident	2 Å²	2	69 Å²	69	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.5	20.2	175.5	0	0	0	0	0	114.9	N728 L729 F763	N728-G765 PolarHBondContact N-O 2.92Å; L729-G765 WeakPolarHBondContact CB-O 3.1Å; L729-G765 PolarHBondContact N-O 3.37Å; L729-G765 VanDerWaalsContact O-CA 3.29Å; L729-G765 WeakPolarHBondContact O-CA 3.5Å; F763-G765 VanDerWaalsContact C-N 3.33Å; F763-G765 PolarHBondContact O-N 2.8Å
766	Y	81.4	Confident	75.7	Confident	62 Å²	62	68.4 Å²	68.4	24%	0.243	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.6	174.5	67.1	-94.9	0	0	0	112.8	F725 V726 I756 F763 R764 Y768	F725-Y766 HydrophobicContact CD2-CD2 4.46Å; F725-Y766 AromaticContact CE2-CD2 3.51Å; F725-Y766 HydrophobicContact CE2-CD2 3.51Å; F725-Y766 HydrophobicContact CE2-CE2 4.1Å; F725-Y766 HydrophobicContact CE2-CG 4.02Å; F725-Y766 HydrophobicContact CZ-CD2 4.14Å; F725-Y766 HydrophobicContact CZ-CG 4.21Å; V726-Y766 CarbonylContact O-C 3.59Å; V726-Y766 WeakPolarHBondContact O-CA 3.28Å; V726-Y766 VanDerWaalsContact O-CB 3.23Å; V726-Y766 WeakPolarHBondContact O-CB 3.34Å; I756-Y766 HydrophobicContact CB-CD2 4.12Å; I756-Y766 HydrophobicContact CB-CE2 3.62Å; I756-Y766 HydrophobicContact CD1-CE2 3.83Å; I756-Y766 HydrophobicContact CG1-CD2 4.21Å; I756-Y766 HydrophobicContact CG1-CE2 3.72Å; I756-Y766 HydrophobicContact CG2-CE2 4.02Å; I756-Y766 PolarHBondContact N-O 3.32Å; I756-Y766 VanDerWaalsContact N-O 3.13Å; F763-Y766 VanDerWaalsContact CE2-O 3.29Å; F763-Y766 WeakPolarHBondContact CE2-O 3.36Å; R764-Y766 HydrophobicContact CB-CD1 3.98Å; R764-Y766 HydrophobicContact CB-CE1 3.65Å; R764-Y766 WeakPolarHBondContact O-CD1 3.29Å; Y766-Y768 HydrophobicContact CD2-CE2 4.45Å; Y766-Y768 HydrophobicContact CE2-CE2 4.3Å
767	C	81.5	Confident	75.6	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	167.2	177	70.4	0	0	0	0	111.6	V726 L729 L740 I753 R754 P755	V726-C767 PolarHBondContact N-O 3.43Å; V726-C767 PolarHBondContact O-N 3.26Å; L729-C767 HydrophobicContact CD1-CB 4.49Å; L740-C767 VanDerWaalsContact CD1-SG 3.57Å; I753-C767 HydrophobicContact CG2-CB 4.25Å; R754-C767 WeakPolarHBondContact O-CA 3.42Å; P755-C767 HydrophobicContact CB-CB 4.21Å
768	Y	82.6	Confident	75.7	Confident	71 Å²	71	67.2 Å²	67.2	28%	0.278	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.6	167.5	-62.5	-99.8	0	0	0	109.3	V724 F725 I753 R754 I756 Y766	V724-Y768 CarbonylContact O-C 3.53Å; V724-Y768 WeakPolarHBondContact O-CA 3.34Å; F725-Y768 HydrophobicContact CB-CD1 4.33Å; F725-Y768 HydrophobicContact CB-CE1 4.25Å; F725-Y768 HydrophobicContact CD2-CD1 4.12Å; F725-Y768 AromaticContact CD2-CE1 3.63Å; F725-Y768 HydrophobicContact CD2-CE1 3.63Å; F725-Y768 HydrophobicContact CD2-CE2 4.12Å; F725-Y768 AromaticContact CD2-CZ 3.62Å; F725-Y768 HydrophobicContact CE2-CE1 4.49Å; F725-Y768 HydrophobicContact CE2-CE2 4.38Å; F725-Y768 HydrophobicContact CG-CE1 4.38Å; I753-Y768 CarbonylContact C-O 3.59Å; I753-Y768 WeakPolarHBondContact CA-O 3.34Å; R754-Y768 PolarHBondContact N-O 3.2Å; R754-Y768 PolarHBondContact O-N 2.78Å; I756-Y768 HydrophobicContact CD1-CD2 4.32Å; I756-Y768 HydrophobicContact CD1-CE2 3.83Å; I756-Y768 HydrophobicContact CG1-CD2 4.4Å; I756-Y768 HydrophobicContact CG1-CE2 4.26Å; Y766-Y768 HydrophobicContact CD2-CE2 4.45Å; Y766-Y768 HydrophobicContact CE2-CE2 4.3Å
769	V	83	Confident	76	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	118.2	178.6	-178.9	0	0	0	0	108.6	T723 V724 V726 F744 V750 I753 F771	T723-V769 CarbonylContact C-O 3.59Å; T723-V769 VanDerWaalsContact CA-O 3.3Å; T723-V769 WeakPolarHBondContact CA-O 3.33Å; V724-V769 HydrophobicContact CG2-CB 3.85Å; V724-V769 PolarHBondContact N-O 2.96Å; V724-V769 PolarHBondContact O-N 3.33Å; V726-V769 HydrophobicContact CG2-CG2 3.87Å; F744-V769 HydrophobicContact CB-CG1 4.38Å; F744-V769 HydrophobicContact CD2-CG1 4.48Å; F744-V769 HydrophobicContact CD2-CG2 3.96Å; F744-V769 HydrophobicContact CE2-CG2 3.94Å; F744-V769 HydrophobicContact CG-CG1 4.34Å; F744-V769 HydrophobicContact CZ-CG2 4.5Å; V750-V769 HydrophobicContact CG1-CG1 3.87Å; V750-V769 HydrophobicContact CG2-CG1 4.3Å; I753-V769 HydrophobicContact CD1-CG2 4.47Å; I753-V769 HydrophobicContact CG1-CG1 4.31Å; I753-V769 HydrophobicContact CG1-CG2 4.19Å; I753-V769 HydrophobicContact CG2-CG2 4.29Å; V769-F771 HydrophobicContact CB-CE2 4.42Å; V769-F771 HydrophobicContact CG1-CD2 4.26Å; V769-F771 HydrophobicContact CG1-CE1 4.46Å; V769-F771 HydrophobicContact CG1-CE2 3.78Å; V769-F771 HydrophobicContact CG1-CZ 3.89Å
770	E	84.1	Confident	76.7	Confident	17 Å²	17	64.6 Å²	64.6	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.7	175.6	-171.9	175.5	149.8	0	0	109.1	K719 I722 T723 V751 Q752	K719-E770 IonicContact NZ-OE1 3.38Å; K719-E770 PolarHBondContact NZ-OE1 3.38Å; K719-E770 IonicContact NZ-OE2 2.63Å; I722-E770 HydrophobicContact CD1-CG 4.44Å; T723-E770 HydrophobicContact CG2-CB 3.76Å; T723-E770 HydrophobicContact CG2-CG 3.81Å; V751-E770 WeakPolarHBondContact CA-O 3.21Å; V751-E770 HydrophobicContact CB-CB 4.45Å; V751-E770 HydrophobicContact CB-CG 4.25Å; V751-E770 WeakPolarHBondContact CB-O 3.38Å; V751-E770 PolarHBondContact N-O 3.28Å; Q752-E770 HydrophobicContact CB-CB 4.27Å; Q752-E770 PolarHBondContact N-O 3.3Å; Q752-E770 PolarHBondContact O-N 3.4Å
771	F	84.5	Confident	77.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	162.9	173.5	-70.9	-80.9	0	0	0	111.3	I722 V724 F744 C747 V750 V769 A777 A780	I722-F771 PolarHBondContact O-N 2.67Å; V724-F771 HydrophobicContact CG1-CE2 4.49Å; V724-F771 HydrophobicContact CG2-CE2 3.83Å; F744-F771 HydrophobicContact CB-CE1 4.25Å; F744-F771 HydrophobicContact CB-CZ 3.97Å; F744-F771 AromaticContact CD1-CZ 3.96Å; F744-F771 HydrophobicContact CD1-CZ 3.96Å; F744-F771 HydrophobicContact CG-CZ 4.28Å; C747-F771 HydrophobicContact CB-CE1 4.34Å; C747-F771 HydrophobicContact CB-CZ 4.42Å; V750-F771 HydrophobicContact CG2-CD1 4.01Å; V750-F771 HydrophobicContact CG2-CE1 3.61Å; V750-F771 HydrophobicContact CG2-CZ 4.36Å; V769-F771 HydrophobicContact CB-CE2 4.42Å; V769-F771 HydrophobicContact CG1-CD2 4.26Å; V769-F771 HydrophobicContact CG1-CE1 4.46Å; V769-F771 HydrophobicContact CG1-CE2 3.78Å; V769-F771 HydrophobicContact CG1-CZ 3.89Å; F771-A777 HydrophobicContact CD2-CB 4.17Å; F771-A780 HydrophobicContact CE2-CB 3.54Å; F771-A780 HydrophobicContact CZ-CB 3.63Å
772	K	81.2	Confident	78	Confident	112 Å²	112	62 Å²	62	49%	0.487	29%	0.287	S	S	.	.	S	Bend	trans	-81.1	-23.2	174.7	-172.3	175.5	174.5	-179.2	0	113.7	E749 V751	E749-K772 HydrophobicContact CB-CB 4.18Å; E749-K772 HydrophobicContact CB-CD 4.05Å; E749-K772 HydrophobicContact CG-CD 4.01Å; E749-K772 WeakPolarHBondContact O-CB 3.39Å; E749-K772 PolarHBondContact O-N 3.13Å; E749-K772 WeakPolarHBondContact OE1-CD 3.41Å; E749-K772 IonicContact OE1-NZ 2.67Å; E749-K772 PolarHBondContact OE1-NZ 2.97Å; E749-K772 VanDerWaalsContact OE2-CD 3.31Å; E749-K772 WeakPolarHBondContact OE2-CD 3.32Å; E749-K772 IonicContact OE2-NZ 3.33Å; E749-K772 PolarHBondContact OE2-NZ 2.81Å; V751-K772 HydrophobicContact CG2-CB 3.89Å
773	E	80.5	Confident	78	Confident	108 Å²	108	59.3 Å²	59.3	51%	0.505	27%	0.272	S	S	.	.	S	Bend	trans	-134.1	140.5	-179	-67.5	-172.6	-151	0	0	111.3	K775 S776 A777	E773-K775 PolarHBondContact O-N 3.02Å; E773-S776 WeakPolarHBondContact O-CB 3.36Å; E773-S776 PolarHBondContact O-N 2.98Å; E773-A777 PolarHBondContact O-N 3.09Å
774	E	78.1	Confident	77.5	Confident	115 Å²	115	60.7 Å²	60.7	54%	0.537	28%	0.28	S	S	.	.	H	α-helix	trans	-58.9	-32.9	175.4	178.8	170.6	-151.2	0	0	112.5	I722 S776 A777 L778	I722-E774 HydrophobicContact CG2-CB 4.29Å; E774-S776 VanDerWaalsContact C-N 3.26Å; E774-S776 PolarHBondContact O-N 3.49Å; E774-A777 WeakPolarHBondContact O-CB 3.47Å; E774-A777 PolarHBondContact O-N 3.05Å; E774-A777 VanDerWaalsContact O-N 3.15Å; E774-L778 PolarHBondContact O-N 3.49Å
775	K	78.3	Confident	77.1	Confident	151 Å²	151	60.8 Å²	60.8	66%	0.657	28%	0.28	S	S	*	.	H	α-helix	trans	-59.5	-36	174.4	-65.2	178	-177.7	172.4	0	112.7	E773 L778 Q779	E773-K775 PolarHBondContact O-N 3.02Å; K775-L778 PolarHBondContact O-N 3.41Å; K775-Q779 WeakPolarHBondContact O-CG 3.11Å; K775-Q779 PolarHBondContact O-N 3.22Å
776	S	80	Confident	77.2	Confident	13 Å²	13	65.7 Å²	65.7	9%	0.091	30%	0.301	C	S	.	.	H	α-helix	trans	-74.6	-33.2	177.3	-62.7	0	0	0	0	112.3	C747 G748 E773 E774 Q779 A780	C747-S776 WeakPolarHBondContact O-CA 3.31Å; C747-S776 WeakPolarHBondContact O-CB 3.38Å; C747-S776 PolarHBondContact O-OG 2.62Å; G748-S776 WeakPolarHBondContact CA-OG 3.45Å; E773-S776 WeakPolarHBondContact O-CB 3.36Å; E773-S776 PolarHBondContact O-N 2.98Å; E774-S776 VanDerWaalsContact C-N 3.26Å; E774-S776 PolarHBondContact O-N 3.49Å; S776-Q779 PolarHBondContact O-N 2.91Å; S776-A780 WeakPolarHBondContact O-CB 3.3Å; S776-A780 PolarHBondContact O-N 3.4Å
777	A	76.3	Confident	76.4	Confident	6 Å²	6	67.3 Å²	67.3	5%	0.05	32%	0.321	C	S	.	.	H	α-helix	trans	-63	-42.4	170.1	0	0	0	0	0	111.1	V724 F771 E773 E774 A780 L781	V724-A777 HydrophobicContact CG1-CB 3.99Å; F771-A777 HydrophobicContact CD2-CB 4.17Å; E773-A777 PolarHBondContact O-N 3.09Å; E774-A777 WeakPolarHBondContact O-CB 3.47Å; E774-A777 PolarHBondContact O-N 3.05Å; E774-A777 VanDerWaalsContact O-N 3.15Å; A777-A780 PolarHBondContact O-N 3.35Å; A777-L781 WeakPolarHBondContact O-CG 3.44Å; A777-L781 PolarHBondContact O-N 3.25Å
778	L	75.9	Confident	75.6	Confident	112 Å²	112	68 Å²	68	59%	0.586	33%	0.326	S	S	*	.	H	α-helix	trans	-61.9	-44.4	174	-66.8	175.2	0	0	0	112.6	E774 K775 A780 L781	E774-L778 PolarHBondContact O-N 3.49Å; K775-L778 PolarHBondContact O-N 3.41Å; L778-A780 VanDerWaalsContact C-N 3.3Å; L778-A780 PolarHBondContact O-N 2.84Å; L778-L781 HydrophobicContact CD2-CD1 4.26Å; L778-L781 WeakPolarHBondContact O-CB 3.49Å; L778-L781 PolarHBondContact O-N 2.94Å
779	Q	76.4	Confident	74.6	Confident	108 Å²	108	69.5 Å²	69.5	51%	0.505	34%	0.335	S	S	.	.	H	α-helix	trans	-64.1	-33.2	175.4	-73.8	-179.3	-19.5	0	0	112.8	C747 K775 S776 L781 E782	C747-Q779 HydrophobicContact CB-CB 4.25Å; C747-Q779 PolarHBondContact O-OE1 3.45Å; K775-Q779 WeakPolarHBondContact O-CG 3.11Å; K775-Q779 PolarHBondContact O-N 3.22Å; S776-Q779 PolarHBondContact O-N 2.91Å; Q779-L781 VanDerWaalsContact C-N 3.31Å; Q779-L781 PolarHBondContact O-N 2.77Å; Q779-E782 WeakPolarHBondContact O-CB 3.34Å; Q779-E782 PolarHBondContact O-N 3.43Å
780	A	78	Confident	73.4	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-67.7	-27.8	175.3	0	0	0	0	0	113.2	V724 F744 F771 S776 A777 L778 E782 M783 V795	V724-A780 HydrophobicContact CG1-CB 4.29Å; V724-A780 HydrophobicContact CG2-CB 4.21Å; F744-A780 HydrophobicContact CD1-CB 4.1Å; F744-A780 HydrophobicContact CE1-CB 4.15Å; F771-A780 HydrophobicContact CE2-CB 3.54Å; F771-A780 HydrophobicContact CZ-CB 3.63Å; S776-A780 WeakPolarHBondContact O-CB 3.3Å; S776-A780 PolarHBondContact O-N 3.4Å; A777-A780 PolarHBondContact O-N 3.35Å; L778-A780 VanDerWaalsContact C-N 3.3Å; L778-A780 PolarHBondContact O-N 2.84Å; A780-E782 VanDerWaalsContact C-N 3.27Å; A780-E782 PolarHBondContact O-N 3.46Å; A780-M783 PolarHBondContact O-N 2.68Å; A780-V795 WeakPolarHBondContact O-CG1 3.22Å
