SNX1_MACFA Loading...

Sorting nexin-1

Involved in several stages of intracellular trafficking. Interacts with membranes containing phosphatidylinositol 3-phosphate (PtdIns(3P)) or phosphatidylinositol 3,5-bisphosphate (PtdIns(3,5)P2). Acts in part as component of the retromer membrane-deforming SNX-BAR subcomplex. The SNX-BAR retromer mediates retrograde transport of cargo proteins from endosomes to the trans-Golgi network (TGN) and is involved in endosome-to-plasma membrane transport for cargo protein recycling. The SNX-BAR subcomplex functions to deform the donor membrane into a tubular profile called endosome-to-TGN transport carrier (ETC). Can sense membrane curvature and has in vitro vesicle-to-membrane remodeling activity. Involved in retrograde endosome-to-TGN transport of lysosomal enzyme receptors (IGF2R, M6PR and SORT1). Plays a role in targeting ligand-activated EGFR to the lysosomes for degradation after endocytosis from the cell surface and release from the Golgi. Involvement in retromer-independent endocytic trafficking of P2RY1 and lysosomal degradation of protease-activated receptor-1/F2R. Promotes KALRN- and RHOG-dependent but retromer-independent membrane remodeling such as lamellipodium formation; the function is dependent on GEF activity of KALRN. Required for endocytosis of DRD5 upon agonist stimulation but not for basal receptor trafficking (By similarity).

AlphaFold DB , UniProt , Accession Q4R503, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene SNX1, Length 522 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	34.8	Very low	250 Å²	250	112.5 Å²	112.5	100%	1.232	85%	0.854	S	S	*	*				0	148.4	0	-69.5	167.5	173.7	0	0	107.5
2	A	39.9	Very low	34.9	Very low	96 Å²	96	118.4 Å²	118.4	79%	0.793	85%	0.854	S	S	*	*			trans	-80.8	162.4	-179.4	0	0	0	0	0	110.6
3	S	37.7	Very low	34.8	Very low	122 Å²	122	127.8 Å²	127.8	85%	0.853	86%	0.858	S	S	*	*			cis	-141.6	173.4	5.3	-62.6	0	0	0	0	108
4	G	32.6	Very low	34.8	Very low	78 Å²	78	130.7 Å²	130.7	80%	0.804	86%	0.86	S	S	*	*			cis	146.3	105.2	-1.7	0	0	0	0	0	110.5
5	G	36.4	Very low	35.1	Very low	81 Å²	81	129.4 Å²	129.4	84%	0.835	85%	0.851	S	S	*	*			trans	92.5	132.6	-173.5	0	0	0	0	0	113.1
6	G	30.8	Very low	35.1	Very low	87 Å²	87	128.8 Å²	128.8	90%	0.897	85%	0.847	S	S	*	*			cis	94.8	116.2	-1.8	0	0	0	0	0	113.7
7	G	30.9	Very low	35	Very low	73 Å²	73	127.6 Å²	127.6	75%	0.753	84%	0.838	S	S	*	*			cis	176.8	-170.6	-4.1	0	0	0	0	0	113.9
8	C	32.2	Very low	34.6	Very low	129 Å²	129	131.9 Å²	131.9	87%	0.872	84%	0.842	S	S	*	*			trans	64.1	86.4	164.4	-62.6	0	0	0	0	120.1
9	S	31.3	Very low	34.7	Very low	121 Å²	121	131.5 Å²	131.5	85%	0.846	84%	0.84	S	S	*	*				42.4	114.2	113.9	175.7	0	0	0	0	120.6
10	A	37	Very low	34.5	Very low	87 Å²	87	128.6 Å²	128.6	72%	0.719	84%	0.835	S	S	*	*			trans	-145.1	156.4	136.6	0	0	0	0	0	110
11	S	35.4	Very low	34.2	Very low	113 Å²	113	130.1 Å²	130.1	79%	0.79	84%	0.836	S	S	*	*			trans	-128.5	110.9	174	-65.8	0	0	0	0	110.4
12	E	35.7	Very low	33.5	Very low	184 Å²	184	125.7 Å²	125.7	86%	0.86	81%	0.812	S	S	*	*			trans	-116.5	99.8	175.9	-60	-174.4	123.8	0	0	106.7
13	R	33.4	Very low	33	Very low	240 Å²	240	127.3 Å²	127.3	91%	0.906	81%	0.814	S	S	*	*				63.7	109.5	83.9	-71.4	-168.1	171.9	-159.4	-2.1	112.7
14	L	35.7	Very low	32.3	Very low	169 Å²	169	129.7 Å²	129.7	89%	0.885	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.9	154.3	176.3	-70.1	165.7	0	0	0	112.1
15	P	39.1	Very low	32.1	Very low	111 Å²	111	131.2 Å²	131.2	72%	0.721	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.1	159.7	178.9	30.2	-36.2	0	0	0	113.4
16	P	34.5	Very low	31.6	Very low	120 Å²	120	137 Å²	137	78%	0.779	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-87.5	153	-173.8	34.9	-36.2	0	0	0	114.3
17	P	33.1	Very low	31.5	Very low	109 Å²	109	136.4 Å²	136.4	71%	0.708	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-91.4	155.5	161	37.1	-32.8	0	0	0	112
18	F	27.8	Very low	31.3	Very low	205 Å²	205	137.7 Å²	137.7	90%	0.899	81%	0.813	S	S	*	*			trans	151.3	163.3	158	-85.7	-53.8	0	0	0	109.6
19	P	37.6	Very low	31	Very low	124 Å²	124	137 Å²	137	81%	0.805	82%	0.817	S	S	*	*			cis	-110.1	174.9	-5	37.2	-24.1	0	0	0	113.9
20	G	31.4	Very low	30.8	Very low	73 Å²	73	135.3 Å²	135.3	75%	0.753	82%	0.818	S	S	*	*			trans	-92	-177.9	178.9	0	0	0	0	0	114.8
21	L	26.7	Very low	30.2	Very low	160 Å²	160	135 Å²	135	84%	0.838	82%	0.824	S	S	*	*			trans	-88.9	158.4	178.6	-71.8	162.6	0	0	0	112.7
22	E	23.6	Very low	30.1	Very low	158 Å²	158	134.9 Å²	134.9	74%	0.738	82%	0.823	S	S	*	*			trans	66.3	148.6	162.8	-71.9	155.7	-158.4	0	0	116.1
23	P	29	Very low	29.6	Very low	130 Å²	130	134.1 Å²	134.1	84%	0.844	82%	0.819	S	S	*	*				-117.3	160.7	70.9	38.6	-35.7	0	0	0	116
24	E	24.1	Very low	29.5	Very low	171 Å²	171	128.7 Å²	128.7	80%	0.799	82%	0.815	S	S	*	*			trans	-79.8	152.2	165.2	-49.7	166.5	105.1	0	0	111.6
25	S	28.5	Very low	29.1	Very low	110 Å²	110	129.4 Å²	129.4	77%	0.769	81%	0.814	S	S	*	*			trans	-177.7	117.6	139.5	60.4	0	0	0	0	114
26	E	25.7	Very low	28.8	Very low	203 Å²	203	128.7 Å²	128.7	95%	0.949	82%	0.818	S	S	*	*			trans	45.3	145.4	137.2	-52.3	-167.9	134	0	0	123.7
27	G	29	Very low	28.5	Very low	74 Å²	74	126.7 Å²	126.7	76%	0.763	82%	0.818	S	S	*	*			trans	123.2	68	170.6	0	0	0	0	0	114.2
28	A	26	Very low	28.1	Very low	101 Å²	101	128.9 Å²	128.9	84%	0.835	82%	0.824	S	S	*	*				78.8	121.4	63.7	0	0	0	0	0	115.3
29	A	26.1	Very low	28.4	Very low	114 Å²	114	123.8 Å²	123.8	94%	0.942	81%	0.814	S	S	*	*			trans	56.5	112.4	166.1	0	0	0	0	0	119.2
30	G	28.2	Very low	27.8	Very low	85 Å²	85	125.4 Å²	125.4	88%	0.876	82%	0.816	S	S	*	*			trans	-176.1	20.2	173.2	0	0	0	0	0	116.2
31	G	24.4	Very low	27.9	Very low	82 Å²	82	127.8 Å²	127.8	85%	0.845	82%	0.816	S	S	*	*			trans	-99.2	118.6	176.7	0	0	0	0	0	111.1
32	S	31.7	Very low	28.3	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	82%	0.82	S	S	*	*			trans	-136.2	130.3	172.7	55.9	0	0	0	0	109.1
33	E	25.7	Very low	28.7	Very low	168 Å²	168	125.8 Å²	125.8	79%	0.785	82%	0.823	S	S	*	*			trans	-69.4	165.2	-175.3	-59.4	123.6	147.3	0	0	113
34	P	32.3	Very low	29.2	Very low	126 Å²	126	129 Å²	129	82%	0.818	83%	0.827	S	S	*	*			trans	-118.9	92	131.1	34	-29	0	0	0	110.5
35	E	26.1	Very low	29.7	Very low	183 Å²	183	127.6 Å²	127.6	86%	0.855	83%	0.825	S	S	*	*			trans	-73.8	122.1	150.3	-74.1	-155.7	144.4	0	0	108.2
36	A	33.2	Very low	30.4	Very low	97 Å²	97	130 Å²	130	80%	0.802	83%	0.828	S	S	*	*			trans	-137.7	104.3	166.5	0	0	0	0	0	106.7
37	G	28.6	Very low	30.6	Very low	77 Å²	77	129.5 Å²	129.5	79%	0.794	82%	0.823	S	S	*	*			trans	-70.9	152	-173.4	0	0	0	0	0	113.4
38	D	25	Very low	31	Very low	155 Å²	155	132 Å²	132	83%	0.829	82%	0.823	S	S	*	*			trans	-84.2	132.5	169.9	-171	6.5	0	0	0	109.6
39	S	33.7	Very low	30.9	Very low	99 Å²	99	131.2 Å²	131.2	69%	0.692	83%	0.825	S	S	*	*			trans	-159.1	72.9	177.4	70.7	0	0	0	0	113.5	T41	S39-T41 PolarHBondContact O-N 3.09Å
40	D	25.5	Very low	31.2	Very low	157 Å²	157	130.2 Å²	130.2	84%	0.84	82%	0.817	S	S	*	*			trans	-66.7	101.9	159.5	-89.3	-26.8	0	0	0	110.5
41	T	32.8	Very low	31	Very low	123 Å²	123	130.8 Å²	130.8	76%	0.755	81%	0.813	S	S	*	*			trans	-147.4	103.7	162.7	53.2	0	0	0	0	112.2	S39	S39-T41 PolarHBondContact O-N 3.09Å
42	E	35.3	Very low	31.3	Very low	198 Å²	198	133.8 Å²	133.8	93%	0.925	82%	0.815	S	S	*	*				-176.2	112.4	127.2	-103	169.1	-163.2	0	0	109.1
43	G	31	Very low	30.8	Very low	78 Å²	78	134.3 Å²	134.3	80%	0.804	81%	0.813	S	S	*	*			trans	-117.8	125.9	173.1	0	0	0	0	0	109.5
44	E	39.5	Very low	30.7	Very low	197 Å²	197	131 Å²	131	92%	0.921	81%	0.809	S	S	*	*			trans	-91.2	128.4	175.7	-65.1	-168.2	124.5	0	0	110.9	I46	E44-I46 PolarHBondContact O-N 3.34Å
45	D	35.4	Very low	30.3	Very low	143 Å²	143	134.4 Å²	134.4	77%	0.765	81%	0.811	S	S	*	*			trans	-72.5	117.8	-176	-90.9	-52.8	0	0	0	112.8	F47	D45-F47 PolarHBondContact O-N 3.32Å; D45-F47 VanDerWaalsContact O-N 3.13Å
46	I	42.4	Very low	30.1	Very low	161 Å²	161	134.6 Å²	134.6	83%	0.826	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	4.5	-175	-142.9	167.3	0	0	0	114.5	E44	E44-I46 PolarHBondContact O-N 3.34Å
47	F	30.4	Very low	29.7	Very low	191 Å²	191	139.4 Å²	139.4	84%	0.838	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	8.1	-169.1	-95.4	-78.2	0	0	0	116.1	D45 G49	D45-F47 PolarHBondContact O-N 3.32Å; D45-F47 VanDerWaalsContact O-N 3.13Å; F47-G49 PolarHBondContact O-N 3.47Å
48	T	37.3	Very low	29.4	Very low	126 Å²	126	141 Å²	141	77%	0.773	82%	0.816	S	S	*	*			trans	-79.5	83.3	174	57.1	0	0	0	0	112.3	A50	T48-A50 PolarHBondContact O-N 2.93Å
49	G	25	Very low	29.8	Very low	85 Å²	85	138.8 Å²	138.8	88%	0.876	81%	0.81	S	S	*	*			trans	-68.3	108.2	170.4	0	0	0	0	0	112.3	F47	F47-G49 PolarHBondContact O-N 3.47Å
50	A	30.8	Very low	29.5	Very low	93 Å²	93	144.1 Å²	144.1	77%	0.769	82%	0.821	S	S	*	*			trans	-116.7	123.8	173.7	0	0	0	0	0	110.7	T48	T48-A50 PolarHBondContact O-N 2.93Å
51	A	24.6	Very low	29.1	Very low	97 Å²	97	147.9 Å²	147.9	80%	0.802	82%	0.824	S	S	*	*			trans	-81.5	135.8	-173.1	0	0	0	0	0	113.1
52	V	30.3	Very low	28.8	Very low	145 Å²	145	148.1 Å²	148.1	88%	0.879	83%	0.825	S	S	*	*			trans	-119.7	128.4	162.3	-178.5	0	0	0	0	108.4
53	V	22.5	Very low	28.2	Very low	121 Å²	121	144.6 Å²	144.6	73%	0.733	82%	0.817	S	S	*	*			trans	-124.9	148.6	-169.8	164.5	0	0	0	0	109.9
54	S	23.6	Very low	28	Very low	100 Å²	100	145.8 Å²	145.8	70%	0.699	81%	0.813	S	S	*	*			trans	73.2	154	178	-71	0	0	0	0	115.6
55	K	23.4	Very low	27.2	Very low	196 Å²	196	143.8 Å²	143.8	85%	0.852	81%	0.808	S	S	*	*			cis	-150	157	8.4	-137.6	161.4	-171.5	172.4	0	112.3
56	H	21	Very low	26.8	Very low	188 Å²	188	144.8 Å²	144.8	87%	0.87	81%	0.812	S	S	*	*			trans	-59.8	144.7	171.1	-72.2	-79.5	0	0	0	113.4
57	Q	25.4	Very low	26.6	Very low	197 Å²	197	142.4 Å²	142.4	92%	0.921	81%	0.807	S	S	*	*			trans	-136.2	130.4	142.1	-74.2	-165.2	-2.6	0	0	111.8
58	S	21.7	Very low	26.4	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	80%	0.804	S	S	*	*			trans	-118.5	-180	152.2	68.5	0	0	0	0	106.2
59	P	33.2	Very low	25.7	Very low	109 Å²	109	140.6 Å²	140.6	71%	0.708	80%	0.8	S	S	*	*			cis	-133.4	-174.3	1.1	43.1	-27.7	0	0	0	113.7
60	K	27.3	Very low	25.6	Very low	212 Å²	212	143.5 Å²	143.5	92%	0.922	80%	0.796	S	S	*	*			trans	-151.4	147.3	144.2	-108.8	154.4	-171.1	174.4	0	110.3
61	R	18.1	Very low	25.4	Very low	236 Å²	236	142.7 Å²	142.7	89%	0.891	80%	0.797	S	S	*	*			trans	-151.5	113.4	-164.4	-173.8	-168.7	-163.2	-163.8	8	110.9
62	T	25.6	Very low	25.4	Very low	127 Å²	127	144.2 Å²	144.2	78%	0.779	80%	0.801	S	S	*	*			trans	-161.1	138.6	178	33.9	0	0	0	0	107.7
63	T	23.1	Very low	25.2	Very low	124 Å²	124	146.5 Å²	146.5	76%	0.761	80%	0.799	S	S	*	*			cis	165.9	155.8	-19.4	21.2	0	0	0	0	105.1
64	S	27.6	Very low	25.3	Very low	104 Å²	104	149.5 Å²	149.5	73%	0.727	81%	0.806	S	S	*	*			trans	72.9	122.1	-170.8	-150.7	0	0	0	0	113.1
65	L	23.4	Very low	25.5	Very low	155 Å²	155	152.5 Å²	152.5	81%	0.812	81%	0.814	S	S	*	*			cis	85.1	139.2	30.9	-59.5	169.2	0	0	0	115.3
66	L	25.4	Very low	25.5	Very low	163 Å²	163	146.6 Å²	146.6	85%	0.853	81%	0.809	S	S	*	*			trans	89.9	146.5	171.2	-56.9	-175	0	0	0	117.1
67	P	39.3	Very low	26	Very low	111 Å²	111	146.1 Å²	146.1	72%	0.721	81%	0.811	S	S	*	*			trans	-138.5	-159.2	-135.5	35.2	-11	0	0	0	115.7
68	I	26	Very low	26.2	Very low	151 Å²	151	144.8 Å²	144.8	77%	0.774	80%	0.804	S	S	*	*			trans	106.5	91.2	159.4	-55.8	178.1	0	0	0	117.1
69	N	22.4	Very low	26.4	Very low	128 Å²	128	147.5 Å²	147.5	68%	0.684	80%	0.804	S	S	*	*				67.7	128.6	117.4	-154.5	49.3	0	0	0	122.7
70	N	23.7	Very low	26.3	Very low	146 Å²	146	151.4 Å²	151.4	78%	0.781	81%	0.814	S	S	*	*			trans	45.5	112.8	152.4	-68.2	-4.3	0	0	0	120.5
71	G	25.9	Very low	26.5	Very low	77 Å²	77	150 Å²	150	79%	0.794	81%	0.81	S	S	*	*			trans	-175	67	167.4	0	0	0	0	0	113.7	K73	G71-K73 PolarHBondContact O-N 2.78Å
72	S	23.8	Very low	27.2	Very low	128 Å²	128	145.8 Å²	145.8	90%	0.895	81%	0.805	S	S	*	*			trans	-71.2	95.7	175.4	56	0	0	0	0	111.1
73	K	27.5	Very low	27.7	Very low	193 Å²	193	148.9 Å²	148.9	84%	0.839	81%	0.811	S	S	*	*			trans	-149.8	126	158.3	-117.9	177	-176.8	-173.9	0	112.5	G71	G71-K73 PolarHBondContact O-N 2.78Å
74	E	22.8	Very low	28.3	Very low	185 Å²	185	151.7 Å²	151.7	86%	0.864	82%	0.816	S	S	*	*			trans	-42.5	136.8	164	-178.3	173.4	-144.3	0	0	113.3
75	N	28.7	Very low	29	Very low	162 Å²	162	152.5 Å²	152.5	87%	0.866	82%	0.818	S	S	*	*			trans	-150.6	121.4	166.5	-94	-34.8	0	0	0	106.7
76	G	24.2	Very low	29.8	Very low	73 Å²	73	154.1 Å²	154.1	75%	0.753	82%	0.822	S	S	*	*			trans	-85	-177	-175.8	0	0	0	0	0	114.5
77	I	30.6	Very low	31.2	Very low	177 Å²	177	151.5 Å²	151.5	91%	0.908	81%	0.808	S	S	*	*			trans	-127.1	149.5	163.5	-64.7	-177.9	0	0	0	107
78	H	29.1	Very low	31.9	Very low	170 Å²	170	153.6 Å²	153.6	79%	0.787	81%	0.813	S	S	*	*			trans	-61.2	153.8	-156.5	-90.4	-58.5	0	0	0	118.2
79	E	26	Very low	32.8	Very low	166 Å²	166	153.3 Å²	153.3	78%	0.776	81%	0.806	S	S	*	*			trans	-59.1	134.5	152.8	-50.1	106	149.2	0	0	111.2
80	E	32.4	Very low	34.6	Very low	192 Å²	192	150.3 Å²	150.3	90%	0.897	80%	0.799	S	S	*	*			trans	-108.3	149.1	154.3	-73.4	-165.2	148.5	0	0	108.9
81	Q	31.6	Very low	35.7	Very low	182 Å²	182	151.2 Å²	151.2	85%	0.85	80%	0.804	S	S	*	*			trans	-80.7	123.5	-150.6	-68.5	172.8	-35	0	0	115.3	Q83	Q81-Q83 PolarHBondContact O-N 3.07Å
82	D	32.8	Very low	36.5	Very low	148 Å²	148	151 Å²	151	79%	0.791	80%	0.795	S	S	*	*			trans	12.7	99.4	140.9	-51.4	-36.7	0	0	0	117.2
83	Q	34.8	Very low	37.1	Very low	192 Å²	192	150.1 Å²	150.1	90%	0.897	78%	0.784	S	S	*	*			trans	-125.3	85.2	144.7	-70.5	-171.3	6.4	0	0	107.9	Q81	Q81-Q83 PolarHBondContact O-N 3.07Å
84	E	36.5	Very low	38.1	Very low	183 Å²	183	146.2 Å²	146.2	86%	0.855	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-59.6	129.3	171.4	-73.3	-167.6	123.8	0	0	109.8
85	P	41.8	Very low	38.7	Very low	120 Å²	120	145 Å²	145	78%	0.779	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-69.6	134.8	175.5	28.9	-33.3	0	0	0	110	D87	P85-D87 PolarHBondContact O-N 3.41Å
86	Q	41	Very low	38.9	Very low	190 Å²	190	144.2 Å²	144.2	89%	0.888	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-50.4	118.6	-180	-164.9	89.7	36.1	0	0	111.7	L88	Q86-L88 PolarHBondContact O-N 2.77Å
87	D	53.2	Low	39.4	Very low	108 Å²	108	146 Å²	146	58%	0.578	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-61.8	123.2	176.7	-178.7	7.4	0	0	0	110.8	P85 F89	P85-D87 PolarHBondContact O-N 3.41Å; D87-F89 VanDerWaalsContact C-N 3.31Å; D87-F89 PolarHBondContact OD1-N 2.9Å
88	L	56	Low	39.1	Very low	155 Å²	155	145.8 Å²	145.8	81%	0.812	77%	0.766	S	S	*	*	S	Bend	trans	-80.1	-11.6	-177.3	-167.3	63.1	0	0	0	112.8	Q86	Q86-L88 PolarHBondContact O-N 2.77Å
89	F	44.8	Very low	39.2	Very low	145 Å²	145	145.3 Å²	145.3	64%	0.636	77%	0.769	S	S	*	*	S	Bend	trans	-113.7	-0.6	-170.2	-65.4	-78.7	0	0	0	115.2	D87 D91 A92	D87-F89 VanDerWaalsContact C-N 3.31Å; D87-F89 PolarHBondContact OD1-N 2.9Å; F89-D91 VanDerWaalsContact C-N 3.31Å; F89-D91 PolarHBondContact O-N 3.32Å; F89-A92 VanDerWaalsContact O-CB 3.28Å; F89-A92 WeakPolarHBondContact O-CB 3.49Å; F89-A92 PolarHBondContact O-N 3.01Å
90	A	58.3	Low	39.2	Very low	64 Å²	64	144.2 Å²	144.2	53%	0.529	77%	0.769	S	S	.	*	G	3₁₀ helix	trans	-51.5	-44.4	-178.1	0	0	0	0	0	113.9	A92	A90-A92 PolarHBondContact O-N 3.39Å
91	D	48.1	Very low	39	Very low	165 Å²	165	140.1 Å²	140.1	88%	0.882	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-76	-0.9	-179.4	-78.7	-23.8	0	0	0	114.5	F89 T93	F89-D91 VanDerWaalsContact C-N 3.31Å; F89-D91 PolarHBondContact O-N 3.32Å; D91-T93 VanDerWaalsContact C-N 3.34Å
92	A	41.7	Very low	38.8	Very low	73 Å²	73	139.3 Å²	139.3	60%	0.603	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-81.8	-10.1	179.3	0	0	0	0	0	114	F89 A90 V94	F89-A92 VanDerWaalsContact O-CB 3.28Å; F89-A92 WeakPolarHBondContact O-CB 3.49Å; F89-A92 PolarHBondContact O-N 3.01Å; A90-A92 PolarHBondContact O-N 3.39Å; A92-V94 PolarHBondContact O-N 3.11Å
93	T	37	Very low	38.3	Very low	110 Å²	110	138.7 Å²	138.7	68%	0.675	75%	0.75	S	S	*	*			trans	-86.5	70.8	-170.2	-45.6	0	0	0	0	112.4	D91 E95	D91-T93 VanDerWaalsContact C-N 3.34Å; T93-E95 PolarHBondContact O-N 3.37Å
94	V	47.7	Very low	37.9	Very low	110 Å²	110	136.2 Å²	136.2	67%	0.667	74%	0.743	S	S	*	*			trans	-83.1	94	175.8	-174.4	0	0	0	0	110.6	A92 L96	A92-V94 PolarHBondContact O-N 3.11Å; V94-L96 HydrophobicContact CG1-CD2 3.86Å; V94-L96 HydrophobicContact CG1-CG 4.13Å; V94-L96 PolarHBondContact O-N 3.26Å
95	E	35.7	Very low	37.3	Very low	160 Å²	160	134.9 Å²	134.9	75%	0.748	74%	0.737	S	S	*	*			trans	-61.5	89.3	170.3	-80.1	-80	135.6	0	0	111.6	T93 S97	T93-E95 PolarHBondContact O-N 3.37Å; E95-S97 VanDerWaalsContact C-N 3.31Å; E95-S97 PolarHBondContact O-N 2.93Å
96	L	33.3	Very low	36.6	Very low	146 Å²	146	138.6 Å²	138.6	76%	0.764	74%	0.741	S	S	*	*			trans	-78.1	77.9	175.3	-68.7	179.2	0	0	0	111.5	V94 L98	V94-L96 HydrophobicContact CG1-CD2 3.86Å; V94-L96 HydrophobicContact CG1-CG 4.13Å; V94-L96 PolarHBondContact O-N 3.26Å; L96-L98 PolarHBondContact O-N 3.14Å
97	S	34.4	Very low	35.7	Very low	110 Å²	110	138.5 Å²	138.5	77%	0.769	74%	0.737	S	S	*	*			trans	-57.7	104.1	169.8	-68.8	0	0	0	0	111.4	E95 D99	E95-S97 VanDerWaalsContact C-N 3.31Å; E95-S97 PolarHBondContact O-N 2.93Å; S97-D99 PolarHBondContact O-N 3.11Å
98	L	24.9	Very low	34.3	Very low	172 Å²	172	139.3 Å²	139.3	90%	0.901	75%	0.746	S	S	*	*			trans	-82.4	104.7	175.2	-71.5	170.5	0	0	0	110.4	L96	L96-L98 PolarHBondContact O-N 3.14Å
99	D	31.9	Very low	33.6	Very low	161 Å²	161	137.3 Å²	137.3	86%	0.861	74%	0.742	S	S	*	*			trans	-144.2	146.8	158.8	-137.6	-24.7	0	0	0	112.9	S97	S97-D99 PolarHBondContact O-N 3.11Å
100	N	24.4	Very low	32.7	Very low	143 Å²	143	134.7 Å²	134.7	77%	0.765	75%	0.747	S	S	*	*			trans	-90.5	156.6	-175.6	-89.7	-67.9	0	0	0	111.6
101	T	28.3	Very low	31.4	Very low	106 Å²	106	141.9 Å²	141.9	65%	0.65	77%	0.766	S	S	*	*				147	118.4	111.4	-56	0	0	0	0	113.8
102	Q	27.4	Very low	30.2	Very low	164 Å²	164	139.8 Å²	139.8	77%	0.766	76%	0.76	S	S	*	*			trans	63.3	135.4	152	-69.2	168	17.3	0	0	122.8
103	N	23.8	Very low	29.9	Very low	136 Å²	136	144.7 Å²	144.7	73%	0.727	78%	0.775	S	S	*	*			trans	30.6	134.6	130.9	-57.3	-27.2	0	0	0	119.1
104	N	26.6	Very low	29.5	Very low	140 Å²	140	146.7 Å²	146.7	75%	0.749	78%	0.78	S	S	*	*				-167.2	172.9	52.8	-140.8	-39	0	0	0	114.9
105	Q	23.4	Very low	28.5	Very low	155 Å²	155	146.2 Å²	146.2	72%	0.724	78%	0.782	S	S	*	*			trans	-67.2	143.5	-176.9	-52.8	165.5	1	0	0	114.7
106	K	27	Very low	28.4	Very low	198 Å²	198	146.2 Å²	146.2	86%	0.861	79%	0.786	S	S	*	*				173	-171.1	126.8	-90.1	147.5	-159.9	165.1	0	112.2
107	K	21.8	Very low	28.6	Very low	188 Å²	188	144.4 Å²	144.4	82%	0.817	78%	0.783	S	S	*	*				-172.3	143.1	-92.9	-129.5	-176.1	-179.6	-179.8	0	110.4
108	V	25.1	Very low	28.7	Very low	124 Å²	124	144.3 Å²	144.3	75%	0.752	78%	0.78	S	S	*	*			trans	69.1	157.6	163.7	-178	0	0	0	0	113.9
109	P	40.6	Very low	29.2	Very low	113 Å²	113	145.5 Å²	145.5	73%	0.734	78%	0.78	S	S	*	*			cis	-107.1	163.3	-6.7	15.4	8.6	0	0	0	113.5
110	A	25.1	Very low	28.9	Very low	90 Å²	90	147 Å²	147	74%	0.744	78%	0.782	S	S	*	*			cis	85.2	120.7	35.7	0	0	0	0	0	115.8
111	K	31.2	Very low	29.2	Very low	215 Å²	215	144.9 Å²	144.9	94%	0.935	79%	0.785	S	S	*	*			trans	-143.9	154.3	166.4	-93.1	-175.6	176	176.5	0	109.1
112	T	23.7	Very low	29.8	Very low	121 Å²	121	145.6 Å²	145.6	74%	0.742	79%	0.791	S	S	*	*			trans	-130.9	136.8	-157.3	-45	0	0	0	0	113
113	L	35.2	Very low	29.9	Very low	176 Å²	176	145.3 Å²	145.3	92%	0.921	80%	0.795	S	S	*	*			trans	-143.3	164.7	161.8	-76.7	-178.9	0	0	0	111
114	I	28.8	Very low	30.7	Very low	152 Å²	152	144.2 Å²	144.2	78%	0.779	80%	0.798	S	S	*	*			trans	-140.8	150.2	-161.8	-68	153.5	0	0	0	106.3
115	S	26.7	Very low	31.3	Very low	101 Å²	101	142.1 Å²	142.1	71%	0.706	79%	0.794	S	S	*	*			cis	-162.4	174.4	30.4	17.3	0	0	0	0	108.7
116	L	32.1	Very low	32.1	Very low	160 Å²	160	143.7 Å²	143.7	84%	0.838	80%	0.799	S	S	*	*			cis	-161.8	168.4	-5.3	-105.3	159.9	0	0	0	106.9
117	P	38.1	Very low	32.7	Very low	107 Å²	107	142.5 Å²	142.5	70%	0.695	80%	0.796	S	S	*	*			trans	-96.4	-167.2	176.9	43.9	-36.6	0	0	0	111.1
118	P	36.3	Very low	33.6	Very low	109 Å²	109	140.7 Å²	140.7	71%	0.708	79%	0.79	S	S	*	*			cis	-137.5	167.4	1.3	42.8	-26.2	0	0	0	117.1
119	Q	36.2	Very low	34.3	Very low	196 Å²	196	138.9 Å²	138.9	92%	0.916	78%	0.781	S	S	*	*				-168.5	136.5	122.3	-107	-174.1	-71.1	0	0	110.3
120	E	25	Very low	34.2	Very low	193 Å²	193	137.1 Å²	137.1	90%	0.902	77%	0.768	S	S	*	*			trans	-118.6	156.1	-177.7	-65.4	178.1	123.8	0	0	112
121	A	31.3	Very low	35.4	Very low	98 Å²	98	139.6 Å²	139.6	81%	0.81	76%	0.76	S	S	*	*			trans	109.1	145.8	158.1	0	0	0	0	0	117.7
122	P	40	Very low	36.3	Very low	121 Å²	121	136.1 Å²	136.1	79%	0.786	75%	0.747	S	S	*	*			cis	-115.5	156.1	-14.7	37.6	-25.3	0	0	0	113.5
123	N	30	Very low	37.4	Very low	158 Å²	158	136.1 Å²	136.1	85%	0.845	74%	0.738	S	S	*	*			trans	-68	136.1	171.9	-74.8	-18.3	0	0	0	111.6
124	S	39.8	Very low	38.2	Very low	114 Å²	114	132 Å²	132	80%	0.797	72%	0.716	S	S	*	*			trans	-124	66.7	154.2	56.7	0	0	0	0	109.3	K126	S124-K126 VanDerWaalsContact C-N 3.34Å; S124-K126 PolarHBondContact O-N 3.48Å
125	S	39.3	Very low	39.2	Very low	95 Å²	95	130.9 Å²	130.9	66%	0.664	71%	0.708	S	S	*	*			trans	-63.9	94.1	171.1	48.4	0	0	0	0	109.3	H127	S125-H127 PolarHBondContact O-N 3.49Å
126	K	41.5	Very low	40.1	Very low	188 Å²	188	134.7 Å²	134.7	82%	0.817	71%	0.714	S	S	*	*			trans	-55.7	120.4	164.6	-68.8	-175.9	177.8	-176.4	0	107.1	S124 Q128	S124-K126 VanDerWaalsContact C-N 3.34Å; S124-K126 PolarHBondContact O-N 3.48Å; K126-Q128 PolarHBondContact O-N 3.18Å; K126-Q128 VanDerWaalsContact O-N 3.12Å
127	H	38.7	Very low	40.9	Very low	173 Å²	173	135.8 Å²	135.8	80%	0.801	72%	0.715	S	S	*	*			trans	-60.7	115.9	169	-85.9	-102.8	0	0	0	108.4	S125	S125-H127 PolarHBondContact O-N 3.49Å
128	Q	40.4	Very low	41.6	Very low	150 Å²	150	135.2 Å²	135.2	70%	0.701	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-74.7	133.7	151.6	-70.6	176.3	-69.3	0	0	106.3	K126 T130	K126-Q128 PolarHBondContact O-N 3.18Å; K126-Q128 VanDerWaalsContact O-N 3.12Å; Q128-T130 PolarHBondContact O-N 3.04Å
129	P	40.3	Very low	42.5	Very low	87 Å²	87	138.7 Å²	138.7	57%	0.565	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-56.3	135.6	174	-24.9	34.7	0	0	0	110.4	E133	P129-E133 WeakPolarHBondContact CA-OE2 3.27Å
130	T	39.1	Very low	43.9	Very low	75 Å²	75	134.2 Å²	134.2	46%	0.46	69%	0.689	S	S	.	*	P	Polyproline II helix	trans	-74.9	151.3	176.7	-18.2	0	0	0	0	108.9	Q128 E132 E133	Q128-T130 PolarHBondContact O-N 3.04Å; T130-E132 PolarHBondContact O-N 3.45Å; T130-E132 VanDerWaalsContact O-N 3.1Å; T130-E133 PolarHBondContact N-OE2 3.49Å; T130-E133 VanDerWaalsContact N-OE2 3.08Å; T130-E133 PolarHBondContact O-N 2.96Å
131	Y	50	Low	46.1	Very low	143 Å²	143	128.3 Å²	128.3	56%	0.561	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.1	-40.6	-178	-72.1	-87.1	0	0	0	112.8	E133 L134	Y131-E133 VanDerWaalsContact C-N 3.31Å; Y131-E133 PolarHBondContact O-N 3.07Å; Y131-L134 PolarHBondContact O-N 3.43Å
132	E	49.8	Very low	48.2	Very low	142 Å²	142	131.4 Å²	131.4	66%	0.664	66%	0.662	S	S	*	*	H	α-helix	trans	-56	-38.5	178.3	-60.9	166.2	150.1	0	0	112.8	T130 L134 E135	T130-E132 PolarHBondContact O-N 3.45Å; T130-E132 VanDerWaalsContact O-N 3.1Å; E132-L134 PolarHBondContact O-N 3.37Å; E132-E135 PolarHBondContact O-N 2.63Å
133	E	46.9	Very low	50.5	Low	120 Å²	120	128.4 Å²	128.4	56%	0.561	64%	0.636	S	S	*	*	H	α-helix	trans	-71.9	-11.9	179.4	-65	177.4	127.2	0	0	113.4	P129 T130 Y131	P129-E133 WeakPolarHBondContact CA-OE2 3.27Å; T130-E133 PolarHBondContact N-OE2 3.49Å; T130-E133 VanDerWaalsContact N-OE2 3.08Å; T130-E133 PolarHBondContact O-N 2.96Å; Y131-E133 VanDerWaalsContact C-N 3.31Å; Y131-E133 PolarHBondContact O-N 3.07Å
134	L	51.4	Low	53.4	Low	89 Å²	89	125.4 Å²	125.4	47%	0.466	62%	0.621	S	S	.	*	H	α-helix	trans	-94.3	-17.1	174.7	-64.5	176.1	0	0	0	112.9	Y131 E132	Y131-L134 PolarHBondContact O-N 3.43Å; E132-L134 PolarHBondContact O-N 3.37Å
135	E	50.4	Low	56	Low	129 Å²	129	120.4 Å²	120.4	60%	0.603	59%	0.585	S	S	*	*	H	α-helix	trans	-84.9	-32.1	-179.5	-65.7	-177.7	-175.3	0	0	112.4	E132 E137 E138	E132-E135 PolarHBondContact O-N 2.63Å; E135-E137 PolarHBondContact O-N 3.45Å; E135-E138 PolarHBondContact O-N 2.93Å
136	E	45.5	Very low	58.5	Low	181 Å²	181	120.1 Å²	120.1	85%	0.846	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-22.1	-171.2	-66.9	-163.7	157.3	0	0	115.5
137	E	48.4	Very low	61.2	Low	183 Å²	183	111.3 Å²	111.3	86%	0.855	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	5.1	176.2	-72.8	-159.7	148.9	0	0	114.1	E135 Q139	E135-E137 PolarHBondContact O-N 3.45Å; E137-Q139 VanDerWaalsContact C-N 3.3Å; E137-Q139 PolarHBondContact O-N 3.05Å
138	E	53	Low	64	Low	95 Å²	95	104 Å²	104	44%	0.444	51%	0.513	S	S	.	.			trans	-72.9	73.8	-176.8	-69.6	-154	143.9	0	0	114.5	E135 E140 K483	E135-E138 PolarHBondContact O-N 2.93Å; E138-E140 PolarHBondContact O-N 3.15Å; E138-K483 IonicContact OE2-NZ 2.94Å; E138-K483 PolarHBondContact OE2-NZ 2.8Å
139	Q	55.7	Low	66.7	Low	183 Å²	183	96.9 Å²	96.9	86%	0.855	48%	0.479	S	S	*	.			trans	-57.1	118.6	154.7	-161.3	166.4	104.9	0	0	108	E137 D141	E137-Q139 VanDerWaalsContact C-N 3.3Å; E137-Q139 PolarHBondContact O-N 3.05Å; Q139-D141 PolarHBondContact O-N 3.47Å
140	E	65.6	Low	69.4	Low	101 Å²	101	95.1 Å²	95.1	47%	0.472	47%	0.467	S	S	.	.			trans	-58.6	134.4	-178.6	-76	-145.2	140.1	0	0	110.6	E138 Q142 K487	E138-E140 PolarHBondContact O-N 3.15Å; E140-Q142 PolarHBondContact O-N 3.39Å; E140-K487 VanDerWaalsContact CD-NZ 3.34Å; E140-K487 IonicContact OE1-NZ 2.69Å; E140-K487 PolarHBondContact OE1-NZ 3.47Å; E140-K487 VanDerWaalsContact OE1-NZ 3.07Å; E140-K487 IonicContact OE2-NZ 3.71Å; E140-K487 PolarHBondContact OE2-NZ 3.12Å
141	D	71.1	Confident	71.9	Confident	70 Å²	70	95.5 Å²	95.5	37%	0.374	47%	0.466	S	S	.	.			trans	-66.2	60.3	171.8	-78.4	-17.2	0	0	0	111.7	Q139 F143 P253 R480	Q139-D141 PolarHBondContact O-N 3.47Å; D141-F143 HydrophobicContact CB-CE2 4.22Å; D141-P253 HydrophobicContact CB-CG 4.28Å; D141-P253 WeakPolarHBondContact OD1-CG 3.41Å; D141-P253 VanDerWaalsContact OD2-CD 3.28Å; D141-P253 WeakPolarHBondContact OD2-CD 3.36Å; D141-P253 WeakPolarHBondContact OD2-CG 3.24Å; D141-R480 WeakPolarHBondContact OD2-CD 3.43Å; D141-R480 IonicContact OD2-CZ 2.65Å; D141-R480 IonicContact OD2-NE 2.87Å; D141-R480 PolarHBondContact OD2-NE 2.66Å; D141-R480 IonicContact OD2-NH2 2.96Å
142	Q	75.6	Confident	74	Confident	163 Å²	163	91.2 Å²	91.2	76%	0.762	46%	0.456	S	S	*	.			trans	-104.2	97.7	178.1	-171.7	171	42.3	0	0	110.5	E140	E140-Q142 PolarHBondContact O-N 3.39Å
143	F	87.6	Confident	76	Confident	57 Å²	57	88.2 Å²	88.2	25%	0.25	44%	0.442	C	S	.	.			trans	-88.4	134.1	172.4	-57.6	-71.1	0	0	0	110.4	D141 L145 L173 N251 P253 L256	D141-F143 HydrophobicContact CB-CE2 4.22Å; F143-L145 PolarHBondContact O-N 2.79Å; F143-L173 HydrophobicContact CB-CD1 4.33Å; F143-N251 WeakPolarHBondContact CE2-O 3.5Å; F143-P253 HydrophobicContact CE2-CB 4.36Å; F143-P253 HydrophobicContact CE2-CG 3.94Å; F143-P253 HydrophobicContact CZ-CB 3.94Å; F143-P253 HydrophobicContact CZ-CG 3.84Å; F143-L256 HydrophobicContact CB-CD2 3.74Å; F143-L256 HydrophobicContact CD1-CD2 3.44Å; F143-L256 VanDerWaalsContact CD1-CD2 3.44Å; F143-L256 HydrophobicContact CD2-CD2 3.62Å; F143-L256 HydrophobicContact CE1-CD2 3.96Å; F143-L256 HydrophobicContact CE2-CD2 4.11Å; F143-L256 HydrophobicContact CG-CD2 3.26Å; F143-L256 HydrophobicContact CZ-CD2 4.27Å
144	D	90.9	Very high	78	Confident	96 Å²	96	87 Å²	87	51%	0.513	44%	0.435	S	S	.	.	S	Bend	trans	-76.2	73.4	170.4	-179.4	20.2	0	0	0	110	T171 S172	D144-T171 VanDerWaalsContact O-CA 3.23Å; D144-T171 WeakPolarHBondContact O-CA 3.31Å; D144-T171 VanDerWaalsContact O-CB 3.32Å; D144-T171 WeakPolarHBondContact O-CB 3.47Å; D144-T171 PolarHBondContact O-OG1 3.32Å; D144-S172 PolarHBondContact O-N 3.29Å; D144-S172 WeakPolarHBondContact OD2-CB 3.22Å; D144-S172 PolarHBondContact OD2-OG 3.18Å
145	L	94	Very high	79.9	Confident	8 Å²	8	84.8 Å²	84.8	4%	0.042	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	124.2	174.2	-176.4	153.3	0	0	0	109.7	F143 V147 T169 Q170 T171 L173 F176 V250 L256	F143-L145 PolarHBondContact O-N 2.79Å; L145-V147 HydrophobicContact CD2-CG1 3.77Å; L145-T169 HydrophobicContact CD1-CG2 4.08Å; L145-T169 HydrophobicContact CD2-CG2 4.19Å; L145-T169 HydrophobicContact CG-CG2 3.97Å; L145-Q170 CarbonylContact C-O 3.59Å; L145-Q170 WeakPolarHBondContact CA-O 3.5Å; L145-T171 HydrophobicContact CD1-CG2 4.4Å; L145-L173 HydrophobicContact CB-CD1 3.98Å; L145-L173 HydrophobicContact CD1-CD1 4.12Å; L145-F176 HydrophobicContact CD1-CD2 4.24Å; L145-F176 HydrophobicContact CD1-CE2 3.29Å; L145-F176 HydrophobicContact CD1-CZ 3.55Å; L145-V250 HydrophobicContact CD2-CB 3.66Å; L145-V250 HydrophobicContact CD2-CG1 4.06Å; L145-V250 HydrophobicContact CD2-CG2 3.48Å; L145-V250 VanDerWaalsContact CD2-CG2 3.48Å; L145-L256 HydrophobicContact CD1-CD1 3.96Å
146	T	93.8	Very high	81.7	Confident	90 Å²	90	81.2 Å²	81.2	55%	0.552	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.6	172.6	-61.6	0	0	0	0	109.5	T169 Q170	T146-T169 WeakPolarHBondContact O-CA 3.36Å; T146-Q170 PolarHBondContact N-O 3.27Å; T146-Q170 PolarHBondContact O-N 2.98Å
147	V	96.5	Very high	83.5	Confident	2 Å²	2	79.2 Å²	79.2	1%	0.012	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.7	166.9	-65.6	0	0	0	0	110.5	L145 T168 T169 L246 Q247 V250 L265	L145-V147 HydrophobicContact CD2-CG1 3.77Å; V147-T168 WeakPolarHBondContact CA-O 3.48Å; V147-T169 HydrophobicContact CG1-CG2 4.1Å; V147-L246 HydrophobicContact CB-CD2 4.07Å; V147-L246 HydrophobicContact CB-CG 4.42Å; V147-L246 HydrophobicContact CG1-CD2 4.18Å; V147-L246 HydrophobicContact CG1-CG 4.44Å; V147-L246 HydrophobicContact CG2-CB 4.18Å; V147-L246 HydrophobicContact CG2-CD2 4.1Å; V147-L246 HydrophobicContact CG2-CG 3.97Å; V147-Q247 HydrophobicContact CG2-CB 4.38Å; V147-Q247 HydrophobicContact CG2-CG 3.54Å; V147-Q247 PolarHBondContact O-NE2 3.04Å; V147-V250 HydrophobicContact CG1-CG1 4.26Å; V147-V250 HydrophobicContact CG1-CG2 4.33Å; V147-V250 HydrophobicContact CG2-CG2 4.01Å; V147-L265 HydrophobicContact CG1-CD2 3.89Å
148	G	97.3	Very high	85	Confident	20 Å²	20	73.1 Å²	73.1	21%	0.206	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.3	168.7	0	0	0	0	0	110.3	T168 E243	G148-T168 PolarHBondContact N-O 2.91Å; G148-T168 PolarHBondContact O-N 3.22Å; G148-E243 VanDerWaalsContact CA-OE1 3.25Å; G148-E243 WeakPolarHBondContact CA-OE1 2.83Å
149	I	97.9	Very high	86.3	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.1	-178.5	-55.2	-168.2	0	0	0	108.5	Y165 K166 V167 F190 R239 L242 E243 L246	I149-Y165 HydrophobicContact CG2-CD1 4.31Å; I149-Y165 HydrophobicContact CG2-CG 4.23Å; I149-K166 WeakPolarHBondContact CA-O 3.41Å; I149-V167 HydrophobicContact CD1-CG2 4.21Å; I149-V167 HydrophobicContact CG1-CG2 4.26Å; I149-F190 HydrophobicContact CD1-CE1 3.66Å; I149-F190 HydrophobicContact CD1-CZ 3.9Å; I149-R239 HydrophobicContact CB-CG 4.42Å; I149-R239 HydrophobicContact CG2-CG 4.08Å; I149-R239 WeakPolarHBondContact O-CD 3.33Å; I149-R239 WeakPolarHBondContact O-CG 3.18Å; I149-R239 PolarHBondContact O-NH1 3.42Å; I149-L242 HydrophobicContact CD1-CB 3.87Å; I149-L242 WeakPolarHBondContact CD1-O 3.42Å; I149-E243 HydrophobicContact CB-CB 4.16Å; I149-E243 HydrophobicContact CD1-CB 4.33Å; I149-E243 HydrophobicContact CG1-CB 4.11Å; I149-E243 HydrophobicContact CG1-CG 4.5Å; I149-E243 PolarHBondContact N-OE1 3.02Å; I149-L246 HydrophobicContact CD1-CB 4.36Å; I149-L246 HydrophobicContact CD1-CD2 4.09Å; I149-L246 HydrophobicContact CG1-CD2 4.49Å
150	T	96.3	Very high	87.6	Confident	51 Å²	51	75 Å²	75	31%	0.313	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	-171.7	-177.4	75.7	0	0	0	0	111.5	K166	T150-K166 PolarHBondContact N-O 3.07Å; T150-K166 PolarHBondContact O-N 3.33Å
151	D	93.1	Very high	88.6	Confident	82 Å²	82	70.3 Å²	70.3	44%	0.439	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50	64.1	165.8	-47.8	9.9	0	0	0	113.5	E153 K166	D151-E153 PolarHBondContact O-N 3.02Å; D151-K166 HydrophobicContact CB-CB 3.97Å; D151-K166 HydrophobicContact CB-CD 3.99Å; D151-K166 IonicContact OD1-NZ 3.6Å; D151-K166 WeakPolarHBondContact OD2-CD 3.49Å; D151-K166 WeakPolarHBondContact OD2-CE 3.35Å; D151-K166 IonicContact OD2-NZ 3.85Å; D151-K166 PolarHBondContact OD2-NZ 2.88Å
152	P	92.6	Very high	89.4	Confident	53 Å²	53	71.6 Å²	71.6	34%	0.344	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	109.6	176.2	28.7	-33.8	0	0	0	110.9	V163 A164 Y165 L235	P152-V163 HydrophobicContact CB-CG1 4.26Å; P152-A164 CarbonylContact C-O 3.6Å; P152-A164 WeakPolarHBondContact CA-O 3.4Å; P152-Y165 HydrophobicContact CB-CD1 4Å; P152-Y165 HydrophobicContact CB-CE1 3.9Å; P152-L235 HydrophobicContact CB-CB 4.36Å; P152-L235 HydrophobicContact CG-CB 4.49Å
153	E	91.4	Very high	90.2	Very high	79 Å²	79	65 Å²	65	37%	0.369	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129	-167.9	-176.3	-174.1	140.4	0	0	111.3	D151 I155 V163 A164 K184	D151-E153 PolarHBondContact O-N 3.02Å; E153-I155 HydrophobicContact CG-CG1 4.27Å; E153-I155 PolarHBondContact O-N 2.99Å; E153-V163 CarbonylContact O-C 3.53Å; E153-V163 WeakPolarHBondContact O-CA 3.26Å; E153-A164 PolarHBondContact N-O 2.93Å; E153-A164 PolarHBondContact O-N 3.03Å; E153-K184 IonicContact OE1-NZ 3.74Å; E153-K184 PolarHBondContact OE1-NZ 3.37Å; E153-K184 VanDerWaalsContact OE2-CE 3.31Å; E153-K184 WeakPolarHBondContact OE2-CE 3.49Å; E153-K184 IonicContact OE2-NZ 3.72Å; E153-K184 PolarHBondContact OE2-NZ 2.96Å
154	K	90.5	Very high	90.5	Very high	94 Å²	94	62.4 Å²	62.4	41%	0.409	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	114.1	174.1	-176.5	172.1	178.8	167.8	0	110	Y162 V222	K154-Y162 WeakPolarHBondContact CA-O 3.49Å; K154-V222 PolarHBondContact NZ-O 3.21Å
155	I	90	Very high	90.8	Very high	44 Å²	44	58 Å²	58	23%	0.226	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.8	179.3	-57.6	-173.6	0	0	0	109.8	E153 A161 Y162 A164 K184	E153-I155 HydrophobicContact CG-CG1 4.27Å; E153-I155 PolarHBondContact O-N 2.99Å; I155-A161 WeakPolarHBondContact O-CA 3.34Å; I155-Y162 HydrophobicContact CB-CD2 4.44Å; I155-Y162 HydrophobicContact CB-CE1 4.23Å; I155-Y162 HydrophobicContact CB-CE2 3.98Å; I155-Y162 HydrophobicContact CD1-CE2 4.15Å; I155-Y162 HydrophobicContact CG1-CE2 4.43Å; I155-Y162 HydrophobicContact CG2-CE1 4.09Å; I155-Y162 HydrophobicContact CG2-CE2 4.41Å; I155-Y162 PolarHBondContact N-O 3.39Å; I155-Y162 PolarHBondContact O-N 3Å; I155-A164 HydrophobicContact CD1-CB 3.53Å; I155-A164 HydrophobicContact CG1-CB 4.15Å; I155-K184 HydrophobicContact CD1-CD 4.28Å
156	G	88.3	Confident	90.9	Very high	53 Å²	53	61.1 Å²	61.1	55%	0.546	35%	0.346	S	S	.	.	S	Bend	trans	78.1	170.6	-179.8	0	0	0	0	0	114.3	A161	G156-A161 VanDerWaalsContact O-CB 3.31Å; G156-A161 WeakPolarHBondContact O-CB 3.45Å
157	D	82.9	Confident	91.2	Very high	140 Å²	140	56.8 Å²	56.8	75%	0.749	32%	0.319	S	S	*	.	S	Bend	trans	-109.5	175.6	177.7	77.8	51.8	0	0	0	113.7	N160 A161	D157-N160 PolarHBondContact O-N 3.45Å; D157-A161 PolarHBondContact O-N 2.85Å
158	G	81.8	Confident	91.2	Very high	54 Å²	54	58.1 Å²	58.1	56%	0.557	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	56.5	-141.6	167.8	0	0	0	0	0	114.5	N160 A161	G158-N160 VanDerWaalsContact C-N 3.26Å; G158-N160 PolarHBondContact O-N 2.96Å; G158-A161 PolarHBondContact O-N 3.29Å
159	M	78.8	Confident	91.3	Very high	175 Å²	175	57.1 Å²	57.1	86%	0.862	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-67.4	-27.5	-178.3	-59.5	-179.2	81.7	0	0	112.5	K223	M159-K223 PolarHBondContact O-NZ 3Å
160	N	82.5	Confident	91.2	Very high	142 Å²	142	62 Å²	62	76%	0.759	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-84.3	-15.1	-177.3	-72.7	-46.1	0	0	0	113.9	D157 G158	D157-N160 PolarHBondContact O-N 3.45Å; G158-N160 VanDerWaalsContact C-N 3.26Å; G158-N160 PolarHBondContact O-N 2.96Å
161	A	86.6	Confident	91.2	Very high	4 Å²	4	60 Å²	60	3%	0.033	33%	0.328	C	S	.	.			trans	-51.5	139.1	177.7	0	0	0	0	0	112.7	I155 G156 D157 G158 K223	I155-A161 WeakPolarHBondContact O-CA 3.34Å; G156-A161 VanDerWaalsContact O-CB 3.31Å; G156-A161 WeakPolarHBondContact O-CB 3.45Å; D157-A161 PolarHBondContact O-N 2.85Å; G158-A161 PolarHBondContact O-N 3.29Å; A161-K223 WeakPolarHBondContact O-CE 3.28Å; A161-K223 PolarHBondContact O-NZ 2.96Å; A161-K223 VanDerWaalsContact O-NZ 3.11Å
162	Y	88.7	Confident	91.2	Very high	97 Å²	97	59.1 Å²	59.1	38%	0.38	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	167.7	175.6	64.9	-91.5	0	0	0	111.4	K154 I155 A164 R186	K154-Y162 WeakPolarHBondContact CA-O 3.49Å; I155-Y162 HydrophobicContact CB-CD2 4.44Å; I155-Y162 HydrophobicContact CB-CE1 4.23Å; I155-Y162 HydrophobicContact CB-CE2 3.98Å; I155-Y162 HydrophobicContact CD1-CE2 4.15Å; I155-Y162 HydrophobicContact CG1-CE2 4.43Å; I155-Y162 HydrophobicContact CG2-CE1 4.09Å; I155-Y162 HydrophobicContact CG2-CE2 4.41Å; I155-Y162 PolarHBondContact N-O 3.39Å; I155-Y162 PolarHBondContact O-N 3Å; Y162-A164 HydrophobicContact CE2-CB 4.22Å; Y162-R186 HydrophobicContact CD2-CB 3.37Å; Y162-R186 HydrophobicContact CD2-CG 4.05Å; Y162-R186 HydrophobicContact CE2-CB 3.72Å; Y162-R186 HydrophobicContact CE2-CG 4.34Å; Y162-R186 HydrophobicContact CG-CB 4.3Å
163	V	92	Very high	91.2	Very high	24 Å²	24	58.2 Å²	58.2	15%	0.145	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.3	174	-176.3	0	0	0	0	108.8	P152 E153 Y165 R186 V222 L235	P152-V163 HydrophobicContact CB-CG1 4.26Å; E153-V163 CarbonylContact O-C 3.53Å; E153-V163 WeakPolarHBondContact O-CA 3.26Å; V163-Y165 HydrophobicContact CB-CE2 4.35Å; V163-Y165 HydrophobicContact CG1-CE1 4.28Å; V163-Y165 HydrophobicContact CG1-CE2 3.91Å; V163-R186 WeakPolarHBondContact O-CA 3.5Å; V163-R186 WeakPolarHBondContact O-CB 3.36Å; V163-V222 HydrophobicContact CG2-CG1 3.67Å; V163-L235 HydrophobicContact CB-CD2 4.44Å; V163-L235 HydrophobicContact CG1-CD2 3.91Å; V163-L235 HydrophobicContact CG2-CD2 3.97Å
164	A	94.1	Very high	91.2	Very high	3 Å²	3	60.8 Å²	60.8	3%	0.025	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	153.3	165.5	0	0	0	0	0	110.2	P152 E153 I155 Y162 K184 R185	P152-A164 CarbonylContact C-O 3.6Å; P152-A164 WeakPolarHBondContact CA-O 3.4Å; E153-A164 PolarHBondContact N-O 2.93Å; E153-A164 PolarHBondContact O-N 3.03Å; I155-A164 HydrophobicContact CD1-CB 3.53Å; I155-A164 HydrophobicContact CG1-CB 4.15Å; Y162-A164 HydrophobicContact CE2-CB 4.22Å; A164-K184 HydrophobicContact CB-CB 4.36Å; A164-R185 CarbonylContact C-O 3.52Å; A164-R185 WeakPolarHBondContact CA-O 3.33Å
165	Y	96.9	Very high	91.2	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.012	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.8	172	-55.2	-96.9	0	0	0	107.7	I149 P152 V163 V167 K184 R185 F187 R238 R239 L242	I149-Y165 HydrophobicContact CG2-CD1 4.31Å; I149-Y165 HydrophobicContact CG2-CG 4.23Å; P152-Y165 HydrophobicContact CB-CD1 4Å; P152-Y165 HydrophobicContact CB-CE1 3.9Å; V163-Y165 HydrophobicContact CB-CE2 4.35Å; V163-Y165 HydrophobicContact CG1-CE1 4.28Å; V163-Y165 HydrophobicContact CG1-CE2 3.91Å; Y165-V167 PolarHBondContact O-N 2.97Å; Y165-K184 WeakPolarHBondContact O-CA 3.48Å; Y165-R185 PolarHBondContact N-O 3.42Å; Y165-R185 PolarHBondContact O-N 3.09Å; Y165-F187 HydrophobicContact CE2-CB 4.49Å; Y165-R238 VanDerWaalsContact OH-CD 3.22Å; Y165-R238 WeakPolarHBondContact OH-CD 3.18Å; Y165-R238 WeakPolarHBondContact OH-CG 3.37Å; Y165-R239 HydrophobicContact CD1-CB 4.15Å; Y165-R239 HydrophobicContact CD1-CG 4.29Å; Y165-R239 HydrophobicContact CE1-CB 4.1Å; Y165-L242 HydrophobicContact CD2-CD1 4.01Å; Y165-L242 HydrophobicContact CE1-CD1 4.49Å; Y165-L242 HydrophobicContact CE2-CD1 3.93Å; Y165-L242 HydrophobicContact CG-CD1 4.38Å
166	K	97.6	Very high	91.3	Very high	73 Å²	73	57.1 Å²	57.1	32%	0.317	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	103.8	176.3	176.2	-171.1	173.1	-164.7	0	109.1	I149 T150 D151 A182	I149-K166 WeakPolarHBondContact CA-O 3.41Å; T150-K166 PolarHBondContact N-O 3.07Å; T150-K166 PolarHBondContact O-N 3.33Å; D151-K166 HydrophobicContact CB-CB 3.97Å; D151-K166 HydrophobicContact CB-CD 3.99Å; D151-K166 IonicContact OD1-NZ 3.6Å; D151-K166 WeakPolarHBondContact OD2-CD 3.49Å; D151-K166 WeakPolarHBondContact OD2-CE 3.35Å; D151-K166 IonicContact OD2-NZ 3.85Å; D151-K166 PolarHBondContact OD2-NZ 2.88Å; K166-A182 HydrophobicContact CG-CB 4.27Å
167	V	98.3	Very high	91.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	114.2	172.2	179.8	0	0	0	0	107.6	I149 Y165 A182 V183 R185 F190 L246 F264 L265	I149-V167 HydrophobicContact CD1-CG2 4.21Å; I149-V167 HydrophobicContact CG1-CG2 4.26Å; Y165-V167 PolarHBondContact O-N 2.97Å; V167-A182 CarbonylContact O-C 3.27Å; V167-A182 WeakPolarHBondContact O-CA 3.27Å; V167-V183 HydrophobicContact CB-CG2 4.07Å; V167-V183 PolarHBondContact N-O 2.94Å; V167-V183 PolarHBondContact O-N 3.3Å; V167-R185 HydrophobicContact CB-CG 4.5Å; V167-R185 HydrophobicContact CG2-CB 4.09Å; V167-R185 HydrophobicContact CG2-CG 3.81Å; V167-F190 HydrophobicContact CG2-CE1 4.3Å; V167-F190 HydrophobicContact CG2-CZ 3.83Å; V167-L246 HydrophobicContact CG1-CD2 3.51Å; V167-L246 HydrophobicContact CG2-CD2 4.45Å; V167-F264 HydrophobicContact CG2-CE1 4.47Å; V167-L265 HydrophobicContact CG1-CD2 4.04Å