781	L	75.1	Confident	72.4	Confident	54 Å²	54	75 Å²	75	28%	0.283	38%	0.379	S	S	.	.	H	α-helix	trans	-68.1	-26.2	173.6	-62.5	172.7	0	0	0	112.8	V724 A777 L778 Q779 M783 V795 P797	V724-L781 HydrophobicContact CG1-CD2 4.3Å; A777-L781 WeakPolarHBondContact O-CG 3.44Å; A777-L781 PolarHBondContact O-N 3.25Å; L778-L781 HydrophobicContact CD2-CD1 4.26Å; L778-L781 WeakPolarHBondContact O-CB 3.49Å; L778-L781 PolarHBondContact O-N 2.94Å; Q779-L781 VanDerWaalsContact C-N 3.31Å; Q779-L781 PolarHBondContact O-N 2.77Å; L781-M783 PolarHBondContact O-N 2.73Å; L781-V795 HydrophobicContact CD2-CG1 4.35Å; L781-P797 HydrophobicContact CD1-CG 4.11Å; L781-P797 HydrophobicContact CD2-CG 4Å
782	E	73.9	Confident	71.5	Confident	170 Å²	170	77.4 Å²	77.4	79%	0.794	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-11	177.3	-160.9	159.5	-134.7	0	0	112.5	Q779 A780 D784	Q779-E782 WeakPolarHBondContact O-CB 3.34Å; Q779-E782 PolarHBondContact O-N 3.43Å; A780-E782 VanDerWaalsContact C-N 3.27Å; A780-E782 PolarHBondContact O-N 3.46Å; E782-D784 VanDerWaalsContact C-N 3.34Å
783	M	69.4	Low	71.2	Confident	38 Å²	38	72.2 Å²	72.2	19%	0.187	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	12.4	176	-67.9	-91	-80.1	0	0	113.7	A780 L781 K786	A780-M783 PolarHBondContact O-N 2.68Å; L781-M783 PolarHBondContact O-N 2.73Å; M783-K786 HydrophobicContact CE-CD 3.74Å; M783-K786 PolarHBondContact O-N 2.9Å; M783-K786 HydrophobicContact SD-CD 3.93Å
784	D	65.6	Low	70.9	Confident	41 Å²	41	69.2 Å²	69.2	22%	0.219	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	139.8	170.6	-171.6	52.7	0	0	0	111.5	E782 K786 F794 V795	E782-D784 VanDerWaalsContact C-N 3.34Å; D784-K786 VanDerWaalsContact C-N 3.32Å; D784-K786 PolarHBondContact O-N 2.98Å; D784-F794 VanDerWaalsContact OD1-CA 3.25Å; D784-F794 WeakPolarHBondContact OD1-CA 3.37Å; D784-V795 PolarHBondContact OD1-N 2.84Å; D784-V795 VanDerWaalsContact OD1-N 3.16Å
785	R	62.3	Low	70.9	Confident	97 Å²	97	64.1 Å²	64.1	37%	0.366	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	2.1	-179.4	-57.6	145.2	-170.1	-100	-5.2	117.5	S787 P792 M793 F794 Y812	R785-S787 PolarHBondContact O-N 2.81Å; R785-P792 HydrophobicContact CB-CB 4.43Å; R785-P792 WeakPolarHBondContact O-CB 3.37Å; R785-M793 WeakPolarHBondContact CA-O 3.47Å; R785-M793 PolarHBondContact N-O 2.85Å; R785-F794 HydrophobicContact CG-CD1 4.23Å; R785-F794 HydrophobicContact CG-CE1 4.03Å; R785-Y812 PolarHBondContact NH1-OH 2.93Å; R785-Y812 VanDerWaalsContact NH2-CE2 3.27Å; R785-Y812 PolarHBondContact NH2-OH 2.96Å
786	K	72.1	Confident	70.8	Confident	104 Å²	104	57.7 Å²	57.7	45%	0.452	31%	0.308	S	S	.	.			trans	-59.5	130.6	176.7	-164.9	169.3	-172.4	171.4	0	111	M783 D784 V788 M793	M783-K786 HydrophobicContact CE-CD 3.74Å; M783-K786 PolarHBondContact O-N 2.9Å; M783-K786 HydrophobicContact SD-CD 3.93Å; D784-K786 VanDerWaalsContact C-N 3.32Å; D784-K786 PolarHBondContact O-N 2.98Å; K786-V788 PolarHBondContact O-N 2.8Å; K786-M793 HydrophobicContact CB-CG 4.32Å; K786-M793 HydrophobicContact CB-SD 4.06Å; K786-M793 VanDerWaalsContact O-CG 3.3Å; K786-M793 WeakPolarHBondContact O-CG 3.25Å; K786-M793 PolarHBondContact O-N 3.25Å
787	S	64.7	Low	70.6	Confident	96 Å²	96	60 Å²	60	67%	0.671	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.5	-177.7	-66	0	0	0	0	111.9	R785 R791	R785-S787 PolarHBondContact O-N 2.81Å; S787-R791 WeakPolarHBondContact CA-O 3.32Å
788	V	66.3	Low	70.2	Confident	16 Å²	16	60.1 Å²	60.1	10%	0.097	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.2	173.9	-177.8	0	0	0	0	108.1	M733 L743 K786 G790 R791 M793	M733-V788 HydrophobicContact CE-CG1 3.8Å; L743-V788 HydrophobicContact CD1-CG1 4.39Å; L743-V788 HydrophobicContact CD1-CG2 3.77Å; K786-V788 PolarHBondContact O-N 2.8Å; V788-G790 PolarHBondContact O-N 3.11Å; V788-G790 VanDerWaalsContact O-N 3.13Å; V788-R791 PolarHBondContact N-O 3.12Å; V788-R791 PolarHBondContact O-N 3.42Å; V788-R791 VanDerWaalsContact O-O 3.1Å; V788-M793 HydrophobicContact CG2-CB 4.34Å; V788-M793 HydrophobicContact CG2-CE 4.41Å; V788-M793 HydrophobicContact CG2-CG 4.4Å; V788-M793 HydrophobicContact CG2-SD 3.58Å; V788-M793 VanDerWaalsContact CG2-SD 3.58Å
789	E	61.1	Low	69.6	Low	101 Å²	101	56.8 Å²	56.8	47%	0.472	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	42.1	-179	-63.7	-177.6	169	0	0	113.3	P730 M733 K739 R791	P730-E789 HydrophobicContact CG-CB 4.02Å; P730-E789 WeakPolarHBondContact CG-OE2 3.33Å; M733-E789 HydrophobicContact CE-CG 4.23Å; M733-E789 WeakPolarHBondContact CE-OE2 3.46Å; K739-E789 IonicContact NZ-OE1 2.7Å; K739-E789 PolarHBondContact NZ-OE1 3.36Å; E789-R791 PolarHBondContact O-N 2.86Å
790	G	57.3	Low	68.7	Low	77 Å²	77	53.1 Å²	53.1	79%	0.794	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	10	179	0	0	0	0	0	115.8	V788	V788-G790 PolarHBondContact O-N 3.11Å; V788-G790 VanDerWaalsContact O-N 3.13Å
791	R	63	Low	67.7	Low	56 Å²	56	61.3 Å²	61.3	21%	0.211	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.1	176.2	-57.5	-174.2	-173.7	-154.7	-2.7	111.1	S787 V788 E789 M793 R854	S787-R791 WeakPolarHBondContact CA-O 3.32Å; V788-R791 PolarHBondContact N-O 3.12Å; V788-R791 PolarHBondContact O-N 3.42Å; V788-R791 VanDerWaalsContact O-O 3.1Å; E789-R791 PolarHBondContact O-N 2.86Å; R791-M793 PolarHBondContact O-N 2.9Å; R791-R854 PolarHBondContact NH2-O 3.08Å; R791-R854 VanDerWaalsContact NH2-O 3.14Å
792	P	65.8	Low	66.7	Low	51 Å²	51	63.1 Å²	63.1	33%	0.331	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	120.7	172.9	28.3	-32.4	0	0	0	109.5	N728 R785 F794	N728-P792 PolarHBondContact ND2-O 3.41Å; R785-P792 HydrophobicContact CB-CB 4.43Å; R785-P792 WeakPolarHBondContact O-CB 3.37Å; P792-F794 HydrophobicContact CB-CE1 4.46Å; P792-F794 HydrophobicContact CG-CZ 4.2Å
793	M	75.9	Confident	65.7	Low	2 Å²	2	60.7 Å²	60.7	1%	0.01	33%	0.332	C	S	.	.			trans	-72.2	141.8	170.4	74.7	-163.2	-60.6	0	0	109.6	V726 L729 L740 F744 R785 K786 V788 R791 V795	V726-M793 HydrophobicContact CG1-CE 3.76Å; L729-M793 HydrophobicContact CD2-CB 4.38Å; L740-M793 HydrophobicContact CD2-CE 4.22Å; F744-M793 HydrophobicContact CE1-CE 4.33Å; F744-M793 HydrophobicContact CE2-CE 3.73Å; F744-M793 HydrophobicContact CZ-CE 3.4Å; R785-M793 WeakPolarHBondContact CA-O 3.47Å; R785-M793 PolarHBondContact N-O 2.85Å; K786-M793 HydrophobicContact CB-CG 4.32Å; K786-M793 HydrophobicContact CB-SD 4.06Å; K786-M793 VanDerWaalsContact O-CG 3.3Å; K786-M793 WeakPolarHBondContact O-CG 3.25Å; K786-M793 PolarHBondContact O-N 3.25Å; V788-M793 HydrophobicContact CG2-CB 4.34Å; V788-M793 HydrophobicContact CG2-CE 4.41Å; V788-M793 HydrophobicContact CG2-CG 4.4Å; V788-M793 HydrophobicContact CG2-SD 3.58Å; V788-M793 VanDerWaalsContact CG2-SD 3.58Å; R791-M793 PolarHBondContact O-N 2.9Å; M793-V795 HydrophobicContact CE-CG2 4.49Å; M793-V795 HydrophobicContact CG-CG2 4.46Å
794	F	73.9	Confident	64.7	Low	45 Å²	45	63.3 Å²	63.3	20%	0.197	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.7	171.3	-57	-59.8	0	0	0	110.1	V726 S727 N728 D784 R785 P792	V726-F794 CarbonylContact C-O 3.59Å; V726-F794 VanDerWaalsContact CA-O 3.31Å; V726-F794 WeakPolarHBondContact CA-O 3.49Å; S727-F794 PolarHBondContact N-O 3.3Å; S727-F794 PolarHBondContact O-N 2.91Å; N728-F794 HydrophobicContact CB-CD2 3.44Å; N728-F794 VanDerWaalsContact CB-CD2 3.44Å; N728-F794 HydrophobicContact CB-CE2 3.57Å; D784-F794 VanDerWaalsContact OD1-CA 3.25Å; D784-F794 WeakPolarHBondContact OD1-CA 3.37Å; R785-F794 HydrophobicContact CG-CD1 4.23Å; R785-F794 HydrophobicContact CG-CE1 4.03Å; P792-F794 HydrophobicContact CB-CE1 4.46Å; P792-F794 HydrophobicContact CG-CZ 4.2Å
795	V	77.3	Confident	64	Low	8 Å²	8	66.8 Å²	66.8	5%	0.048	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.6	179.5	-166	0	0	0	0	109.6	V724 F725 V726 F744 A780 L781 D784 M793	V724-V795 HydrophobicContact CB-CG1 3.93Å; V724-V795 HydrophobicContact CG1-CG1 4.48Å; V724-V795 HydrophobicContact CG2-CG1 3.93Å; F725-V795 WeakPolarHBondContact O-CA 3.31Å; V726-V795 HydrophobicContact CG2-CG1 4.31Å; F744-V795 HydrophobicContact CE1-CG2 4.29Å; F744-V795 HydrophobicContact CZ-CG2 4.24Å; A780-V795 WeakPolarHBondContact O-CG1 3.22Å; L781-V795 HydrophobicContact CD2-CG1 4.35Å; D784-V795 PolarHBondContact OD1-N 2.84Å; D784-V795 VanDerWaalsContact OD1-N 3.16Å; M793-V795 HydrophobicContact CE-CG2 4.49Å; M793-V795 HydrophobicContact CG-CG2 4.46Å
796	S	76.6	Confident	63.3	Low	16 Å²	16	69.1 Å²	69.1	11%	0.112	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	157.8	-175.5	-56.2	0	0	0	0	110.8	V724 F725	V724-S796 CarbonylContact C-O 3.34Å; V724-S796 WeakPolarHBondContact CA-O 3.33Å; V724-S796 WeakPolarHBondContact CB-O 3.31Å; F725-S796 PolarHBondContact N-O 3.4Å; F725-S796 PolarHBondContact O-N 3.21Å
797	P	75.1	Confident	62	Low	61 Å²	61	69.2 Å²	69.2	40%	0.396	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	147.6	174.8	-20	32.8	0	0	0	110.9	L781 V799	L781-P797 HydrophobicContact CD1-CG 4.11Å; L781-P797 HydrophobicContact CD2-CG 4Å; P797-V799 HydrophobicContact CB-CG2 4.24Å; P797-V799 PolarHBondContact O-N 3.3Å
798	C	68.6	Low	61	Low	9 Å²	9	71.8 Å²	71.8	6%	0.061	39%	0.391	C	S	.	.			trans	-72.7	125.4	165.7	-167	0	0	0	0	109	H715 T723	H715-C798 PolarHBondContact NE2-SG 2.93Å; T723-C798 WeakPolarHBondContact O-CB 3.31Å; T723-C798 PolarHBondContact O-N 2.9Å; T723-C798 WeakPolarHBondContact OG1-CB 3.49Å
799	V	64.1	Low	60	Low	42 Å²	42	74 Å²	74	26%	0.255	40%	0.404	S	S	.	.			trans	-136.2	123.9	178	-174	0	0	0	0	109.1	P797 K801 N804 F807	P797-V799 HydrophobicContact CB-CG2 4.24Å; P797-V799 PolarHBondContact O-N 3.3Å; V799-K801 PolarHBondContact O-N 3.35Å; V799-K801 VanDerWaalsContact O-N 3.16Å; V799-N804 HydrophobicContact CG1-CB 4.23Å; V799-F807 HydrophobicContact CB-CD1 4.26Å; V799-F807 HydrophobicContact CB-CG 4.4Å; V799-F807 HydrophobicContact CG1-CB 4.08Å; V799-F807 HydrophobicContact CG1-CD1 4.36Å; V799-F807 HydrophobicContact CG1-CD2 4.34Å; V799-F807 HydrophobicContact CG1-CG 3.99Å; V799-F807 HydrophobicContact CG2-CD1 3.77Å; V799-F807 HydrophobicContact CG2-CE1 3.77Å; V799-F807 HydrophobicContact CG2-CG 4.16Å; V799-F807 HydrophobicContact CG2-CZ 4.15Å
800	D	57.8	Low	58.9	Low	31 Å²	31	76.2 Å²	76.2	17%	0.166	41%	0.412	C	S	.	.			trans	-67.6	108.9	178.5	-168.9	-11.3	0	0	0	111	H715 S802 K803 N804	H715-D800 IonicContact CD2-OD1 3.44Å; H715-D800 IonicContact CD2-OD2 3.04Å; H715-D800 PolarHBondContact CD2-OD2 3.26Å; D800-S802 PolarHBondContact O-N 3.1Å; D800-S802 WeakPolarHBondContact OD1-CB 3.45Å; D800-S802 PolarHBondContact OD1-N 2.87Å; D800-S802 VanDerWaalsContact OD1-N 3.1Å; D800-S802 PolarHBondContact OD1-OG 3Å; D800-S802 PolarHBondContact OD2-OG 3.37Å; D800-S802 VanDerWaalsContact OD2-OG 3.06Å; D800-K803 HydrophobicContact CB-CD 4.34Å; D800-K803 HydrophobicContact CB-CG 4.47Å; D800-K803 PolarHBondContact O-N 3.11Å; D800-K803 IonicContact OD2-NZ 3.96Å; D800-N804 PolarHBondContact O-N 3.24Å