168	T	98.1	Very high	92	Very high	29 Å²	29	60.7 Å²	60.7	18%	0.178	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.9	176.4	-57.3	0	0	0	0	109.1	V147 G148 A182	V147-T168 WeakPolarHBondContact CA-O 3.48Å; G148-T168 PolarHBondContact N-O 2.91Å; G148-T168 PolarHBondContact O-N 3.22Å; T168-A182 HydrophobicContact CG2-CB 4.35Å
169	T	98	Very high	92.6	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.9	178.8	-48.3	0	0	0	0	109.9	L145 T146 V147 Q180 F181	L145-T169 HydrophobicContact CD1-CG2 4.08Å; L145-T169 HydrophobicContact CD2-CG2 4.19Å; L145-T169 HydrophobicContact CG-CG2 3.97Å; T146-T169 WeakPolarHBondContact O-CA 3.36Å; V147-T169 HydrophobicContact CG1-CG2 4.1Å; T169-Q180 WeakPolarHBondContact O-CA 3.23Å; T169-F181 HydrophobicContact CG2-CE1 4.2Å; T169-F181 HydrophobicContact CG2-CE2 4.11Å; T169-F181 HydrophobicContact CG2-CZ 3.65Å; T169-F181 PolarHBondContact N-O 2.83Å; T169-F181 PolarHBondContact O-N 3.36Å; T169-F181 VanDerWaalsContact O-N 3.12Å
170	Q	97.2	Very high	93.4	Very high	101 Å²	101	63.2 Å²	63.2	47%	0.472	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.6	170.8	-65.2	-178.7	46.9	0	0	108.6	L145 T146 K179 Q180	L145-Q170 CarbonylContact C-O 3.59Å; L145-Q170 WeakPolarHBondContact CA-O 3.5Å; T146-Q170 PolarHBondContact N-O 3.27Å; T146-Q170 PolarHBondContact O-N 2.98Å; Q170-K179 CarbonylContact C-O 3.53Å; Q170-K179 WeakPolarHBondContact CA-O 3.49Å; Q170-Q180 HydrophobicContact CG-CB 4.4Å; Q170-Q180 HydrophobicContact CG-CG 3.95Å
171	T	95.6	Very high	94.1	Very high	11 Å²	11	57.9 Å²	57.9	7%	0.067	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	154.1	-174.8	-175.7	0	0	0	0	112.9	D144 L145 L173 F176 K179 F181	D144-T171 VanDerWaalsContact O-CA 3.23Å; D144-T171 WeakPolarHBondContact O-CA 3.31Å; D144-T171 VanDerWaalsContact O-CB 3.32Å; D144-T171 WeakPolarHBondContact O-CB 3.47Å; D144-T171 PolarHBondContact O-OG1 3.32Å; L145-T171 HydrophobicContact CD1-CG2 4.4Å; T171-L173 WeakPolarHBondContact OG1-CB 3.42Å; T171-L173 VanDerWaalsContact OG1-CG 3.3Å; T171-L173 WeakPolarHBondContact OG1-CG 3.38Å; T171-L173 PolarHBondContact OG1-N 3.02Å; T171-F176 HydrophobicContact CG2-CB 4.35Å; T171-F176 HydrophobicContact CG2-CD2 3.7Å; T171-F176 HydrophobicContact CG2-CE2 4.33Å; T171-F176 HydrophobicContact CG2-CG 4.21Å; T171-K179 PolarHBondContact N-O 3.32Å; T171-K179 VanDerWaalsContact O-CA 3.25Å; T171-K179 WeakPolarHBondContact O-CA 3.41Å; T171-K179 WeakPolarHBondContact O-CB 3.43Å; T171-F181 HydrophobicContact CG2-CE1 4.42Å
172	S	93.2	Very high	94.6	Very high	62 Å²	62	60.3 Å²	60.3	43%	0.434	31%	0.307	S	S	.	.			trans	-99.8	-3.6	164	68.8	0	0	0	0	114.3	D144	D144-S172 PolarHBondContact O-N 3.29Å; D144-S172 WeakPolarHBondContact OD2-CB 3.22Å; D144-S172 PolarHBondContact OD2-OG 3.18Å
173	L	92.9	Very high	95	Very high	34 Å²	34	56.3 Å²	56.3	18%	0.178	29%	0.293	C	S	.	.			trans	-64.6	130	-173.3	-63.1	172.9	0	0	0	111.8	F143 L145 T171 L175 F176 L256	F143-L173 HydrophobicContact CB-CD1 4.33Å; L145-L173 HydrophobicContact CB-CD1 3.98Å; L145-L173 HydrophobicContact CD1-CD1 4.12Å; T171-L173 WeakPolarHBondContact OG1-CB 3.42Å; T171-L173 VanDerWaalsContact OG1-CG 3.3Å; T171-L173 WeakPolarHBondContact OG1-CG 3.38Å; T171-L173 PolarHBondContact OG1-N 3.02Å; L173-L175 HydrophobicContact CB-CD2 4.06Å; L173-L175 HydrophobicContact CB-CG 4.25Å; L173-L175 HydrophobicContact CD1-CD2 4.13Å; L173-L175 PolarHBondContact O-N 2.67Å; L173-F176 HydrophobicContact CB-CD2 4.32Å; L173-F176 HydrophobicContact CD1-CE2 4.41Å; L173-F176 PolarHBondContact O-N 3.37Å; L173-L256 HydrophobicContact CD1-CD1 4.31Å; L173-L256 HydrophobicContact CD1-CD2 3.92Å
174	P	91.4	Very high	95.2	Very high	133 Å²	133	60.3 Å²	60.3	86%	0.864	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	4	-175.6	31.4	-37.6	0	0	0	114.4
175	L	90.6	Very high	95.4	Very high	46 Å²	46	60.3 Å²	60.3	24%	0.241	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.8	179.7	73.7	101.1	0	0	0	113.7	L173 R262	L173-L175 HydrophobicContact CB-CD2 4.06Å; L173-L175 HydrophobicContact CB-CG 4.25Å; L173-L175 HydrophobicContact CD1-CD2 4.13Å; L173-L175 PolarHBondContact O-N 2.67Å; L175-R262 WeakPolarHBondContact O-CD 3.47Å; L175-R262 PolarHBondContact O-NE 2.64Å
176	F	92.2	Very high	95.2	Very high	16 Å²	16	62.6 Å²	62.6	7%	0.07	32%	0.316	C	S	.	.	S	Bend	trans	-109.8	152.4	172.4	-58.5	-85.1	0	0	0	110.6	L145 T171 L173 S178 F181 L256 R262 L265	L145-F176 HydrophobicContact CD1-CD2 4.24Å; L145-F176 HydrophobicContact CD1-CE2 3.29Å; L145-F176 HydrophobicContact CD1-CZ 3.55Å; T171-F176 HydrophobicContact CG2-CB 4.35Å; T171-F176 HydrophobicContact CG2-CD2 3.7Å; T171-F176 HydrophobicContact CG2-CE2 4.33Å; T171-F176 HydrophobicContact CG2-CG 4.21Å; L173-F176 HydrophobicContact CB-CD2 4.32Å; L173-F176 HydrophobicContact CD1-CE2 4.41Å; L173-F176 PolarHBondContact O-N 3.37Å; F176-S178 VanDerWaalsContact C-N 3.35Å; F176-S178 PolarHBondContact O-N 3.38Å; F176-F181 HydrophobicContact CB-CE1 3.93Å; F176-F181 HydrophobicContact CB-CZ 4.27Å; F176-F181 HydrophobicContact CD1-CE1 4.08Å; F176-F181 HydrophobicContact CD1-CE2 4.5Å; F176-F181 AromaticContact CD1-CZ 3.53Å; F176-F181 HydrophobicContact CD1-CZ 3.53Å; F176-F181 HydrophobicContact CE1-CZ 4.04Å; F176-F181 HydrophobicContact CG-CE1 4.11Å; F176-F181 AromaticContact CG-CZ 3.99Å; F176-F181 HydrophobicContact CG-CZ 3.99Å; F176-L256 HydrophobicContact CE2-CD1 4.49Å; F176-L256 HydrophobicContact CZ-CD1 4.43Å; F176-R262 HydrophobicContact CD1-CG 4.03Å; F176-R262 HydrophobicContact CE1-CG 3.94Å; F176-L265 HydrophobicContact CE1-CB 4.2Å; F176-L265 HydrophobicContact CE1-CD1 3.84Å; F176-L265 HydrophobicContact CZ-CD1 3.85Å
177	R	91.4	Very high	95	Very high	203 Å²	203	59.9 Å²	59.9	77%	0.766	30%	0.304	S	S	*	.	S	Bend	trans	-74.7	-25	-177.6	-56.1	170.4	-168.4	85.9	-3.1	113.5	E266	R177-E266 WeakPolarHBondContact CB-OE1 3.35Å; R177-E266 WeakPolarHBondContact CD-OE1 3.08Å; R177-E266 WeakPolarHBondContact CG-OE1 3.25Å; R177-E266 IonicContact CZ-OE1 2.73Å; R177-E266 PolarHBondContact N-OE1 3.27Å; R177-E266 IonicContact NE-OE1 2.79Å; R177-E266 IonicContact NH1-OE1 2.91Å; R177-E266 PolarHBondContact NH1-OE1 3.39Å; R177-E266 IonicContact NH1-OE2 2.72Å; R177-E266 PolarHBondContact NH1-OE2 2.7Å
178	S	93.7	Very high	94.7	Very high	64 Å²	64	60.9 Å²	60.9	45%	0.448	31%	0.312	S	S	.	.			trans	-133.1	143.9	-173.4	-68.9	0	0	0	0	111	F176 Q180 F181	F176-S178 VanDerWaalsContact C-N 3.35Å; F176-S178 PolarHBondContact O-N 3.38Å; S178-Q180 VanDerWaalsContact C-N 3.29Å; S178-Q180 PolarHBondContact O-N 3.04Å; S178-F181 VanDerWaalsContact O-CD1 3.3Å; S178-F181 WeakPolarHBondContact O-CD1 3.46Å; S178-F181 VanDerWaalsContact O-CE1 3.28Å; S178-F181 WeakPolarHBondContact O-CE1 3.36Å
179	K	94.9	Very high	94.5	Very high	159 Å²	159	60.3 Å²	60.3	69%	0.691	31%	0.307	S	S	*	.	S	Bend	trans	-71.5	-21.9	177.1	-66.4	-168	175.3	-168.8	0	114.3	Q170 T171	Q170-K179 CarbonylContact C-O 3.53Å; Q170-K179 WeakPolarHBondContact CA-O 3.49Å; T171-K179 PolarHBondContact N-O 3.32Å; T171-K179 VanDerWaalsContact O-CA 3.25Å; T171-K179 WeakPolarHBondContact O-CA 3.41Å; T171-K179 WeakPolarHBondContact O-CB 3.43Å
180	Q	96.7	Very high	94.5	Very high	124 Å²	124	60.3 Å²	60.3	58%	0.579	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.8	134.1	175.3	-178.9	170.9	21.5	0	0	109.1	T169 Q170 S178	T169-Q180 WeakPolarHBondContact O-CA 3.23Å; Q170-Q180 HydrophobicContact CG-CB 4.4Å; Q170-Q180 HydrophobicContact CG-CG 3.95Å; S178-Q180 VanDerWaalsContact C-N 3.29Å; S178-Q180 PolarHBondContact O-N 3.04Å
181	F	97.1	Very high	94.3	Very high	30 Å²	30	55.8 Å²	55.8	13%	0.132	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	164.1	178.6	51.4	-86.8	0	0	0	110.1	T169 T171 F176 S178 L265 E266	T169-F181 HydrophobicContact CG2-CE1 4.2Å; T169-F181 HydrophobicContact CG2-CE2 4.11Å; T169-F181 HydrophobicContact CG2-CZ 3.65Å; T169-F181 PolarHBondContact N-O 2.83Å; T169-F181 PolarHBondContact O-N 3.36Å; T169-F181 VanDerWaalsContact O-N 3.12Å; T171-F181 HydrophobicContact CG2-CE1 4.42Å; F176-F181 HydrophobicContact CB-CE1 3.93Å; F176-F181 HydrophobicContact CB-CZ 4.27Å; F176-F181 HydrophobicContact CD1-CE1 4.08Å; F176-F181 HydrophobicContact CD1-CE2 4.5Å; F176-F181 AromaticContact CD1-CZ 3.53Å; F176-F181 HydrophobicContact CD1-CZ 3.53Å; F176-F181 HydrophobicContact CE1-CZ 4.04Å; F176-F181 HydrophobicContact CG-CE1 4.11Å; F176-F181 AromaticContact CG-CZ 3.99Å; F176-F181 HydrophobicContact CG-CZ 3.99Å; S178-F181 VanDerWaalsContact O-CD1 3.3Å; S178-F181 WeakPolarHBondContact O-CD1 3.46Å; S178-F181 VanDerWaalsContact O-CE1 3.28Å; S178-F181 WeakPolarHBondContact O-CE1 3.36Å; F181-L265 HydrophobicContact CE2-CB 4.06Å; F181-L265 VanDerWaalsContact CE2-O 3.28Å; F181-L265 WeakPolarHBondContact CE2-O 3.1Å; F181-E266 HydrophobicContact CD2-CB 4.46Å; F181-E266 HydrophobicContact CD2-CG 4.09Å; F181-E266 HydrophobicContact CE1-CG 4.46Å; F181-E266 HydrophobicContact CE2-CB 4.01Å; F181-E266 HydrophobicContact CE2-CG 3.91Å; F181-E266 HydrophobicContact CG-CG 4.44Å; F181-E266 HydrophobicContact CZ-CB 4.42Å; F181-E266 HydrophobicContact CZ-CG 4.11Å
182	A	97.1	Very high	94.3	Very high	54 Å²	54	55.8 Å²	55.8	45%	0.446	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147	174.2	0	0	0	0	0	111.4	K166 V167 T168	K166-A182 HydrophobicContact CG-CB 4.27Å; V167-A182 CarbonylContact O-C 3.27Å; V167-A182 WeakPolarHBondContact O-CA 3.27Å; T168-A182 HydrophobicContact CG2-CB 4.35Å
183	V	97	Very high	94.4	Very high	13 Å²	13	53.1 Å²	53.1	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151.8	-179.4	-64.4	0	0	0	0	110.6	V167 R185 L265	V167-V183 HydrophobicContact CB-CG2 4.07Å; V167-V183 PolarHBondContact N-O 2.94Å; V167-V183 PolarHBondContact O-N 3.3Å; V183-R185 HydrophobicContact CG2-CG 4.18Å; V183-L265 WeakPolarHBondContact CG1-O 3.34Å; V183-L265 WeakPolarHBondContact CG2-O 3.2Å
184	K	96.4	Very high	94.6	Very high	109 Å²	109	52.2 Å²	52.2	47%	0.474	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.1	171.6	-66.4	-169	-175.1	-176.2	0	110.3	E153 I155 A164 Y165	E153-K184 IonicContact OE1-NZ 3.74Å; E153-K184 PolarHBondContact OE1-NZ 3.37Å; E153-K184 VanDerWaalsContact OE2-CE 3.31Å; E153-K184 WeakPolarHBondContact OE2-CE 3.49Å; E153-K184 IonicContact OE2-NZ 3.72Å; E153-K184 PolarHBondContact OE2-NZ 2.96Å; I155-K184 HydrophobicContact CD1-CD 4.28Å; A164-K184 HydrophobicContact CB-CB 4.36Å; Y165-K184 WeakPolarHBondContact O-CA 3.48Å
185	R	96.4	Very high	94.7	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.011	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	132	179.4	-63.4	-63.9	176.8	-115.8	10.1	110.9	A164 Y165 V167 V183 F190 E263 F264 K267 E268	A164-R185 CarbonylContact C-O 3.52Å; A164-R185 WeakPolarHBondContact CA-O 3.33Å; Y165-R185 PolarHBondContact N-O 3.42Å; Y165-R185 PolarHBondContact O-N 3.09Å; V167-R185 HydrophobicContact CB-CG 4.5Å; V167-R185 HydrophobicContact CG2-CB 4.09Å; V167-R185 HydrophobicContact CG2-CG 3.81Å; V183-R185 HydrophobicContact CG2-CG 4.18Å; R185-F190 HydrophobicContact CB-CD2 4.42Å; R185-F190 HydrophobicContact CB-CE2 3.63Å; R185-F190 HydrophobicContact CB-CZ 3.99Å; R185-E263 PolarHBondContact NH2-O 3.29Å; R185-F264 HydrophobicContact CB-CE2 4.34Å; R185-F264 HydrophobicContact CB-CZ 4.05Å; R185-F264 HydrophobicContact CG-CE1 4.23Å; R185-F264 HydrophobicContact CG-CE2 3.93Å; R185-F264 HydrophobicContact CG-CZ 3.66Å; R185-F264 PolarHBondContact NE-O 2.84Å; R185-F264 PolarHBondContact NH2-O 3.48Å; R185-K267 PolarHBondContact NH1-O 3.11Å; R185-K267 PolarHBondContact NH2-O 3.19Å; R185-E268 PolarHBondContact NH1-O 2.54Å
186	R	93.3	Very high	94.9	Very high	50 Å²	50	50.4 Å²	50.4	19%	0.189	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	158	171.6	82	-133.1	161.4	87.5	21.8	110.1	Y162 V163 S188 D189 F190	Y162-R186 HydrophobicContact CD2-CB 3.37Å; Y162-R186 HydrophobicContact CD2-CG 4.05Å; Y162-R186 HydrophobicContact CE2-CB 3.72Å; Y162-R186 HydrophobicContact CE2-CG 4.34Å; Y162-R186 HydrophobicContact CG-CB 4.3Å; V163-R186 WeakPolarHBondContact O-CA 3.5Å; V163-R186 WeakPolarHBondContact O-CB 3.36Å; R186-S188 VanDerWaalsContact CG-OG 3.23Å; R186-S188 WeakPolarHBondContact CG-OG 3.25Å; R186-S188 PolarHBondContact NE-OG 2.72Å; R186-S188 PolarHBondContact NH1-OG 2.73Å; R186-S188 PolarHBondContact NH2-OG 3.17Å; R186-S188 PolarHBondContact O-N 3.31Å; R186-D189 WeakPolarHBondContact CD-OD2 3.32Å; R186-D189 VanDerWaalsContact CG-OD2 3.28Å; R186-D189 WeakPolarHBondContact CG-OD2 3.39Å; R186-D189 IonicContact CZ-OD1 2.75Å; R186-D189 VanDerWaalsContact CZ-OD1 3.25Å; R186-D189 PolarHBondContact N-OD2 2.97Å; R186-D189 IonicContact NE-OD1 3.07Å; R186-D189 PolarHBondContact NE-OD1 2.76Å; R186-D189 IonicContact NE-OD2 2.73Å; R186-D189 PolarHBondContact NE-OD2 2.99Å; R186-D189 IonicContact NH2-OD1 2.85Å; R186-D189 PolarHBondContact NH2-OD1 2.99Å; R186-D189 WeakPolarHBondContact O-CB 3.47Å; R186-D189 PolarHBondContact O-N 3.39Å; R186-F190 WeakPolarHBondContact O-CD2 3.11Å
187	F	93.1	Very high	95.2	Very high	16 Å²	16	49.7 Å²	49.7	7%	0.07	24%	0.238	C	C	.	.	H	α-helix	trans	-49.7	-38.6	-173.8	174.1	-124.9	0	0	0	114.6	Y165 D189 F190 L191 P212 K214 M219 R238 L242	Y165-F187 HydrophobicContact CE2-CB 4.49Å; F187-D189 PolarHBondContact O-N 3.05Å; F187-F190 PolarHBondContact O-N 3.21Å; F187-L191 HydrophobicContact CE1-CD1 4.27Å; F187-L191 HydrophobicContact CE2-CD2 4.39Å; F187-L191 HydrophobicContact CZ-CD1 4.46Å; F187-L191 HydrophobicContact CZ-CD2 4.23Å; F187-L191 PolarHBondContact O-N 2.99Å; F187-P212 HydrophobicContact CE2-CG 4.44Å; F187-P212 WeakPolarHBondContact CE2-O 3.36Å; F187-P212 WeakPolarHBondContact CZ-O 3.49Å; F187-K214 HydrophobicContact CE1-CG 3.96Å; F187-K214 HydrophobicContact CZ-CG 4.26Å; F187-M219 HydrophobicContact CD1-SD 4.29Å; F187-R238 VanDerWaalsContact CE1-NH2 3.32Å; F187-L242 HydrophobicContact CD2-CD1 4.23Å; F187-L242 HydrophobicContact CD2-CD2 3.97Å; F187-L242 HydrophobicContact CE2-CD2 4.23Å
188	S	92.2	Very high	95.4	Very high	22 Å²	22	41.1 Å²	41.1	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-19.8	177.3	53.3	0	0	0	0	115.1	R186 L191 G192	R186-S188 VanDerWaalsContact CG-OG 3.23Å; R186-S188 WeakPolarHBondContact CG-OG 3.25Å; R186-S188 PolarHBondContact NE-OG 2.72Å; R186-S188 PolarHBondContact NH1-OG 2.73Å; R186-S188 PolarHBondContact NH2-OG 3.17Å; R186-S188 PolarHBondContact O-N 3.31Å; S188-L191 WeakPolarHBondContact O-CB 3.13Å; S188-L191 PolarHBondContact O-N 3.39Å; S188-G192 PolarHBondContact O-N 3.49Å
189	D	94.8	Very high	95.4	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-78.4	-31.5	-177.3	-49.6	-27.4	0	0	0	109.9	R186 F187 L191 G192 L193 F264 L270	R186-D189 WeakPolarHBondContact CD-OD2 3.32Å; R186-D189 VanDerWaalsContact CG-OD2 3.28Å; R186-D189 WeakPolarHBondContact CG-OD2 3.39Å; R186-D189 IonicContact CZ-OD1 2.75Å; R186-D189 VanDerWaalsContact CZ-OD1 3.25Å; R186-D189 PolarHBondContact N-OD2 2.97Å; R186-D189 IonicContact NE-OD1 3.07Å; R186-D189 PolarHBondContact NE-OD1 2.76Å; R186-D189 IonicContact NE-OD2 2.73Å; R186-D189 PolarHBondContact NE-OD2 2.99Å; R186-D189 IonicContact NH2-OD1 2.85Å; R186-D189 PolarHBondContact NH2-OD1 2.99Å; R186-D189 WeakPolarHBondContact O-CB 3.47Å; R186-D189 PolarHBondContact O-N 3.39Å; F187-D189 PolarHBondContact O-N 3.05Å; D189-L191 VanDerWaalsContact C-N 3.33Å; D189-G192 PolarHBondContact O-N 2.95Å; D189-L193 PolarHBondContact O-N 2.87Å; D189-F264 HydrophobicContact CB-CE2 4.12Å; D189-L270 HydrophobicContact CB-CD1 4.14Å
190	F	96.6	Very high	95.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-36.8	166.1	-58.8	-103	0	0	0	111.4	I149 V167 R185 R186 F187 L193 Y194 L242 Y245 F264	I149-F190 HydrophobicContact CD1-CE1 3.66Å; I149-F190 HydrophobicContact CD1-CZ 3.9Å; V167-F190 HydrophobicContact CG2-CE1 4.3Å; V167-F190 HydrophobicContact CG2-CZ 3.83Å; R185-F190 HydrophobicContact CB-CD2 4.42Å; R185-F190 HydrophobicContact CB-CE2 3.63Å; R185-F190 HydrophobicContact CB-CZ 3.99Å; R186-F190 WeakPolarHBondContact O-CD2 3.11Å; F187-F190 PolarHBondContact O-N 3.21Å; F190-L193 PolarHBondContact O-N 3.41Å; F190-Y194 PolarHBondContact O-N 3.4Å; F190-L242 HydrophobicContact CB-CD2 4.02Å; F190-L242 HydrophobicContact CD1-CD2 3.75Å; F190-L242 HydrophobicContact CD2-CD1 4.36Å; F190-L242 HydrophobicContact CD2-CD2 4Å; F190-L242 HydrophobicContact CE1-CB 4.13Å; F190-L242 HydrophobicContact CE1-CD2 4.14Å; F190-L242 HydrophobicContact CE2-CD1 4.07Å; F190-L242 HydrophobicContact CE2-CD2 4.38Å; F190-L242 HydrophobicContact CG-CD2 3.68Å; F190-L242 HydrophobicContact CZ-CB 4.37Å; F190-L242 HydrophobicContact CZ-CD1 4.22Å; F190-L242 HydrophobicContact CZ-CD2 4.44Å; F190-Y245 HydrophobicContact CB-CE1 4.08Å; F190-Y245 AromaticContact CD1-CD1 3.99Å; F190-Y245 HydrophobicContact CD1-CD1 3.99Å; F190-Y245 AromaticContact CD1-CE1 3.91Å; F190-Y245 HydrophobicContact CD1-CE1 3.91Å; F190-F264 HydrophobicContact CD1-CE1 4.08Å; F190-F264 HydrophobicContact CD1-CE2 4.34Å; F190-F264 AromaticContact CD1-CZ 3.47Å; F190-F264 HydrophobicContact CD1-CZ 3.47Å; F190-F264 VanDerWaalsContact CD1-CZ 3.47Å; F190-F264 HydrophobicContact CD2-CE2 4.42Å; F190-F264 HydrophobicContact CD2-CZ 4.02Å; F190-F264 AromaticContact CE1-CE1 3.96Å; F190-F264 HydrophobicContact CE1-CE1 3.96Å; F190-F264 AromaticContact CE1-CZ 3.54Å; F190-F264 HydrophobicContact CE1-CZ 3.54Å; F190-F264 HydrophobicContact CE2-CZ 4.07Å; F190-F264 HydrophobicContact CG-CE2 4.19Å; F190-F264 AromaticContact CG-CZ 3.72Å; F190-F264 HydrophobicContact CG-CZ 3.72Å; F190-F264 HydrophobicContact CZ-CE1 4.5Å; F190-F264 AromaticContact CZ-CZ 3.84Å; F190-F264 HydrophobicContact CZ-CZ 3.84Å
191	L	94.6	Very high	95.4	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-65.1	-42.2	173.2	-56.3	-178.5	0	0	0	111.2	F187 S188 D189 Y194 E195 P211 K214 T276 L279	F187-L191 HydrophobicContact CE1-CD1 4.27Å; F187-L191 HydrophobicContact CE2-CD2 4.39Å; F187-L191 HydrophobicContact CZ-CD1 4.46Å; F187-L191 HydrophobicContact CZ-CD2 4.23Å; F187-L191 PolarHBondContact O-N 2.99Å; S188-L191 WeakPolarHBondContact O-CB 3.13Å; S188-L191 PolarHBondContact O-N 3.39Å; D189-L191 VanDerWaalsContact C-N 3.33Å; L191-Y194 PolarHBondContact O-N 3.18Å; L191-E195 WeakPolarHBondContact O-CB 3.21Å; L191-E195 PolarHBondContact O-N 2.7Å; L191-P211 HydrophobicContact CD2-CB 4.12Å; L191-P211 HydrophobicContact CD2-CG 3.64Å; L191-K214 HydrophobicContact CD1-CD 4.42Å; L191-K214 HydrophobicContact CD1-CG 4.3Å; L191-T276 HydrophobicContact CB-CG2 4.11Å; L191-L279 HydrophobicContact CB-CD1 3.97Å; L191-L279 VanDerWaalsContact O-CD1 3.24Å; L191-L279 WeakPolarHBondContact O-CD1 3.12Å
192	G	94.3	Very high	95.4	Very high	11 Å²	11	35.5 Å²	35.5	11%	0.113	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-34.9	174.9	0	0	0	0	0	113.5	S188 D189 K196	S188-G192 PolarHBondContact O-N 3.49Å; D189-G192 PolarHBondContact O-N 2.95Å; G192-K196 WeakPolarHBondContact O-CG 3.39Å; G192-K196 PolarHBondContact O-N 2.77Å
193	L	96.3	Very high	95.2	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-49.8	170.6	177.7	63.9	0	0	0	110.9	D189 F190 E195 K196 L197 L246 D260 V261 F264	D189-L193 PolarHBondContact O-N 2.87Å; F190-L193 PolarHBondContact O-N 3.41Å; L193-E195 VanDerWaalsContact C-N 3.35Å; L193-E195 PolarHBondContact O-N 3.27Å; L193-K196 PolarHBondContact O-N 2.73Å; L193-L197 HydrophobicContact CD1-CD1 3.86Å; L193-L197 HydrophobicContact CD1-CG 4.11Å; L193-L197 HydrophobicContact CG-CD1 3.87Å; L193-L197 HydrophobicContact CG-CG 4.44Å; L193-L197 WeakPolarHBondContact O-CG 3.33Å; L193-L197 PolarHBondContact O-N 2.82Å; L193-L246 HydrophobicContact CD2-CD1 4.35Å; L193-D260 HydrophobicContact CD1-CB 4.19Å; L193-V261 HydrophobicContact CD1-CG2 4.03Å; L193-F264 HydrophobicContact CB-CD2 4.08Å; L193-F264 HydrophobicContact CB-CG 4.43Å; L193-F264 HydrophobicContact CD1-CB 4.09Å; L193-F264 HydrophobicContact CD2-CB 4.11Å; L193-F264 HydrophobicContact CD2-CD1 3.86Å; L193-F264 HydrophobicContact CD2-CD2 4.15Å; L193-F264 HydrophobicContact CD2-CE1 4.37Å; L193-F264 HydrophobicContact CD2-CG 3.75Å; L193-F264 HydrophobicContact CG-CG 4.46Å
194	Y	96.1	Very high	95.2	Very high	14 Å²	14	41.4 Å²	41.4	6%	0.055	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-44.3	176.4	177.7	-101.7	0	0	0	112.3	F190 L191 K196 L197 S198 V208 P209 P210 P211 L279	F190-Y194 PolarHBondContact O-N 3.4Å; L191-Y194 PolarHBondContact O-N 3.18Å; Y194-K196 PolarHBondContact O-N 2.73Å; Y194-L197 PolarHBondContact O-N 3.37Å; Y194-S198 WeakPolarHBondContact CE2-OG 3.32Å; Y194-S198 VanDerWaalsContact CZ-OG 3.28Å; Y194-S198 WeakPolarHBondContact O-CB 3.37Å; Y194-S198 PolarHBondContact O-N 2.98Å; Y194-S198 PolarHBondContact O-OG 3.34Å; Y194-V208 HydrophobicContact CD2-CG1 3.84Å; Y194-V208 HydrophobicContact CE2-CB 4.48Å; Y194-V208 HydrophobicContact CE2-CG1 3.89Å; Y194-P209 VanDerWaalsContact CD2-O 3.23Å; Y194-P209 WeakPolarHBondContact CD2-O 3.48Å; Y194-P209 WeakPolarHBondContact CE2-O 3.41Å; Y194-P210 HydrophobicContact CE2-CB 4.23Å; Y194-P211 HydrophobicContact CD1-CG 4.33Å; Y194-P211 VanDerWaalsContact CD2-CD 3.4Å; Y194-P211 HydrophobicContact CD2-CG 4.44Å; Y194-P211 HydrophobicContact CG-CG 3.98Å; Y194-L279 HydrophobicContact CD1-CD1 4.09Å; Y194-L279 HydrophobicContact CD1-CD2 3.86Å; Y194-L279 HydrophobicContact CE1-CD2 3.85Å
195	E	94.2	Very high	95.2	Very high	62 Å²	62	36.2 Å²	36.2	29%	0.29	18%	0.178	S	C	.	.	H	α-helix	trans	-55.7	-51.4	178.7	-154.7	157.9	-168.5	0	0	111.4	L191 L193 L197 E199 L279	L191-E195 WeakPolarHBondContact O-CB 3.21Å; L191-E195 PolarHBondContact O-N 2.7Å; L193-E195 VanDerWaalsContact C-N 3.35Å; L193-E195 PolarHBondContact O-N 3.27Å; E195-L197 PolarHBondContact O-N 3.16Å; E195-E199 WeakPolarHBondContact O-CB 3.28Å; E195-E199 PolarHBondContact O-N 3.41Å; E195-E199 VanDerWaalsContact O-N 3.08Å; E195-L279 HydrophobicContact CB-CD1 3.89Å; E195-L279 HydrophobicContact CG-CD1 4.18Å
196	K	95.5	Very high	95.3	Very high	80 Å²	80	37.9 Å²	37.9	35%	0.348	19%	0.185	S	C	.	.	H	α-helix	trans	-62	-42.4	176.5	-67.1	-176.8	-176.2	-179.6	0	112.8	G192 L193 Y194 K200 D260 E263	G192-K196 WeakPolarHBondContact O-CG 3.39Å; G192-K196 PolarHBondContact O-N 2.77Å; L193-K196 PolarHBondContact O-N 2.73Å; Y194-K196 PolarHBondContact O-N 2.73Å; K196-K200 WeakPolarHBondContact O-CE 3.45Å; K196-K200 WeakPolarHBondContact O-CG 3.17Å; K196-K200 PolarHBondContact O-N 3.26Å; K196-D260 HydrophobicContact CD-CB 3.97Å; K196-D260 WeakPolarHBondContact CD-OD1 3.02Å; K196-D260 WeakPolarHBondContact CE-OD1 3.42Å; K196-D260 IonicContact NZ-OD1 2.69Å; K196-D260 PolarHBondContact NZ-OD1 2.91Å; K196-E263 IonicContact NZ-OE2 3.43Å; K196-E263 PolarHBondContact NZ-OE2 3.46Å
197	L	96.9	Very high	95.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-70.6	-41.8	-178	-69.9	176.7	0	0	0	111.9	L193 Y194 E195 K200 H201 V208 I249 M255 D258 V261	L193-L197 HydrophobicContact CD1-CD1 3.86Å; L193-L197 HydrophobicContact CD1-CG 4.11Å; L193-L197 HydrophobicContact CG-CD1 3.87Å; L193-L197 HydrophobicContact CG-CG 4.44Å; L193-L197 WeakPolarHBondContact O-CG 3.33Å; L193-L197 PolarHBondContact O-N 2.82Å; Y194-L197 PolarHBondContact O-N 3.37Å; E195-L197 PolarHBondContact O-N 3.16Å; L197-K200 PolarHBondContact O-N 3.29Å; L197-H201 VanDerWaalsContact O-CB 3.31Å; L197-H201 WeakPolarHBondContact O-CB 3.26Å; L197-H201 PolarHBondContact O-CD2 3.22Å; L197-H201 PolarHBondContact O-N 2.71Å; L197-V208 HydrophobicContact CB-CG1 3.88Å; L197-I249 HydrophobicContact CD1-CD1 3.92Å; L197-I249 HydrophobicContact CD1-CG2 4.11Å; L197-M255 HydrophobicContact CD1-CG 4.46Å; L197-M255 HydrophobicContact CD1-SD 4.16Å; L197-M255 HydrophobicContact CD2-CG 4.32Å; L197-D258 HydrophobicContact CD2-CB 3.98Å; L197-V261 HydrophobicContact CD1-CG2 3.88Å; L197-V261 HydrophobicContact CD2-CG2 4.19Å
198	S	95.3	Very high	95.7	Very high	24 Å²	24	35.1 Å²	35.1	17%	0.168	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-39.9	175.3	-70.6	0	0	0	0	112.6	Y194 K200 S202	Y194-S198 WeakPolarHBondContact CE2-OG 3.32Å; Y194-S198 VanDerWaalsContact CZ-OG 3.28Å; Y194-S198 WeakPolarHBondContact O-CB 3.37Å; Y194-S198 PolarHBondContact O-N 2.98Å; Y194-S198 PolarHBondContact O-OG 3.34Å; S198-K200 PolarHBondContact O-N 3.45Å; S198-S202 WeakPolarHBondContact CA-OG 3.36Å; S198-S202 WeakPolarHBondContact O-CB 3.45Å; S198-S202 PolarHBondContact O-N 2.66Å; S198-S202 VanDerWaalsContact O-N 3.1Å
199	E	94.2	Very high	95.9	Very high	143 Å²	143	34.5 Å²	34.5	67%	0.668	17%	0.17	S	C	*	.	H	α-helix	trans	-60.3	-44.4	175.9	-175.9	175.8	-159.5	0	0	111.8	E195 Q203	E195-E199 WeakPolarHBondContact O-CB 3.28Å; E195-E199 PolarHBondContact O-N 3.41Å; E195-E199 VanDerWaalsContact O-N 3.08Å; E199-Q203 PolarHBondContact O-NE2 3.33Å
200	K	95.6	Very high	95.9	Very high	66 Å²	66	34.2 Å²	34.2	29%	0.287	17%	0.169	S	C	.	.	H	α-helix	trans	-76.7	-43.6	-179.1	-68.7	178.1	-66	177.1	0	113.4	K196 L197 S198 N204 D258 D260	K196-K200 WeakPolarHBondContact O-CE 3.45Å; K196-K200 WeakPolarHBondContact O-CG 3.17Å; K196-K200 PolarHBondContact O-N 3.26Å; L197-K200 PolarHBondContact O-N 3.29Å; S198-K200 PolarHBondContact O-N 3.45Å; K200-N204 PolarHBondContact O-ND2 2.75Å; K200-D258 WeakPolarHBondContact CE-OD2 3.18Å; K200-D258 IonicContact NZ-OD1 3.13Å; K200-D258 PolarHBondContact NZ-OD1 3.46Å; K200-D258 IonicContact NZ-OD2 2.81Å; K200-D258 PolarHBondContact NZ-OD2 2.99Å; K200-D260 IonicContact NZ-OD2 3.14Å; K200-D260 PolarHBondContact NZ-OD2 3.4Å
201	H	97.5	Very high	95.8	Very high	25 Å²	25	34.7 Å²	34.7	12%	0.116	17%	0.173	C	C	.	.	H	α-helix	trans	-107.1	-40.2	-163.2	-58.8	-59.7	0	0	0	113.8	L197 Q203 N204 G205 F206 V208 D258	L197-H201 VanDerWaalsContact O-CB 3.31Å; L197-H201 WeakPolarHBondContact O-CB 3.26Å; L197-H201 PolarHBondContact O-CD2 3.22Å; L197-H201 PolarHBondContact O-N 2.71Å; H201-Q203 VanDerWaalsContact C-N 3.32Å; H201-Q203 PolarHBondContact O-N 3.11Å; H201-N204 WeakPolarHBondContact O-CA 3.21Å; H201-N204 WeakPolarHBondContact O-CB 3.09Å; H201-N204 PolarHBondContact O-N 2.87Å; H201-G205 PolarHBondContact O-N 3.21Å; H201-F206 HydrophobicContact CB-CB 3.84Å; H201-F206 HydrophobicContact CB-CD2 4Å; H201-F206 HydrophobicContact CB-CG 4.17Å; H201-F206 WeakPolarHBondContact O-CD2 3.48Å; H201-F206 PolarHBondContact O-N 3.3Å; H201-V208 HydrophobicContact CB-CG2 3.93Å; H201-D258 IonicContact CD2-OD2 3.94Å; H201-D258 IonicContact CE1-OD2 2.73Å; H201-D258 IonicContact NE2-OD2 3.72Å; H201-D258 PolarHBondContact NE2-OD2 3.48Å
202	S	95.7	Very high	95.6	Very high	24 Å²	24	35 Å²	35	17%	0.168	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-65.2	-33.5	-174.4	-60.2	0	0	0	0	113.3	S198 N204 G205 V208	S198-S202 WeakPolarHBondContact CA-OG 3.36Å; S198-S202 WeakPolarHBondContact O-CB 3.45Å; S198-S202 PolarHBondContact O-N 2.66Å; S198-S202 VanDerWaalsContact O-N 3.1Å; S202-N204 PolarHBondContact O-N 3.42Å; S202-G205 PolarHBondContact O-N 2.86Å; S202-G205 VanDerWaalsContact O-N 3.14Å; S202-V208 WeakPolarHBondContact OG-CG2 3.49Å
203	Q	93.6	Very high	95.1	Very high	121 Å²	121	39.4 Å²	39.4	57%	0.565	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-64.8	-19	173.4	65	173.2	-39.7	0	0	113.8	E199 H201	E199-Q203 PolarHBondContact O-NE2 3.33Å; H201-Q203 VanDerWaalsContact C-N 3.32Å; H201-Q203 PolarHBondContact O-N 3.11Å
204	N	96	Very high	94.4	Very high	70 Å²	70	40.8 Å²	40.8	37%	0.374	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-96.1	4.4	177.4	-69.3	-64.2	0	0	0	113	K200 H201 S202 F206 V473	K200-N204 PolarHBondContact O-ND2 2.75Å; H201-N204 WeakPolarHBondContact O-CA 3.21Å; H201-N204 WeakPolarHBondContact O-CB 3.09Å; H201-N204 PolarHBondContact O-N 2.87Å; S202-N204 PolarHBondContact O-N 3.42Å; N204-F206 HydrophobicContact CB-CD2 4.07Å; N204-F206 HydrophobicContact CB-CE2 4.2Å; N204-V473 WeakPolarHBondContact O-CG1 3.4Å
205	G	96.5	Very high	93.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.8	-0.6	176.7	0	0	0	0	0	115.8	H201 S202	H201-G205 PolarHBondContact O-N 3.21Å; S202-G205 PolarHBondContact O-N 2.86Å; S202-G205 VanDerWaalsContact O-N 3.14Å
206	F	98.2	Very high	92.4	Very high	38 Å²	38	45.3 Å²	45.3	17%	0.167	23%	0.228	C	C	.	.			trans	-74.4	137.1	-179.4	-68.9	-82.4	0	0	0	112.9	H201 N204 V208 T254 V473 E477	H201-F206 HydrophobicContact CB-CB 3.84Å; H201-F206 HydrophobicContact CB-CD2 4Å; H201-F206 HydrophobicContact CB-CG 4.17Å; H201-F206 WeakPolarHBondContact O-CD2 3.48Å; H201-F206 PolarHBondContact O-N 3.3Å; N204-F206 HydrophobicContact CB-CD2 4.07Å; N204-F206 HydrophobicContact CB-CE2 4.2Å; F206-V208 PolarHBondContact O-N 2.63Å; F206-V208 VanDerWaalsContact O-N 3.15Å; F206-T254 HydrophobicContact CD1-CG2 4.44Å; F206-T254 HydrophobicContact CE1-CG2 4.01Å; F206-T254 VanDerWaalsContact CE1-OG1 3.28Å; F206-T254 WeakPolarHBondContact CE1-OG1 3.47Å; F206-T254 HydrophobicContact CE2-CG2 4.42Å; F206-T254 HydrophobicContact CZ-CG2 4Å; F206-V473 HydrophobicContact CD1-CG1 4.04Å; F206-V473 HydrophobicContact CD2-CG1 4.06Å; F206-V473 HydrophobicContact CE1-CG1 3.95Å; F206-V473 HydrophobicContact CE2-CG1 4Å; F206-V473 HydrophobicContact CG-CG1 4.06Å; F206-V473 HydrophobicContact CZ-CG1 3.94Å; F206-V473 HydrophobicContact CZ-CG2 4.43Å; F206-E477 VanDerWaalsContact CA-OE2 3.23Å; F206-E477 WeakPolarHBondContact CA-OE2 3.42Å; F206-E477 HydrophobicContact CD1-CG 4.07Å; F206-E477 WeakPolarHBondContact CD1-OE1 3.36Å; F206-E477 WeakPolarHBondContact CD1-OE2 3.4Å
207	I	97.6	Very high	90.9	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.046	24%	0.244	C	C	.	.			trans	-83.4	89	176.8	-60.4	165.2	0	0	0	108	P209 I405 V406 A409 E477 V478 F481	I207-P209 VanDerWaalsContact O-CD 3.25Å; I207-P209 WeakPolarHBondContact O-CD 3.47Å; I207-I405 HydrophobicContact CG2-CB 4.42Å; I207-I405 HydrophobicContact CG2-CG2 3.97Å; I207-V406 HydrophobicContact CD1-CG2 3.96Å; I207-V406 HydrophobicContact CG2-CG2 4.42Å; I207-A409 HydrophobicContact CG1-CB 4.42Å; I207-E477 HydrophobicContact CD1-CB 3.78Å; I207-E477 WeakPolarHBondContact CD1-O 3.46Å; I207-E477 HydrophobicContact CG1-CB 4.01Å; I207-E477 PolarHBondContact N-OE2 3.29Å; I207-V478 HydrophobicContact CD1-CG2 4.4Å; I207-F481 HydrophobicContact CD1-CB 3.92Å; I207-F481 HydrophobicContact CD1-CG 4.45Å
208	V	97.7	Very high	89.4	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.			trans	-78.8	114.3	176.4	179.9	0	0	0	0	109.5	Y194 L197 H201 S202 F206 M255	Y194-V208 HydrophobicContact CD2-CG1 3.84Å; Y194-V208 HydrophobicContact CE2-CB 4.48Å; Y194-V208 HydrophobicContact CE2-CG1 3.89Å; L197-V208 HydrophobicContact CB-CG1 3.88Å; H201-V208 HydrophobicContact CB-CG2 3.93Å; S202-V208 WeakPolarHBondContact OG-CG2 3.49Å; F206-V208 PolarHBondContact O-N 2.63Å; F206-V208 VanDerWaalsContact O-N 3.15Å; V208-M255 HydrophobicContact CB-SD 4.27Å; V208-M255 HydrophobicContact CG1-SD 3.97Å; V208-M255 HydrophobicContact CG2-SD 4.03Å
209	P	96.8	Very high	88.1	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.052	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-52.8	134.5	178.4	-27.9	33.7	0	0	0	112.3	Y194 I207 Y245 R248 I249 L402	Y194-P209 VanDerWaalsContact CD2-O 3.23Å; Y194-P209 WeakPolarHBondContact CD2-O 3.48Å; Y194-P209 WeakPolarHBondContact CE2-O 3.41Å; I207-P209 VanDerWaalsContact O-CD 3.25Å; I207-P209 WeakPolarHBondContact O-CD 3.47Å; P209-Y245 HydrophobicContact CB-CD2 4.39Å; P209-Y245 VanDerWaalsContact O-CE2 3.29Å; P209-Y245 WeakPolarHBondContact O-CE2 3.48Å; P209-R248 HydrophobicContact CB-CB 4.02Å; P209-R248 HydrophobicContact CG-CB 3.72Å; P209-I249 HydrophobicContact CB-CD1 4.18Å; P209-I249 HydrophobicContact CG-CD1 4.07Å; P209-L402 HydrophobicContact CB-CD2 4.12Å
210	P	95.1	Very high	86.7	Confident	11 Å²	11	47.7 Å²	47.7	7%	0.071	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-83.8	140.5	177.8	32.2	-30.9	0	0	0	111.3	Y194 R401 I405	Y194-P210 HydrophobicContact CE2-CB 4.23Å; P210-R401 HydrophobicContact CG-CB 3.74Å; P210-I405 HydrophobicContact CB-CD1 4.42Å; P210-I405 HydrophobicContact CB-CG1 4.26Å; P210-I405 HydrophobicContact CG-CG1 3.92Å
211	P	94.1	Very high	85.3	Confident	11 Å²	11	48.8 Å²	48.8	7%	0.071	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-69.8	158.8	172.6	29.5	-35.2	0	0	0	111.5	L191 Y194 Y245	L191-P211 HydrophobicContact CD2-CB 4.12Å; L191-P211 HydrophobicContact CD2-CG 3.64Å; Y194-P211 HydrophobicContact CD1-CG 4.33Å; Y194-P211 VanDerWaalsContact CD2-CD 3.4Å; Y194-P211 HydrophobicContact CD2-CG 4.44Å; Y194-P211 HydrophobicContact CG-CG 3.98Å; P211-Y245 HydrophobicContact CB-CD1 4.39Å; P211-Y245 HydrophobicContact CB-CD2 4.04Å; P211-Y245 HydrophobicContact CB-CE1 4.38Å; P211-Y245 HydrophobicContact CB-CE2 4.02Å; P211-Y245 HydrophobicContact CB-CG 4.23Å
212	P	90.5	Very high	83.9	Confident	12 Å²	12	48.6 Å²	48.6	8%	0.078	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-63.5	153	177.4	26.9	-35.9	0	0	0	112.8	F187 A241 L242	F187-P212 HydrophobicContact CE2-CG 4.44Å; F187-P212 WeakPolarHBondContact CE2-O 3.36Å; F187-P212 WeakPolarHBondContact CZ-O 3.49Å; P212-A241 HydrophobicContact CB-CB 3.59Å; P212-A241 HydrophobicContact CG-CB 3.83Å; P212-L242 HydrophobicContact CG-CD2 3.67Å; P212-L242 HydrophobicContact CG-CG 3.9Å
213	E	84.1	Confident	82.6	Confident	104 Å²	104	52.1 Å²	52.1	49%	0.486	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-69.2	156.3	-165.9	-69.2	-165.4	-145.1	0	0	115.7	S215 R238 G281	E213-S215 VanDerWaalsContact C-N 3.27Å; E213-S215 PolarHBondContact O-N 2.63Å; E213-R238 PolarHBondContact O-NH2 3.44Å; E213-G281 WeakPolarHBondContact OE2-CA 3.47Å
214	K	81.8	Confident	81.3	Confident	35 Å²	35	51.2 Å²	51.2	15%	0.152	27%	0.269	C	S	.	.			trans	-72.1	75.2	171.4	-66.3	-164.3	179.8	169.5	0	112.2	F187 L191 L216 T276 Q277 L279	F187-K214 HydrophobicContact CE1-CG 3.96Å; F187-K214 HydrophobicContact CZ-CG 4.26Å; L191-K214 HydrophobicContact CD1-CD 4.42Å; L191-K214 HydrophobicContact CD1-CG 4.3Å; K214-L216 PolarHBondContact O-N 3.4Å; K214-T276 WeakPolarHBondContact CE-O 3.23Å; K214-T276 PolarHBondContact NZ-O 3.2Å; K214-Q277 VanDerWaalsContact NZ-CA 3.27Å; K214-Q277 PolarHBondContact NZ-O 3.23Å; K214-L279 WeakPolarHBondContact CE-O 3.37Å; K214-L279 WeakPolarHBondContact CG-O 3.19Å
215	S	78.5	Confident	79.6	Confident	46 Å²	46	50.2 Å²	50.2	32%	0.322	28%	0.275	S	S	.	.			trans	-61.1	104.7	160.2	178.7	0	0	0	0	109.6	E213 G218 M219	E213-S215 VanDerWaalsContact C-N 3.27Å; E213-S215 PolarHBondContact O-N 2.63Å; S215-G218 PolarHBondContact OG-N 3.49Å; S215-M219 WeakPolarHBondContact O-CG 3.3Å
216	L	69.3	Low	77.8	Confident	125 Å²	125	56.9 Å²	56.9	65%	0.654	30%	0.304	S	S	*	.	H	α-helix	trans	-69.8	-43	172	-64.8	174.7	0	0	0	110.2	K214 G218 M219 T220	K214-L216 PolarHBondContact O-N 3.4Å; L216-G218 PolarHBondContact O-N 2.9Å; L216-M219 CarbonylContact O-C 3.55Å; L216-M219 WeakPolarHBondContact O-CA 3.44Å; L216-M219 WeakPolarHBondContact O-CB 3.48Å; L216-M219 PolarHBondContact O-N 3.09Å; L216-T220 PolarHBondContact O-N 3.34Å; L216-T220 PolarHBondContact O-OG1 3.5Å
217	I	63.2	Low	76.2	Confident	131 Å²	131	63.4 Å²	63.4	67%	0.672	34%	0.335	S	S	*	.	H	α-helix	trans	-56.4	-47.4	-177.5	-63	158.5	0	0	0	111.1	M219 T220 K221	I217-M219 PolarHBondContact O-N 3.04Å; I217-T220 PolarHBondContact O-N 3.26Å; I217-K221 PolarHBondContact O-N 2.92Å
218	G	65.5	Low	74.9	Confident	4 Å²	4	66.8 Å²	66.8	4%	0.041	35%	0.353	C	S	.	.	H	α-helix	trans	-67.7	-33.2	176.7	0	0	0	0	0	113.4	S215 L216 K221 V222 F234	S215-G218 PolarHBondContact OG-N 3.49Å; L216-G218 PolarHBondContact O-N 2.9Å; G218-K221 PolarHBondContact O-N 2.78Å; G218-V222 WeakPolarHBondContact O-CG2 3.41Å; G218-V222 PolarHBondContact O-N 3.39Å; G218-V222 VanDerWaalsContact O-N 3.16Å; G218-F234 VanDerWaalsContact CA-CE1 3.48Å; G218-F234 WeakPolarHBondContact O-CD1 3.39Å; G218-F234 WeakPolarHBondContact O-CE1 3.31Å
219	M	68.6	Low	73.7	Confident	75 Å²	75	71.5 Å²	71.5	37%	0.369	39%	0.386	S	S	.	.	H	α-helix	trans	-68.3	-37.8	174.3	-71.1	177.8	62.8	0	0	112.1	F187 S215 L216 I217 K223 R238	F187-M219 HydrophobicContact CD1-SD 4.29Å; S215-M219 WeakPolarHBondContact O-CG 3.3Å; L216-M219 CarbonylContact O-C 3.55Å; L216-M219 WeakPolarHBondContact O-CA 3.44Å; L216-M219 WeakPolarHBondContact O-CB 3.48Å; L216-M219 PolarHBondContact O-N 3.09Å; I217-M219 PolarHBondContact O-N 3.04Å; M219-K223 WeakPolarHBondContact O-CB 3.28Å; M219-K223 WeakPolarHBondContact O-CG 3.43Å; M219-K223 PolarHBondContact O-N 3.17Å; M219-K223 VanDerWaalsContact O-N 3.11Å; M219-R238 VanDerWaalsContact CG-NH1 3.33Å; M219-R238 PolarHBondContact SD-NH1 2.98Å
220	T	65.5	Low	72.7	Confident	87 Å²	87	72.9 Å²	72.9	53%	0.534	40%	0.396	S	S	.	.	H	α-helix	trans	-62.2	-48	172.2	-56.5	0	0	0	0	110.8	L216 I217 V222 K223 V224	L216-T220 PolarHBondContact O-N 3.34Å; L216-T220 PolarHBondContact O-OG1 3.5Å; I217-T220 PolarHBondContact O-N 3.26Å; T220-V222 PolarHBondContact O-N 2.95Å; T220-K223 PolarHBondContact O-N 3.42Å; T220-V224 HydrophobicContact CG2-CG1 4.15Å; T220-V224 PolarHBondContact O-N 3.19Å
221	K	66	Low	72	Confident	89 Å²	89	73 Å²	73	39%	0.387	40%	0.397	S	S	.	.	H	α-helix	trans	-52.5	-49.8	177.1	-76	-172.8	170.5	-166.2	0	112.9	I217 G218 K223 V224 S230	I217-K221 PolarHBondContact O-N 2.92Å; G218-K221 PolarHBondContact O-N 2.78Å; K221-K223 VanDerWaalsContact C-N 3.31Å; K221-K223 PolarHBondContact O-N 3.03Å; K221-V224 WeakPolarHBondContact O-CG2 3.28Å; K221-S230 PolarHBondContact NZ-OG 2.85Å
222	V	68.6	Low	71.6	Confident	21 Å²	21	75.3 Å²	75.3	13%	0.127	42%	0.417	C	S	.	.	H	α-helix	trans	-68.9	-27.7	179.6	179.4	0	0	0	0	112.7	K154 V163 G218 T220 F234 L235	K154-V222 PolarHBondContact NZ-O 3.21Å; V163-V222 HydrophobicContact CG2-CG1 3.67Å; G218-V222 WeakPolarHBondContact O-CG2 3.41Å; G218-V222 PolarHBondContact O-N 3.39Å; G218-V222 VanDerWaalsContact O-N 3.16Å; T220-V222 PolarHBondContact O-N 2.95Å; V222-F234 HydrophobicContact CG2-CD1 4.02Å; V222-F234 HydrophobicContact CG2-CE1 4.45Å; V222-L235 HydrophobicContact CG2-CD1 4.35Å; V222-L235 HydrophobicContact CG2-CD2 4Å; V222-L235 HydrophobicContact CG2-CG 4.08Å
223	K	66.8	Low	71.4	Confident	97 Å²	97	77.6 Å²	77.6	42%	0.422	43%	0.427	S	S	.	.	H	α-helix	trans	-74.3	-43.8	175.8	-78.5	-163	174.6	-153.9	0	113.3	M159 A161 M219 T220 K221 G225	M159-K223 PolarHBondContact O-NZ 3Å; A161-K223 WeakPolarHBondContact O-CE 3.28Å; A161-K223 PolarHBondContact O-NZ 2.96Å; A161-K223 VanDerWaalsContact O-NZ 3.11Å; M219-K223 WeakPolarHBondContact O-CB 3.28Å; M219-K223 WeakPolarHBondContact O-CG 3.43Å; M219-K223 PolarHBondContact O-N 3.17Å; M219-K223 VanDerWaalsContact O-N 3.11Å; T220-K223 PolarHBondContact O-N 3.42Å; K221-K223 VanDerWaalsContact C-N 3.31Å; K221-K223 PolarHBondContact O-N 3.03Å; K223-G225 PolarHBondContact O-N 3.44Å
224	V	67.3	Low	71.6	Confident	102 Å²	102	74.1 Å²	74.1	62%	0.618	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-0.3	-176.2	-60.3	0	0	0	0	114.8	T220 K221 K226	T220-V224 HydrophobicContact CG2-CG1 4.15Å; T220-V224 PolarHBondContact O-N 3.19Å; K221-V224 WeakPolarHBondContact O-CG2 3.28Å; V224-K226 VanDerWaalsContact C-N 3.3Å; V224-K226 PolarHBondContact O-N 3.41Å
225	G	60.3	Low	72	Confident	49 Å²	49	73.7 Å²	73.7	51%	0.505	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	4	163.1	0	0	0	0	0	116.1	K223 E227	K223-G225 PolarHBondContact O-N 3.44Å; G225-E227 PolarHBondContact O-N 3.49Å
226	K	59.6	Low	72.7	Confident	140 Å²	140	75 Å²	75	61%	0.609	41%	0.411	S	S	*	.			trans	-75.5	111.2	162.4	-72.8	-165.5	174.8	-170.6	0	109.5	V224 D228	V224-K226 VanDerWaalsContact C-N 3.3Å; V224-K226 PolarHBondContact O-N 3.41Å; K226-D228 WeakPolarHBondContact CD-OD2 3.43Å; K226-D228 PolarHBondContact O-N 3.08Å
227	E	62.9	Low	73.7	Confident	176 Å²	176	71 Å²	71	82%	0.822	39%	0.388	S	S	*	.			trans	-80.4	55.2	169.2	-55.4	-134	137.2	0	0	110.2	G225	G225-E227 PolarHBondContact O-N 3.49Å
228	D	70.2	Confident	75.2	Confident	79 Å²	79	65.5 Å²	65.5	42%	0.422	36%	0.359	S	S	.	.			trans	-71.2	153	174	-62.4	-29.5	0	0	0	109.6	K226 S230 S231	K226-D228 WeakPolarHBondContact CD-OD2 3.43Å; K226-D228 PolarHBondContact O-N 3.08Å; D228-S230 PolarHBondContact O-N 3.27Å; D228-S231 PolarHBondContact O-N 3.43Å; D228-S231 PolarHBondContact O-OG 2.91Å
229	S	72.9	Confident	76.6	Confident	100 Å²	100	67 Å²	67	70%	0.699	36%	0.363	S	S	*	.	H	α-helix	trans	-49.5	-33.3	174.6	55.1	0	0	0	0	113.7	S231 A232 E233	S229-S231 VanDerWaalsContact C-N 3.3Å; S229-S231 PolarHBondContact O-N 3.03Å; S229-A232 PolarHBondContact O-N 2.75Å; S229-E233 PolarHBondContact O-N 2.95Å
230	S	77	Confident	77.8	Confident	37 Å²	37	63.8 Å²	63.8	26%	0.259	35%	0.349	S	S	.	.	H	α-helix	trans	-69.9	-16.5	177.8	80.2	0	0	0	0	115.3	K221 D228 F234	K221-S230 PolarHBondContact NZ-OG 2.85Å; D228-S230 PolarHBondContact O-N 3.27Å; S230-F234 WeakPolarHBondContact O-CB 3.15Å; S230-F234 PolarHBondContact O-N 2.86Å
231	S	80.5	Confident	79.2	Confident	12 Å²	12	59.9 Å²	59.9	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-80.6	-39.2	169.2	65.8	0	0	0	0	111.2	D228 S229 F234 L235	D228-S231 PolarHBondContact O-N 3.43Å; D228-S231 PolarHBondContact O-OG 2.91Å; S229-S231 VanDerWaalsContact C-N 3.3Å; S229-S231 PolarHBondContact O-N 3.03Å; S231-F234 PolarHBondContact O-N 2.82Å; S231-L235 VanDerWaalsContact O-CG 3.31Å; S231-L235 WeakPolarHBondContact O-CG 3.38Å; S231-L235 PolarHBondContact O-N 3.01Å