801	K	55.2	Low	58.1	Low	172 Å²	172	83.2 Å²	83.2	75%	0.748	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.8	-179.4	-68	-177.1	177.8	179.7	0	113.6	V799 K803	V799-K801 PolarHBondContact O-N 3.35Å; V799-K801 VanDerWaalsContact O-N 3.16Å; K801-K803 VanDerWaalsContact C-N 3.28Å
802	S	55.5	Low	57.1	Low	93 Å²	93	84.6 Å²	84.6	65%	0.65	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.7	175.1	68.8	0	0	0	0	113.5	D800	D800-S802 PolarHBondContact O-N 3.1Å; D800-S802 WeakPolarHBondContact OD1-CB 3.45Å; D800-S802 PolarHBondContact OD1-N 2.87Å; D800-S802 VanDerWaalsContact OD1-N 3.1Å; D800-S802 PolarHBondContact OD1-OG 3Å; D800-S802 PolarHBondContact OD2-OG 3.37Å; D800-S802 VanDerWaalsContact OD2-OG 3.06Å
803	K	52.9	Low	55.8	Low	119 Å²	119	85.5 Å²	85.5	52%	0.517	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-32.6	-175.9	-62	178.4	-169.6	170.8	0	114	S717 D800 K801	S717-K803 PolarHBondContact OG-NZ 2.7Å; D800-K803 HydrophobicContact CB-CD 4.34Å; D800-K803 HydrophobicContact CB-CG 4.47Å; D800-K803 PolarHBondContact O-N 3.11Å; D800-K803 IonicContact OD2-NZ 3.96Å; K801-K803 VanDerWaalsContact C-N 3.28Å
804	N	48.3	Very low	54.3	Low	92 Å²	92	91 Å²	91	49%	0.492	46%	0.462	S	S	.	.			trans	-131.5	86.1	177.5	-79.7	-40.9	0	0	0	111	V799 D800 D806 F807	V799-N804 HydrophobicContact CG1-CB 4.23Å; D800-N804 PolarHBondContact O-N 3.24Å; N804-D806 VanDerWaalsContact C-N 3.26Å; N804-D806 PolarHBondContact O-N 2.97Å; N804-F807 HydrophobicContact CB-CB 4.07Å; N804-F807 PolarHBondContact O-N 2.77Å
805	P	50.6	Low	53.3	Low	115 Å²	115	91.9 Å²	91.9	75%	0.747	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.6	177.9	25.4	-33.8	0	0	0	113.1	F807	P805-F807 VanDerWaalsContact C-N 3.34Å; P805-F807 PolarHBondContact O-N 2.94Å
806	D	46.7	Very low	52	Low	146 Å²	146	96.1 Å²	96.1	78%	0.781	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	0.2	-179.4	-75.9	-49.5	0	0	0	115.1	N804 K808	N804-D806 VanDerWaalsContact C-N 3.26Å; N804-D806 PolarHBondContact O-N 2.97Å; D806-K808 PolarHBondContact O-N 3.17Å
807	F	46.5	Very low	51.3	Low	105 Å²	105	97.4 Å²	97.4	46%	0.461	50%	0.5	S	S	.	.			trans	-72.7	94	-176.6	-154.9	-84.3	0	0	0	111.7	V799 N804 P805 V809	V799-F807 HydrophobicContact CB-CD1 4.26Å; V799-F807 HydrophobicContact CB-CG 4.4Å; V799-F807 HydrophobicContact CG1-CB 4.08Å; V799-F807 HydrophobicContact CG1-CD1 4.36Å; V799-F807 HydrophobicContact CG1-CD2 4.34Å; V799-F807 HydrophobicContact CG1-CG 3.99Å; V799-F807 HydrophobicContact CG2-CD1 3.77Å; V799-F807 HydrophobicContact CG2-CE1 3.77Å; V799-F807 HydrophobicContact CG2-CG 4.16Å; V799-F807 HydrophobicContact CG2-CZ 4.15Å; N804-F807 HydrophobicContact CB-CB 4.07Å; N804-F807 PolarHBondContact O-N 2.77Å; P805-F807 VanDerWaalsContact C-N 3.34Å; P805-F807 PolarHBondContact O-N 2.94Å; F807-V809 PolarHBondContact O-N 3.23Å
808	K	43.3	Very low	50.7	Low	151 Å²	151	98.7 Å²	98.7	66%	0.657	50%	0.499	S	S	*	.			trans	-66.3	97.2	179.7	-64.4	-176.1	-175.3	-179	0	110.9	D806 F810	D806-K808 PolarHBondContact O-N 3.17Å; K808-F810 PolarHBondContact O-N 3.29Å
809	V	44.8	Very low	50.8	Low	63 Å²	63	102.2 Å²	102.2	38%	0.382	52%	0.515	S	S	.	.			trans	-59.3	-15.6	172.7	-176.5	0	0	0	0	112.5	F725 F807	F725-V809 HydrophobicContact CD1-CG1 4.26Å; F725-V809 HydrophobicContact CE1-CG1 4.34Å; F807-V809 PolarHBondContact O-N 3.23Å
810	F	37.7	Very low	51.3	Low	147 Å²	147	101.4 Å²	101.4	65%	0.645	51%	0.508	S	S	*	.	S	Bend	trans	-95.3	123.4	174	-90.6	-103.4	0	0	0	112.2	K808 Y812	K808-F810 PolarHBondContact O-N 3.29Å; F810-Y812 PolarHBondContact O-N 2.85Å
811	R	41.8	Very low	52.4	Low	224 Å²	224	100 Å²	100	85%	0.845	50%	0.5	S	S	*	.	S	Bend	trans	-74.6	29.7	172.3	-140.2	-173.6	-156.3	-174.3	8.8	113.4
812	Y	42.1	Very low	53.6	Low	85 Å²	85	94.4 Å²	94.4	33%	0.333	48%	0.476	S	S	.	.	S	Bend	trans	-138.2	139	-177.5	-75.1	-68.7	0	0	0	110	R785 F810	R785-Y812 PolarHBondContact NH1-OH 2.93Å; R785-Y812 VanDerWaalsContact NH2-CE2 3.27Å; R785-Y812 PolarHBondContact NH2-OH 2.96Å; F810-Y812 PolarHBondContact O-N 2.85Å
813	S	38.5	Very low	54.7	Low	70 Å²	70	90 Å²	90	49%	0.49	45%	0.445	S	S	.	.			trans	-85.9	140	-176.1	50.9	0	0	0	0	112.3	S815	S813-S815 VanDerWaalsContact CB-OG 3.3Å; S813-S815 WeakPolarHBondContact CB-OG 3.15Å; S813-S815 PolarHBondContact O-N 3.03Å; S813-S815 PolarHBondContact OG-OG 2.69Å
814	T	44	Very low	56	Low	118 Å²	118	85.7 Å²	85.7	72%	0.724	43%	0.43	S	S	*	.	S	Bend	trans	-80	43.2	172.9	53.7	0	0	0	0	111.7
815	S	51.5	Low	57.1	Low	63 Å²	63	82.9 Å²	82.9	44%	0.441	42%	0.422	S	S	.	.	S	Bend	trans	-122.4	145	-178.2	57.4	0	0	0	0	108.4	S813 E817	S813-S815 VanDerWaalsContact CB-OG 3.3Å; S813-S815 WeakPolarHBondContact CB-OG 3.15Å; S813-S815 PolarHBondContact O-N 3.03Å; S813-S815 PolarHBondContact OG-OG 2.69Å; S815-E817 VanDerWaalsContact O-CG 3.3Å; S815-E817 WeakPolarHBondContact O-CG 3.33Å; S815-E817 PolarHBondContact O-N 3.42Å
816	L	50	Low	58.4	Low	97 Å²	97	77.6 Å²	77.6	51%	0.508	39%	0.388	S	S	.	.			trans	-44.8	104	-179.5	-172.3	71	0	0	0	112.2	K818 N895	L816-K818 VanDerWaalsContact C-N 3.28Å; L816-K818 HydrophobicContact CD2-CG 4.3Å; L816-K818 HydrophobicContact CG-CG 4.33Å; L816-K818 PolarHBondContact O-N 3.16Å; L816-N895 HydrophobicContact CD1-CB 3.65Å
817	E	61.8	Low	59.5	Low	42 Å²	42	71.2 Å²	71.2	20%	0.196	35%	0.354	C	S	.	.			trans	-83.7	72.9	-172.6	-66.7	-166.9	117.7	0	0	109.5	S815 H819 K820	S815-E817 VanDerWaalsContact O-CG 3.3Å; S815-E817 WeakPolarHBondContact O-CG 3.33Å; S815-E817 PolarHBondContact O-N 3.42Å; E817-H819 PolarHBondContact O-N 2.88Å; E817-K820 HydrophobicContact CB-CB 4.29Å; E817-K820 HydrophobicContact CB-CD 4.26Å; E817-K820 HydrophobicContact CB-CG 4.24Å; E817-K820 PolarHBondContact O-N 3.42Å; E817-K820 WeakPolarHBondContact OE1-CE 3.25Å; E817-K820 IonicContact OE1-NZ 2.72Å; E817-K820 PolarHBondContact OE1-NZ 2.77Å; E817-K820 WeakPolarHBondContact OE2-CD 3.45Å; E817-K820 WeakPolarHBondContact OE2-CE 3.48Å; E817-K820 IonicContact OE2-NZ 3.62Å; E817-K820 PolarHBondContact OE2-NZ 3.04Å
818	K	63.3	Low	60.6	Low	89 Å²	89	73.6 Å²	73.6	39%	0.387	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-23.1	-171.8	-56.7	-175	-177.8	177.3	0	115.9	L816 K820 E869	L816-K818 VanDerWaalsContact C-N 3.28Å; L816-K818 HydrophobicContact CD2-CG 4.3Å; L816-K818 HydrophobicContact CG-CG 4.33Å; L816-K818 PolarHBondContact O-N 3.16Å; K818-K820 VanDerWaalsContact C-N 3.28Å; K818-E869 HydrophobicContact CB-CG 4.02Å; K818-E869 HydrophobicContact CD-CG 4.11Å; K818-E869 WeakPolarHBondContact CD-OE1 3.16Å; K818-E869 VanDerWaalsContact CD-OE2 3.27Å; K818-E869 WeakPolarHBondContact CD-OE2 3.32Å; K818-E869 VanDerWaalsContact NZ-CD 3.35Å; K818-E869 IonicContact NZ-OE1 3.48Å; K818-E869 PolarHBondContact NZ-OE1 3.37Å; K818-E869 IonicContact NZ-OE2 3.9Å; K818-E869 PolarHBondContact NZ-OE2 2.93Å
819	H	71.1	Confident	61.8	Low	83 Å²	83	70.2 Å²	70.2	38%	0.384	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.5	176.1	-55.8	-86.4	0	0	0	113.4	E817 Y866 E869	E817-H819 PolarHBondContact O-N 2.88Å; H819-Y866 PolarHBondContact O-N 2.75Å; H819-E869 PolarHBondContact ND1-N 3.42Å
820	K	75.1	Confident	62.8	Low	25 Å²	25	67.6 Å²	67.6	11%	0.109	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.9	-177.2	-59.6	-169.3	-162.2	162.6	0	111.9	E817 K818 V864 E865 S894	E817-K820 HydrophobicContact CB-CB 4.29Å; E817-K820 HydrophobicContact CB-CD 4.26Å; E817-K820 HydrophobicContact CB-CG 4.24Å; E817-K820 PolarHBondContact O-N 3.42Å; E817-K820 WeakPolarHBondContact OE1-CE 3.25Å; E817-K820 IonicContact OE1-NZ 2.72Å; E817-K820 PolarHBondContact OE1-NZ 2.77Å; E817-K820 WeakPolarHBondContact OE2-CD 3.45Å; E817-K820 WeakPolarHBondContact OE2-CE 3.48Å; E817-K820 IonicContact OE2-NZ 3.62Å; E817-K820 PolarHBondContact OE2-NZ 3.04Å; K818-K820 VanDerWaalsContact C-N 3.28Å; K820-V864 CarbonylContact C-O 3.49Å; K820-V864 VanDerWaalsContact CA-O 3.29Å; K820-V864 WeakPolarHBondContact CA-O 3.29Å; K820-E865 HydrophobicContact CD-CB 4.36Å; K820-E865 HydrophobicContact CD-CG 4.47Å; K820-E865 WeakPolarHBondContact CE-OE2 3.49Å; K820-E865 HydrophobicContact CG-CB 3.9Å; K820-E865 HydrophobicContact CG-CG 3.9Å; K820-E865 IonicContact NZ-OE2 3.6Å; K820-S894 VanDerWaalsContact O-CB 3.28Å; K820-S894 WeakPolarHBondContact O-CB 3.46Å; K820-S894 PolarHBondContact O-N 2.82Å
821	L	79.4	Confident	64.4	Low	1 Å²	1	63.3 Å²	63.3	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	147.4	172.9	-54.7	-170.8	0	0	0	111	Y863 V864 Y866 A872 A875 V876 V891 A892 I893	L821-Y863 CarbonylContact O-C 3.58Å; L821-Y863 VanDerWaalsContact O-CA 3.26Å; L821-Y863 WeakPolarHBondContact O-CA 3.32Å; L821-V864 PolarHBondContact N-O 3.14Å; L821-V864 PolarHBondContact O-N 2.68Å; L821-Y866 HydrophobicContact CD1-CD2 4.24Å; L821-Y866 HydrophobicContact CD1-CE2 3.75Å; L821-Y866 HydrophobicContact CG-CD2 4.27Å; L821-Y866 HydrophobicContact CG-CE2 4.18Å; L821-A872 WeakPolarHBondContact CD1-O 3.33Å; L821-A872 HydrophobicContact CD2-CB 3.92Å; L821-A872 HydrophobicContact CG-CB 4.26Å; L821-A875 HydrophobicContact CD1-CB 3.71Å; L821-V876 HydrophobicContact CD1-CG2 3.92Å; L821-V876 HydrophobicContact CD2-CG2 3.45Å; L821-V876 VanDerWaalsContact CD2-CG2 3.45Å; L821-V876 HydrophobicContact CG-CG2 4.3Å; L821-V891 HydrophobicContact CB-CG1 4.26Å; L821-V891 HydrophobicContact CD1-CG1 3.75Å; L821-A892 CarbonylContact C-O 3.59Å; L821-A892 WeakPolarHBondContact CA-O 3.35Å; L821-I893 HydrophobicContact CD2-CG1 4.02Å
822	F	81.6	Confident	66	Low	54 Å²	54	57.1 Å²	57.1	24%	0.237	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.9	167.3	171.6	-111.4	0	0	0	108	L861 Y863 A892	F822-L861 HydrophobicContact CE2-CB 4.17Å; F822-L861 HydrophobicContact CE2-CD1 4.23Å; F822-L861 HydrophobicContact CE2-CD2 4.12Å; F822-L861 HydrophobicContact CE2-CG 4.41Å; F822-L861 HydrophobicContact CZ-CD1 4.28Å; F822-L861 HydrophobicContact CZ-CD2 3.78Å; F822-L861 HydrophobicContact CZ-CG 4.46Å; F822-Y863 HydrophobicContact CB-CD1 4.27Å; F822-Y863 HydrophobicContact CB-CE1 4.09Å; F822-Y863 HydrophobicContact CD2-CD1 4.16Å; F822-Y863 AromaticContact CD2-CE1 3.6Å; F822-Y863 HydrophobicContact CD2-CE1 3.6Å; F822-Y863 HydrophobicContact CD2-CE2 4.09Å; F822-Y863 AromaticContact CD2-CZ 3.55Å; F822-Y863 HydrophobicContact CE2-CE1 4.47Å; F822-Y863 HydrophobicContact CE2-CE2 4.37Å; F822-Y863 AromaticContact CE2-CZ 3.99Å; F822-Y863 HydrophobicContact CG-CE1 4.25Å; F822-A892 PolarHBondContact N-O 2.7Å; F822-A892 PolarHBondContact O-N 3.04Å
823	I	78.2	Confident	67.6	Low	1 Å²	1	59.2 Å²	59.2	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.1	176.4	-55.1	-178.3	0	0	0	107.8	L826 L835 L861 A862 V864 M879 I889 K890 V891	I823-L826 HydrophobicContact CB-CD1 4.27Å; I823-L826 HydrophobicContact CG2-CD1 3.72Å; I823-L826 HydrophobicContact CG2-CD2 4.15Å; I823-L826 HydrophobicContact CG2-CG 3.8Å; I823-L835 HydrophobicContact CD1-CD1 4.15Å; I823-L861 CarbonylContact O-C 3.47Å; I823-L861 VanDerWaalsContact O-CA 3.31Å; I823-L861 WeakPolarHBondContact O-CA 3.3Å; I823-A862 HydrophobicContact CB-CB 4.44Å; I823-A862 PolarHBondContact N-O 2.85Å; I823-A862 PolarHBondContact O-N 3.32Å; I823-V864 HydrophobicContact CD1-CG2 3.68Å; I823-V864 HydrophobicContact CG1-CG2 4.35Å; I823-M879 HydrophobicContact CD1-CE 4.18Å; I823-I889 HydrophobicContact CG2-CB 4.38Å; I823-I889 HydrophobicContact CG2-CD1 4.27Å; I823-K890 CarbonylContact C-O 3.38Å; I823-K890 WeakPolarHBondContact CA-O 3.31Å; I823-V891 HydrophobicContact CG1-CG1 4.17Å; I823-V891 HydrophobicContact CG1-CG2 4.12Å; I823-V891 HydrophobicContact CG2-CG2 4.21Å
824	S	80.1	Confident	69.3	Low	28 Å²	28	59 Å²	59	20%	0.196	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.4	-179.6	61	0	0	0	0	111.4	G860 L861 I889 K890	S824-G860 CarbonylContact C-O 3.6Å; S824-L861 VanDerWaalsContact CB-CD2 3.43Å; S824-I889 CarbonylContact O-C 3.59Å; S824-I889 WeakPolarHBondContact O-CA 3.42Å; S824-K890 PolarHBondContact N-O 3.14Å; S824-K890 PolarHBondContact O-N 3.44Å; S824-K890 PolarHBondContact OG-O 2.9Å
825	G	71	Confident	70.8	Confident	33 Å²	33	53.4 Å²	53.4	34%	0.34	28%	0.28	S	S	.	.			trans	88.4	1.9	-176	0	0	0	0	0	115	G860 N887	G825-G860 PolarHBondContact N-O 3.33Å; G825-N887 VanDerWaalsContact O-CB 3.31Å; G825-N887 WeakPolarHBondContact O-CB 3.23Å; G825-N887 PolarHBondContact O-ND2 2.85Å
826	L	77.6	Confident	72.1	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.026	27%	0.27	C	S	.	.			trans	-57.7	136.7	179.9	-72.5	160.8	0	0	0	111.5	I823 L835 G860 A862 I884 I889	I823-L826 HydrophobicContact CB-CD1 4.27Å; I823-L826 HydrophobicContact CG2-CD1 3.72Å; I823-L826 HydrophobicContact CG2-CD2 4.15Å; I823-L826 HydrophobicContact CG2-CG 3.8Å; L826-L835 HydrophobicContact CD1-CD1 4.36Å; L826-L835 HydrophobicContact CD1-CD2 3.71Å; L826-L835 HydrophobicContact CD2-CD1 3.82Å; L826-G860 PolarHBondContact N-O 2.88Å; L826-G860 WeakPolarHBondContact O-CA 3.46Å; L826-A862 HydrophobicContact CD1-CB 3.7Å; L826-I884 HydrophobicContact CD2-CD1 4.32Å; L826-I889 HydrophobicContact CD2-CG2 3.82Å; L826-I889 HydrophobicContact CG-CG2 4.19Å
827	P	70.3	Confident	73.5	Confident	11 Å²	11	54.9 Å²	54.9	7%	0.071	28%	0.277	C	S	.	.			trans	-67.1	146.9	179	28.4	-34.4	0	0	0	111	S829 C830 I884 K885 N887	P827-S829 PolarHBondContact O-N 3.46Å; P827-C830 HydrophobicContact CG-CB 4.2Å; P827-C830 WeakPolarHBondContact O-CB 3.39Å; P827-C830 PolarHBondContact O-N 2.67Å; P827-I884 HydrophobicContact CG-CG2 4.23Å; P827-K885 HydrophobicContact CG-CB 4.21Å; P827-N887 HydrophobicContact CB-CB 4.34Å
828	F	70.4	Confident	74.2	Confident	155 Å²	155	55.4 Å²	55.4	68%	0.68	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-4.5	-174.8	-56.7	-64.7	0	0	0	114.9	P858	F828-P858 HydrophobicContact CB-CG 4.47Å; F828-P858 WeakPolarHBondContact CD1-O 3.43Å; F828-P858 WeakPolarHBondContact O-CG 3.38Å
829	S	67.4	Low	74.7	Confident	80 Å²	80	51.1 Å²	51.1	56%	0.559	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-6.6	175.6	53.5	0	0	0	0	114.2	P827 T831	P827-S829 PolarHBondContact O-N 3.46Å; S829-T831 PolarHBondContact O-N 3.07Å
830	C	65.6	Low	75	Confident	9 Å²	9	52.7 Å²	52.7	6%	0.061	27%	0.268	C	S	.	.			trans	-72.1	126.4	-178.3	-172.2	0	0	0	0	111.6	P827 E834	P827-C830 HydrophobicContact CG-CB 4.2Å; P827-C830 WeakPolarHBondContact O-CB 3.39Å; P827-C830 PolarHBondContact O-N 2.67Å; C830-E834 WeakPolarHBondContact CA-OE2 3.37Å
831	T	71.8	Confident	74.9	Confident	57 Å²	57	55.1 Å²	55.1	35%	0.35	29%	0.293	S	S	.	.			trans	-85.8	171.1	177.7	80.3	0	0	0	0	111.9	S829 E833 E834	S829-T831 PolarHBondContact O-N 3.07Å; T831-E833 VanDerWaalsContact C-N 3.33Å; T831-E833 WeakPolarHBondContact CB-OE2 3.16Å; T831-E833 PolarHBondContact OG1-N 2.6Å; T831-E833 PolarHBondContact OG1-OE2 3.03Å; T831-E834 PolarHBondContact N-OE2 2.96Å; T831-E834 PolarHBondContact OG1-N 3.43Å
832	K	74.4	Confident	74.3	Confident	94 Å²	94	57.3 Å²	57.3	41%	0.409	30%	0.302	S	S	.	.	H	α-helix	trans	-63.6	-41.8	174	-165.8	-161	164.1	-168.4	0	110.7	L835 E836 L848	K832-L835 PolarHBondContact O-N 3.13Å; K832-E836 WeakPolarHBondContact CE-OE2 3.2Å; K832-E836 IonicContact NZ-OE2 2.69Å; K832-E836 PolarHBondContact NZ-OE2 3.24Å; K832-E836 WeakPolarHBondContact O-CB 3.25Å; K832-E836 PolarHBondContact O-N 2.87Å; K832-E836 VanDerWaalsContact O-N 3.09Å; K832-L848 HydrophobicContact CD-CD2 4.32Å; K832-L848 VanDerWaalsContact CE-O 3.29Å; K832-L848 WeakPolarHBondContact CE-O 3.37Å; K832-L848 HydrophobicContact CG-CD2 3.56Å
833	E	76.6	Confident	73.9	Confident	129 Å²	129	55.4 Å²	55.4	60%	0.603	30%	0.298	S	S	*	.	H	α-helix	trans	-63	-47.1	-177.1	-57.9	84	-153.5	0	0	111.8	T831 L835 E836 E837	T831-E833 VanDerWaalsContact C-N 3.33Å; T831-E833 WeakPolarHBondContact CB-OE2 3.16Å; T831-E833 PolarHBondContact OG1-N 2.6Å; T831-E833 PolarHBondContact OG1-OE2 3.03Å; E833-L835 VanDerWaalsContact C-N 3.33Å; E833-L835 PolarHBondContact O-N 2.84Å; E833-E836 WeakPolarHBondContact O-CB 3.46Å; E833-E836 PolarHBondContact O-N 3.28Å; E833-E837 PolarHBondContact O-N 3.18Å
834	E	75.1	Confident	73.8	Confident	65 Å²	65	58.7 Å²	58.7	30%	0.304	32%	0.318	S	S	.	.	H	α-helix	trans	-56.4	-45.1	179.7	-67.8	-176.7	157	0	0	112.2	C830 T831 E836 E837 I838 K885	C830-E834 WeakPolarHBondContact CA-OE2 3.37Å; T831-E834 PolarHBondContact N-OE2 2.96Å; T831-E834 PolarHBondContact OG1-N 3.43Å; E834-E836 VanDerWaalsContact C-N 3.32Å; E834-E836 PolarHBondContact O-N 3.26Å; E834-E837 PolarHBondContact O-N 3.41Å; E834-I838 WeakPolarHBondContact O-CG1 3.26Å; E834-I838 PolarHBondContact O-N 3.09Å; E834-K885 IonicContact OE1-NZ 2.62Å; E834-K885 PolarHBondContact OE1-NZ 2.86Å; E834-K885 IonicContact OE2-NZ 3.24Å; E834-K885 PolarHBondContact OE2-NZ 3.11Å
835	L	75.1	Confident	73.7	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-70	-31.5	178.7	-169.5	62.2	0	0	0	112.1	I823 L826 K832 E833 C839 L848 A862	I823-L835 HydrophobicContact CD1-CD1 4.15Å; L826-L835 HydrophobicContact CD1-CD1 4.36Å; L826-L835 HydrophobicContact CD1-CD2 3.71Å; L826-L835 HydrophobicContact CD2-CD1 3.82Å; K832-L835 PolarHBondContact O-N 3.13Å; E833-L835 VanDerWaalsContact C-N 3.33Å; E833-L835 PolarHBondContact O-N 2.84Å; L835-C839 WeakPolarHBondContact O-CB 3.15Å; L835-C839 PolarHBondContact O-N 2.83Å; L835-C839 PolarHBondContact O-SG 2.97Å; L835-L848 HydrophobicContact CB-CD1 4.46Å; L835-L848 HydrophobicContact CD2-CD1 4.48Å; L835-L848 HydrophobicContact CD2-CD2 4.33Å; L835-L848 HydrophobicContact CG-CD1 4.2Å; L835-A862 HydrophobicContact CD2-CB 3.53Å
836	E	79.3	Confident	73.7	Confident	52 Å²	52	64 Å²	64	24%	0.243	33%	0.331	C	S	.	.	H	α-helix	trans	-70.9	-36.5	177.9	-156.2	-178.4	110	0	0	112	K832 E833 E834 K840 L848	K832-E836 WeakPolarHBondContact CE-OE2 3.2Å; K832-E836 IonicContact NZ-OE2 2.69Å; K832-E836 PolarHBondContact NZ-OE2 3.24Å; K832-E836 WeakPolarHBondContact O-CB 3.25Å; K832-E836 PolarHBondContact O-N 2.87Å; K832-E836 VanDerWaalsContact O-N 3.09Å; E833-E836 WeakPolarHBondContact O-CB 3.46Å; E833-E836 PolarHBondContact O-N 3.28Å; E834-E836 VanDerWaalsContact C-N 3.32Å; E834-E836 PolarHBondContact O-N 3.26Å; E836-K840 WeakPolarHBondContact O-CB 3.45Å; E836-K840 WeakPolarHBondContact O-CD 3.34Å; E836-K840 WeakPolarHBondContact O-CG 3.5Å; E836-K840 PolarHBondContact O-N 3.13Å; E836-K840 WeakPolarHBondContact OE1-CE 3.46Å; E836-K840 IonicContact OE1-NZ 3.69Å; E836-K840 PolarHBondContact OE1-NZ 3.25Å; E836-L848 HydrophobicContact CB-CD1 4.02Å; E836-L848 HydrophobicContact CG-CD1 4.18Å
837	E	77.9	Confident	73.3	Confident	139 Å²	139	67 Å²	67	65%	0.65	35%	0.347	S	S	*	.	H	α-helix	trans	-65.2	-46.6	172.4	-69.5	-170.7	160.7	0	0	112.2	E833 E834 C839 K840 A841	E833-E837 PolarHBondContact O-N 3.18Å; E834-E837 PolarHBondContact O-N 3.41Å; E837-C839 VanDerWaalsContact C-N 3.32Å; E837-C839 PolarHBondContact O-N 2.69Å; E837-K840 PolarHBondContact O-N 3.46Å; E837-A841 PolarHBondContact O-N 3.48Å
838	I	77	Confident	73.6	Confident	53 Å²	53	66.8 Å²	66.8	27%	0.272	35%	0.346	S	S	.	.	H	α-helix	trans	-61.4	-40.9	177.5	-64.4	168.5	0	0	0	110.8	E834 A841 M879 I884	E834-I838 WeakPolarHBondContact O-CG1 3.26Å; E834-I838 PolarHBondContact O-N 3.09Å; I838-A841 WeakPolarHBondContact O-CB 3.44Å; I838-A841 PolarHBondContact O-N 3.34Å; I838-M879 HydrophobicContact CG2-CE 3.82Å; I838-I884 HydrophobicContact CD1-CD1 3.87Å
839	C	73.2	Confident	73.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-70.6	-34.9	177.7	-67	0	0	0	0	113	L835 E837 A841 H842 G843 V845 V864 Y866	L835-C839 WeakPolarHBondContact O-CB 3.15Å; L835-C839 PolarHBondContact O-N 2.83Å; L835-C839 PolarHBondContact O-SG 2.97Å; E837-C839 VanDerWaalsContact C-N 3.32Å; E837-C839 PolarHBondContact O-N 2.69Å; C839-A841 PolarHBondContact O-N 2.82Å; C839-H842 PolarHBondContact O-N 3.28Å; C839-G843 PolarHBondContact O-N 2.83Å; C839-V845 HydrophobicContact CB-CG2 3.51Å; C839-V864 HydrophobicContact CB-CG1 4.31Å; C839-Y866 WeakPolarHBondContact CA-OH 3.34Å; C839-Y866 VanDerWaalsContact CB-OH 3.28Å; C839-Y866 WeakPolarHBondContact CB-OH 3.26Å; C839-Y866 PolarHBondContact O-OH 3.45Å
840	K	77.1	Confident	74.3	Confident	116 Å²	116	64.7 Å²	64.7	50%	0.504	32%	0.324	S	S	.	.	H	α-helix	trans	-60.9	-26.5	175.7	-81	164.6	-175.1	157.8	0	113.3	E836 E837 H842	E836-K840 WeakPolarHBondContact O-CB 3.45Å; E836-K840 WeakPolarHBondContact O-CD 3.34Å; E836-K840 WeakPolarHBondContact O-CG 3.5Å; E836-K840 PolarHBondContact O-N 3.13Å; E836-K840 WeakPolarHBondContact OE1-CE 3.46Å; E836-K840 IonicContact OE1-NZ 3.69Å; E836-K840 PolarHBondContact OE1-NZ 3.25Å; E837-K840 PolarHBondContact O-N 3.46Å; K840-H842 PolarHBondContact O-N 3.33Å
841	A	73.9	Confident	74.7	Confident	76 Å²	76	66 Å²	66	63%	0.628	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-11.7	173.8	0	0	0	0	0	113.9	E837 I838 C839	E837-A841 PolarHBondContact O-N 3.48Å; I838-A841 WeakPolarHBondContact O-CB 3.44Å; I838-A841 PolarHBondContact O-N 3.34Å; C839-A841 PolarHBondContact O-N 2.82Å
842	H	67.6	Low	74.3	Confident	46 Å²	46	67 Å²	67	21%	0.213	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-7.2	-174.3	-60	-40.7	0	0	0	114.9	C839 K840 A875 M879	C839-H842 PolarHBondContact O-N 3.28Å; K840-H842 PolarHBondContact O-N 3.33Å; H842-A875 HydrophobicContact CB-CB 4Å; H842-M879 VanDerWaalsContact CD2-CG 3.5Å; H842-M879 WeakPolarHBondContact CD2-CG 3.27Å