232	A	85.3	Confident	80.7	Confident	60 Å²	60	55.6 Å²	55.6	50%	0.496	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-47.4	174.4	0	0	0	0	0	111.6	S229 F234 L235 E236	S229-A232 PolarHBondContact O-N 2.75Å; A232-F234 VanDerWaalsContact C-N 3.3Å; A232-F234 PolarHBondContact O-N 2.96Å; A232-L235 PolarHBondContact O-N 2.65Å; A232-E236 PolarHBondContact O-N 3.36Å
233	E	85.2	Confident	82	Confident	60 Å²	60	56.5 Å²	56.5	28%	0.28	31%	0.309	S	S	.	.	H	α-helix	trans	-53.1	-47.2	171.9	-83.8	-159.4	-143.9	0	0	111.7	S229 L235 E236 K237 K338	S229-E233 PolarHBondContact O-N 2.95Å; E233-L235 PolarHBondContact O-N 3.32Å; E233-E236 PolarHBondContact O-N 3.45Å; E233-K237 WeakPolarHBondContact O-CB 3.23Å; E233-K237 WeakPolarHBondContact O-CG 3.46Å; E233-K237 PolarHBondContact O-N 3.37Å; E233-K338 IonicContact OE1-NZ 3.46Å; E233-K338 PolarHBondContact OE1-NZ 3.36Å; E233-K338 IonicContact OE2-NZ 3.74Å; E233-K338 PolarHBondContact OE2-NZ 3.33Å
234	F	88	Confident	83.4	Confident	32 Å²	32	53 Å²	53	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-63.7	-41.2	-178.7	171.3	-110.1	0	0	0	112.8	G218 V222 S230 S231 A232 R238	G218-F234 VanDerWaalsContact CA-CE1 3.48Å; G218-F234 WeakPolarHBondContact O-CD1 3.39Å; G218-F234 WeakPolarHBondContact O-CE1 3.31Å; V222-F234 HydrophobicContact CG2-CD1 4.02Å; V222-F234 HydrophobicContact CG2-CE1 4.45Å; S230-F234 WeakPolarHBondContact O-CB 3.15Å; S230-F234 PolarHBondContact O-N 2.86Å; S231-F234 PolarHBondContact O-N 2.82Å; A232-F234 VanDerWaalsContact C-N 3.3Å; A232-F234 PolarHBondContact O-N 2.96Å; F234-R238 PolarHBondContact O-N 2.71Å
235	L	91.4	Very high	84.8	Confident	26 Å²	26	48.3 Å²	48.3	14%	0.136	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-43	178.5	-72.7	178.9	0	0	0	111.9	P152 V163 V222 S231 A232 E233 R238 R239	P152-L235 HydrophobicContact CB-CB 4.36Å; P152-L235 HydrophobicContact CG-CB 4.49Å; V163-L235 HydrophobicContact CB-CD2 4.44Å; V163-L235 HydrophobicContact CG1-CD2 3.91Å; V163-L235 HydrophobicContact CG2-CD2 3.97Å; V222-L235 HydrophobicContact CG2-CD1 4.35Å; V222-L235 HydrophobicContact CG2-CD2 4Å; V222-L235 HydrophobicContact CG2-CG 4.08Å; S231-L235 VanDerWaalsContact O-CG 3.31Å; S231-L235 WeakPolarHBondContact O-CG 3.38Å; S231-L235 PolarHBondContact O-N 3.01Å; A232-L235 PolarHBondContact O-N 2.65Å; E233-L235 PolarHBondContact O-N 3.32Å; L235-R238 PolarHBondContact O-N 3.28Å; L235-R239 WeakPolarHBondContact O-CB 3.2Å; L235-R239 PolarHBondContact O-N 2.93Å
236	E	92.2	Very high	86.6	Confident	74 Å²	74	46 Å²	46	35%	0.346	24%	0.24	S	C	.	.	H	α-helix	trans	-67.1	-43.6	177.5	179.5	49.3	-143	0	0	111.9	A232 E233 R238 R239 A240 F390	A232-E236 PolarHBondContact O-N 3.36Å; E233-E236 PolarHBondContact O-N 3.45Å; E236-R238 VanDerWaalsContact C-N 3.32Å; E236-R238 PolarHBondContact O-N 3.5Å; E236-R239 WeakPolarHBondContact O-CB 3.38Å; E236-R239 PolarHBondContact O-N 3.31Å; E236-R239 VanDerWaalsContact O-N 3.16Å; E236-R239 IonicContact OE1-CZ 3.68Å; E236-R239 IonicContact OE1-NE 2.72Å; E236-R239 PolarHBondContact OE1-NE 3.49Å; E236-R239 IonicContact OE1-NH2 3.49Å; E236-R239 PolarHBondContact OE1-NH2 3.01Å; E236-R239 VanDerWaalsContact OE2-CD 3.24Å; E236-R239 WeakPolarHBondContact OE2-CD 3.31Å; E236-R239 IonicContact OE2-CZ 3.64Å; E236-R239 IonicContact OE2-NE 2.74Å; E236-R239 PolarHBondContact OE2-NE 3.31Å; E236-A240 WeakPolarHBondContact O-CB 3.46Å; E236-A240 PolarHBondContact O-N 3.06Å; E236-F390 HydrophobicContact CB-CZ 4.5Å; E236-F390 HydrophobicContact CG-CE1 4.22Å; E236-F390 HydrophobicContact CG-CZ 3.84Å
237	K	91.7	Very high	88.4	Confident	40 Å²	40	42.7 Å²	42.7	17%	0.174	23%	0.227	C	C	.	.	H	α-helix	trans	-56.1	-45.8	173.4	-70.9	179.7	178.2	-136.3	0	111.8	E233 A241 F389 F390	E233-K237 WeakPolarHBondContact O-CB 3.23Å; E233-K237 WeakPolarHBondContact O-CG 3.46Å; E233-K237 PolarHBondContact O-N 3.37Å; K237-A241 WeakPolarHBondContact O-CB 3.49Å; K237-A241 PolarHBondContact O-N 3.49Å; K237-A241 VanDerWaalsContact O-N 3.13Å; K237-F389 HydrophobicContact CB-CE1 4.23Å; K237-F389 HydrophobicContact CD-CD1 4.05Å; K237-F389 HydrophobicContact CD-CE1 3.43Å; K237-F389 VanDerWaalsContact CD-CE1 3.43Å; K237-F389 HydrophobicContact CD-CE2 4.46Å; K237-F389 HydrophobicContact CD-CZ 3.68Å; K237-F389 VanDerWaalsContact CE-CE1 3.49Å; K237-F389 HydrophobicContact CG-CD1 4.12Å; K237-F389 HydrophobicContact CG-CE1 3.5Å; K237-F389 HydrophobicContact CG-CZ 4.19Å; K237-F389 VanDerWaalsContact NZ-CD1 3.27Å; K237-F389 VanDerWaalsContact NZ-CE1 3.3Å; K237-F389 VanDerWaalsContact NZ-CG 3.25Å; K237-F389 VanDerWaalsContact NZ-CZ 3.28Å; K237-F390 HydrophobicContact CB-CE1 4.48Å; K237-F390 HydrophobicContact CB-CZ 4.46Å; K237-F390 HydrophobicContact CG-CE1 3.96Å; K237-F390 HydrophobicContact CG-CE2 4.36Å; K237-F390 HydrophobicContact CG-CZ 3.57Å
238	R	92.9	Very high	89.9	Confident	16 Å²	16	35.6 Å²	35.6	6%	0.06	19%	0.193	C	C	.	.	H	α-helix	trans	-67.7	-39.3	175.9	176.8	166.2	-83.6	168	-1.3	112.6	Y165 F187 E213 M219 F234 L235 E236 A241 L242	Y165-R238 VanDerWaalsContact OH-CD 3.22Å; Y165-R238 WeakPolarHBondContact OH-CD 3.18Å; Y165-R238 WeakPolarHBondContact OH-CG 3.37Å; F187-R238 VanDerWaalsContact CE1-NH2 3.32Å; E213-R238 PolarHBondContact O-NH2 3.44Å; M219-R238 VanDerWaalsContact CG-NH1 3.33Å; M219-R238 PolarHBondContact SD-NH1 2.98Å; F234-R238 PolarHBondContact O-N 2.71Å; L235-R238 PolarHBondContact O-N 3.28Å; E236-R238 VanDerWaalsContact C-N 3.32Å; E236-R238 PolarHBondContact O-N 3.5Å; R238-A241 PolarHBondContact O-N 3.48Å; R238-L242 HydrophobicContact CG-CD1 3.74Å; R238-L242 HydrophobicContact CG-CG 4.21Å; R238-L242 WeakPolarHBondContact O-CB 3.38Å; R238-L242 VanDerWaalsContact O-CG 3.22Å; R238-L242 WeakPolarHBondContact O-CG 3.47Å; R238-L242 PolarHBondContact O-N 3.06Å
239	R	95	Very high	91.2	Very high	35 Å²	35	31.9 Å²	31.9	13%	0.132	17%	0.173	C	C	.	.	H	α-helix	trans	-59	-52.5	176.7	-176.6	-144.2	67.7	68.8	2.7	110.9	I149 Y165 L235 E236 A241 L242 E243	I149-R239 HydrophobicContact CB-CG 4.42Å; I149-R239 HydrophobicContact CG2-CG 4.08Å; I149-R239 WeakPolarHBondContact O-CD 3.33Å; I149-R239 WeakPolarHBondContact O-CG 3.18Å; I149-R239 PolarHBondContact O-NH1 3.42Å; Y165-R239 HydrophobicContact CD1-CB 4.15Å; Y165-R239 HydrophobicContact CD1-CG 4.29Å; Y165-R239 HydrophobicContact CE1-CB 4.1Å; L235-R239 WeakPolarHBondContact O-CB 3.2Å; L235-R239 PolarHBondContact O-N 2.93Å; E236-R239 WeakPolarHBondContact O-CB 3.38Å; E236-R239 PolarHBondContact O-N 3.31Å; E236-R239 VanDerWaalsContact O-N 3.16Å; E236-R239 IonicContact OE1-CZ 3.68Å; E236-R239 IonicContact OE1-NE 2.72Å; E236-R239 PolarHBondContact OE1-NE 3.49Å; E236-R239 IonicContact OE1-NH2 3.49Å; E236-R239 PolarHBondContact OE1-NH2 3.01Å; E236-R239 VanDerWaalsContact OE2-CD 3.24Å; E236-R239 WeakPolarHBondContact OE2-CD 3.31Å; E236-R239 IonicContact OE2-CZ 3.64Å; E236-R239 IonicContact OE2-NE 2.74Å; E236-R239 PolarHBondContact OE2-NE 3.31Å; R239-A241 PolarHBondContact O-N 3.49Å; R239-L242 PolarHBondContact O-N 2.93Å; R239-E243 IonicContact CZ-OE2 2.75Å; R239-E243 IonicContact NH1-OE1 3.87Å; R239-E243 PolarHBondContact NH1-OE1 2.86Å; R239-E243 VanDerWaalsContact NH1-OE1 3.11Å; R239-E243 IonicContact NH1-OE2 3.56Å; R239-E243 PolarHBondContact NH1-OE2 2.91Å; R239-E243 IonicContact NH2-OE2 3.46Å; R239-E243 PolarHBondContact NH2-OE2 3.48Å; R239-E243 WeakPolarHBondContact O-CB 3.31Å; R239-E243 PolarHBondContact O-N 2.84Å
240	A	94.8	Very high	92.3	Very high	8 Å²	8	27.1 Å²	27.1	7%	0.066	14%	0.14	C	C	.	.	H	α-helix	trans	-59.3	-43.4	178.2	0	0	0	0	0	112.5	E236 E243 R244 F390	E236-A240 WeakPolarHBondContact O-CB 3.46Å; E236-A240 PolarHBondContact O-N 3.06Å; A240-E243 WeakPolarHBondContact O-CB 3.45Å; A240-E243 PolarHBondContact O-N 3.14Å; A240-R244 WeakPolarHBondContact O-CG 3.47Å; A240-R244 PolarHBondContact O-N 2.89Å; A240-F390 HydrophobicContact CB-CD1 4.07Å; A240-F390 HydrophobicContact CB-CE1 3.92Å
241	A	95	Very high	93.2	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.033	14%	0.143	C	C	.	.	H	α-helix	trans	-70.4	-32.5	179.6	0	0	0	0	0	113.3	P212 K237 R238 R239 E243 Y245	P212-A241 HydrophobicContact CB-CB 3.59Å; P212-A241 HydrophobicContact CG-CB 3.83Å; K237-A241 WeakPolarHBondContact O-CB 3.49Å; K237-A241 PolarHBondContact O-N 3.49Å; K237-A241 VanDerWaalsContact O-N 3.13Å; R238-A241 PolarHBondContact O-N 3.48Å; R239-A241 PolarHBondContact O-N 3.49Å; A241-E243 VanDerWaalsContact C-N 3.34Å; A241-Y245 WeakPolarHBondContact O-CB 3.43Å; A241-Y245 PolarHBondContact O-N 3.1Å
242	L	96.8	Very high	93.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69.2	-33.8	171.8	-72	169.8	0	0	0	112.1	I149 Y165 F187 F190 P212 R238 R239 L246	I149-L242 HydrophobicContact CD1-CB 3.87Å; I149-L242 WeakPolarHBondContact CD1-O 3.42Å; Y165-L242 HydrophobicContact CD2-CD1 4.01Å; Y165-L242 HydrophobicContact CE1-CD1 4.49Å; Y165-L242 HydrophobicContact CE2-CD1 3.93Å; Y165-L242 HydrophobicContact CG-CD1 4.38Å; F187-L242 HydrophobicContact CD2-CD1 4.23Å; F187-L242 HydrophobicContact CD2-CD2 3.97Å; F187-L242 HydrophobicContact CE2-CD2 4.23Å; F190-L242 HydrophobicContact CB-CD2 4.02Å; F190-L242 HydrophobicContact CD1-CD2 3.75Å; F190-L242 HydrophobicContact CD2-CD1 4.36Å; F190-L242 HydrophobicContact CD2-CD2 4Å; F190-L242 HydrophobicContact CE1-CB 4.13Å; F190-L242 HydrophobicContact CE1-CD2 4.14Å; F190-L242 HydrophobicContact CE2-CD1 4.07Å; F190-L242 HydrophobicContact CE2-CD2 4.38Å; F190-L242 HydrophobicContact CG-CD2 3.68Å; F190-L242 HydrophobicContact CZ-CB 4.37Å; F190-L242 HydrophobicContact CZ-CD1 4.22Å; F190-L242 HydrophobicContact CZ-CD2 4.44Å; P212-L242 HydrophobicContact CG-CD2 3.67Å; P212-L242 HydrophobicContact CG-CG 3.9Å; R238-L242 HydrophobicContact CG-CD1 3.74Å; R238-L242 HydrophobicContact CG-CG 4.21Å; R238-L242 WeakPolarHBondContact O-CB 3.38Å; R238-L242 VanDerWaalsContact O-CG 3.22Å; R238-L242 WeakPolarHBondContact O-CG 3.47Å; R238-L242 PolarHBondContact O-N 3.06Å; R239-L242 PolarHBondContact O-N 2.93Å; L242-L246 WeakPolarHBondContact O-CB 3.33Å; L242-L246 PolarHBondContact O-N 2.94Å
243	E	97.1	Very high	94.4	Very high	39 Å²	39	26.3 Å²	26.3	18%	0.182	13%	0.125	C	C	.	.	H	α-helix	trans	-66	-51.2	176.7	-176.6	166.9	-104.7	0	0	110.9	G148 I149 R239 A240 A241 Y245 L246 Q247	G148-E243 VanDerWaalsContact CA-OE1 3.25Å; G148-E243 WeakPolarHBondContact CA-OE1 2.83Å; I149-E243 HydrophobicContact CB-CB 4.16Å; I149-E243 HydrophobicContact CD1-CB 4.33Å; I149-E243 HydrophobicContact CG1-CB 4.11Å; I149-E243 HydrophobicContact CG1-CG 4.5Å; I149-E243 PolarHBondContact N-OE1 3.02Å; R239-E243 IonicContact CZ-OE2 2.75Å; R239-E243 IonicContact NH1-OE1 3.87Å; R239-E243 PolarHBondContact NH1-OE1 2.86Å; R239-E243 VanDerWaalsContact NH1-OE1 3.11Å; R239-E243 IonicContact NH1-OE2 3.56Å; R239-E243 PolarHBondContact NH1-OE2 2.91Å; R239-E243 IonicContact NH2-OE2 3.46Å; R239-E243 PolarHBondContact NH2-OE2 3.48Å; R239-E243 WeakPolarHBondContact O-CB 3.31Å; R239-E243 PolarHBondContact O-N 2.84Å; A240-E243 WeakPolarHBondContact O-CB 3.45Å; A240-E243 PolarHBondContact O-N 3.14Å; A241-E243 VanDerWaalsContact C-N 3.34Å; E243-Y245 VanDerWaalsContact C-N 3.33Å; E243-Y245 PolarHBondContact O-N 2.9Å; E243-L246 PolarHBondContact O-N 3.14Å; E243-Q247 WeakPolarHBondContact O-CB 3.41Å; E243-Q247 VanDerWaalsContact O-CG 3.27Å; E243-Q247 WeakPolarHBondContact O-CG 3.4Å; E243-Q247 PolarHBondContact O-N 3.09Å
244	R	95.7	Very high	94.9	Very high	25 Å²	25	25.6 Å²	25.6	9%	0.094	12%	0.124	C	C	.	.	H	α-helix	trans	-61.8	-37.8	175.1	-60.4	-174.2	-42.2	-93.3	-7.7	112.5	A240 R248 E394 D398	A240-R244 WeakPolarHBondContact O-CG 3.47Å; A240-R244 PolarHBondContact O-N 2.89Å; R244-R248 WeakPolarHBondContact O-CG 3.39Å; R244-R248 PolarHBondContact O-N 2.79Å; R244-R248 VanDerWaalsContact O-N 3.17Å; R244-E394 IonicContact CZ-OE2 3.44Å; R244-E394 VanDerWaalsContact CZ-OE2 3.27Å; R244-E394 IonicContact NH1-OE2 3.42Å; R244-E394 PolarHBondContact NH1-OE2 2.86Å; R244-E394 IonicContact NH2-OE2 2.65Å; R244-E394 PolarHBondContact NH2-OE2 2.93Å; R244-D398 IonicContact CZ-OD2 3.96Å; R244-D398 VanDerWaalsContact CZ-OD2 3.25Å; R244-D398 IonicContact NE-OD2 3.04Å; R244-D398 PolarHBondContact NE-OD2 3.34Å; R244-D398 VanDerWaalsContact NH2-CG 3.29Å; R244-D398 IonicContact NH2-OD1 2.85Å; R244-D398 PolarHBondContact NH2-OD1 3.29Å; R244-D398 VanDerWaalsContact NH2-OD1 3.13Å; R244-D398 IonicContact NH2-OD2 3.1Å; R244-D398 PolarHBondContact NH2-OD2 2.96Å
245	Y	97	Very high	95.3	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.012	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-53.7	171.4	160.1	-104	0	0	0	111.4	F190 P209 P211 A241 E243 Q247 R248 I249	F190-Y245 HydrophobicContact CB-CE1 4.08Å; F190-Y245 AromaticContact CD1-CD1 3.99Å; F190-Y245 HydrophobicContact CD1-CD1 3.99Å; F190-Y245 AromaticContact CD1-CE1 3.91Å; F190-Y245 HydrophobicContact CD1-CE1 3.91Å; P209-Y245 HydrophobicContact CB-CD2 4.39Å; P209-Y245 VanDerWaalsContact O-CE2 3.29Å; P209-Y245 WeakPolarHBondContact O-CE2 3.48Å; P211-Y245 HydrophobicContact CB-CD1 4.39Å; P211-Y245 HydrophobicContact CB-CD2 4.04Å; P211-Y245 HydrophobicContact CB-CE1 4.38Å; P211-Y245 HydrophobicContact CB-CE2 4.02Å; P211-Y245 HydrophobicContact CB-CG 4.23Å; A241-Y245 WeakPolarHBondContact O-CB 3.43Å; A241-Y245 PolarHBondContact O-N 3.1Å; E243-Y245 VanDerWaalsContact C-N 3.33Å; E243-Y245 PolarHBondContact O-N 2.9Å; Y245-Q247 VanDerWaalsContact C-N 3.34Å; Y245-Q247 PolarHBondContact O-N 2.89Å; Y245-R248 PolarHBondContact O-N 3.35Å; Y245-I249 HydrophobicContact CD2-CG1 4.21Å; Y245-I249 HydrophobicContact CE1-CG1 4.37Å; Y245-I249 HydrophobicContact CE2-CD1 3.86Å; Y245-I249 HydrophobicContact CE2-CG1 3.72Å; Y245-I249 WeakPolarHBondContact O-CG1 3.36Å; Y245-I249 PolarHBondContact O-N 3.48Å; Y245-I249 VanDerWaalsContact O-N 3.15Å
246	L	97.7	Very high	95.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.6	-35.3	-175.5	-168	65.2	0	0	0	111.9	V147 I149 V167 L193 L242 E243 I249 V250 F264 L265	V147-L246 HydrophobicContact CB-CD2 4.07Å; V147-L246 HydrophobicContact CB-CG 4.42Å; V147-L246 HydrophobicContact CG1-CD2 4.18Å; V147-L246 HydrophobicContact CG1-CG 4.44Å; V147-L246 HydrophobicContact CG2-CB 4.18Å; V147-L246 HydrophobicContact CG2-CD2 4.1Å; V147-L246 HydrophobicContact CG2-CG 3.97Å; I149-L246 HydrophobicContact CD1-CB 4.36Å; I149-L246 HydrophobicContact CD1-CD2 4.09Å; I149-L246 HydrophobicContact CG1-CD2 4.49Å; V167-L246 HydrophobicContact CG1-CD2 3.51Å; V167-L246 HydrophobicContact CG2-CD2 4.45Å; L193-L246 HydrophobicContact CD2-CD1 4.35Å; L242-L246 WeakPolarHBondContact O-CB 3.33Å; L242-L246 PolarHBondContact O-N 2.94Å; E243-L246 PolarHBondContact O-N 3.14Å; L246-I249 WeakPolarHBondContact O-CB 3.32Å; L246-I249 PolarHBondContact O-N 3.23Å; L246-V250 WeakPolarHBondContact O-CG2 3.28Å; L246-V250 PolarHBondContact O-N 3.18Å; L246-F264 HydrophobicContact CD1-CD1 3.97Å; L246-F264 HydrophobicContact CD1-CE1 3.75Å; L246-F264 HydrophobicContact CD2-CE1 4.15Å; L246-L265 HydrophobicContact CD1-CD2 4.24Å; L246-L265 HydrophobicContact CD2-CD2 3.89Å; L246-L265 HydrophobicContact CG-CD2 4.33Å
247	Q	96	Very high	95.6	Very high	71 Å²	71	25.6 Å²	25.6	33%	0.332	12%	0.124	S	C	.	.	H	α-helix	trans	-58.9	-45.3	172.8	-73.9	172.5	-5.3	0	0	111.7	V147 E243 Y245 I249 V250 N251	V147-Q247 HydrophobicContact CG2-CB 4.38Å; V147-Q247 HydrophobicContact CG2-CG 3.54Å; V147-Q247 PolarHBondContact O-NE2 3.04Å; E243-Q247 WeakPolarHBondContact O-CB 3.41Å; E243-Q247 VanDerWaalsContact O-CG 3.27Å; E243-Q247 WeakPolarHBondContact O-CG 3.4Å; E243-Q247 PolarHBondContact O-N 3.09Å; Y245-Q247 VanDerWaalsContact C-N 3.34Å; Y245-Q247 PolarHBondContact O-N 2.89Å; Q247-I249 VanDerWaalsContact C-N 3.3Å; Q247-I249 PolarHBondContact O-N 3.34Å; Q247-V250 WeakPolarHBondContact O-CG2 3.38Å; Q247-V250 PolarHBondContact O-N 3.36Å; Q247-N251 WeakPolarHBondContact O-CB 3.38Å; Q247-N251 PolarHBondContact O-N 3.45Å; Q247-N251 PolarHBondContact O-ND2 2.91Å; Q247-N251 PolarHBondContact O-OD1 2.89Å
248	R	96.1	Very high	95.8	Very high	27 Å²	27	24.1 Å²	24.1	10%	0.102	12%	0.118	C	C	.	.	H	α-helix	trans	-65.7	-30.4	175.8	-67.4	179.4	-172	115.8	0.7	113.2	P209 R244 Y245 D398 D488	P209-R248 HydrophobicContact CB-CB 4.02Å; P209-R248 HydrophobicContact CG-CB 3.72Å; R244-R248 WeakPolarHBondContact O-CG 3.39Å; R244-R248 PolarHBondContact O-N 2.79Å; R244-R248 VanDerWaalsContact O-N 3.17Å; Y245-R248 PolarHBondContact O-N 3.35Å; R248-D398 IonicContact CZ-OD2 2.67Å; R248-D398 VanDerWaalsContact NH1-CG 3.33Å; R248-D398 IonicContact NH1-OD2 3.18Å; R248-D398 PolarHBondContact NH1-OD2 3.24Å; R248-D398 IonicContact NH2-OD2 2.8Å; R248-D398 PolarHBondContact NH2-OD2 3.35Å; R248-D488 IonicContact CZ-OD2 2.5Å; R248-D488 IonicContact NE-OD2 2.7Å; R248-D488 IonicContact NH2-OD2 3.4Å; R248-D488 PolarHBondContact NH2-OD2 3.48Å
249	I	97.4	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.3	-44.4	174.5	-64.5	-73.3	0	0	0	111.5	L197 P209 Y245 L246 Q247 M255 V261	L197-I249 HydrophobicContact CD1-CD1 3.92Å; L197-I249 HydrophobicContact CD1-CG2 4.11Å; P209-I249 HydrophobicContact CB-CD1 4.18Å; P209-I249 HydrophobicContact CG-CD1 4.07Å; Y245-I249 HydrophobicContact CD2-CG1 4.21Å; Y245-I249 HydrophobicContact CE1-CG1 4.37Å; Y245-I249 HydrophobicContact CE2-CD1 3.86Å; Y245-I249 HydrophobicContact CE2-CG1 3.72Å; Y245-I249 WeakPolarHBondContact O-CG1 3.36Å; Y245-I249 PolarHBondContact O-N 3.48Å; Y245-I249 VanDerWaalsContact O-N 3.15Å; L246-I249 WeakPolarHBondContact O-CB 3.32Å; L246-I249 PolarHBondContact O-N 3.23Å; Q247-I249 VanDerWaalsContact C-N 3.3Å; Q247-I249 PolarHBondContact O-N 3.34Å; I249-M255 HydrophobicContact CD1-SD 3.86Å; I249-M255 HydrophobicContact CG2-CB 4.35Å; I249-V261 HydrophobicContact CG2-CG1 4.23Å; I249-V261 HydrophobicContact CG2-CG2 3.59Å
250	V	96.3	Very high	96	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-82.7	-20.4	-175.7	-57.6	0	0	0	0	114.2	L145 V147 L246 Q247 H252 L256 V261 L265	L145-V250 HydrophobicContact CD2-CB 3.66Å; L145-V250 HydrophobicContact CD2-CG1 4.06Å; L145-V250 HydrophobicContact CD2-CG2 3.48Å; L145-V250 VanDerWaalsContact CD2-CG2 3.48Å; V147-V250 HydrophobicContact CG1-CG1 4.26Å; V147-V250 HydrophobicContact CG1-CG2 4.33Å; V147-V250 HydrophobicContact CG2-CG2 4.01Å; L246-V250 WeakPolarHBondContact O-CG2 3.28Å; L246-V250 PolarHBondContact O-N 3.18Å; Q247-V250 WeakPolarHBondContact O-CG2 3.38Å; Q247-V250 PolarHBondContact O-N 3.36Å; V250-H252 PolarHBondContact O-N 2.65Å; V250-L256 HydrophobicContact CB-CD1 4.39Å; V250-V261 HydrophobicContact CG1-CG1 4.21Å; V250-L265 HydrophobicContact CG1-CD1 3.91Å
251	N	94.6	Very high	96.1	Very high	61 Å²	61	27.3 Å²	27.3	33%	0.326	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.6	172.5	-69.1	-6	0	0	0	113	F143 Q247 R480	F143-N251 WeakPolarHBondContact CE2-O 3.5Å; Q247-N251 WeakPolarHBondContact O-CB 3.38Å; Q247-N251 PolarHBondContact O-N 3.45Å; Q247-N251 PolarHBondContact O-ND2 2.91Å; Q247-N251 PolarHBondContact O-OD1 2.89Å; N251-R480 PolarHBondContact O-NH2 2.79Å
252	H	96	Very high	96.1	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.019	16%	0.157	C	C	.	.	S	Bend	trans	-95.1	122.9	-174.2	-170	-53	0	0	0	112.1	V250 T254 M255 L256 E477 R480	V250-H252 PolarHBondContact O-N 2.65Å; H252-T254 PolarHBondContact ND1-N 3.29Å; H252-T254 PolarHBondContact O-N 2.88Å; H252-M255 HydrophobicContact CB-CB 4.3Å; H252-M255 HydrophobicContact CB-CE 3.71Å; H252-M255 WeakPolarHBondContact CD2-CE 3.23Å; H252-M255 PolarHBondContact O-N 3.4Å; H252-M255 VanDerWaalsContact O-N 3.16Å; H252-L256 WeakPolarHBondContact O-CB 3.15Å; H252-L256 PolarHBondContact O-N 3Å; H252-E477 IonicContact CE1-OE1 2.77Å; H252-E477 PolarHBondContact CE1-OE1 3.01Å; H252-E477 IonicContact CE1-OE2 2.7Å; H252-E477 IonicContact NE2-OE1 2.97Å; H252-E477 PolarHBondContact NE2-OE1 3.34Å; H252-E477 IonicContact NE2-OE2 2.76Å; H252-E477 PolarHBondContact NE2-OE2 3.45Å; H252-R480 PolarHBondContact CD2-NH1 2.93Å
253	P	95	Very high	96	Very high	27 Å²	27	33.5 Å²	33.5	18%	0.175	17%	0.168	C	C	.	.	H	α-helix	trans	-53.6	-47.6	-171.7	-27.7	32.6	0	0	0	115.1	D141 F143 Q257	D141-P253 HydrophobicContact CB-CG 4.28Å; D141-P253 WeakPolarHBondContact OD1-CG 3.41Å; D141-P253 VanDerWaalsContact OD2-CD 3.28Å; D141-P253 WeakPolarHBondContact OD2-CD 3.36Å; D141-P253 WeakPolarHBondContact OD2-CG 3.24Å; F143-P253 HydrophobicContact CE2-CB 4.36Å; F143-P253 HydrophobicContact CE2-CG 3.94Å; F143-P253 HydrophobicContact CZ-CB 3.94Å; F143-P253 HydrophobicContact CZ-CG 3.84Å; P253-Q257 WeakPolarHBondContact O-CG 3.44Å; P253-Q257 PolarHBondContact O-NE2 3.22Å
254	T	95.7	Very high	96	Very high	44 Å²	44	31.8 Å²	31.8	27%	0.27	16%	0.16	S	C	.	.	H	α-helix	trans	-66.7	-44.6	179.3	-44.4	0	0	0	0	112.8	F206 H252 Q257 D258	F206-T254 HydrophobicContact CD1-CG2 4.44Å; F206-T254 HydrophobicContact CE1-CG2 4.01Å; F206-T254 VanDerWaalsContact CE1-OG1 3.28Å; F206-T254 WeakPolarHBondContact CE1-OG1 3.47Å; F206-T254 HydrophobicContact CE2-CG2 4.42Å; F206-T254 HydrophobicContact CZ-CG2 4Å; H252-T254 PolarHBondContact ND1-N 3.29Å; H252-T254 PolarHBondContact O-N 2.88Å; T254-Q257 PolarHBondContact O-N 3.34Å; T254-D258 PolarHBondContact O-N 3.03Å
255	M	96.2	Very high	96.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-77.7	-33.6	-175.9	-73.8	-179.9	-80.7	0	0	112.6	L197 V208 I249 H252 Q257 D258 V261	L197-M255 HydrophobicContact CD1-CG 4.46Å; L197-M255 HydrophobicContact CD1-SD 4.16Å; L197-M255 HydrophobicContact CD2-CG 4.32Å; V208-M255 HydrophobicContact CB-SD 4.27Å; V208-M255 HydrophobicContact CG1-SD 3.97Å; V208-M255 HydrophobicContact CG2-SD 4.03Å; I249-M255 HydrophobicContact CD1-SD 3.86Å; I249-M255 HydrophobicContact CG2-CB 4.35Å; H252-M255 HydrophobicContact CB-CB 4.3Å; H252-M255 HydrophobicContact CB-CE 3.71Å; H252-M255 WeakPolarHBondContact CD2-CE 3.23Å; H252-M255 PolarHBondContact O-N 3.4Å; H252-M255 VanDerWaalsContact O-N 3.16Å; M255-Q257 PolarHBondContact O-N 2.84Å; M255-D258 WeakPolarHBondContact O-CB 3.41Å; M255-D258 PolarHBondContact O-N 3.46Å; M255-V261 WeakPolarHBondContact O-CB 3.37Å; M255-V261 VanDerWaalsContact O-CG2 3.23Å; M255-V261 WeakPolarHBondContact O-CG2 3.39Å
256	L	95.6	Very high	96	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-33.8	172.2	176.2	60.8	0	0	0	112.7	F143 L145 L173 F176 V250 H252 D258	F143-L256 HydrophobicContact CB-CD2 3.74Å; F143-L256 HydrophobicContact CD1-CD2 3.44Å; F143-L256 VanDerWaalsContact CD1-CD2 3.44Å; F143-L256 HydrophobicContact CD2-CD2 3.62Å; F143-L256 HydrophobicContact CE1-CD2 3.96Å; F143-L256 HydrophobicContact CE2-CD2 4.11Å; F143-L256 HydrophobicContact CG-CD2 3.26Å; F143-L256 HydrophobicContact CZ-CD2 4.27Å; L145-L256 HydrophobicContact CD1-CD1 3.96Å; L173-L256 HydrophobicContact CD1-CD1 4.31Å; L173-L256 HydrophobicContact CD1-CD2 3.92Å; F176-L256 HydrophobicContact CE2-CD1 4.49Å; F176-L256 HydrophobicContact CZ-CD1 4.43Å; V250-L256 HydrophobicContact CB-CD1 4.39Å; H252-L256 WeakPolarHBondContact O-CB 3.15Å; H252-L256 PolarHBondContact O-N 3Å; L256-D258 VanDerWaalsContact C-N 3.29Å
257	Q	94.5	Very high	95.8	Very high	129 Å²	129	36.1 Å²	36.1	60%	0.603	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-13.3	176.3	-71.5	176	76.7	0	0	113.3	P253 T254 M255	P253-Q257 WeakPolarHBondContact O-CG 3.44Å; P253-Q257 PolarHBondContact O-NE2 3.22Å; T254-Q257 PolarHBondContact O-N 3.34Å; M255-Q257 PolarHBondContact O-N 2.84Å
258	D	96.4	Very high	95.5	Very high	9 Å²	9	41 Å²	41	5%	0.048	20%	0.202	C	C	.	.			trans	-68.4	130.5	-174	-167.2	-70.5	0	0	0	112.2	L197 K200 H201 T254 M255 L256 D260 V261 R262	L197-D258 HydrophobicContact CD2-CB 3.98Å; K200-D258 WeakPolarHBondContact CE-OD2 3.18Å; K200-D258 IonicContact NZ-OD1 3.13Å; K200-D258 PolarHBondContact NZ-OD1 3.46Å; K200-D258 IonicContact NZ-OD2 2.81Å; K200-D258 PolarHBondContact NZ-OD2 2.99Å; H201-D258 IonicContact CD2-OD2 3.94Å; H201-D258 IonicContact CE1-OD2 2.73Å; H201-D258 IonicContact NE2-OD2 3.72Å; H201-D258 PolarHBondContact NE2-OD2 3.48Å; T254-D258 PolarHBondContact O-N 3.03Å; M255-D258 WeakPolarHBondContact O-CB 3.41Å; M255-D258 PolarHBondContact O-N 3.46Å; L256-D258 VanDerWaalsContact C-N 3.29Å; D258-D260 PolarHBondContact O-N 2.78Å; D258-D260 WeakPolarHBondContact OD1-CB 3.49Å; D258-D260 PolarHBondContact OD1-N 2.85Å; D258-V261 HydrophobicContact CB-CG2 4.29Å; D258-V261 PolarHBondContact O-N 3.33Å; D258-V261 VanDerWaalsContact O-N 3.16Å; D258-R262 PolarHBondContact O-N 3.05Å
259	P	95.9	Very high	95.1	Very high	94 Å²	94	47.4 Å²	47.4	61%	0.61	23%	0.233	S	C	*	.	H	α-helix	trans	-56	-31.6	178.6	-27.6	35.8	0	0	0	114.8	R262 E263	P259-R262 PolarHBondContact O-N 2.86Å; P259-E263 PolarHBondContact O-N 3.41Å
260	D	96.2	Very high	94.4	Very high	32 Å²	32	49.3 Å²	49.3	17%	0.171	24%	0.243	C	C	.	.	H	α-helix	trans	-76.4	-29.7	-179.3	-69.7	-62.7	0	0	0	112.7	L193 K196 K200 D258 F264	L193-D260 HydrophobicContact CD1-CB 4.19Å; K196-D260 HydrophobicContact CD-CB 3.97Å; K196-D260 WeakPolarHBondContact CD-OD1 3.02Å; K196-D260 WeakPolarHBondContact CE-OD1 3.42Å; K196-D260 IonicContact NZ-OD1 2.69Å; K196-D260 PolarHBondContact NZ-OD1 2.91Å; K200-D260 IonicContact NZ-OD2 3.14Å; K200-D260 PolarHBondContact NZ-OD2 3.4Å; D258-D260 PolarHBondContact O-N 2.78Å; D258-D260 WeakPolarHBondContact OD1-CB 3.49Å; D258-D260 PolarHBondContact OD1-N 2.85Å; D260-F264 WeakPolarHBondContact O-CB 3.31Å; D260-F264 PolarHBondContact O-N 2.83Å
261	V	97.2	Very high	93.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.6	-42.1	169.9	172.6	0	0	0	0	109.7	L193 L197 I249 V250 M255 D258 F264 L265	L193-V261 HydrophobicContact CD1-CG2 4.03Å; L197-V261 HydrophobicContact CD1-CG2 3.88Å; L197-V261 HydrophobicContact CD2-CG2 4.19Å; I249-V261 HydrophobicContact CG2-CG1 4.23Å; I249-V261 HydrophobicContact CG2-CG2 3.59Å; V250-V261 HydrophobicContact CG1-CG1 4.21Å; M255-V261 WeakPolarHBondContact O-CB 3.37Å; M255-V261 VanDerWaalsContact O-CG2 3.23Å; M255-V261 WeakPolarHBondContact O-CG2 3.39Å; D258-V261 HydrophobicContact CB-CG2 4.29Å; D258-V261 PolarHBondContact O-N 3.33Å; D258-V261 VanDerWaalsContact O-N 3.16Å; V261-F264 PolarHBondContact O-N 3.05Å; V261-L265 HydrophobicContact CG1-CD1 3.91Å; V261-L265 HydrophobicContact CG1-CG 4.4Å; V261-L265 VanDerWaalsContact O-CG 3.28Å; V261-L265 WeakPolarHBondContact O-CG 3.26Å; V261-L265 PolarHBondContact O-N 2.85Å
262	R	94.9	Very high	92.7	Very high	87 Å²	87	59.8 Å²	59.8	33%	0.328	29%	0.29	S	S	.	.	H	α-helix	trans	-65.4	-42.9	175.3	-163.7	-176.7	-52.7	163.2	15.5	112.7	L175 F176 D258 P259 F264 L265 E266	L175-R262 WeakPolarHBondContact O-CD 3.47Å; L175-R262 PolarHBondContact O-NE 2.64Å; F176-R262 HydrophobicContact CD1-CG 4.03Å; F176-R262 HydrophobicContact CE1-CG 3.94Å; D258-R262 PolarHBondContact O-N 3.05Å; P259-R262 PolarHBondContact O-N 2.86Å; R262-F264 VanDerWaalsContact C-N 3.32Å; R262-F264 PolarHBondContact O-N 2.95Å; R262-L265 PolarHBondContact O-N 3.28Å; R262-E266 WeakPolarHBondContact O-CB 3.47Å; R262-E266 PolarHBondContact O-N 3.49Å
263	E	95.2	Very high	91.6	Very high	47 Å²	47	60.8 Å²	60.8	22%	0.22	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-46.5	173.1	-162.7	-168.7	-163	0	0	110.3	R185 K196 P259 L265 E266 K267 L270	R185-E263 PolarHBondContact NH2-O 3.29Å; K196-E263 IonicContact NZ-OE2 3.43Å; K196-E263 PolarHBondContact NZ-OE2 3.46Å; P259-E263 PolarHBondContact O-N 3.41Å; E263-L265 PolarHBondContact O-N 3Å; E263-E266 PolarHBondContact O-N 3.23Å; E263-K267 HydrophobicContact CG-CB 4Å; E263-K267 HydrophobicContact CG-CD 3.53Å; E263-K267 HydrophobicContact CG-CG 4.44Å; E263-K267 VanDerWaalsContact O-CB 3.28Å; E263-K267 WeakPolarHBondContact O-CB 3.3Å; E263-K267 PolarHBondContact O-N 3.01Å; E263-K267 VanDerWaalsContact O-N 3.11Å; E263-K267 WeakPolarHBondContact OE1-CD 3.36Å; E263-K267 IonicContact OE1-NZ 3.97Å; E263-K267 PolarHBondContact OE1-NZ 3.01Å; E263-L270 HydrophobicContact CB-CD2 4.5Å; E263-L270 HydrophobicContact CG-CD2 3.75Å
264	F	97.3	Very high	90.4	Very high	3 Å²	3	65.1 Å²	65.1	1%	0.013	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-36.7	179.6	-177.8	-89	0	0	0	113.4	V167 R185 D189 F190 L193 L246 D260 V261 R262 L270	V167-F264 HydrophobicContact CG2-CE1 4.47Å; R185-F264 HydrophobicContact CB-CE2 4.34Å; R185-F264 HydrophobicContact CB-CZ 4.05Å; R185-F264 HydrophobicContact CG-CE1 4.23Å; R185-F264 HydrophobicContact CG-CE2 3.93Å; R185-F264 HydrophobicContact CG-CZ 3.66Å; R185-F264 PolarHBondContact NE-O 2.84Å; R185-F264 PolarHBondContact NH2-O 3.48Å; D189-F264 HydrophobicContact CB-CE2 4.12Å; F190-F264 HydrophobicContact CD1-CE1 4.08Å; F190-F264 HydrophobicContact CD1-CE2 4.34Å; F190-F264 AromaticContact CD1-CZ 3.47Å; F190-F264 HydrophobicContact CD1-CZ 3.47Å; F190-F264 VanDerWaalsContact CD1-CZ 3.47Å; F190-F264 HydrophobicContact CD2-CE2 4.42Å; F190-F264 HydrophobicContact CD2-CZ 4.02Å; F190-F264 AromaticContact CE1-CE1 3.96Å; F190-F264 HydrophobicContact CE1-CE1 3.96Å; F190-F264 AromaticContact CE1-CZ 3.54Å; F190-F264 HydrophobicContact CE1-CZ 3.54Å; F190-F264 HydrophobicContact CE2-CZ 4.07Å; F190-F264 HydrophobicContact CG-CE2 4.19Å; F190-F264 AromaticContact CG-CZ 3.72Å; F190-F264 HydrophobicContact CG-CZ 3.72Å; F190-F264 HydrophobicContact CZ-CE1 4.5Å; F190-F264 AromaticContact CZ-CZ 3.84Å; F190-F264 HydrophobicContact CZ-CZ 3.84Å; L193-F264 HydrophobicContact CB-CD2 4.08Å; L193-F264 HydrophobicContact CB-CG 4.43Å; L193-F264 HydrophobicContact CD1-CB 4.09Å; L193-F264 HydrophobicContact CD2-CB 4.11Å; L193-F264 HydrophobicContact CD2-CD1 3.86Å; L193-F264 HydrophobicContact CD2-CD2 4.15Å; L193-F264 HydrophobicContact CD2-CE1 4.37Å; L193-F264 HydrophobicContact CD2-CG 3.75Å; L193-F264 HydrophobicContact CG-CG 4.46Å; L246-F264 HydrophobicContact CD1-CD1 3.97Å; L246-F264 HydrophobicContact CD1-CE1 3.75Å; L246-F264 HydrophobicContact CD2-CE1 4.15Å; D260-F264 WeakPolarHBondContact O-CB 3.31Å; D260-F264 PolarHBondContact O-N 2.83Å; V261-F264 PolarHBondContact O-N 3.05Å; R262-F264 VanDerWaalsContact C-N 3.32Å; R262-F264 PolarHBondContact O-N 2.95Å; F264-L270 HydrophobicContact CD2-CD1 3.7Å; F264-L270 HydrophobicContact CE2-CD1 4.24Å
265	L	97.2	Very high	88.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-80	-37.2	179.1	-67.2	172.8	0	0	0	113.1	V147 V167 F176 F181 V183 L246 V250 V261 R262 E263	V147-L265 HydrophobicContact CG1-CD2 3.89Å; V167-L265 HydrophobicContact CG1-CD2 4.04Å; F176-L265 HydrophobicContact CE1-CB 4.2Å; F176-L265 HydrophobicContact CE1-CD1 3.84Å; F176-L265 HydrophobicContact CZ-CD1 3.85Å; F181-L265 HydrophobicContact CE2-CB 4.06Å; F181-L265 VanDerWaalsContact CE2-O 3.28Å; F181-L265 WeakPolarHBondContact CE2-O 3.1Å; V183-L265 WeakPolarHBondContact CG1-O 3.34Å; V183-L265 WeakPolarHBondContact CG2-O 3.2Å; L246-L265 HydrophobicContact CD1-CD2 4.24Å; L246-L265 HydrophobicContact CD2-CD2 3.89Å; L246-L265 HydrophobicContact CG-CD2 4.33Å; V250-L265 HydrophobicContact CG1-CD1 3.91Å; V261-L265 HydrophobicContact CG1-CD1 3.91Å; V261-L265 HydrophobicContact CG1-CG 4.4Å; V261-L265 VanDerWaalsContact O-CG 3.28Å; V261-L265 WeakPolarHBondContact O-CG 3.26Å; V261-L265 PolarHBondContact O-N 2.85Å; R262-L265 PolarHBondContact O-N 3.28Å; E263-L265 PolarHBondContact O-N 3Å
266	E	94.6	Very high	87.3	Confident	29 Å²	29	66 Å²	66	14%	0.136	34%	0.34	C	S	.	.	H	α-helix	trans	-115.5	-22.7	-159.9	-151.5	-168.1	158.9	0	0	115.5	R177 F181 R262 E263	R177-E266 WeakPolarHBondContact CB-OE1 3.35Å; R177-E266 WeakPolarHBondContact CD-OE1 3.08Å; R177-E266 WeakPolarHBondContact CG-OE1 3.25Å; R177-E266 IonicContact CZ-OE1 2.73Å; R177-E266 PolarHBondContact N-OE1 3.27Å; R177-E266 IonicContact NE-OE1 2.79Å; R177-E266 IonicContact NH1-OE1 2.91Å; R177-E266 PolarHBondContact NH1-OE1 3.39Å; R177-E266 IonicContact NH1-OE2 2.72Å; R177-E266 PolarHBondContact NH1-OE2 2.7Å; F181-E266 HydrophobicContact CD2-CB 4.46Å; F181-E266 HydrophobicContact CD2-CG 4.09Å; F181-E266 HydrophobicContact CE1-CG 4.46Å; F181-E266 HydrophobicContact CE2-CB 4.01Å; F181-E266 HydrophobicContact CE2-CG 3.91Å; F181-E266 HydrophobicContact CG-CG 4.44Å; F181-E266 HydrophobicContact CZ-CB 4.42Å; F181-E266 HydrophobicContact CZ-CG 4.11Å; R262-E266 WeakPolarHBondContact O-CB 3.47Å; R262-E266 PolarHBondContact O-N 3.49Å; E263-E266 PolarHBondContact O-N 3.23Å
267	K	93.3	Very high	85.4	Confident	90 Å²	90	73.4 Å²	73.4	39%	0.391	38%	0.375	S	S	.	.			trans	-79.5	136.7	-177.8	-170.1	178.3	172.3	178.1	0	110.8	R185 E263 E269 L270	R185-K267 PolarHBondContact NH1-O 3.11Å; R185-K267 PolarHBondContact NH2-O 3.19Å; E263-K267 HydrophobicContact CG-CB 4Å; E263-K267 HydrophobicContact CG-CD 3.53Å; E263-K267 HydrophobicContact CG-CG 4.44Å; E263-K267 VanDerWaalsContact O-CB 3.28Å; E263-K267 WeakPolarHBondContact O-CB 3.3Å; E263-K267 PolarHBondContact O-N 3.01Å; E263-K267 VanDerWaalsContact O-N 3.11Å; E263-K267 WeakPolarHBondContact OE1-CD 3.36Å; E263-K267 IonicContact OE1-NZ 3.97Å; E263-K267 PolarHBondContact OE1-NZ 3.01Å; K267-E269 VanDerWaalsContact CD-O 3.27Å; K267-E269 WeakPolarHBondContact CD-O 3.36Å; K267-E269 WeakPolarHBondContact CE-O 3.32Å; K267-E269 WeakPolarHBondContact CG-O 3.36Å; K267-L270 HydrophobicContact CD-CD2 4.48Å
268	E	90	Very high	83.6	Confident	172 Å²	172	71.3 Å²	71.3	80%	0.804	37%	0.371	S	S	*	.	S	Bend	trans	-60.8	-61	-178.6	-170.8	165.4	-161.8	0	0	111.8	R185	R185-E268 PolarHBondContact NH1-O 2.54Å
269	E	86.9	Confident	81.8	Confident	162 Å²	162	72.1 Å²	72.1	76%	0.757	38%	0.375	S	S	*	.	S	Bend	trans	-101.9	134.7	175.6	-60.6	-169.1	147.1	0	0	112.7	K267	K267-E269 VanDerWaalsContact CD-O 3.27Å; K267-E269 WeakPolarHBondContact CD-O 3.36Å; K267-E269 WeakPolarHBondContact CE-O 3.32Å; K267-E269 WeakPolarHBondContact CG-O 3.36Å
270	L	84.5	Confident	79.8	Confident	41 Å²	41	69.4 Å²	69.4	22%	0.215	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-99.7	144.4	167.9	-68.9	177	0	0	0	110.9	D189 E263 F264 K267 R272	D189-L270 HydrophobicContact CB-CD1 4.14Å; E263-L270 HydrophobicContact CB-CD2 4.5Å; E263-L270 HydrophobicContact CG-CD2 3.75Å; F264-L270 HydrophobicContact CD2-CD1 3.7Å; F264-L270 HydrophobicContact CE2-CD1 4.24Å; K267-L270 HydrophobicContact CD-CD2 4.48Å; L270-R272 PolarHBondContact O-N 3.22Å
271	P	80.9	Confident	77.8	Confident	90 Å²	90	68.6 Å²	68.6	58%	0.584	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-53.8	134.2	167	-23.4	34.1	0	0	0	110.8	A273	P271-A273 PolarHBondContact O-N 2.86Å
272	R	72.7	Confident	75.6	Confident	191 Å²	191	71.3 Å²	71.3	72%	0.721	38%	0.38	S	S	*	.			trans	-61.3	107.6	-174.7	-166.1	-176.8	84.4	163.1	1.6	110.5	L270 V274	L270-R272 PolarHBondContact O-N 3.22Å; R272-V274 PolarHBondContact O-N 2.64Å
273	A	74.1	Confident	73.4	Confident	26 Å²	26	68 Å²	68	22%	0.215	37%	0.373	C	S	.	.			trans	-50.4	115	-179.6	0	0	0	0	0	111.6	P271 T276	P271-A273 PolarHBondContact O-N 2.86Å; A273-T276 HydrophobicContact CB-CG2 3.68Å
274	V	68.3	Low	71.4	Confident	117 Å²	117	67.2 Å²	67.2	71%	0.709	37%	0.37	S	S	*	.			trans	-91.3	172.4	170.9	-65.1	0	0	0	0	109.2	R272 T276	R272-V274 PolarHBondContact O-N 2.64Å; V274-T276 PolarHBondContact O-N 3.37Å
275	G	62.4	Low	69.2	Low	50 Å²	50	71.8 Å²	71.8	52%	0.515	39%	0.394	S	S	.	.	S	Bend	trans	77.1	-37.2	174.1	0	0	0	0	0	115.5	Q277 T278	G275-Q277 PolarHBondContact O-N 2.88Å; G275-T278 PolarHBondContact O-N 3.23Å; G275-T278 PolarHBondContact O-OG1 3.18Å
276	T	65.4	Low	67.2	Low	15 Å²	15	78.7 Å²	78.7	9%	0.092	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-7.4	-168.6	70.2	0	0	0	0	117.1	L191 K214 A273 V274 T278 L279	L191-T276 HydrophobicContact CB-CG2 4.11Å; K214-T276 WeakPolarHBondContact CE-O 3.23Å; K214-T276 PolarHBondContact NZ-O 3.2Å; A273-T276 HydrophobicContact CB-CG2 3.68Å; V274-T276 PolarHBondContact O-N 3.37Å; T276-T278 PolarHBondContact O-N 3.12Å; T276-L279 PolarHBondContact O-N 2.91Å
277	Q	56.7	Low	65.4	Low	157 Å²	157	83.3 Å²	83.3	73%	0.734	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-37.3	173.3	-64.9	-63.4	17	0	0	112.6	K214 G275 L279	K214-Q277 VanDerWaalsContact NZ-CA 3.27Å; K214-Q277 PolarHBondContact NZ-O 3.23Å; G275-Q277 PolarHBondContact O-N 2.88Å; Q277-L279 VanDerWaalsContact C-N 3.26Å; Q277-L279 PolarHBondContact O-N 2.93Å
278	T	56.7	Low	63.5	Low	86 Å²	86	80.9 Å²	80.9	53%	0.528	44%	0.437	S	S	.	.	S	Bend	trans	-49.8	-42.5	172.7	51.6	0	0	0	0	112.8	G275 T276 S280 G283	G275-T278 PolarHBondContact O-N 3.23Å; G275-T278 PolarHBondContact O-OG1 3.18Å; T276-T278 PolarHBondContact O-N 3.12Å; T278-S280 PolarHBondContact O-N 3.33Å; T278-G283 WeakPolarHBondContact O-CA 3.35Å
279	L	57.6	Low	61.6	Low	26 Å²	26	77 Å²	77	14%	0.136	42%	0.422	C	S	.	.			trans	-75.2	44	-176.5	-62.6	174.5	0	0	0	114.5	L191 Y194 E195 K214 T276 Q277	L191-L279 HydrophobicContact CB-CD1 3.97Å; L191-L279 VanDerWaalsContact O-CD1 3.24Å; L191-L279 WeakPolarHBondContact O-CD1 3.12Å; Y194-L279 HydrophobicContact CD1-CD1 4.09Å; Y194-L279 HydrophobicContact CD1-CD2 3.86Å; Y194-L279 HydrophobicContact CE1-CD2 3.85Å; E195-L279 HydrophobicContact CB-CD1 3.89Å; E195-L279 HydrophobicContact CG-CD1 4.18Å; K214-L279 WeakPolarHBondContact CE-O 3.37Å; K214-L279 WeakPolarHBondContact CG-O 3.19Å; T276-L279 PolarHBondContact O-N 2.91Å; Q277-L279 VanDerWaalsContact C-N 3.26Å; Q277-L279 PolarHBondContact O-N 2.93Å
280	S	54.7	Low	59.9	Low	37 Å²	37	76.8 Å²	76.8	26%	0.259	42%	0.418	S	S	.	.	S	Bend	trans	-81.4	160.2	160.3	62.1	0	0	0	0	110.4	T278 A282 G283 L284	T278-S280 PolarHBondContact O-N 3.33Å; S280-A282 PolarHBondContact O-N 3.03Å; S280-G283 VanDerWaalsContact O-CA 3.31Å; S280-G283 WeakPolarHBondContact O-CA 3.49Å; S280-G283 PolarHBondContact O-N 2.89Å; S280-G283 PolarHBondContact OG-N 3.29Å; S280-G283 VanDerWaalsContact OG-N 3.12Å; S280-L284 PolarHBondContact O-N 3.42Å; S280-L284 VanDerWaalsContact O-N 3.11Å
281	G	54.2	Low	58.2	Low	14 Å²	14	75.6 Å²	75.6	14%	0.144	41%	0.414	C	S	.	.	H	α-helix	trans	-56.5	-40	172.7	0	0	0	0	0	111.8	E213 G283 L284 L285	E213-G281 WeakPolarHBondContact OE2-CA 3.47Å; G281-G283 PolarHBondContact O-N 3.16Å; G281-L284 PolarHBondContact O-N 2.8Å; G281-L285 WeakPolarHBondContact O-CB 3.4Å; G281-L285 PolarHBondContact O-N 3.44Å
282	A	50.1	Low	56.8	Low	58 Å²	58	75 Å²	75	48%	0.479	41%	0.409	S	S	.	.	H	α-helix	trans	-64.1	-21	170.9	0	0	0	0	0	114.3	S280 K286	S280-A282 PolarHBondContact O-N 3.03Å; A282-K286 WeakPolarHBondContact O-CB 3.28Å; A282-K286 WeakPolarHBondContact O-CD 3.36Å; A282-K286 WeakPolarHBondContact O-CG 3.17Å; A282-K286 PolarHBondContact O-N 3.2Å
283	G	49.6	Very low	55.8	Low	17 Å²	17	70.2 Å²	70.2	18%	0.175	40%	0.397	C	S	.	.	H	α-helix	trans	-76.5	-47.2	173	0	0	0	0	0	112.2	T278 S280 G281 K286 M287	T278-G283 WeakPolarHBondContact O-CA 3.35Å; S280-G283 VanDerWaalsContact O-CA 3.31Å; S280-G283 WeakPolarHBondContact O-CA 3.49Å; S280-G283 PolarHBondContact O-N 2.89Å; S280-G283 PolarHBondContact OG-N 3.29Å; S280-G283 VanDerWaalsContact OG-N 3.12Å; G281-G283 PolarHBondContact O-N 3.16Å; G283-K286 PolarHBondContact O-N 3.39Å; G283-M287 PolarHBondContact O-N 3.25Å
284	L	51.8	Low	54.9	Low	31 Å²	31	70.9 Å²	70.9	16%	0.162	40%	0.403	C	S	.	.	H	α-helix	trans	-55.5	-51.9	168.3	-73.1	169.9	0	0	0	110	S280 G281 K286 M287 F288	S280-L284 PolarHBondContact O-N 3.42Å; S280-L284 VanDerWaalsContact O-N 3.11Å; G281-L284 PolarHBondContact O-N 2.8Å; L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 2.87Å; L284-M287 CarbonylContact O-C 3.57Å; L284-M287 WeakPolarHBondContact O-CA 3.17Å; L284-M287 WeakPolarHBondContact O-CB 3.43Å; L284-M287 PolarHBondContact O-N 2.93Å; L284-F288 HydrophobicContact CB-CD2 4.39Å; L284-F288 HydrophobicContact CB-CE2 4.19Å; L284-F288 WeakPolarHBondContact O-CD2 3.45Å; L284-F288 PolarHBondContact O-N 3.36Å
285	L	52.7	Low	54	Low	99 Å²	99	68.9 Å²	68.9	52%	0.518	39%	0.391	S	S	.	.	H	α-helix	trans	-63	-30.6	-179.6	-154.6	123.4	0	0	0	113.2	G281 F288 N289	G281-L285 WeakPolarHBondContact O-CB 3.4Å; G281-L285 PolarHBondContact O-N 3.44Å; L285-F288 PolarHBondContact O-N 3.19Å; L285-N289 WeakPolarHBondContact O-CB 3.23Å; L285-N289 PolarHBondContact O-N 2.7Å; L285-N289 PolarHBondContact O-OD1 2.98Å
286	K	54.5	Low	53.4	Low	145 Å²	145	70.2 Å²	70.2	63%	0.63	39%	0.393	S	S	*	.	H	α-helix	trans	-74.7	-27	171	-79.7	170.5	-176.4	179.5	0	113.5	A282 G283 L284 K290	A282-K286 WeakPolarHBondContact O-CB 3.28Å; A282-K286 WeakPolarHBondContact O-CD 3.36Å; A282-K286 WeakPolarHBondContact O-CG 3.17Å; A282-K286 PolarHBondContact O-N 3.2Å; G283-K286 PolarHBondContact O-N 3.39Å; L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 2.87Å; K286-K290 WeakPolarHBondContact O-CB 3.45Å; K286-K290 VanDerWaalsContact O-CG 3.26Å; K286-K290 WeakPolarHBondContact O-CG 3.29Å; K286-K290 PolarHBondContact O-N 3.15Å
287	M	56.8	Low	52.5	Low	125 Å²	125	77.5 Å²	77.5	62%	0.616	42%	0.423	S	S	*	.	H	α-helix	trans	-74	-39.5	168.2	-66.5	-152.5	-63.2	0	0	111.1	G283 L284 K290 A291	G283-M287 PolarHBondContact O-N 3.25Å; L284-M287 CarbonylContact O-C 3.57Å; L284-M287 WeakPolarHBondContact O-CA 3.17Å; L284-M287 WeakPolarHBondContact O-CB 3.43Å; L284-M287 PolarHBondContact O-N 2.93Å; M287-K290 CarbonylContact O-C 3.54Å; M287-K290 PolarHBondContact O-N 3.42Å; M287-A291 PolarHBondContact O-N 3.24Å