843	G	72.8	Confident	73.4	Confident	15 Å²	15	66 Å²	66	16%	0.155	34%	0.337	C	S	.	.	S	Bend	trans	171.4	178.4	171.6	0	0	0	0	0	114.6	C839 V845	C839-G843 PolarHBondContact O-N 2.83Å; G843-V845 PolarHBondContact O-N 3.5Å
844	T	75.9	Confident	71.9	Confident	69 Å²	69	69.2 Å²	69.2	42%	0.423	34%	0.343	S	S	.	.			trans	-74.9	107.1	172.9	-38.4	0	0	0	0	108.9	Y866 E867	T844-Y866 WeakPolarHBondContact O-CA 3.4Å; T844-E867 VanDerWaalsContact CB-OE2 3.22Å; T844-E867 WeakPolarHBondContact CB-OE2 3.38Å; T844-E867 HydrophobicContact CG2-CB 4.44Å; T844-E867 WeakPolarHBondContact CG2-OE2 3.45Å; T844-E867 PolarHBondContact O-N 2.89Å; T844-E867 PolarHBondContact OG1-OE2 3.46Å
845	V	77.9	Confident	70.4	Confident	31 Å²	31	70.6 Å²	70.6	19%	0.188	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.4	173.8	-178.6	0	0	0	0	109.6	C839 G843 L848 V864 Y866	C839-V845 HydrophobicContact CB-CG2 3.51Å; G843-V845 PolarHBondContact O-N 3.5Å; V845-L848 HydrophobicContact CG1-CB 4.08Å; V845-L848 HydrophobicContact CG1-CD1 4.4Å; V845-V864 HydrophobicContact CG1-CG1 3.83Å; V845-V864 HydrophobicContact CG2-CG1 4.14Å; V845-Y866 HydrophobicContact CG2-CD1 4.31Å; V845-Y866 HydrophobicContact CG2-CE1 3.82Å
846	K	70.8	Confident	69.3	Low	142 Å²	142	72.5 Å²	72.5	62%	0.617	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	-34.8	-174.6	-178.7	-178.7	167.3	-151.8	0	112.9	E865	K846-E865 HydrophobicContact CB-CG 4.43Å; K846-E865 WeakPolarHBondContact CB-O 3.26Å; K846-E865 HydrophobicContact CD-CG 4.35Å; K846-E865 WeakPolarHBondContact CD-OE1 3.36Å; K846-E865 VanDerWaalsContact CE-OE1 3.3Å; K846-E865 WeakPolarHBondContact CE-OE1 3.17Å; K846-E865 PolarHBondContact N-O 3.04Å; K846-E865 IonicContact NZ-OE1 2.96Å; K846-E865 PolarHBondContact NZ-OE1 3.26Å
847	D	68.4	Low	68.5	Low	68 Å²	68	78 Å²	78	36%	0.364	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	147.6	166.2	-168.3	7.9	0	0	0	109.4	E865	D847-E865 HydrophobicContact CB-CB 4.19Å; D847-E865 PolarHBondContact N-O 2.97Å; D847-E865 PolarHBondContact O-N 3.04Å
848	L	77	Confident	67.9	Low	7 Å²	7	73.1 Å²	73.1	4%	0.037	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	114	179.5	-171.4	150.6	0	0	0	109.8	K832 L835 E836 V845 V864	K832-L848 HydrophobicContact CD-CD2 4.32Å; K832-L848 VanDerWaalsContact CE-O 3.29Å; K832-L848 WeakPolarHBondContact CE-O 3.37Å; K832-L848 HydrophobicContact CG-CD2 3.56Å; L835-L848 HydrophobicContact CB-CD1 4.46Å; L835-L848 HydrophobicContact CD2-CD1 4.48Å; L835-L848 HydrophobicContact CD2-CD2 4.33Å; L835-L848 HydrophobicContact CG-CD1 4.2Å; E836-L848 HydrophobicContact CB-CD1 4.02Å; E836-L848 HydrophobicContact CG-CD1 4.18Å; V845-L848 HydrophobicContact CG1-CB 4.08Å; V845-L848 HydrophobicContact CG1-CD1 4.4Å; L848-V864 HydrophobicContact CD1-CG1 4.41Å; L848-V864 HydrophobicContact CD1-CG2 4.13Å; L848-V864 HydrophobicContact CG-CG2 4.19Å
849	R	76.1	Confident	67.5	Low	152 Å²	152	75.4 Å²	75.4	57%	0.574	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	100.8	-172.6	-178.5	-174.1	176.3	-174.1	0	110.8	A862 Y863	R849-A862 CarbonylContact O-C 3.57Å; R849-A862 WeakPolarHBondContact O-CA 3.39Å; R849-Y863 PolarHBondContact N-O 2.86Å; R849-Y863 PolarHBondContact O-N 3.42Å
850	L	77.2	Confident	67.4	Low	39 Å²	39	75.8 Å²	75.8	20%	0.204	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	133.6	170.3	-157.7	153.7	0	0	0	110	P858	L850-P858 HydrophobicContact CD2-CB 3.53Å
851	V	72.6	Confident	67.6	Low	35 Å²	35	72.6 Å²	72.6	21%	0.212	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	116.5	-177.4	-175.4	0	0	0	0	110.1	K859 L861 Y863	V851-K859 HydrophobicContact CG1-CB 4.49Å; V851-K859 VanDerWaalsContact O-CB 3.32Å; V851-K859 WeakPolarHBondContact O-CB 3.44Å; V851-K859 PolarHBondContact O-N 3.49Å; V851-L861 HydrophobicContact CB-CB 4.06Å; V851-L861 WeakPolarHBondContact CB-O 3.15Å; V851-L861 HydrophobicContact CG2-CB 4.03Å; V851-L861 PolarHBondContact N-O 2.8Å; V851-Y863 HydrophobicContact CG2-CD2 3.89Å; V851-Y863 HydrophobicContact CG2-CE2 3.78Å
852	T	64.7	Low	67.9	Low	78 Å²	78	69 Å²	69	48%	0.479	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	150.2	174.7	53.2	0	0	0	0	112	G856 K857	T852-G856 WeakPolarHBondContact CB-O 3.21Å; T852-G856 WeakPolarHBondContact CG2-O 3.46Å; T852-K857 CarbonylContact C-O 3.39Å; T852-K857 WeakPolarHBondContact CA-O 3.46Å
853	N	55	Low	68.6	Low	75 Å²	75	70.9 Å²	70.9	40%	0.401	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-80.8	173.8	178	-128.7	-10.6	0	0	0	110.6	A855 G856 K857 K859	N853-A855 PolarHBondContact O-N 3.43Å; N853-G856 PolarHBondContact O-N 2.95Å; N853-K857 PolarHBondContact N-O 3.38Å; N853-K859 HydrophobicContact CB-CD 4.48Å; N853-K859 WeakPolarHBondContact OD1-CD 3.35Å; N853-K859 WeakPolarHBondContact OD1-CE 3.48Å; N853-K859 PolarHBondContact OD1-NZ 3.48Å
854	R	46.3	Very low	69	Low	195 Å²	195	70.1 Å²	70.1	74%	0.736	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-34.2	-174.7	-170.6	174.5	178.2	-178	-2.5	113.9	R791	R791-R854 PolarHBondContact NH2-O 3.08Å; R791-R854 VanDerWaalsContact NH2-O 3.14Å
855	A	43.7	Very low	69.2	Low	94 Å²	94	68.2 Å²	68.2	78%	0.777	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	25.3	178.9	0	0	0	0	0	114.8	N853 K857	N853-A855 PolarHBondContact O-N 3.43Å; A855-K857 VanDerWaalsContact C-N 3.26Å; A855-K857 PolarHBondContact O-N 3.38Å
856	G	51.9	Low	69.4	Low	40 Å²	40	66.8 Å²	66.8	41%	0.412	34%	0.335	S	S	.	.	S	Bend	trans	80.5	-24.6	171.1	0	0	0	0	0	116.6	T852 N853	T852-G856 WeakPolarHBondContact CB-O 3.21Å; T852-G856 WeakPolarHBondContact CG2-O 3.46Å; N853-G856 PolarHBondContact O-N 2.95Å
857	K	61.5	Low	69.6	Low	167 Å²	167	65.3 Å²	65.3	73%	0.726	33%	0.33	S	S	*	.			trans	-57.6	142.2	174.3	-66	-169.3	177.1	-172.1	0	111.6	T852 N853 A855	T852-K857 CarbonylContact C-O 3.39Å; T852-K857 WeakPolarHBondContact CA-O 3.46Å; N853-K857 PolarHBondContact N-O 3.38Å; A855-K857 VanDerWaalsContact C-N 3.26Å; A855-K857 PolarHBondContact O-N 3.38Å
858	P	66.1	Low	69.9	Low	37 Å²	37	65.5 Å²	65.5	24%	0.24	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	151.7	176.2	27.9	-35.6	0	0	0	111.3	F828 L850	F828-P858 HydrophobicContact CB-CG 4.47Å; F828-P858 WeakPolarHBondContact CD1-O 3.43Å; F828-P858 WeakPolarHBondContact O-CG 3.38Å; L850-P858 HydrophobicContact CD2-CB 3.53Å
859	K	68.3	Low	69.9	Low	101 Å²	101	68.9 Å²	68.9	44%	0.439	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	12.7	-176.8	-153.5	173.3	-177.3	157.1	0	113.7	V851 N853 L861	V851-K859 HydrophobicContact CG1-CB 4.49Å; V851-K859 VanDerWaalsContact O-CB 3.32Å; V851-K859 WeakPolarHBondContact O-CB 3.44Å; V851-K859 PolarHBondContact O-N 3.49Å; N853-K859 HydrophobicContact CB-CD 4.48Å; N853-K859 WeakPolarHBondContact OD1-CD 3.35Å; N853-K859 WeakPolarHBondContact OD1-CE 3.48Å; N853-K859 PolarHBondContact OD1-NZ 3.48Å; K859-L861 PolarHBondContact O-N 3.42Å
860	G	69.9	Low	69.8	Low	8 Å²	8	65 Å²	65	8%	0.082	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68.2	16.5	-177.4	0	0	0	0	0	115.1	S824 G825 L826	S824-G860 CarbonylContact C-O 3.6Å; G825-G860 PolarHBondContact N-O 3.33Å; L826-G860 PolarHBondContact N-O 2.88Å; L826-G860 WeakPolarHBondContact O-CA 3.46Å
861	L	81.4	Confident	69.8	Low	50 Å²	50	65.1 Å²	65.1	26%	0.262	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.2	179	-52	177.5	0	0	0	110.2	F822 I823 S824 V851 K859	F822-L861 HydrophobicContact CE2-CB 4.17Å; F822-L861 HydrophobicContact CE2-CD1 4.23Å; F822-L861 HydrophobicContact CE2-CD2 4.12Å; F822-L861 HydrophobicContact CE2-CG 4.41Å; F822-L861 HydrophobicContact CZ-CD1 4.28Å; F822-L861 HydrophobicContact CZ-CD2 3.78Å; F822-L861 HydrophobicContact CZ-CG 4.46Å; I823-L861 CarbonylContact O-C 3.47Å; I823-L861 VanDerWaalsContact O-CA 3.31Å; I823-L861 WeakPolarHBondContact O-CA 3.3Å; S824-L861 VanDerWaalsContact CB-CD2 3.43Å; V851-L861 HydrophobicContact CB-CB 4.06Å; V851-L861 WeakPolarHBondContact CB-O 3.15Å; V851-L861 HydrophobicContact CG2-CB 4.03Å; V851-L861 PolarHBondContact N-O 2.8Å; K859-L861 PolarHBondContact O-N 3.42Å
862	A	80.2	Confident	69.9	Low	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.5	173.4	0	0	0	0	0	111.8	I823 L826 L835 R849	I823-A862 HydrophobicContact CB-CB 4.44Å; I823-A862 PolarHBondContact N-O 2.85Å; I823-A862 PolarHBondContact O-N 3.32Å; L826-A862 HydrophobicContact CD1-CB 3.7Å; L835-A862 HydrophobicContact CD2-CB 3.53Å; R849-A862 CarbonylContact O-C 3.57Å; R849-A862 WeakPolarHBondContact O-CA 3.39Å
863	Y	82.4	Confident	70.4	Confident	85 Å²	85	61.8 Å²	61.8	33%	0.333	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.2	169.7	-65.8	-93.5	0	0	0	109.6	L821 F822 R849 V851	L821-Y863 CarbonylContact O-C 3.58Å; L821-Y863 VanDerWaalsContact O-CA 3.26Å; L821-Y863 WeakPolarHBondContact O-CA 3.32Å; F822-Y863 HydrophobicContact CB-CD1 4.27Å; F822-Y863 HydrophobicContact CB-CE1 4.09Å; F822-Y863 HydrophobicContact CD2-CD1 4.16Å; F822-Y863 AromaticContact CD2-CE1 3.6Å; F822-Y863 HydrophobicContact CD2-CE1 3.6Å; F822-Y863 HydrophobicContact CD2-CE2 4.09Å; F822-Y863 AromaticContact CD2-CZ 3.55Å; F822-Y863 HydrophobicContact CE2-CE1 4.47Å; F822-Y863 HydrophobicContact CE2-CE2 4.37Å; F822-Y863 AromaticContact CE2-CZ 3.99Å; F822-Y863 HydrophobicContact CG-CE1 4.25Å; R849-Y863 PolarHBondContact N-O 2.86Å; R849-Y863 PolarHBondContact O-N 3.42Å; V851-Y863 HydrophobicContact CG2-CD2 3.89Å; V851-Y863 HydrophobicContact CG2-CE2 3.78Å
864	V	81.8	Confident	71.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.1	-178.3	-171.3	0	0	0	0	109	K820 L821 I823 C839 V845 L848 Y866	K820-V864 CarbonylContact C-O 3.49Å; K820-V864 VanDerWaalsContact CA-O 3.29Å; K820-V864 WeakPolarHBondContact CA-O 3.29Å; L821-V864 PolarHBondContact N-O 3.14Å; L821-V864 PolarHBondContact O-N 2.68Å; I823-V864 HydrophobicContact CD1-CG2 3.68Å; I823-V864 HydrophobicContact CG1-CG2 4.35Å; C839-V864 HydrophobicContact CB-CG1 4.31Å; V845-V864 HydrophobicContact CG1-CG1 3.83Å; V845-V864 HydrophobicContact CG2-CG1 4.14Å; L848-V864 HydrophobicContact CD1-CG1 4.41Å; L848-V864 HydrophobicContact CD1-CG2 4.13Å; L848-V864 HydrophobicContact CG-CG2 4.19Å; V864-Y866 HydrophobicContact CB-CE2 4.17Å; V864-Y866 HydrophobicContact CG1-CD2 4.06Å; V864-Y866 HydrophobicContact CG1-CE2 3.61Å
865	E	80.8	Confident	72.9	Confident	28 Å²	28	54.1 Å²	54.1	13%	0.131	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.2	172.2	-174	174.3	152.2	0	0	109	K820 K846 D847	K820-E865 HydrophobicContact CD-CB 4.36Å; K820-E865 HydrophobicContact CD-CG 4.47Å; K820-E865 WeakPolarHBondContact CE-OE2 3.49Å; K820-E865 HydrophobicContact CG-CB 3.9Å; K820-E865 HydrophobicContact CG-CG 3.9Å; K820-E865 IonicContact NZ-OE2 3.6Å; K846-E865 HydrophobicContact CB-CG 4.43Å; K846-E865 WeakPolarHBondContact CB-O 3.26Å; K846-E865 HydrophobicContact CD-CG 4.35Å; K846-E865 WeakPolarHBondContact CD-OE1 3.36Å; K846-E865 VanDerWaalsContact CE-OE1 3.3Å; K846-E865 WeakPolarHBondContact CE-OE1 3.17Å; K846-E865 PolarHBondContact N-O 3.04Å; K846-E865 IonicContact NZ-OE1 2.96Å; K846-E865 PolarHBondContact NZ-OE1 3.26Å; D847-E865 HydrophobicContact CB-CB 4.19Å; D847-E865 PolarHBondContact N-O 2.97Å; D847-E865 PolarHBondContact O-N 3.04Å