288	F	53.1	Low	51.8	Low	40 Å²	40	73.5 Å²	73.5	18%	0.175	41%	0.405	C	S	.	.	H	α-helix	trans	-63.8	-47.9	174.2	-72.6	-61	0	0	0	112.7	L284 L285 K290 A291 T292 A404 I405 A408	L284-F288 HydrophobicContact CB-CD2 4.39Å; L284-F288 HydrophobicContact CB-CE2 4.19Å; L284-F288 WeakPolarHBondContact O-CD2 3.45Å; L284-F288 PolarHBondContact O-N 3.36Å; L285-F288 PolarHBondContact O-N 3.19Å; F288-K290 PolarHBondContact O-N 3.02Å; F288-A291 CarbonylContact O-C 3.55Å; F288-A291 WeakPolarHBondContact O-CA 3.48Å; F288-A291 WeakPolarHBondContact O-CB 3.41Å; F288-A291 PolarHBondContact O-N 3.5Å; F288-T292 PolarHBondContact O-N 2.76Å; F288-T292 PolarHBondContact O-OG1 2.97Å; F288-T292 VanDerWaalsContact O-OG1 3.12Å; F288-A404 HydrophobicContact CE1-CB 4.15Å; F288-A404 WeakPolarHBondContact CE1-O 3.29Å; F288-A404 HydrophobicContact CE2-CB 3.98Å; F288-A404 HydrophobicContact CZ-CB 3.62Å; F288-A404 WeakPolarHBondContact CZ-O 3.2Å; F288-I405 HydrophobicContact CZ-CD1 4.42Å; F288-A408 HydrophobicContact CE1-CB 4.1Å
289	N	49.2	Very low	51.1	Low	91 Å²	91	75.4 Å²	75.4	49%	0.487	42%	0.417	S	S	.	.	H	α-helix	trans	-61.4	-34.6	175.6	-72.6	12	0	0	0	111.8	L285 T292 D293	L285-N289 WeakPolarHBondContact O-CB 3.23Å; L285-N289 PolarHBondContact O-N 2.7Å; L285-N289 PolarHBondContact O-OD1 2.98Å; N289-T292 PolarHBondContact O-N 2.91Å; N289-D293 VanDerWaalsContact O-CB 3.3Å; N289-D293 WeakPolarHBondContact O-CB 3.29Å; N289-D293 PolarHBondContact O-N 2.82Å
290	K	51.6	Low	50.5	Low	156 Å²	156	78.1 Å²	78.1	68%	0.678	43%	0.431	S	S	*	.	H	α-helix	trans	-69	-31.6	171.6	-78.4	179	177.1	-173.2	0	113.4	K286 M287 F288 A294	K286-K290 WeakPolarHBondContact O-CB 3.45Å; K286-K290 VanDerWaalsContact O-CG 3.26Å; K286-K290 WeakPolarHBondContact O-CG 3.29Å; K286-K290 PolarHBondContact O-N 3.15Å; M287-K290 CarbonylContact O-C 3.54Å; M287-K290 PolarHBondContact O-N 3.42Å; F288-K290 PolarHBondContact O-N 3.02Å; K290-A294 WeakPolarHBondContact O-CB 3.4Å; K290-A294 PolarHBondContact O-N 3.48Å
291	A	49.7	Very low	50.1	Low	17 Å²	17	85.7 Å²	85.7	14%	0.14	46%	0.459	C	S	.	.	H	α-helix	trans	-68.5	-48	172	0	0	0	0	0	110.4	M287 F288 D293 A294 V295 D411	M287-A291 PolarHBondContact O-N 3.24Å; F288-A291 CarbonylContact O-C 3.55Å; F288-A291 WeakPolarHBondContact O-CA 3.48Å; F288-A291 WeakPolarHBondContact O-CB 3.41Å; F288-A291 PolarHBondContact O-N 3.5Å; A291-D293 PolarHBondContact O-N 3.43Å; A291-A294 CarbonylContact O-C 3.59Å; A291-A294 WeakPolarHBondContact O-CB 3.41Å; A291-A294 PolarHBondContact O-N 3.3Å; A291-A294 VanDerWaalsContact O-N 3.09Å; A291-V295 WeakPolarHBondContact O-CB 3.45Å; A291-V295 WeakPolarHBondContact O-CG2 3.25Å; A291-V295 PolarHBondContact O-N 2.96Å; A291-D411 WeakPolarHBondContact CB-OD2 3.48Å
292	T	51.6	Low	50.2	Low	76 Å²	76	86.8 Å²	86.8	47%	0.466	46%	0.461	S	S	.	.	H	α-helix	trans	-61.1	-41.3	175.4	-48.8	0	0	0	0	112.5	F288 N289 A294 S296	F288-T292 PolarHBondContact O-N 2.76Å; F288-T292 PolarHBondContact O-OG1 2.97Å; F288-T292 VanDerWaalsContact O-OG1 3.12Å; N289-T292 PolarHBondContact O-N 2.91Å; T292-A294 VanDerWaalsContact C-N 3.34Å; T292-S296 WeakPolarHBondContact O-CB 3.44Å; T292-S296 PolarHBondContact O-N 2.93Å; T292-S296 PolarHBondContact O-OG 3.09Å
293	D	50.2	Low	50.7	Low	91 Å²	91	90.5 Å²	90.5	49%	0.487	47%	0.473	S	S	.	.	H	α-helix	trans	-66.2	-33.8	172.9	-85.9	-9.4	0	0	0	112.5	N289 A291 S296 K297	N289-D293 VanDerWaalsContact O-CB 3.3Å; N289-D293 WeakPolarHBondContact O-CB 3.29Å; N289-D293 PolarHBondContact O-N 2.82Å; A291-D293 PolarHBondContact O-N 3.43Å; D293-S296 WeakPolarHBondContact CA-OG 2.98Å; D293-S296 PolarHBondContact O-OG 3.17Å; D293-K297 WeakPolarHBondContact O-CB 3.33Å; D293-K297 WeakPolarHBondContact O-CD 3.32Å; D293-K297 VanDerWaalsContact O-CG 3.29Å; D293-K297 WeakPolarHBondContact O-CG 3.31Å; D293-K297 PolarHBondContact O-N 3.02Å
294	A	55.2	Low	51.6	Low	41 Å²	41	91.3 Å²	91.3	34%	0.339	47%	0.472	S	S	.	.	H	α-helix	trans	-72.5	-44.5	175.8	0	0	0	0	0	111.2	K290 A291 T292 K297 M298	K290-A294 WeakPolarHBondContact O-CB 3.4Å; K290-A294 PolarHBondContact O-N 3.48Å; A291-A294 CarbonylContact O-C 3.59Å; A291-A294 WeakPolarHBondContact O-CB 3.41Å; A291-A294 PolarHBondContact O-N 3.3Å; A291-A294 VanDerWaalsContact O-N 3.09Å; T292-A294 VanDerWaalsContact C-N 3.34Å; A294-K297 CarbonylContact O-C 3.59Å; A294-K297 PolarHBondContact O-N 3.16Å; A294-M298 WeakPolarHBondContact O-CB 3.4Å; A294-M298 VanDerWaalsContact O-CG 3.29Å; A294-M298 WeakPolarHBondContact O-CG 3.42Å; A294-M298 PolarHBondContact O-N 2.91Å
295	V	51.1	Low	52.4	Low	74 Å²	74	94.8 Å²	94.8	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-65	-45	177.6	170.1	0	0	0	0	111	A291 K297 M298	A291-V295 WeakPolarHBondContact O-CB 3.45Å; A291-V295 WeakPolarHBondContact O-CG2 3.25Å; A291-V295 PolarHBondContact O-N 2.96Å; V295-K297 VanDerWaalsContact C-N 3.27Å; V295-K297 PolarHBondContact O-N 3.47Å; V295-M298 CarbonylContact O-C 3.58Å; V295-M298 VanDerWaalsContact O-C 3.27Å; V295-M298 WeakPolarHBondContact O-CA 3.49Å; V295-M298 PolarHBondContact O-N 3.18Å
296	S	48.4	Very low	53.9	Low	79 Å²	79	91.5 Å²	91.5	55%	0.552	48%	0.482	S	S	*	.	H	α-helix	trans	-68.2	-23.8	176.7	56.3	0	0	0	0	113.7	T292 D293	T292-S296 WeakPolarHBondContact O-CB 3.44Å; T292-S296 PolarHBondContact O-N 2.93Å; T292-S296 PolarHBondContact O-OG 3.09Å; D293-S296 WeakPolarHBondContact CA-OG 2.98Å; D293-S296 PolarHBondContact O-OG 3.17Å
297	K	46.2	Very low	55.6	Low	167 Å²	167	89.8 Å²	89.8	73%	0.726	48%	0.478	S	S	*	.	H	α-helix	trans	-84.1	-23.6	167.5	-73.9	172.9	-178.5	164.5	0	113.5	D293 A294 V295 T299	D293-K297 WeakPolarHBondContact O-CB 3.33Å; D293-K297 WeakPolarHBondContact O-CD 3.32Å; D293-K297 VanDerWaalsContact O-CG 3.29Å; D293-K297 WeakPolarHBondContact O-CG 3.31Å; D293-K297 PolarHBondContact O-N 3.02Å; A294-K297 CarbonylContact O-C 3.59Å; A294-K297 PolarHBondContact O-N 3.16Å; V295-K297 VanDerWaalsContact C-N 3.27Å; V295-K297 PolarHBondContact O-N 3.47Å; K297-T299 PolarHBondContact O-N 3.33Å
298	M	42.7	Very low	57.4	Low	73 Å²	73	85.1 Å²	85.1	36%	0.36	45%	0.454	S	S	.	.			trans	-77.6	68.7	165	-70.8	178.5	-170.4	0	0	109.4	A294 V295 I300	A294-M298 WeakPolarHBondContact O-CB 3.4Å; A294-M298 VanDerWaalsContact O-CG 3.29Å; A294-M298 WeakPolarHBondContact O-CG 3.42Å; A294-M298 PolarHBondContact O-N 2.91Å; V295-M298 CarbonylContact O-C 3.58Å; V295-M298 VanDerWaalsContact O-C 3.27Å; V295-M298 WeakPolarHBondContact O-CA 3.49Å; V295-M298 PolarHBondContact O-N 3.18Å; M298-I300 PolarHBondContact O-N 2.95Å
299	T	41.9	Very low	59.4	Low	126 Å²	126	83.3 Å²	83.3	77%	0.773	45%	0.446	S	S	*	.			trans	-63.9	4	168.6	-32.2	0	0	0	0	112.8	K297 K301	K297-T299 PolarHBondContact O-N 3.33Å; T299-K301 VanDerWaalsContact C-N 3.33Å; T299-K301 PolarHBondContact O-N 3.18Å
300	I	44.6	Very low	61.4	Low	84 Å²	84	83.4 Å²	83.4	43%	0.431	44%	0.443	S	S	.	.			trans	-66.5	93.3	161.8	-55.1	174	0	0	0	107	M298 M302 W417	M298-I300 PolarHBondContact O-N 2.95Å; I300-M302 PolarHBondContact O-N 2.84Å; I300-W417 HydrophobicContact CG2-CH2 4.24Å; I300-W417 HydrophobicContact CG2-CZ3 4.04Å
301	K	46.6	Very low	63.4	Low	195 Å²	195	81.2 Å²	81.2	85%	0.848	44%	0.436	S	S	*	.			trans	-52.8	117.3	158.9	-77.5	-167.2	171.3	-164.7	0	107.3	T299 N303	T299-K301 VanDerWaalsContact C-N 3.33Å; T299-K301 PolarHBondContact O-N 3.18Å; K301-N303 PolarHBondContact O-N 2.9Å
302	M	57.4	Low	65.6	Low	38 Å²	38	81.4 Å²	81.4	19%	0.187	43%	0.433	C	S	.	.			trans	-55.5	126.3	162.2	-170.8	169.6	176.7	0	0	106.6	I300 E304 M414 W417 F467	I300-M302 PolarHBondContact O-N 2.84Å; M302-E304 HydrophobicContact CB-CB 4.47Å; M302-E304 WeakPolarHBondContact CE-OE2 3.29Å; M302-E304 HydrophobicContact CG-CB 4.07Å; M302-E304 PolarHBondContact O-N 3.48Å; M302-E304 HydrophobicContact SD-CB 4.33Å; M302-M414 HydrophobicContact CB-CE 4.03Å; M302-M414 HydrophobicContact CB-SD 4.03Å; M302-M414 HydrophobicContact CG-SD 4.18Å; M302-M414 HydrophobicContact SD-SD 3.61Å; M302-M414 VanDerWaalsContact SD-SD 3.61Å; M302-W417 HydrophobicContact CB-CE3 4.45Å; M302-W417 HydrophobicContact CB-CH2 4.22Å; M302-W417 HydrophobicContact CB-CZ3 4.17Å; M302-W417 HydrophobicContact CE-CB 4.12Å; M302-W417 VanDerWaalsContact CE-CD1 3.47Å; M302-W417 HydrophobicContact CE-CD2 3.85Å; M302-W417 HydrophobicContact CE-CG 3.55Å; M302-W417 HydrophobicContact CG-CD2 3.86Å; M302-W417 HydrophobicContact CG-CE3 3.96Å; M302-W417 HydrophobicContact CG-CH2 3.96Å; M302-W417 HydrophobicContact CG-CZ2 3.82Å; M302-W417 HydrophobicContact CG-CZ3 4.02Å; M302-W417 HydrophobicContact SD-CD2 4.09Å; M302-W417 HydrophobicContact SD-CE3 4.35Å; M302-W417 HydrophobicContact SD-CG 4.24Å; M302-F467 HydrophobicContact CE-CE2 4.29Å; M302-F467 HydrophobicContact CE-CZ 4.02Å
303	N	60.1	Low	67.7	Low	136 Å²	136	80 Å²	80	73%	0.727	42%	0.423	S	S	*	.			trans	-77.6	72	162.5	-173.6	85.7	0	0	0	106.3	K301 S305	K301-N303 PolarHBondContact O-N 2.9Å; N303-S305 PolarHBondContact O-N 3.05Å
304	E	68.2	Low	69.8	Low	33 Å²	33	80.7 Å²	80.7	15%	0.154	42%	0.423	C	S	.	.			trans	-64.7	101.3	-177.8	178.4	57.3	-78.3	0	0	108.2	M302 D306 F309 E310 R413	M302-E304 HydrophobicContact CB-CB 4.47Å; M302-E304 WeakPolarHBondContact CE-OE2 3.29Å; M302-E304 HydrophobicContact CG-CB 4.07Å; M302-E304 PolarHBondContact O-N 3.48Å; M302-E304 HydrophobicContact SD-CB 4.33Å; E304-D306 VanDerWaalsContact C-N 3.32Å; E304-D306 WeakPolarHBondContact CG-O 3.37Å; E304-D306 WeakPolarHBondContact OE1-CB 3.23Å; E304-D306 PolarHBondContact OE1-N 3.3Å; E304-F309 WeakPolarHBondContact OE2-CB 3.44Å; E304-E310 HydrophobicContact CG-CB 4.21Å; E304-R413 VanDerWaalsContact CD-NH2 3.33Å; E304-R413 IonicContact OE1-NH2 3.29Å; E304-R413 PolarHBondContact OE1-NH2 2.9Å; E304-R413 VanDerWaalsContact OE1-NH2 3.13Å; E304-R413 IonicContact OE2-CZ 2.79Å; E304-R413 IonicContact OE2-NH1 3.9Å; E304-R413 PolarHBondContact OE2-NH1 3.39Å; E304-R413 IonicContact OE2-NH2 3.2Å; E304-R413 PolarHBondContact OE2-NH2 3.39Å
305	S	68.3	Low	71.8	Confident	104 Å²	104	83.5 Å²	83.5	73%	0.727	43%	0.429	S	S	*	.			trans	-79.2	-21.4	178.2	50.2	0	0	0	0	112.1	N303 I307	N303-S305 PolarHBondContact O-N 3.05Å; S305-I307 PolarHBondContact O-N 3.11Å
306	D	84.3	Confident	74	Confident	30 Å²	30	80 Å²	80	16%	0.16	41%	0.408	C	S	.	.			trans	-98.2	83.3	-179.5	-167.1	-16.4	0	0	0	108.8	E304 W308 F309 R475	E304-D306 VanDerWaalsContact C-N 3.32Å; E304-D306 WeakPolarHBondContact CG-O 3.37Å; E304-D306 WeakPolarHBondContact OE1-CB 3.23Å; E304-D306 PolarHBondContact OE1-N 3.3Å; D306-W308 PolarHBondContact O-N 3.26Å; D306-F309 HydrophobicContact CB-CD2 3.87Å; D306-F309 HydrophobicContact CB-CE2 4.43Å; D306-F309 PolarHBondContact O-N 2.87Å; D306-F309 WeakPolarHBondContact OD2-CD2 3.48Å; D306-F309 VanDerWaalsContact OD2-CE2 3.28Å; D306-F309 WeakPolarHBondContact OD2-CE2 3.25Å; D306-R475 IonicContact OD1-CZ 3.25Å; D306-R475 IonicContact OD1-NH2 2.65Å; D306-R475 PolarHBondContact OD1-NH2 3.24Å; D306-R475 IonicContact OD2-CZ 2.91Å; D306-R475 IonicContact OD2-NH1 2.75Å; D306-R475 PolarHBondContact OD2-NH1 3.33Å; D306-R475 IonicContact OD2-NH2 3.36Å; D306-R475 PolarHBondContact OD2-NH2 3.47Å
307	I	89.8	Confident	76.3	Confident	109 Å²	109	80.2 Å²	80.2	56%	0.559	40%	0.4	S	S	*	.	H	α-helix	trans	-47.2	-34.8	-174.7	-64.8	172.1	0	0	0	112.3	S305 F309 E310 E311	S305-I307 PolarHBondContact O-N 3.11Å; I307-F309 VanDerWaalsContact C-N 3.26Å; I307-F309 PolarHBondContact O-N 2.82Å; I307-E310 PolarHBondContact O-N 2.96Å; I307-E310 VanDerWaalsContact O-N 3.1Å; I307-E311 VanDerWaalsContact CG2-CD 3.46Å; I307-E311 HydrophobicContact CG2-CG 3.88Å; I307-E311 PolarHBondContact O-N 3.27Å
308	W	95	Very high	78.8	Confident	27 Å²	27	75.4 Å²	75.4	10%	0.102	39%	0.387	C	S	.	.	H	α-helix	trans	-54.8	-37.9	176.7	-178.9	87.8	0	0	0	112.9	D306 K312 R475 V478 M479	D306-W308 PolarHBondContact O-N 3.26Å; W308-K312 HydrophobicContact CD2-CB 4.47Å; W308-K312 HydrophobicContact CH2-CG 4.24Å; W308-K312 HydrophobicContact CZ2-CB 4.43Å; W308-K312 HydrophobicContact CZ2-CG 4.03Å; W308-K312 WeakPolarHBondContact O-CB 3.42Å; W308-K312 PolarHBondContact O-N 2.86Å; W308-R475 HydrophobicContact CH2-CB 4.06Å; W308-R475 HydrophobicContact CH2-CG 3.98Å; W308-R475 HydrophobicContact CZ2-CG 4.19Å; W308-R475 HydrophobicContact CZ3-CB 4.02Å; W308-R475 HydrophobicContact CZ3-CG 4.16Å; W308-V478 HydrophobicContact CH2-CB 4.02Å; W308-V478 HydrophobicContact CH2-CG1 4.03Å; W308-V478 HydrophobicContact CH2-CG2 4.44Å; W308-V478 HydrophobicContact CZ2-CG1 4.22Å; W308-M479 HydrophobicContact CZ2-SD 4.33Å
309	F	95.1	Very high	81.4	Confident	2 Å²	2	73.6 Å²	73.6	1%	0.009	38%	0.378	C	S	.	.	H	α-helix	trans	-72	-35.3	178.5	-77	-85.9	0	0	0	112.6	E304 D306 I307 L313 F410 R413 V474 R475	E304-F309 WeakPolarHBondContact OE2-CB 3.44Å; D306-F309 HydrophobicContact CB-CD2 3.87Å; D306-F309 HydrophobicContact CB-CE2 4.43Å; D306-F309 PolarHBondContact O-N 2.87Å; D306-F309 WeakPolarHBondContact OD2-CD2 3.48Å; D306-F309 VanDerWaalsContact OD2-CE2 3.28Å; D306-F309 WeakPolarHBondContact OD2-CE2 3.25Å; I307-F309 VanDerWaalsContact C-N 3.26Å; I307-F309 PolarHBondContact O-N 2.82Å; F309-L313 VanDerWaalsContact O-CB 3.24Å; F309-L313 WeakPolarHBondContact O-CB 3.33Å; F309-L313 PolarHBondContact O-N 3.31Å; F309-F410 HydrophobicContact CB-CE1 4.22Å; F309-F410 AromaticContact CD1-CD1 3.96Å; F309-F410 HydrophobicContact CD1-CD1 3.96Å; F309-F410 AromaticContact CD1-CE1 3.64Å; F309-F410 HydrophobicContact CD1-CE1 3.64Å; F309-F410 HydrophobicContact CD1-CZ 4.37Å; F309-F410 HydrophobicContact CG-CE1 4.38Å; F309-F410 WeakPolarHBondContact O-CE1 3.39Å; F309-R413 VanDerWaalsContact CD2-CZ 3.4Å; F309-R413 VanDerWaalsContact CD2-NH2 3.26Å; F309-V474 HydrophobicContact CE1-CB 4.24Å; F309-V474 HydrophobicContact CE1-CG1 3.95Å; F309-R475 HydrophobicContact CZ-CB 4.4Å
310	E	90.6	Very high	84	Confident	93 Å²	93	68.7 Å²	68.7	44%	0.435	35%	0.346	S	S	.	.	H	α-helix	trans	-69	-51.9	176.6	-179.1	64.1	-145.4	0	0	110.3	E304 I307 K312 L313 Q314	E304-E310 HydrophobicContact CG-CB 4.21Å; I307-E310 PolarHBondContact O-N 2.96Å; I307-E310 VanDerWaalsContact O-N 3.1Å; E310-K312 VanDerWaalsContact C-N 3.34Å; E310-K312 PolarHBondContact O-N 3.28Å; E310-L313 PolarHBondContact O-N 2.86Å; E310-Q314 WeakPolarHBondContact O-CG 3.2Å; E310-Q314 PolarHBondContact O-N 3.49Å; E310-Q314 VanDerWaalsContact O-N 3.12Å; E310-Q314 PolarHBondContact OE1-NE2 2.97Å
311	E	94.5	Very high	86.5	Confident	111 Å²	111	70.2 Å²	70.2	52%	0.519	35%	0.351	S	S	.	.	H	α-helix	trans	-58.8	-44.9	177	-69.1	178.7	155	0	0	111.1	I307 L313 Q314 E315	I307-E311 VanDerWaalsContact CG2-CD 3.46Å; I307-E311 HydrophobicContact CG2-CG 3.88Å; I307-E311 PolarHBondContact O-N 3.27Å; E311-L313 PolarHBondContact O-N 2.87Å; E311-Q314 PolarHBondContact O-N 3.3Å; E311-E315 PolarHBondContact O-N 3.49Å
312	K	96.6	Very high	89	Confident	21 Å²	21	67.7 Å²	67.7	9%	0.091	34%	0.336	C	S	.	.	H	α-helix	trans	-72.3	-31.1	-176.8	-159.6	57.7	167	-177.4	0	113.8	W308 E310 E315 V316 F410 V478 E482	W308-K312 HydrophobicContact CD2-CB 4.47Å; W308-K312 HydrophobicContact CH2-CG 4.24Å; W308-K312 HydrophobicContact CZ2-CB 4.43Å; W308-K312 HydrophobicContact CZ2-CG 4.03Å; W308-K312 WeakPolarHBondContact O-CB 3.42Å; W308-K312 PolarHBondContact O-N 2.86Å; E310-K312 VanDerWaalsContact C-N 3.34Å; E310-K312 PolarHBondContact O-N 3.28Å; K312-E315 HydrophobicContact CD-CB 4.35Å; K312-E315 VanDerWaalsContact CD-OE2 3.23Å; K312-E315 WeakPolarHBondContact CD-OE2 3.5Å; K312-E315 WeakPolarHBondContact CE-OE2 3.36Å; K312-E315 IonicContact NZ-OE2 2.76Å; K312-E315 PolarHBondContact NZ-OE2 3.05Å; K312-V316 WeakPolarHBondContact O-CB 3.29Å; K312-V316 VanDerWaalsContact O-CG2 3.29Å; K312-V316 WeakPolarHBondContact O-CG2 3.35Å; K312-V316 PolarHBondContact O-N 2.97Å; K312-V316 VanDerWaalsContact O-N 3.07Å; K312-F410 HydrophobicContact CB-CZ 4.16Å; K312-F410 HydrophobicContact CG-CZ 4.24Å; K312-V478 HydrophobicContact CG-CG1 3.92Å; K312-E482 VanDerWaalsContact CE-CD 3.44Å; K312-E482 WeakPolarHBondContact CE-OE2 3.41Å; K312-E482 IonicContact NZ-OE1 2.72Å; K312-E482 PolarHBondContact NZ-OE1 3.43Å; K312-E482 VanDerWaalsContact NZ-OE1 3.1Å; K312-E482 IonicContact NZ-OE2 2.86Å; K312-E482 PolarHBondContact NZ-OE2 3.22Å
313	L	94.8	Very high	90.9	Very high	47 Å²	47	66.7 Å²	66.7	25%	0.246	33%	0.332	C	S	.	.	H	α-helix	trans	-66.2	-43.1	171.4	-178.1	58	0	0	0	110.9	F309 E310 E311 E315 V316 E317 R407 F410	F309-L313 VanDerWaalsContact O-CB 3.24Å; F309-L313 WeakPolarHBondContact O-CB 3.33Å; F309-L313 PolarHBondContact O-N 3.31Å; E310-L313 PolarHBondContact O-N 2.86Å; E311-L313 PolarHBondContact O-N 2.87Å; L313-E315 PolarHBondContact O-N 3.12Å; L313-V316 PolarHBondContact O-N 3.28Å; L313-E317 HydrophobicContact CD1-CG 4.41Å; L313-E317 WeakPolarHBondContact O-CG 3.46Å; L313-E317 PolarHBondContact O-N 2.85Å; L313-R407 HydrophobicContact CD1-CG 4.22Å; L313-F410 HydrophobicContact CB-CD1 3.94Å; L313-F410 HydrophobicContact CB-CE1 3.95Å; L313-F410 HydrophobicContact CD1-CB 4.24Å; L313-F410 HydrophobicContact CD1-CD1 4.24Å; L313-F410 HydrophobicContact CD1-CG 4.14Å; L313-F410 HydrophobicContact CG-CD1 4.46Å
314	Q	94.9	Very high	92.7	Very high	105 Å²	105	66 Å²	66	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-39.3	175.8	-67.7	178.1	24.7	0	0	112.4	E310 E311 C318	E310-Q314 WeakPolarHBondContact O-CG 3.2Å; E310-Q314 PolarHBondContact O-N 3.49Å; E310-Q314 VanDerWaalsContact O-N 3.12Å; E310-Q314 PolarHBondContact OE1-NE2 2.97Å; E311-Q314 PolarHBondContact O-N 3.3Å; Q314-C318 VanDerWaalsContact O-CB 3.3Å; Q314-C318 WeakPolarHBondContact O-CB 3.37Å; Q314-C318 PolarHBondContact O-N 3.09Å; Q314-C318 PolarHBondContact O-SG 2.96Å
315	E	97.4	Very high	94.2	Very high	99 Å²	99	70.6 Å²	70.6	46%	0.463	34%	0.338	S	S	.	.	H	α-helix	trans	-59.9	-48.7	172.9	-78	-175	-172.5	0	0	112.2	E311 K312 L313 C318 E319	E311-E315 PolarHBondContact O-N 3.49Å; K312-E315 HydrophobicContact CD-CB 4.35Å; K312-E315 VanDerWaalsContact CD-OE2 3.23Å; K312-E315 WeakPolarHBondContact CD-OE2 3.5Å; K312-E315 WeakPolarHBondContact CE-OE2 3.36Å; K312-E315 IonicContact NZ-OE2 2.76Å; K312-E315 PolarHBondContact NZ-OE2 3.05Å; L313-E315 PolarHBondContact O-N 3.12Å; E315-C318 PolarHBondContact O-N 3.44Å; E315-E319 WeakPolarHBondContact O-CB 3.22Å; E315-E319 PolarHBondContact O-N 2.79Å
316	V	97.4	Very high	95.6	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-61.8	-43.3	179.8	163.7	0	0	0	0	111.4	K312 L313 E319 E320 L403 V406 R407	K312-V316 WeakPolarHBondContact O-CB 3.29Å; K312-V316 VanDerWaalsContact O-CG2 3.29Å; K312-V316 WeakPolarHBondContact O-CG2 3.35Å; K312-V316 PolarHBondContact O-N 2.97Å; K312-V316 VanDerWaalsContact O-N 3.07Å; L313-V316 PolarHBondContact O-N 3.28Å; V316-E319 PolarHBondContact O-N 2.77Å; V316-E320 WeakPolarHBondContact O-CB 3.43Å; V316-E320 PolarHBondContact O-N 3.34Å; V316-L403 HydrophobicContact CG1-CD2 3.99Å; V316-L403 HydrophobicContact CG2-CD2 4.43Å; V316-V406 HydrophobicContact CG1-CB 4.31Å; V316-V406 HydrophobicContact CG1-CG1 4.11Å; V316-V406 HydrophobicContact CG2-CG1 3.96Å; V316-R407 HydrophobicContact CG1-CG 3.6Å
317	E	95.9	Very high	96.2	Very high	82 Å²	82	69.9 Å²	69.9	38%	0.383	33%	0.325	S	S	.	.	H	α-helix	trans	-67.6	-41.4	177.5	-72.5	-169.1	164.7	0	0	112.5	L313 E319 E320 Q321 R407	L313-E317 HydrophobicContact CD1-CG 4.41Å; L313-E317 WeakPolarHBondContact O-CG 3.46Å; L313-E317 PolarHBondContact O-N 2.85Å; E317-E319 VanDerWaalsContact C-N 3.34Å; E317-E320 PolarHBondContact O-N 2.99Å; E317-Q321 PolarHBondContact O-N 3.06Å; E317-R407 HydrophobicContact CG-CG 4.46Å; E317-R407 VanDerWaalsContact CG-NE 3.31Å; E317-R407 IonicContact OE1-CZ 3.39Å; E317-R407 IonicContact OE1-NE 2.78Å; E317-R407 PolarHBondContact OE1-NE 2.9Å; E317-R407 IonicContact OE1-NH2 3.9Å; E317-R407 PolarHBondContact OE1-NH2 2.94Å
318	C	97.8	Very high	96.6	Very high	66 Å²	66	66.9 Å²	66.9	45%	0.446	32%	0.316	S	S	.	.	H	α-helix	trans	-65.7	-36.2	173.9	-73.2	0	0	0	0	112.2	Q314 E315 R322	Q314-C318 VanDerWaalsContact O-CB 3.3Å; Q314-C318 WeakPolarHBondContact O-CB 3.37Å; Q314-C318 PolarHBondContact O-N 3.09Å; Q314-C318 PolarHBondContact O-SG 2.96Å; E315-C318 PolarHBondContact O-N 3.44Å; C318-R322 WeakPolarHBondContact O-CG 3.31Å; C318-R322 PolarHBondContact O-N 3.5Å; C318-R322 VanDerWaalsContact O-N 3.15Å