866	Y	80.6	Confident	74.6	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.008	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	155.5	172	-74.6	-88	0	0	0	110.8	H819 L821 C839 T844 V845 V864 N868 Q871 A872 A875	H819-Y866 PolarHBondContact O-N 2.75Å; L821-Y866 HydrophobicContact CD1-CD2 4.24Å; L821-Y866 HydrophobicContact CD1-CE2 3.75Å; L821-Y866 HydrophobicContact CG-CD2 4.27Å; L821-Y866 HydrophobicContact CG-CE2 4.18Å; C839-Y866 WeakPolarHBondContact CA-OH 3.34Å; C839-Y866 VanDerWaalsContact CB-OH 3.28Å; C839-Y866 WeakPolarHBondContact CB-OH 3.26Å; C839-Y866 PolarHBondContact O-OH 3.45Å; T844-Y866 WeakPolarHBondContact O-CA 3.4Å; V845-Y866 HydrophobicContact CG2-CD1 4.31Å; V845-Y866 HydrophobicContact CG2-CE1 3.82Å; V864-Y866 HydrophobicContact CB-CE2 4.17Å; V864-Y866 HydrophobicContact CG1-CD2 4.06Å; V864-Y866 HydrophobicContact CG1-CE2 3.61Å; Y866-N868 VanDerWaalsContact C-N 3.3Å; Y866-N868 PolarHBondContact O-N 3.48Å; Y866-Q871 HydrophobicContact CD1-CB 4.28Å; Y866-A872 HydrophobicContact CD2-CB 4.24Å; Y866-A875 HydrophobicContact CE2-CB 4.08Å
867	E	76.5	Confident	75.7	Confident	111 Å²	111	57.1 Å²	57.1	52%	0.519	29%	0.285	S	S	.	.	S	Bend	trans	-65.6	-30.3	178.3	-170.8	171.8	-144.3	0	0	113.2	T844	T844-E867 VanDerWaalsContact CB-OE2 3.22Å; T844-E867 WeakPolarHBondContact CB-OE2 3.38Å; T844-E867 HydrophobicContact CG2-CB 4.44Å; T844-E867 WeakPolarHBondContact CG2-OE2 3.45Å; T844-E867 PolarHBondContact O-N 2.89Å; T844-E867 PolarHBondContact OG1-OE2 3.46Å
868	N	74.9	Confident	76.3	Confident	71 Å²	71	54.9 Å²	54.9	38%	0.38	28%	0.276	S	S	.	.			trans	-130.7	142.1	-174.8	-72.2	-79.2	0	0	0	113.3	Y866 S870 Q871 A872	Y866-N868 VanDerWaalsContact C-N 3.3Å; Y866-N868 PolarHBondContact O-N 3.48Å; N868-S870 VanDerWaalsContact C-N 3.26Å; N868-S870 PolarHBondContact O-N 3.23Å; N868-Q871 HydrophobicContact CB-CB 4.33Å; N868-Q871 HydrophobicContact CB-CG 4.06Å; N868-Q871 PolarHBondContact O-N 2.89Å; N868-Q871 VanDerWaalsContact O-N 3.15Å; N868-A872 PolarHBondContact O-N 2.84Å; N868-A872 VanDerWaalsContact O-N 3.11Å
869	E	75.4	Confident	76.5	Confident	78 Å²	78	53.1 Å²	53.1	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-36.5	177.1	-177	176.1	151.4	0	0	111.8	K818 H819 S873	K818-E869 HydrophobicContact CB-CG 4.02Å; K818-E869 HydrophobicContact CD-CG 4.11Å; K818-E869 WeakPolarHBondContact CD-OE1 3.16Å; K818-E869 VanDerWaalsContact CD-OE2 3.27Å; K818-E869 WeakPolarHBondContact CD-OE2 3.32Å; K818-E869 VanDerWaalsContact NZ-CD 3.35Å; K818-E869 IonicContact NZ-OE1 3.48Å; K818-E869 PolarHBondContact NZ-OE1 3.37Å; K818-E869 IonicContact NZ-OE2 3.9Å; K818-E869 PolarHBondContact NZ-OE2 2.93Å; H819-E869 PolarHBondContact ND1-N 3.42Å; E869-S873 WeakPolarHBondContact O-CB 3.19Å; E869-S873 PolarHBondContact O-N 3.14Å; E869-S873 PolarHBondContact O-OG 3.45Å
870	S	74.4	Confident	76.9	Confident	70 Å²	70	52.7 Å²	52.7	49%	0.49	27%	0.267	S	S	.	.	H	α-helix	trans	-65.7	-38.8	175.7	51.3	0	0	0	0	113.4	N868 S873 Q874	N868-S870 VanDerWaalsContact C-N 3.26Å; N868-S870 PolarHBondContact O-N 3.23Å; S870-S873 PolarHBondContact O-N 3.44Å; S870-Q874 WeakPolarHBondContact O-CB 3.34Å; S870-Q874 VanDerWaalsContact O-CG 3.3Å; S870-Q874 WeakPolarHBondContact O-CG 3.38Å; S870-Q874 PolarHBondContact O-N 2.96Å
871	Q	76.9	Confident	76.9	Confident	42 Å²	42	54.6 Å²	54.6	20%	0.196	29%	0.286	C	S	.	.	H	α-helix	trans	-67.9	-45.9	175.9	-70	175.7	-3.8	0	0	110.9	Y866 N868 S873 Q874 A875	Y866-Q871 HydrophobicContact CD1-CB 4.28Å; N868-Q871 HydrophobicContact CB-CB 4.33Å; N868-Q871 HydrophobicContact CB-CG 4.06Å; N868-Q871 PolarHBondContact O-N 2.89Å; N868-Q871 VanDerWaalsContact O-N 3.15Å; Q871-S873 VanDerWaalsContact C-N 3.28Å; Q871-S873 PolarHBondContact O-N 2.9Å; Q871-Q874 PolarHBondContact O-N 3Å; Q871-A875 WeakPolarHBondContact O-CB 3.28Å; Q871-A875 PolarHBondContact O-N 2.81Å
872	A	75.1	Confident	76.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.3	-43.8	174.1	0	0	0	0	0	111.5	L821 Y866 N868 A875 V876	L821-A872 WeakPolarHBondContact CD1-O 3.33Å; L821-A872 HydrophobicContact CD2-CB 3.92Å; L821-A872 HydrophobicContact CG-CB 4.26Å; Y866-A872 HydrophobicContact CD2-CB 4.24Å; N868-A872 PolarHBondContact O-N 2.84Å; N868-A872 VanDerWaalsContact O-N 3.11Å; A872-A875 PolarHBondContact O-N 3.42Å; A872-V876 WeakPolarHBondContact O-CG2 3.49Å; A872-V876 PolarHBondContact O-N 3.28Å; A872-V876 VanDerWaalsContact O-N 3.09Å
873	S	76.3	Confident	76.2	Confident	43 Å²	43	60.8 Å²	60.8	30%	0.301	32%	0.321	S	S	.	.	H	α-helix	trans	-66.7	-40.3	178.7	-55.2	0	0	0	0	112.7	E869 S870 Q871 V876 M877	E869-S873 WeakPolarHBondContact O-CB 3.19Å; E869-S873 PolarHBondContact O-N 3.14Å; E869-S873 PolarHBondContact O-OG 3.45Å; S870-S873 PolarHBondContact O-N 3.44Å; Q871-S873 VanDerWaalsContact C-N 3.28Å; Q871-S873 PolarHBondContact O-N 2.9Å; S873-V876 PolarHBondContact O-N 3.14Å; S873-M877 WeakPolarHBondContact O-CG 3.38Å; S873-M877 PolarHBondContact O-N 3.1Å
874	Q	75.8	Confident	75.7	Confident	109 Å²	109	57.7 Å²	57.7	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-69.2	-33.7	176.1	-74.9	179	14.5	0	0	113.1	S870 Q871 K878	S870-Q874 WeakPolarHBondContact O-CB 3.34Å; S870-Q874 VanDerWaalsContact O-CG 3.3Å; S870-Q874 WeakPolarHBondContact O-CG 3.38Å; S870-Q874 PolarHBondContact O-N 2.96Å; Q871-Q874 PolarHBondContact O-N 3Å; Q874-K878 WeakPolarHBondContact O-CG 3.39Å; Q874-K878 PolarHBondContact O-N 3.04Å
875	A	76.4	Confident	74.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66.9	-42.9	173.8	0	0	0	0	0	111.5	L821 H842 Y866 Q871 A872 M877 K878 M879	L821-A875 HydrophobicContact CD1-CB 3.71Å; H842-A875 HydrophobicContact CB-CB 4Å; Y866-A875 HydrophobicContact CE2-CB 4.08Å; Q871-A875 WeakPolarHBondContact O-CB 3.28Å; Q871-A875 PolarHBondContact O-N 2.81Å; A872-A875 PolarHBondContact O-N 3.42Å; A875-M877 PolarHBondContact O-N 2.87Å; A875-K878 PolarHBondContact O-N 3.2Å; A875-M879 HydrophobicContact CB-SD 4.04Å; A875-M879 VanDerWaalsContact O-CB 3.25Å; A875-M879 WeakPolarHBondContact O-CB 3.37Å; A875-M879 WeakPolarHBondContact O-CG 3.44Å; A875-M879 PolarHBondContact O-N 3.45Å
876	V	80.4	Confident	73.7	Confident	33 Å²	33	70.4 Å²	70.4	20%	0.2	37%	0.368	C	S	.	.	H	α-helix	trans	-54	-53.7	171.6	168.5	0	0	0	0	111	L821 A872 S873 K878 D880 V891 I893	L821-V876 HydrophobicContact CD1-CG2 3.92Å; L821-V876 HydrophobicContact CD2-CG2 3.45Å; L821-V876 VanDerWaalsContact CD2-CG2 3.45Å; L821-V876 HydrophobicContact CG-CG2 4.3Å; A872-V876 WeakPolarHBondContact O-CG2 3.49Å; A872-V876 PolarHBondContact O-N 3.28Å; A872-V876 VanDerWaalsContact O-N 3.09Å; S873-V876 PolarHBondContact O-N 3.14Å; V876-K878 PolarHBondContact O-N 3.43Å; V876-D880 WeakPolarHBondContact O-CB 3.32Å; V876-D880 PolarHBondContact O-N 3.01Å; V876-V891 HydrophobicContact CG2-CG1 4.16Å; V876-I893 HydrophobicContact CG2-CG1 4.06Å
877	M	75.3	Confident	73.1	Confident	164 Å²	164	73.5 Å²	73.5	81%	0.808	39%	0.385	S	S	*	.	H	α-helix	trans	-64.7	-8.7	-176.6	-68.3	-175.8	73.2	0	0	115.3	S873 A875	S873-M877 WeakPolarHBondContact O-CG 3.38Å; S873-M877 PolarHBondContact O-N 3.1Å; A875-M877 PolarHBondContact O-N 2.87Å
878	K	73.1	Confident	73.1	Confident	121 Å²	121	72.1 Å²	72.1	53%	0.526	38%	0.384	S	S	.	.	H	α-helix	trans	-122.5	-25.7	-176.8	-69.5	-177.9	178	-179.8	0	114.4	Q874 A875 V876 M882	Q874-K878 WeakPolarHBondContact O-CG 3.39Å; Q874-K878 PolarHBondContact O-N 3.04Å; A875-K878 PolarHBondContact O-N 3.2Å; V876-K878 PolarHBondContact O-N 3.43Å; K878-M882 WeakPolarHBondContact O-CE 3.45Å
879	M	69.9	Low	73.4	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-100.1	-22.5	-177.7	-60.9	178.9	65.2	0	0	113.2	I823 I838 H842 A875 G881 M882 I889 V891	I823-M879 HydrophobicContact CD1-CE 4.18Å; I838-M879 HydrophobicContact CG2-CE 3.82Å; H842-M879 VanDerWaalsContact CD2-CG 3.5Å; H842-M879 WeakPolarHBondContact CD2-CG 3.27Å; A875-M879 HydrophobicContact CB-SD 4.04Å; A875-M879 VanDerWaalsContact O-CB 3.25Å; A875-M879 WeakPolarHBondContact O-CB 3.37Å; A875-M879 WeakPolarHBondContact O-CG 3.44Å; A875-M879 PolarHBondContact O-N 3.45Å; M879-G881 PolarHBondContact O-N 3.37Å; M879-M882 PolarHBondContact O-N 2.86Å; M879-I889 HydrophobicContact CB-CD1 4.42Å; M879-I889 HydrophobicContact CE-CD1 4.29Å; M879-I889 WeakPolarHBondContact O-CG1 3.49Å; M879-V891 HydrophobicContact CB-CB 4.38Å; M879-V891 HydrophobicContact CB-CG2 3.77Å
880	D	77.3	Confident	73.6	Confident	92 Å²	92	71.7 Å²	71.7	49%	0.492	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	121.8	175.1	-164.6	50.8	0	0	0	109.8	V876 K890 V891	V876-D880 WeakPolarHBondContact O-CB 3.32Å; V876-D880 PolarHBondContact O-N 3.01Å; D880-K890 WeakPolarHBondContact OD1-CA 3.4Å; D880-V891 HydrophobicContact CB-CB 4.29Å; D880-V891 PolarHBondContact OD1-N 3.46Å
881	G	70.1	Confident	73.8	Confident	47 Å²	47	68.5 Å²	68.5	49%	0.485	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	1.8	-175.6	0	0	0	0	0	116.2	M879 I889	M879-G881 PolarHBondContact O-N 3.37Å; G881-I889 PolarHBondContact N-O 3.22Å
882	M	75.1	Confident	73.9	Confident	82 Å²	82	68.8 Å²	68.8	40%	0.404	37%	0.365	S	S	.	.			trans	-70.1	142.3	173.5	-81.3	-169.2	164.2	0	0	112.5	K878 M879 V888 I889	K878-M882 WeakPolarHBondContact O-CE 3.45Å; M879-M882 PolarHBondContact O-N 2.86Å; M882-V888 WeakPolarHBondContact O-CA 3.36Å; M882-I889 HydrophobicContact CB-CD1 4.45Å; M882-I889 HydrophobicContact CB-CG1 4.14Å; M882-I889 WeakPolarHBondContact O-CG1 3.2Å; M882-I889 PolarHBondContact O-N 3.27Å
883	T	71.5	Confident	74.1	Confident	98 Å²	98	72 Å²	72	60%	0.601	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	116.4	175.5	-33.3	0	0	0	0	111.1	N887 V888	T883-N887 CarbonylContact C-O 3.32Å; T883-N887 WeakPolarHBondContact CA-O 3.16Å; T883-V888 HydrophobicContact CG2-CG2 4.25Å
884	I	71.7	Confident	73.4	Confident	20 Å²	20	70.4 Å²	70.4	10%	0.103	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.1	175.2	-59.4	177.8	0	0	0	108.4	L826 P827 I838 E886 N887 I889	L826-I884 HydrophobicContact CD2-CD1 4.32Å; P827-I884 HydrophobicContact CG-CG2 4.23Å; I838-I884 HydrophobicContact CD1-CD1 3.87Å; I884-E886 PolarHBondContact O-N 2.91Å; I884-N887 PolarHBondContact N-O 3.32Å; I884-N887 PolarHBondContact O-N 3.16Å; I884-N887 VanDerWaalsContact O-N 3.12Å; I884-I889 HydrophobicContact CD1-CD1 3.93Å; I884-I889 HydrophobicContact CD1-CG1 4.43Å; I884-I889 HydrophobicContact CD1-CG2 4.08Å; I884-I889 HydrophobicContact CG1-CG2 4.43Å
885	K	57.9	Low	72.8	Confident	107 Å²	107	71.1 Å²	71.1	47%	0.465	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	64	177.2	-59	172.1	179.6	172.6	0	111.2	P827 E834 N887	P827-K885 HydrophobicContact CG-CB 4.21Å; E834-K885 IonicContact OE1-NZ 2.62Å; E834-K885 PolarHBondContact OE1-NZ 2.86Å; E834-K885 IonicContact OE2-NZ 3.24Å; E834-K885 PolarHBondContact OE2-NZ 3.11Å; K885-N887 PolarHBondContact O-N 2.85Å; K885-N887 VanDerWaalsContact O-N 3.11Å
886	E	62.6	Low	71.6	Confident	189 Å²	189	74.3 Å²	74.3	88%	0.883	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	-16.9	-179.6	-57.6	172.8	168.6	0	0	116.7	I884	I884-E886 PolarHBondContact O-N 2.91Å
887	N	68.1	Low	69.8	Low	67 Å²	67	78.8 Å²	78.8	36%	0.358	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.5	177.2	-81.4	19.1	0	0	0	113.4	G825 P827 T883 I884 K885	G825-N887 VanDerWaalsContact O-CB 3.31Å; G825-N887 WeakPolarHBondContact O-CB 3.23Å; G825-N887 PolarHBondContact O-ND2 2.85Å; P827-N887 HydrophobicContact CB-CB 4.34Å; T883-N887 CarbonylContact C-O 3.32Å; T883-N887 WeakPolarHBondContact CA-O 3.16Å; I884-N887 PolarHBondContact N-O 3.32Å; I884-N887 PolarHBondContact O-N 3.16Å; I884-N887 VanDerWaalsContact O-N 3.12Å; K885-N887 PolarHBondContact O-N 2.85Å; K885-N887 VanDerWaalsContact O-N 3.11Å
888	V	77.4	Confident	68.3	Low	81 Å²	81	79.7 Å²	79.7	49%	0.491	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	122	168.2	-179.2	0	0	0	0	110.2	M882 T883	M882-V888 WeakPolarHBondContact O-CA 3.36Å; T883-V888 HydrophobicContact CG2-CG2 4.25Å
889	I	81.6	Confident	66.3	Low	0 Å²	0	85.2 Å²	85.2	0%	0	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-86.3	147.4	175.8	63.8	161.7	0	0	0	112	I823 S824 L826 M879 G881 M882 I884 V891	I823-I889 HydrophobicContact CG2-CB 4.38Å; I823-I889 HydrophobicContact CG2-CD1 4.27Å; S824-I889 CarbonylContact O-C 3.59Å; S824-I889 WeakPolarHBondContact O-CA 3.42Å; L826-I889 HydrophobicContact CD2-CG2 3.82Å; L826-I889 HydrophobicContact CG-CG2 4.19Å; M879-I889 HydrophobicContact CB-CD1 4.42Å; M879-I889 HydrophobicContact CE-CD1 4.29Å; M879-I889 WeakPolarHBondContact O-CG1 3.49Å; G881-I889 PolarHBondContact N-O 3.22Å; M882-I889 HydrophobicContact CB-CD1 4.45Å; M882-I889 HydrophobicContact CB-CG1 4.14Å; M882-I889 WeakPolarHBondContact O-CG1 3.2Å; M882-I889 PolarHBondContact O-N 3.27Å; I884-I889 HydrophobicContact CD1-CD1 3.93Å; I884-I889 HydrophobicContact CD1-CG1 4.43Å; I884-I889 HydrophobicContact CD1-CG2 4.08Å; I884-I889 HydrophobicContact CG1-CG2 4.43Å; I889-V891 HydrophobicContact CD1-CG2 3.85Å; I889-V891 HydrophobicContact CG1-CG2 4.37Å
890	K	77.7	Confident	64.5	Low	141 Å²	141	95.1 Å²	95.1	61%	0.613	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	131	170.1	-64.7	-174	179.7	-174.4	0	110.7	I823 S824 D880	I823-K890 CarbonylContact C-O 3.38Å; I823-K890 WeakPolarHBondContact CA-O 3.31Å; S824-K890 PolarHBondContact N-O 3.14Å; S824-K890 PolarHBondContact O-N 3.44Å; S824-K890 PolarHBondContact OG-O 2.9Å; D880-K890 WeakPolarHBondContact OD1-CA 3.4Å
891	V	79.8	Confident	62.4	Low	2 Å²	2	97 Å²	97	1%	0.012	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	109.7	-170.3	-175.3	0	0	0	0	110.1	L821 I823 V876 M879 D880 I889	L821-V891 HydrophobicContact CB-CG1 4.26Å; L821-V891 HydrophobicContact CD1-CG1 3.75Å; I823-V891 HydrophobicContact CG1-CG1 4.17Å; I823-V891 HydrophobicContact CG1-CG2 4.12Å; I823-V891 HydrophobicContact CG2-CG2 4.21Å; V876-V891 HydrophobicContact CG2-CG1 4.16Å; M879-V891 HydrophobicContact CB-CB 4.38Å; M879-V891 HydrophobicContact CB-CG2 3.77Å; D880-V891 HydrophobicContact CB-CB 4.29Å; D880-V891 PolarHBondContact OD1-N 3.46Å; I889-V891 HydrophobicContact CD1-CG2 3.85Å; I889-V891 HydrophobicContact CG1-CG2 4.37Å
892	A	78.9	Confident	60.9	Low	49 Å²	49	100.3 Å²	100.3	41%	0.405	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	160.2	-178.1	0	0	0	0	0	112	L821 F822	L821-A892 CarbonylContact C-O 3.59Å; L821-A892 WeakPolarHBondContact CA-O 3.35Å; F822-A892 PolarHBondContact N-O 2.7Å; F822-A892 PolarHBondContact O-N 3.04Å
893	I	78.4	Confident	58.6	Low	67 Å²	67	106 Å²	106	34%	0.344	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	137.7	170.5	-59.4	-179.8	0	0	0	109.4	L821 V876 N895	L821-I893 HydrophobicContact CD2-CG1 4.02Å; V876-I893 HydrophobicContact CG2-CG1 4.06Å; I893-N895 PolarHBondContact O-N 2.85Å; I893-N895 VanDerWaalsContact O-N 3.08Å
894	S	63	Low	56.6	Low	9 Å²	9	111 Å²	111	6%	0.063	56%	0.557	C	S	.	*			trans	-67	104.7	-173.6	-174.3	0	0	0	0	112.9	K820	K820-S894 VanDerWaalsContact O-CB 3.28Å; K820-S894 WeakPolarHBondContact O-CB 3.46Å; K820-S894 PolarHBondContact O-N 2.82Å
895	N	62.5	Low	55.3	Low	124 Å²	124	115.2 Å²	115.2	66%	0.663	59%	0.586	S	S	*	*			trans	-120.7	87.3	175.8	-170.9	20	0	0	0	111.2	L816 I893	L816-N895 HydrophobicContact CD1-CB 3.65Å; I893-N895 PolarHBondContact O-N 2.85Å; I893-N895 VanDerWaalsContact O-N 3.08Å
896	P	51.6	Low	53.9	Low	67 Å²	67	119.2 Å²	119.2	44%	0.435	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-73.5	132.1	-177.4	28.6	-33.7	0	0	0	112
897	P	42.8	Very low	52.3	Low	127 Å²	127	115.2 Å²	115.2	83%	0.825	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-66.6	141	-178.1	26.8	-34.6	0	0	0	112.3
898	Q	44.4	Very low	50.3	Low	184 Å²	184	123 Å²	123	86%	0.86	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-70.7	139.8	-179.7	-65.6	-172.5	0.7	0	0	112
899	R	30.4	Very low	47.8	Very low	236 Å²	236	128.8 Å²	128.8	89%	0.891	64%	0.638	S	S	*	*			trans	-88.8	110.6	-177.8	-170.7	178.6	-172.5	175.7	3.3	110.2	V901	R899-V901 PolarHBondContact O-N 3.49Å
900	K	31.6	Very low	45.4	Very low	208 Å²	208	133.1 Å²	133.1	90%	0.904	67%	0.673	S	S	*	*			trans	-53.1	133.9	176.7	-66.9	-178.8	178	-179.6	0	111.2
901	V	32.9	Very low	43.1	Very low	131 Å²	131	132.4 Å²	132.4	79%	0.794	68%	0.683	S	S	*	*			trans	-124	135.1	171.3	179.5	0	0	0	0	107.2	R899	R899-V901 PolarHBondContact O-N 3.49Å
902	P	39.1	Very low	40.6	Very low	118 Å²	118	136.3 Å²	136.3	77%	0.766	72%	0.723	S	S	*	*			trans	-95.7	124.7	-175.1	34.2	-30.9	0	0	0	112.9
903	E	27.8	Very low	38.2	Very low	202 Å²	202	137.4 Å²	137.4	94%	0.944	74%	0.739	S	S	*	*			trans	-156.4	176	152.5	-134.7	162.8	-145.6	0	0	112.9
904	K	27.6	Very low	35.9	Very low	201 Å²	201	140.7 Å²	140.7	87%	0.874	77%	0.765	S	S	*	*			trans	-109.7	175.7	-168.1	-104.9	-164.8	170.3	178.7	0	112.5
905	P	45.8	Very low	34.2	Very low	110 Å²	110	148.7 Å²	148.7	71%	0.714	80%	0.804	S	S	*	*			trans	-107.8	161.7	-140	40.6	-37.7	0	0	0	116.2
906	E	27.8	Very low	32.4	Very low	190 Å²	190	150.3 Å²	150.3	89%	0.888	81%	0.812	S	S	*	*			trans	-154.9	-172.3	132.3	-122.3	175.9	-146	0	0	112.3
907	T	28.4	Very low	31.3	Very low	105 Å²	105	155 Å²	155	64%	0.644	83%	0.832	S	S	*	*			trans	-114	150.7	-138.5	66.9	0	0	0	0	119.5
908	R	26.5	Very low	30.6	Very low	232 Å²	232	154.8 Å²	154.8	88%	0.875	83%	0.831	S	S	*	*			trans	71.7	149.9	157.8	-65.9	153.8	177.4	-174.2	-1	115.6
909	K	24.5	Very low	29.6	Very low	202 Å²	202	153.6 Å²	153.6	88%	0.878	83%	0.825	S	S	*	*			cis	-148.9	160.9	14.8	-142.8	173.9	-174.9	-177.8	0	110.7
910	A	31.3	Very low	29.3	Very low	90 Å²	90	148.9 Å²	148.9	74%	0.744	82%	0.823	S	S	*	*			trans	-83.8	170	-176.7	0	0	0	0	0	114.9
911	P	30.2	Very low	29.2	Very low	127 Å²	127	149.3 Å²	149.3	83%	0.825	82%	0.82	S	S	*	*				-123	162.9	119.9	36.4	-31.8	0	0	0	113.4
912	G	27.3	Very low	28.9	Very low	83 Å²	83	146.8 Å²	146.8	86%	0.856	82%	0.821	S	S	*	*			trans	-81.4	-171.9	-173.1	0	0	0	0	0	115.9
913	G	28.9	Very low	28.5	Very low	72 Å²	72	145.9 Å²	145.9	74%	0.742	82%	0.823	S	S	*	*			cis	-157.7	-175	7.9	0	0	0	0	0	113.4
914	P	28.9	Very low	28.5	Very low	136 Å²	136	148.1 Å²	148.1	88%	0.883	82%	0.823	S	S	*	*			trans	-85.1	151.3	-161.3	33.3	-36.5	0	0	0	114.8
915	M	27.3	Very low	28.7	Very low	178 Å²	178	142.1 Å²	142.1	88%	0.877	82%	0.818	S	S	*	*			trans	-136.2	93.5	169.2	-165.7	168.1	-171.2	0	0	111.8
916	L	26	Very low	28.6	Very low	158 Å²	158	146.4 Å²	146.4	83%	0.827	83%	0.825	S	S	*	*			trans	37.5	113.8	145.7	-57.4	170.8	0	0	0	119.3
917	L	26.9	Very low	28.6	Very low	165 Å²	165	141.6 Å²	141.6	86%	0.864	83%	0.827	S	S	*	*			trans	-83.5	167	151	-106.9	77.3	0	0	0	111
918	P	28.4	Very low	29.1	Very low	123 Å²	123	144.2 Å²	144.2	80%	0.799	83%	0.825	S	S	*	*			trans	-59.2	146.4	-170.2	-28	36.5	0	0	0	116.4
919	Q	24.2	Very low	29.7	Very low	159 Å²	159	136.5 Å²	136.5	74%	0.743	80%	0.803	S	S	*	*			trans	-87.8	106.4	-174.9	179.3	177.5	-10.8	0	0	111.9
920	T	24.8	Very low	30.4	Very low	136 Å²	136	136.3 Å²	136.3	83%	0.834	81%	0.806	S	S	*	*			trans	-73.6	138.3	157.1	43.6	0	0	0	0	109.7
921	Y	28.7	Very low	30.6	Very low	218 Å²	218	137.8 Å²	137.8	86%	0.855	80%	0.801	S	S	*	*			trans	-81	137.8	177.4	-88.4	-114.5	0	0	0	110.6
922	G	27.2	Very low	31	Very low	78 Å²	78	134.7 Å²	134.7	80%	0.804	78%	0.782	S	S	*	*			trans	154.2	67.4	166.9	0	0	0	0	0	116.8
923	A	29.7	Very low	32	Very low	98 Å²	98	132 Å²	132	81%	0.81	75%	0.747	S	S	*	*			trans	-87	138.7	161.9	0	0	0	0	0	110.3
924	R	27.9	Very low	32.5	Very low	250 Å²	250	131 Å²	131	94%	0.943	73%	0.725	S	S	*	*	S	Bend	trans	87.6	96.6	-177.1	-59.3	176.7	163.2	176	-5.5	117.3
925	G	31.7	Very low	33.2	Very low	75 Å²	75	125.6 Å²	125.6	77%	0.773	69%	0.69	S	S	*	*	S	Bend	trans	88.4	133	135.6	0	0	0	0	0	118.3
926	K	43.3	Very low	34.1	Very low	199 Å²	199	127.8 Å²	127.8	87%	0.865	69%	0.688	S	S	*	*			trans	64.5	64.9	169.7	-57.4	-174.8	179.2	-177.3	0	116.1	R928	K926-R928 PolarHBondContact O-N 2.86Å; K926-R928 VanDerWaalsContact O-N 3.08Å
927	G	29.2	Very low	34.9	Very low	89 Å²	89	124.4 Å²	124.4	92%	0.918	68%	0.683	S	S	*	*			trans	-77.1	66.9	155.5	0	0	0	0	0	111.6
928	R	38.9	Very low	35.6	Very low	161 Å²	161	119.9 Å²	119.9	61%	0.608	66%	0.659	S	S	*	*			trans	-69.8	153.4	170.9	-105.8	-171.8	176.3	174.7	-3.8	110.1	K926 Q930	K926-R928 PolarHBondContact O-N 2.86Å; K926-R928 VanDerWaalsContact O-N 3.08Å; R928-Q930 PolarHBondContact O-N 3.43Å
929	T	38.8	Very low	36.2	Very low	69 Å²	69	119 Å²	119	42%	0.423	64%	0.644	S	S	.	*			trans	-51	130.6	151	50.2	0	0	0	0	108.6	E233 L931	E233-T929 PolarHBondContact OE1-OG1 3.33Å; E233-T929 VanDerWaalsContact OE2-CG2 3.28Å; E233-T929 WeakPolarHBondContact OE2-CG2 3.44Å; E233-T929 PolarHBondContact OE2-OG1 2.91Å; T929-L931 PolarHBondContact O-N 2.85Å
930	Q	38.2	Very low	36.8	Very low	199 Å²	199	119.7 Å²	119.7	93%	0.93	64%	0.64	S	S	*	*	S	Bend	trans	-66.8	-0.8	-166.6	-75.4	-97.7	-3	0	0	114.4	R928	R928-Q930 PolarHBondContact O-N 3.43Å
931	L	36.7	Very low	37.1	Very low	121 Å²	121	119.3 Å²	119.3	63%	0.634	64%	0.64	S	S	*	*	S	Bend	trans	-125.2	126.8	175.9	-64.6	171.7	0	0	0	109.4	T929 L933	T929-L931 PolarHBondContact O-N 2.85Å; L931-L933 PolarHBondContact O-N 3.02Å
932	S	37.8	Very low	37	Very low	61 Å²	61	114.6 Å²	114.6	43%	0.427	64%	0.639	S	S	.	*			trans	-75.1	118.2	176	66.5	0	0	0	0	110.8	L934	S932-L934 PolarHBondContact O-N 3.48Å
933	L	48.1	Very low	37.1	Very low	26 Å²	26	115.2 Å²	115.2	14%	0.136	64%	0.636	C	S	.	*			trans	-67	8.5	176	-58.3	178.5	0	0	0	114.7	Q191 E233 L931 P935	Q191-L933 HydrophobicContact CG-CD2 4.07Å; E233-L933 HydrophobicContact CB-CD1 4.03Å; L931-L933 PolarHBondContact O-N 3.02Å; L933-P935 VanDerWaalsContact O-CD 3.25Å; L933-P935 WeakPolarHBondContact O-CD 3.34Å
934	L	39.9	Very low	37.1	Very low	53 Å²	53	115.3 Å²	115.3	28%	0.277	64%	0.638	S	S	.	*			trans	-69.3	114.5	173.5	-79.1	165.3	0	0	0	110.5	A237 S932	A237-L934 HydrophobicContact CB-CD2 4.01Å; A237-L934 HydrophobicContact CB-CG 4.44Å; S932-L934 PolarHBondContact O-N 3.48Å
935	P	43.6	Very low	37.1	Very low	21 Å²	21	107.6 Å²	107.6	14%	0.136	63%	0.627	C	S	.	*			trans	-62.5	139.1	177.9	-21.8	34.4	0	0	0	111.3	V194 I197 L933 A937 L938 Q939	V194-P935 HydrophobicContact CG1-CG 4.32Å; I197-P935 HydrophobicContact CD1-CG 3.84Å; L933-P935 VanDerWaalsContact O-CD 3.25Å; L933-P935 WeakPolarHBondContact O-CD 3.34Å; P935-A937 PolarHBondContact O-N 2.62Å; P935-L938 HydrophobicContact CB-CG 4.39Å; P935-L938 HydrophobicContact CG-CD1 4.09Å; P935-L938 HydrophobicContact CG-CG 4.41Å; P935-L938 PolarHBondContact O-N 2.79Å; P935-Q939 PolarHBondContact O-N 3.06Å
936	R	45.8	Very low	37.1	Very low	225 Å²	225	110.2 Å²	110.2	85%	0.849	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52	-30.7	173	-91.6	-177.2	171.9	171.6	-0.8	113.1	L938 Q939	R936-L938 VanDerWaalsContact C-N 3.29Å; R936-L938 PolarHBondContact O-N 2.93Å; R936-Q939 PolarHBondContact O-N 2.82Å
937	A	43.1	Very low	36.5	Very low	86 Å²	86	110 Å²	110	71%	0.711	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-18.5	176.4	0	0	0	0	0	114.6	P935	P935-A937 PolarHBondContact O-N 2.62Å
938	L	41.5	Very low	36.5	Very low	70 Å²	70	110.7 Å²	110.7	37%	0.366	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.4	-10.1	177	-61.3	-177.4	0	0	0	112.9	I238 A241 P935 R936 R940	I238-L938 HydrophobicContact CD1-CD1 3.77Å; A241-L938 HydrophobicContact CB-CB 4.3Å; A241-L938 HydrophobicContact CB-CD1 3.99Å; P935-L938 HydrophobicContact CB-CG 4.39Å; P935-L938 HydrophobicContact CG-CD1 4.09Å; P935-L938 HydrophobicContact CG-CG 4.41Å; P935-L938 PolarHBondContact O-N 2.79Å; R936-L938 VanDerWaalsContact C-N 3.29Å; R936-L938 PolarHBondContact O-N 2.93Å; L938-R940 PolarHBondContact O-N 3.35Å
939	Q	40.7	Very low	36.1	Very low	105 Å²	105	111.8 Å²	111.8	49%	0.491	64%	0.642	S	S	.	*			trans	-68.2	98.4	173.3	-71.3	-177.9	-17.5	0	0	110.8	P935 R936	P935-Q939 PolarHBondContact O-N 3.06Å; R936-Q939 PolarHBondContact O-N 2.82Å
940	R	36.4	Very low	35.6	Very low	173 Å²	173	116.8 Å²	116.8	65%	0.653	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-71.7	133.2	164.6	-59.1	-172.7	-166	172	12.6	108.8	L938 S942	L938-R940 PolarHBondContact O-N 3.35Å; R940-S942 PolarHBondContact O-N 3.22Å
941	P	31.2	Very low	35.1	Very low	128 Å²	128	110.7 Å²	110.7	83%	0.831	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-63.7	119.2	173	26.3	-32.9	0	0	0	109.3	A943	P941-A943 PolarHBondContact O-N 2.92Å
942	S	28.3	Very low	35.2	Very low	119 Å²	119	111.1 Å²	111.1	83%	0.832	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-73.3	120.7	-179.2	-168.8	0	0	0	0	110.4	R940	R940-S942 PolarHBondContact O-N 3.22Å
943	A	29.4	Very low	34.6	Very low	91 Å²	91	113.1 Å²	113.1	75%	0.752	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-70.2	129.4	168.8	0	0	0	0	0	109.2	P941 A945	P941-A943 PolarHBondContact O-N 2.92Å; A943-A945 PolarHBondContact O-N 3.28Å
944	A	29.1	Very low	33.6	Very low	101 Å²	101	117 Å²	117	84%	0.835	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-66.1	124.7	-178.4	0	0	0	0	0	111.3
945	A	27.7	Very low	33.2	Very low	88 Å²	88	118.9 Å²	118.9	73%	0.727	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-75.5	141.9	170.9	0	0	0	0	0	110.6	A943	A943-A945 PolarHBondContact O-N 3.28Å
946	P	31.3	Very low	33.1	Very low	129 Å²	129	124 Å²	124	84%	0.838	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-75.1	137.8	-177.3	30.3	-34.7	0	0	0	112
947	Q	30.3	Very low	32.2	Very low	195 Å²	195	117.6 Å²	117.6	91%	0.911	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-94.7	147.4	161.7	-73.9	-171.9	-29.6	0	0	110.2
948	A	30.1	Very low	31.6	Very low	104 Å²	104	120.3 Å²	120.3	86%	0.86	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-81.7	164.2	-175.5	0	0	0	0	0	113.3
949	E	29.4	Very low	30.9	Very low	183 Å²	183	121.3 Å²	121.3	86%	0.855	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-68.9	160.3	-167.8	-55.9	171.9	102.8	0	0	115.6
950	N	29.5	Very low	30.3	Very low	174 Å²	174	121.3 Å²	121.3	93%	0.93	82%	0.818	S	S	*	*				-169.1	117.3	128.3	-102.1	-66.1	0	0	0	110.9
951	G	28.3	Very low	29.9	Very low	72 Å²	72	118.9 Å²	118.9	74%	0.742	83%	0.827	S	S	*	*			trans	152.7	123.1	175.4	0	0	0	0	0	113.5
952	P	37	Very low	30	Very low	129 Å²	129	117.7 Å²	117.7	84%	0.838	83%	0.828	S	S	*	*			trans	-104.7	154.3	-161	38.3	-36.4	0	0	0	118
953	A	26.3	Very low	30	Very low	103 Å²	103	116 Å²	116	85%	0.851	82%	0.822	S	S	*	*			trans	71.2	98.4	143.6	0	0	0	0	0	121.7
954	A	27.4	Very low	30.2	Very low	107 Å²	107	118.3 Å²	118.3	88%	0.884	83%	0.827	S	S	*	*			trans	-155.1	160.6	136.6	0	0	0	0	0	110.4
955	A	30.7	Very low	30.5	Very low	93 Å²	93	122.9 Å²	122.9	77%	0.769	83%	0.831	S	S	*	*			trans	-150.7	-178.2	-176.1	0	0	0	0	0	110.7
956	P	41.5	Very low	30.8	Very low	129 Å²	129	123 Å²	123	84%	0.838	83%	0.832	S	S	*	*				-131.9	156.5	-61.4	37.6	-24.1	0	0	0	114.5
957	A	27.3	Very low	31.4	Very low	91 Å²	91	122.9 Å²	122.9	75%	0.752	83%	0.831	S	S	*	*			trans	-154.8	134.1	160.7	0	0	0	0	0	108.3
958	V	29.2	Very low	32.1	Very low	143 Å²	143	123.6 Å²	123.6	87%	0.867	83%	0.831	S	S	*	*				72.3	116.4	50.1	178.7	0	0	0	0	111.6
959	A	27.6	Very low	33.2	Very low	90 Å²	90	126.3 Å²	126.3	74%	0.744	83%	0.828	S	S	*	*			cis	-165.8	174.2	-7.2	0	0	0	0	0	112.3
960	A	27.5	Very low	34.8	Very low	105 Å²	105	120.4 Å²	120.4	87%	0.868	81%	0.807	S	S	*	*			trans	71	155.5	163	0	0	0	0	0	117.4
961	S	29.3	Very low	35.7	Very low	122 Å²	122	119.2 Å²	119.2	85%	0.853	80%	0.801	S	S	*	*			cis	-142	174.4	-2.7	62	0	0	0	0	111.2
962	A	32.1	Very low	37	Very low	103 Å²	103	118.8 Å²	118.8	85%	0.851	79%	0.79	S	S	*	*			trans	-126.2	137.1	177.7	0	0	0	0	0	112.5
963	A	29.9	Very low	38	Very low	85 Å²	85	115.8 Å²	115.8	70%	0.702	77%	0.767	S	S	*	*			trans	-159.4	96.4	168.9	0	0	0	0	0	109
964	T	32.8	Very low	39.2	Very low	139 Å²	139	117.1 Å²	117.1	85%	0.853	75%	0.754	S	S	*	*				70.9	119.2	104.6	56	0	0	0	0	116.4
965	E	35.4	Very low	40.4	Very low	197 Å²	197	115 Å²	115	92%	0.921	74%	0.737	S	S	*	*			trans	-65.6	157.8	171.6	-61.6	174.5	100.9	0	0	113.2
966	A	33.6	Very low	41.8	Very low	91 Å²	91	118 Å²	118	75%	0.752	73%	0.732	S	S	*	*			trans	-112	145.4	164.8	0	0	0	0	0	110.2
967	P	43.3	Very low	42.6	Very low	126 Å²	126	117.8 Å²	117.8	82%	0.818	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-78.2	152.2	-165.7	30.8	-36.5	0	0	0	114.3
968	K	46.2	Very low	43.6	Very low	210 Å²	210	122.3 Å²	122.3	91%	0.913	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-74.4	127.6	175.4	-63.4	172	-176.6	171.9	0	110.3
969	M	51.9	Low	44.8	Very low	161 Å²	161	122.6 Å²	122.6	79%	0.793	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-69.6	161.3	174.6	-75	-174.1	167.1	0	0	112.4	D973	M969-D973 HydrophobicContact CB-CB 4.41Å
970	S	64.8	Low	45.7	Very low	59 Å²	59	129.1 Å²	129.1	41%	0.413	73%	0.728	S	S	.	*	P	Polyproline II helix	trans	-93.8	161.8	-174.8	79.6	0	0	0	0	112.5	A972 D973	S970-A972 PolarHBondContact O-N 3.24Å; S970-A972 VanDerWaalsContact O-N 3.09Å; S970-A972 PolarHBondContact OG-N 3.2Å; S970-D973 WeakPolarHBondContact CB-OD2 3.41Å; S970-D973 PolarHBondContact N-OD2 2.87Å; S970-D973 WeakPolarHBondContact O-CB 3.35Å; S970-D973 PolarHBondContact O-N 3.45Å; S970-D973 PolarHBondContact OG-OD2 3.33Å
971	N	48.6	Very low	46.3	Very low	148 Å²	148	137.6 Å²	137.6	79%	0.791	75%	0.745	S	S	*	*	H	α-helix	trans	-61.6	-20	176.8	-66.5	0.4	0	0	0	113.2	D973 A975	N971-D973 VanDerWaalsContact C-N 3.27Å; N971-D973 PolarHBondContact O-N 3.23Å; N971-A975 PolarHBondContact O-N 3.42Å
972	A	55.6	Low	47.1	Very low	63 Å²	63	138.4 Å²	138.4	52%	0.521	74%	0.74	S	S	.	*	H	α-helix	trans	-71.3	-22.1	174.7	0	0	0	0	0	113.2	S970	S970-A972 PolarHBondContact O-N 3.24Å; S970-A972 VanDerWaalsContact O-N 3.09Å; S970-A972 PolarHBondContact OG-N 3.2Å
973	D	57	Low	47.9	Very low	66 Å²	66	140.3 Å²	140.3	35%	0.353	73%	0.734	S	S	.	*	H	α-helix	trans	-83	-39.7	177.3	-54.5	-62.3	0	0	0	110.5	M969 S970 N971 A975 K976	M969-D973 HydrophobicContact CB-CB 4.41Å; S970-D973 WeakPolarHBondContact CB-OD2 3.41Å; S970-D973 PolarHBondContact N-OD2 2.87Å; S970-D973 WeakPolarHBondContact O-CB 3.35Å; S970-D973 PolarHBondContact O-N 3.45Å; S970-D973 PolarHBondContact OG-OD2 3.33Å; N971-D973 VanDerWaalsContact C-N 3.27Å; N971-D973 PolarHBondContact O-N 3.23Å; D973-A975 VanDerWaalsContact C-N 3.3Å; D973-A975 PolarHBondContact O-N 3.3Å; D973-K976 PolarHBondContact O-N 3.17Å; D973-K976 VanDerWaalsContact O-N 3.17Å
974	F	52.2	Low	48.9	Very low	132 Å²	132	143.3 Å²	143.3	58%	0.579	74%	0.736	S	S	*	*	H	α-helix	trans	-58.1	-38.8	171.4	-106.5	-86.8	0	0	0	113	K976 L977	F974-K976 PolarHBondContact O-N 2.97Å; F974-K976 VanDerWaalsContact O-N 3.12Å; F974-L977 PolarHBondContact O-N 2.83Å; F974-L977 VanDerWaalsContact O-N 3.1Å
975	A	52.7	Low	49.9	Very low	63 Å²	63	143.6 Å²	143.6	52%	0.521	73%	0.729	S	S	.	*	H	α-helix	trans	-61.7	-19.4	178.6	0	0	0	0	0	114.2	N971 D973	N971-A975 PolarHBondContact O-N 3.42Å; D973-A975 VanDerWaalsContact C-N 3.3Å; D973-A975 PolarHBondContact O-N 3.3Å
976	K	59.8	Low	50.8	Low	154 Å²	154	140.3 Å²	140.3	67%	0.67	72%	0.717	S	S	*	*	H	α-helix	trans	-88.6	-16.3	177.1	-69.2	174	-177	163.4	0	113.9	D973 F974	D973-K976 PolarHBondContact O-N 3.17Å; D973-K976 VanDerWaalsContact O-N 3.17Å; F974-K976 PolarHBondContact O-N 2.97Å; F974-K976 VanDerWaalsContact O-N 3.12Å
977	L	57.1	Low	51.9	Low	126 Å²	126	143.5 Å²	143.5	66%	0.66	71%	0.714	S	S	*	*	H	α-helix	trans	-75	-36.8	177.7	-79.5	160	0	0	0	111.9	F974 L979	F974-L977 PolarHBondContact O-N 2.83Å; F974-L977 VanDerWaalsContact O-N 3.1Å; L977-L979 PolarHBondContact O-N 2.97Å; L977-L979 VanDerWaalsContact O-N 3.09Å
978	F	49.6	Very low	52.5	Low	186 Å²	186	144.8 Å²	144.8	82%	0.816	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	13.2	179.2	-87.9	-79.3	0	0	0	115.6
979	L	54	Low	53	Low	149 Å²	149	139.8 Å²	139.8	78%	0.78	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	26.4	177.9	-77.2	172.2	0	0	0	113.5	L977	L977-L979 PolarHBondContact O-N 2.97Å; L977-L979 VanDerWaalsContact O-N 3.09Å
980	R	47.1	Very low	53.1	Low	227 Å²	227	138 Å²	138	86%	0.857	68%	0.682	S	S	*	*			trans	-135.5	74.9	172.2	-76.5	-166.8	167.1	-171.4	-3.9	113.6
981	K	39.3	Very low	52.1	Low	283 Å²	283	145.2 Å²	145.2	100%	1.23	71%	0.707	S	S	*	*			trans	63.4	0	172.6	-70.5	-168.9	170.8	-170.3	0	114.8

Retrieved 981 of 981 residues in 2943.4 ms (Link to these results)

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