319	E	97.8	Very high	96.8	Very high	36 Å²	36	70.3 Å²	70.3	17%	0.168	34%	0.34	C	S	.	.	H	α-helix	trans	-67.5	-46.7	173.9	-172.3	175.6	-134.9	0	0	111.5	E315 V316 E317 Q321 R322 L323 L403 K485	E315-E319 WeakPolarHBondContact O-CB 3.22Å; E315-E319 PolarHBondContact O-N 2.79Å; V316-E319 PolarHBondContact O-N 2.77Å; E317-E319 VanDerWaalsContact C-N 3.34Å; E319-Q321 VanDerWaalsContact C-N 3.28Å; E319-Q321 PolarHBondContact O-N 3.31Å; E319-R322 PolarHBondContact O-N 3.2Å; E319-L323 HydrophobicContact CG-CD1 4.23Å; E319-L323 HydrophobicContact CG-CG 4.16Å; E319-L323 WeakPolarHBondContact O-CG 3.45Å; E319-L323 PolarHBondContact O-N 2.89Å; E319-L403 HydrophobicContact CB-CD1 4.3Å; E319-L403 HydrophobicContact CG-CD1 3.94Å; E319-L403 WeakPolarHBondContact OE2-CD2 3.2Å; E319-K485 IonicContact OE1-NZ 3.2Å; E319-K485 PolarHBondContact OE1-NZ 3.46Å; E319-K485 IonicContact OE2-NZ 3.88Å; E319-K485 PolarHBondContact OE2-NZ 3.42Å
320	E	96.7	Very high	97	Very high	22 Å²	22	70.6 Å²	70.6	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-57.5	-42.8	178.1	-161.9	-164.3	133.2	0	0	110.8	V316 E317 R322 L323 R324 I400 L403 R407	V316-E320 WeakPolarHBondContact O-CB 3.43Å; V316-E320 PolarHBondContact O-N 3.34Å; E317-E320 PolarHBondContact O-N 2.99Å; E320-R322 PolarHBondContact O-N 3.03Å; E320-L323 PolarHBondContact O-N 3.11Å; E320-R324 WeakPolarHBondContact O-CB 3.46Å; E320-R324 VanDerWaalsContact O-CG 3.24Å; E320-R324 WeakPolarHBondContact O-CG 3.4Å; E320-R324 PolarHBondContact O-N 3.4Å; E320-R324 IonicContact OE1-CZ 3.13Å; E320-R324 IonicContact OE1-NE 3.16Å; E320-R324 PolarHBondContact OE1-NE 2.85Å; E320-R324 IonicContact OE1-NH2 2.66Å; E320-R324 PolarHBondContact OE1-NH2 3.4Å; E320-I400 HydrophobicContact CG-CG2 4.46Å; E320-L403 HydrophobicContact CB-CB 4.22Å; E320-L403 HydrophobicContact CB-CD1 4.11Å; E320-L403 HydrophobicContact CG-CB 4.13Å; E320-L403 HydrophobicContact CG-CD1 4.48Å; E320-R407 VanDerWaalsContact OE2-CD 3.29Å; E320-R407 WeakPolarHBondContact OE2-CD 3.45Å
321	Q	97.2	Very high	97.3	Very high	116 Å²	116	69.8 Å²	69.8	54%	0.542	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-39.8	176.2	-160.3	-159.6	77.5	0	0	112.7	E317 E319 K325	E317-Q321 PolarHBondContact O-N 3.06Å; E319-Q321 VanDerWaalsContact C-N 3.28Å; E319-Q321 PolarHBondContact O-N 3.31Å; Q321-K325 WeakPolarHBondContact O-CG 3.38Å; Q321-K325 PolarHBondContact O-N 3.04Å
322	R	98.2	Very high	97.5	Very high	142 Å²	142	67.5 Å²	67.5	54%	0.536	33%	0.332	S	S	.	.	H	α-helix	trans	-66.8	-46.8	176.5	-74	-177.1	-59.4	-104.5	1.3	111.6	C318 E319 E320 R324 K325 L326	C318-R322 WeakPolarHBondContact O-CG 3.31Å; C318-R322 PolarHBondContact O-N 3.5Å; C318-R322 VanDerWaalsContact O-N 3.15Å; E319-R322 PolarHBondContact O-N 3.2Å; E320-R322 PolarHBondContact O-N 3.03Å; R322-R324 PolarHBondContact O-N 3.02Å; R322-K325 PolarHBondContact O-N 2.96Å; R322-L326 PolarHBondContact O-N 3.12Å
323	L	98.2	Very high	97.5	Very high	17 Å²	17	69.5 Å²	69.5	9%	0.089	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-38.6	178.8	-64.1	-170	0	0	0	111.6	E319 E320 K325 L326 H327 L396 I400 L403 F489	E319-L323 HydrophobicContact CG-CD1 4.23Å; E319-L323 HydrophobicContact CG-CG 4.16Å; E319-L323 WeakPolarHBondContact O-CG 3.45Å; E319-L323 PolarHBondContact O-N 2.89Å; E320-L323 PolarHBondContact O-N 3.11Å; L323-K325 PolarHBondContact O-N 2.98Å; L323-L326 PolarHBondContact O-N 3.33Å; L323-H327 VanDerWaalsContact O-CB 3.25Å; L323-H327 WeakPolarHBondContact O-CB 3.49Å; L323-H327 PolarHBondContact O-N 3.27Å; L323-L396 HydrophobicContact CD2-CD2 3.85Å; L323-I400 HydrophobicContact CB-CD1 4.33Å; L323-I400 HydrophobicContact CB-CG1 3.76Å; L323-L403 HydrophobicContact CD1-CD1 3.75Å; L323-F489 HydrophobicContact CD1-CZ 4.08Å; L323-F489 HydrophobicContact CD2-CZ 4.17Å
324	R	98.1	Very high	97.7	Very high	122 Å²	122	67.5 Å²	67.5	46%	0.46	33%	0.333	S	S	.	.	H	α-helix	trans	-59.8	-42.5	173.5	-76.6	176.7	-177.4	-73.6	0.1	112.9	E320 R322 A328 I400	E320-R324 WeakPolarHBondContact O-CB 3.46Å; E320-R324 VanDerWaalsContact O-CG 3.24Å; E320-R324 WeakPolarHBondContact O-CG 3.4Å; E320-R324 PolarHBondContact O-N 3.4Å; E320-R324 IonicContact OE1-CZ 3.13Å; E320-R324 IonicContact OE1-NE 3.16Å; E320-R324 PolarHBondContact OE1-NE 2.85Å; E320-R324 IonicContact OE1-NH2 2.66Å; E320-R324 PolarHBondContact OE1-NH2 3.4Å; R322-R324 PolarHBondContact O-N 3.02Å; R324-A328 PolarHBondContact O-N 3.35Å; R324-I400 HydrophobicContact CB-CD1 4.47Å; R324-I400 HydrophobicContact CG-CD1 3.97Å; R324-I400 HydrophobicContact CG-CG1 4.05Å; R324-I400 HydrophobicContact CG-CG2 3.79Å; R324-I400 VanDerWaalsContact CZ-CG2 3.43Å
325	K	98.4	Very high	97.8	Very high	130 Å²	130	67 Å²	67	57%	0.565	33%	0.333	S	S	*	.	H	α-helix	trans	-63.8	-45.6	174.9	-72.9	168.6	174.1	168.8	0	111.3	Q321 R322 L323 V329	Q321-K325 WeakPolarHBondContact O-CG 3.38Å; Q321-K325 PolarHBondContact O-N 3.04Å; R322-K325 PolarHBondContact O-N 2.96Å; L323-K325 PolarHBondContact O-N 2.98Å; K325-V329 WeakPolarHBondContact O-CG2 3.12Å; K325-V329 PolarHBondContact O-N 2.8Å
326	L	98.4	Very high	97.9	Very high	83 Å²	83	67.6 Å²	67.6	44%	0.435	34%	0.336	S	S	.	.	H	α-helix	trans	-64.9	-42.1	179	-178	57.9	0	0	0	112.1	R322 L323 V329 V330 L396	R322-L326 PolarHBondContact O-N 3.12Å; L323-L326 PolarHBondContact O-N 3.33Å; L326-V329 PolarHBondContact O-N 3.19Å; L326-V330 HydrophobicContact CD1-CG2 4.22Å; L326-V330 HydrophobicContact CG-CG2 4.47Å; L326-V330 WeakPolarHBondContact O-CG2 3.5Å; L326-V330 PolarHBondContact O-N 2.89Å; L326-L396 HydrophobicContact CD2-CD1 4.2Å; L326-L396 HydrophobicContact CD2-CD2 3.76Å; L326-L396 HydrophobicContact CG-CD1 3.84Å; L326-L396 HydrophobicContact CG-CD2 4.18Å
327	H	98.3	Very high	97.9	Very high	36 Å²	36	69.2 Å²	69.2	17%	0.167	34%	0.342	C	S	.	.	H	α-helix	trans	-57.7	-48.7	176.8	179.7	-99.6	0	0	0	111.8	L323 V329 V330 E331 A393 L396 S397 I400	L323-H327 VanDerWaalsContact O-CB 3.25Å; L323-H327 WeakPolarHBondContact O-CB 3.49Å; L323-H327 PolarHBondContact O-N 3.27Å; H327-V329 VanDerWaalsContact C-N 3.31Å; H327-V329 PolarHBondContact O-N 3.24Å; H327-V330 CarbonylContact O-C 3.59Å; H327-V330 PolarHBondContact O-N 2.82Å; H327-V330 VanDerWaalsContact O-N 3.1Å; H327-E331 IonicContact CE1-OE1 2.74Å; H327-E331 PolarHBondContact CE1-OE1 3.27Å; H327-E331 IonicContact CE1-OE2 3.49Å; H327-E331 PolarHBondContact CE1-OE2 2.89Å; H327-E331 IonicContact ND1-OE2 2.81Å; H327-E331 PolarHBondContact ND1-OE2 2.97Å; H327-E331 IonicContact NE2-OE1 2.72Å; H327-E331 WeakPolarHBondContact O-CG 3.37Å; H327-E331 PolarHBondContact O-N 3.45Å; H327-A393 PolarHBondContact CD2-O 3.42Å; H327-A393 VanDerWaalsContact CD2-O 3.24Å; H327-A393 PolarHBondContact NE2-O 2.92Å; H327-L396 HydrophobicContact CB-CB 4.08Å; H327-S397 WeakPolarHBondContact NE2-CB 3.46Å; H327-S397 PolarHBondContact NE2-OG 3.27Å; H327-I400 HydrophobicContact CB-CD1 3.58Å
328	A	98.3	Very high	97.9	Very high	46 Å²	46	67.6 Å²	67.6	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-60.9	-36.8	177.3	0	0	0	0	0	113.2	R324 T332	R324-A328 PolarHBondContact O-N 3.35Å; A328-T332 WeakPolarHBondContact O-CB 3.44Å; A328-T332 PolarHBondContact O-N 3.39Å; A328-T332 PolarHBondContact O-OG1 2.98Å
329	V	98.6	Very high	97.9	Very high	99 Å²	99	69.7 Å²	69.7	60%	0.6	34%	0.337	S	S	*	.	H	α-helix	trans	-69.5	-38.2	174.9	174.7	0	0	0	0	111.2	K325 L326 H327 T332 L333	K325-V329 WeakPolarHBondContact O-CG2 3.12Å; K325-V329 PolarHBondContact O-N 2.8Å; L326-V329 PolarHBondContact O-N 3.19Å; H327-V329 VanDerWaalsContact C-N 3.31Å; H327-V329 PolarHBondContact O-N 3.24Å; V329-T332 WeakPolarHBondContact O-CB 3.49Å; V329-T332 PolarHBondContact O-N 2.73Å; V329-L333 PolarHBondContact O-N 3.12Å
330	V	98.4	Very high	98	Very high	7 Å²	7	71.9 Å²	71.9	4%	0.042	35%	0.349	C	S	.	.	H	α-helix	trans	-71.9	-37.3	176.9	175.7	0	0	0	0	111.9	L326 H327 T332 L333 V334 L392 A393 L396	L326-V330 HydrophobicContact CD1-CG2 4.22Å; L326-V330 HydrophobicContact CG-CG2 4.47Å; L326-V330 WeakPolarHBondContact O-CG2 3.5Å; L326-V330 PolarHBondContact O-N 2.89Å; H327-V330 CarbonylContact O-C 3.59Å; H327-V330 PolarHBondContact O-N 2.82Å; H327-V330 VanDerWaalsContact O-N 3.1Å; V330-T332 VanDerWaalsContact C-N 3.29Å; V330-T332 PolarHBondContact O-N 2.86Å; V330-L333 WeakPolarHBondContact O-CB 3.4Å; V330-L333 PolarHBondContact O-N 2.75Å; V330-V334 WeakPolarHBondContact O-CG2 3.47Å; V330-V334 PolarHBondContact O-N 3.4Å; V330-L392 HydrophobicContact CG1-CB 4.25Å; V330-L392 HydrophobicContact CG1-CD2 3.96Å; V330-L392 HydrophobicContact CG1-CG 3.96Å; V330-L392 HydrophobicContact CG2-CD2 3.65Å; V330-L392 HydrophobicContact CG2-CG 4.04Å; V330-A393 HydrophobicContact CG1-CB 3.8Å; V330-L396 HydrophobicContact CB-CD1 4.25Å; V330-L396 HydrophobicContact CG2-CD1 3.89Å
331	E	97.3	Very high	98	Very high	76 Å²	76	70.9 Å²	70.9	36%	0.355	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-40.8	170.1	-72.4	-176.1	125.6	0	0	111.4	H327 V334 N335	H327-E331 IonicContact CE1-OE1 2.74Å; H327-E331 PolarHBondContact CE1-OE1 3.27Å; H327-E331 IonicContact CE1-OE2 3.49Å; H327-E331 PolarHBondContact CE1-OE2 2.89Å; H327-E331 IonicContact ND1-OE2 2.81Å; H327-E331 PolarHBondContact ND1-OE2 2.97Å; H327-E331 IonicContact NE2-OE1 2.72Å; H327-E331 WeakPolarHBondContact O-CG 3.37Å; H327-E331 PolarHBondContact O-N 3.45Å; E331-V334 PolarHBondContact O-N 2.98Å; E331-N335 VanDerWaalsContact O-CG 3.26Å; E331-N335 PolarHBondContact O-N 3.44Å; E331-N335 PolarHBondContact O-ND2 3.49Å
332	T	98.3	Very high	98.1	Very high	64 Å²	64	70.5 Å²	70.5	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-62.8	-42	174.2	-56.7	0	0	0	0	111.4	A328 V329 V330 N335 H336	A328-T332 WeakPolarHBondContact O-CB 3.44Å; A328-T332 PolarHBondContact O-N 3.39Å; A328-T332 PolarHBondContact O-OG1 2.98Å; V329-T332 WeakPolarHBondContact O-CB 3.49Å; V329-T332 PolarHBondContact O-N 2.73Å; V330-T332 VanDerWaalsContact C-N 3.29Å; V330-T332 PolarHBondContact O-N 2.86Å; T332-N335 PolarHBondContact O-N 2.85Å; T332-H336 WeakPolarHBondContact CG2-CE1 3.45Å; T332-H336 PolarHBondContact O-N 2.88Å; T332-H336 PolarHBondContact O-ND1 3.04Å
333	L	98.2	Very high	98.1	Very high	62 Å²	62	68 Å²	68	33%	0.325	34%	0.344	S	S	.	.	H	α-helix	trans	-60.7	-47.3	174.3	178.3	64.5	0	0	0	112.3	V329 V330 N335 H336 R337	V329-L333 PolarHBondContact O-N 3.12Å; V330-L333 WeakPolarHBondContact O-CB 3.4Å; V330-L333 PolarHBondContact O-N 2.75Å; L333-N335 VanDerWaalsContact C-N 3.31Å; L333-N335 PolarHBondContact O-N 3.47Å; L333-H336 PolarHBondContact O-N 2.95Å; L333-R337 WeakPolarHBondContact O-CB 3.46Å; L333-R337 PolarHBondContact O-N 3.21Å
334	V	98.1	Very high	98.1	Very high	6 Å²	6	67.8 Å²	67.8	4%	0.036	34%	0.342	C	S	.	.	H	α-helix	trans	-56.3	-46.3	176.6	169.8	0	0	0	0	110.7	V330 E331 R337 K338 D388 F389	V330-V334 WeakPolarHBondContact O-CG2 3.47Å; V330-V334 PolarHBondContact O-N 3.4Å; E331-V334 PolarHBondContact O-N 2.98Å; V334-R337 PolarHBondContact O-N 2.74Å; V334-K338 PolarHBondContact O-N 2.72Å; V334-D388 HydrophobicContact CG2-CB 3.55Å; V334-F389 HydrophobicContact CG1-CB 4.19Å; V334-F389 HydrophobicContact CG1-CD2 4.3Å; V334-F389 HydrophobicContact CG2-CB 4.02Å; V334-F389 HydrophobicContact CG2-CD2 4.5Å
335	N	97	Very high	98.1	Very high	93 Å²	93	63.8 Å²	63.8	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-66.4	-51.5	-178.7	-67.8	-26.8	0	0	0	111.5	E331 T332 L333 R337 K338 E339	E331-N335 VanDerWaalsContact O-CG 3.26Å; E331-N335 PolarHBondContact O-N 3.44Å; E331-N335 PolarHBondContact O-ND2 3.49Å; T332-N335 PolarHBondContact O-N 2.85Å; L333-N335 VanDerWaalsContact C-N 3.31Å; L333-N335 PolarHBondContact O-N 3.47Å; N335-R337 PolarHBondContact O-N 3.17Å; N335-K338 PolarHBondContact O-N 2.85Å; N335-K338 VanDerWaalsContact O-N 3.12Å; N335-E339 WeakPolarHBondContact O-CG 3.11Å; N335-E339 PolarHBondContact O-N 3.5Å
336	H	98.4	Very high	98.1	Very high	112 Å²	112	62.6 Å²	62.6	52%	0.519	33%	0.332	S	S	.	.	H	α-helix	trans	-59.3	-33.5	176.8	-67.7	159.3	0	0	0	112.6	T332 L333 E339 L340	T332-H336 WeakPolarHBondContact CG2-CE1 3.45Å; T332-H336 PolarHBondContact O-N 2.88Å; T332-H336 PolarHBondContact O-ND1 3.04Å; L333-H336 PolarHBondContact O-N 2.95Å; H336-E339 IonicContact CD2-OE2 3.64Å; H336-E339 PolarHBondContact O-N 3.4Å; H336-L340 WeakPolarHBondContact O-CB 3.21Å; H336-L340 PolarHBondContact O-N 2.97Å
337	R	97.9	Very high	98.1	Very high	36 Å²	36	63.5 Å²	63.5	14%	0.136	33%	0.333	C	S	.	.	H	α-helix	trans	-74.8	-32.1	177.4	-162	174.7	-67.1	164.3	4.8	112.9	L333 V334 N335 L340 A341 Q384 A385 D388	L333-R337 WeakPolarHBondContact O-CB 3.46Å; L333-R337 PolarHBondContact O-N 3.21Å; V334-R337 PolarHBondContact O-N 2.74Å; N335-R337 PolarHBondContact O-N 3.17Å; R337-L340 PolarHBondContact O-N 3.11Å; R337-A341 PolarHBondContact O-N 2.89Å; R337-Q384 VanDerWaalsContact CD-CB 3.46Å; R337-A385 HydrophobicContact CB-CB 4Å; R337-A385 HydrophobicContact CG-CB 4.09Å; R337-D388 WeakPolarHBondContact CD-OD2 3.3Å; R337-D388 IonicContact CZ-OD1 3.03Å; R337-D388 IonicContact CZ-OD2 2.86Å; R337-D388 IonicContact NE-OD2 3.35Å; R337-D388 PolarHBondContact NE-OD2 3.37Å; R337-D388 IonicContact NH1-OD1 2.77Å; R337-D388 PolarHBondContact NH1-OD1 2.91Å; R337-D388 IonicContact NH1-OD2 3.27Å; R337-D388 PolarHBondContact NH1-OD2 3.04Å; R337-D388 IonicContact NH2-OD1 2.68Å; R337-D388 IonicContact NH2-OD2 3.71Å
338	K	97.1	Very high	98.1	Very high	49 Å²	49	61.8 Å²	61.8	21%	0.213	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-39.2	168	-74.3	-161.7	171.3	-160.6	0	112.5	E233 V334 N335 A341 L342 A385	E233-K338 IonicContact OE1-NZ 3.46Å; E233-K338 PolarHBondContact OE1-NZ 3.36Å; E233-K338 IonicContact OE2-NZ 3.74Å; E233-K338 PolarHBondContact OE2-NZ 3.33Å; V334-K338 PolarHBondContact O-N 2.72Å; N335-K338 PolarHBondContact O-N 2.85Å; N335-K338 VanDerWaalsContact O-N 3.12Å; K338-A341 PolarHBondContact O-N 3.2Å; K338-L342 WeakPolarHBondContact O-CB 3.45Å; K338-L342 PolarHBondContact O-N 2.81Å; K338-A385 HydrophobicContact CG-CB 3.79Å
339	E	97.9	Very high	98.1	Very high	109 Å²	109	66.3 Å²	66.3	51%	0.509	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-39.3	173.7	-70.5	172.5	172.8	0	0	111.6	N335 H336 L342 N343	N335-E339 WeakPolarHBondContact O-CG 3.11Å; N335-E339 PolarHBondContact O-N 3.5Å; H336-E339 IonicContact CD2-OE2 3.64Å; H336-E339 PolarHBondContact O-N 3.4Å; E339-L342 PolarHBondContact O-N 3.23Å; E339-N343 WeakPolarHBondContact O-CB 3.29Å; E339-N343 PolarHBondContact O-N 2.95Å; E339-N343 PolarHBondContact O-ND2 2.78Å; E339-N343 VanDerWaalsContact O-ND2 3.16Å
340	L	98.3	Very high	98.1	Very high	82 Å²	82	64.9 Å²	64.9	43%	0.429	33%	0.33	S	S	.	.	H	α-helix	trans	-59.9	-48.7	172.5	-178.8	62	0	0	0	111.4	H336 R337 L342 N343 T344	H336-L340 WeakPolarHBondContact O-CB 3.21Å; H336-L340 PolarHBondContact O-N 2.97Å; R337-L340 PolarHBondContact O-N 3.11Å; L340-L342 PolarHBondContact O-N 3.11Å; L340-N343 PolarHBondContact O-N 3.07Å; L340-T344 PolarHBondContact O-N 3.43Å; L340-T344 PolarHBondContact O-OG1 3.13Å; L340-T344 VanDerWaalsContact O-OG1 3.07Å
341	A	98.3	Very high	98.1	Very high	2 Å²	2	65.1 Å²	65.1	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-56.2	-48.2	174.9	0	0	0	0	0	111.9	R337 K338 N343 T344 A345 E378 H381 Q382	R337-A341 PolarHBondContact O-N 2.89Å; K338-A341 PolarHBondContact O-N 3.2Å; A341-N343 VanDerWaalsContact C-N 3.29Å; A341-N343 PolarHBondContact O-N 3.2Å; A341-T344 PolarHBondContact O-N 2.95Å; A341-A345 PolarHBondContact O-N 3.15Å; A341-E378 WeakPolarHBondContact O-CG 3.49Å; A341-H381 HydrophobicContact CB-CB 3.74Å; A341-Q382 HydrophobicContact CB-CB 4.34Å
342	L	97.7	Very high	98.1	Very high	107 Å²	107	63.3 Å²	63.3	56%	0.56	33%	0.33	S	S	*	.	H	α-helix	trans	-59.3	-37.1	177.4	-177.6	69.5	0	0	0	113	K338 E339 L340 Q346	K338-L342 WeakPolarHBondContact O-CB 3.45Å; K338-L342 PolarHBondContact O-N 2.81Å; E339-L342 PolarHBondContact O-N 3.23Å; L340-L342 PolarHBondContact O-N 3.11Å; L342-Q346 WeakPolarHBondContact O-CG 3.33Å; L342-Q346 PolarHBondContact O-N 3.17Å; L342-Q346 PolarHBondContact O-NE2 3.4Å; L342-Q346 VanDerWaalsContact O-NE2 3.11Å
343	N	98.5	Very high	98	Very high	91 Å²	91	65.8 Å²	65.8	49%	0.487	34%	0.338	S	S	.	.	H	α-helix	trans	-75.7	-38.9	177.9	-69.2	-26.4	0	0	0	111.6	E339 L340 A341 A345 Q346 F347	E339-N343 WeakPolarHBondContact O-CB 3.29Å; E339-N343 PolarHBondContact O-N 2.95Å; E339-N343 PolarHBondContact O-ND2 2.78Å; E339-N343 VanDerWaalsContact O-ND2 3.16Å; L340-N343 PolarHBondContact O-N 3.07Å; A341-N343 VanDerWaalsContact C-N 3.29Å; A341-N343 PolarHBondContact O-N 3.2Å; N343-A345 VanDerWaalsContact C-N 3.33Å; N343-A345 PolarHBondContact O-N 2.66Å; N343-Q346 PolarHBondContact O-N 2.95Å; N343-F347 PolarHBondContact O-N 3.27Å
344	T	98.5	Very high	97.9	Very high	11 Å²	11	67.4 Å²	67.4	7%	0.067	35%	0.346	C	S	.	.	H	α-helix	trans	-58.6	-43.6	170.5	-57.8	0	0	0	0	111.1	L340 A341 Q346 F347 A348 E374 I377 E378 H381	L340-T344 PolarHBondContact O-N 3.43Å; L340-T344 PolarHBondContact O-OG1 3.13Å; L340-T344 VanDerWaalsContact O-OG1 3.07Å; A341-T344 PolarHBondContact O-N 2.95Å; T344-Q346 VanDerWaalsContact C-N 3.31Å; T344-Q346 PolarHBondContact O-N 2.91Å; T344-F347 PolarHBondContact O-N 3.43Å; T344-A348 WeakPolarHBondContact O-CB 3.44Å; T344-A348 PolarHBondContact O-N 2.78Å; T344-E374 HydrophobicContact CG2-CB 4.01Å; T344-E374 WeakPolarHBondContact CG2-O 3.15Å; T344-E374 WeakPolarHBondContact CG2-OE2 3.38Å; T344-I377 HydrophobicContact CG2-CB 4.4Å; T344-I377 HydrophobicContact CG2-CG2 4.24Å; T344-E378 HydrophobicContact CG2-CB 3.87Å; T344-H381 PolarHBondContact OG1-ND1 2.73Å
345	A	98.4	Very high	97.8	Very high	38 Å²	38	67.1 Å²	67.1	31%	0.314	35%	0.345	S	S	.	.	H	α-helix	trans	-55.6	-44.2	175.5	0	0	0	0	0	112.6	A341 N343 K349 E378	A341-A345 PolarHBondContact O-N 3.15Å; N343-A345 VanDerWaalsContact C-N 3.33Å; N343-A345 PolarHBondContact O-N 2.66Å; A345-K349 WeakPolarHBondContact O-CB 3.45Å; A345-K349 PolarHBondContact O-N 2.87Å; A345-K349 VanDerWaalsContact O-N 3.16Å; A345-E378 HydrophobicContact CB-CG 3.84Å
346	Q	98.4	Very high	97.7	Very high	105 Å²	105	67.2 Å²	67.2	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-70	-37.8	179.2	-70.3	171.8	66.2	0	0	112	L342 N343 T344 S350	L342-Q346 WeakPolarHBondContact O-CG 3.33Å; L342-Q346 PolarHBondContact O-N 3.17Å; L342-Q346 PolarHBondContact O-NE2 3.4Å; L342-Q346 VanDerWaalsContact O-NE2 3.11Å; N343-Q346 PolarHBondContact O-N 2.95Å; T344-Q346 VanDerWaalsContact C-N 3.31Å; T344-Q346 PolarHBondContact O-N 2.91Å; Q346-S350 WeakPolarHBondContact O-CB 3.32Å; Q346-S350 PolarHBondContact O-N 2.78Å; Q346-S350 PolarHBondContact O-OG 2.99Å
347	F	98.3	Very high	97.5	Very high	103 Å²	103	66.4 Å²	66.4	45%	0.452	36%	0.359	S	S	.	.	H	α-helix	trans	-67	-48.2	176.4	-177.5	-123.7	0	0	0	111.7	N343 T344 K349 S350 L351 E374	N343-F347 PolarHBondContact O-N 3.27Å; T344-F347 PolarHBondContact O-N 3.43Å; F347-K349 PolarHBondContact O-N 3.18Å; F347-S350 WeakPolarHBondContact O-CA 3.45Å; F347-S350 WeakPolarHBondContact O-CB 3.28Å; F347-S350 PolarHBondContact O-N 3.27Å; F347-L351 HydrophobicContact CD1-CD1 3.94Å; F347-L351 HydrophobicContact CD2-CG 4.43Å; F347-L351 HydrophobicContact CE1-CD1 3.6Å; F347-L351 HydrophobicContact CE1-CG 4.33Å; F347-L351 HydrophobicContact CE2-CD1 4.27Å; F347-L351 HydrophobicContact CE2-CD2 4.24Å; F347-L351 HydrophobicContact CE2-CG 4.12Å; F347-L351 HydrophobicContact CG-CD1 4.42Å; F347-L351 HydrophobicContact CZ-CD1 3.78Å; F347-L351 HydrophobicContact CZ-CD2 4.11Å; F347-L351 HydrophobicContact CZ-CG 4.06Å; F347-L351 WeakPolarHBondContact O-CG 3.3Å; F347-L351 PolarHBondContact O-N 3.06Å; F347-E374 HydrophobicContact CD1-CG 3.91Å; F347-E374 HydrophobicContact CE1-CG 4.09Å; F347-E374 WeakPolarHBondContact CE1-OE1 3.48Å
348	A	98.4	Very high	97.3	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-54.2	-49.7	175.4	0	0	0	0	0	112	T344 S350 L351 A352 A371 E374 E375	T344-A348 WeakPolarHBondContact O-CB 3.44Å; T344-A348 PolarHBondContact O-N 2.78Å; A348-S350 VanDerWaalsContact C-N 3.29Å; A348-S350 PolarHBondContact O-N 3.06Å; A348-L351 WeakPolarHBondContact O-CB 3.37Å; A348-L351 PolarHBondContact O-N 2.97Å; A348-A352 PolarHBondContact O-N 3.29Å; A348-A371 VanDerWaalsContact O-CB 3.24Å; A348-A371 WeakPolarHBondContact O-CB 3.44Å; A348-E374 HydrophobicContact CB-CB 3.61Å; A348-E375 HydrophobicContact CB-CG 3.92Å
349	K	98.2	Very high	97.2	Very high	140 Å²	140	73.3 Å²	73.3	61%	0.609	40%	0.399	S	S	*	.	H	α-helix	trans	-59.3	-38.4	175.2	-176.4	177.8	179.2	-179.6	0	112.7	A345 F347 A352 M353	A345-K349 WeakPolarHBondContact O-CB 3.45Å; A345-K349 PolarHBondContact O-N 2.87Å; A345-K349 VanDerWaalsContact O-N 3.16Å; F347-K349 PolarHBondContact O-N 3.18Å; K349-A352 PolarHBondContact O-N 3.31Å; K349-M353 WeakPolarHBondContact O-CG 3.27Å; K349-M353 PolarHBondContact O-N 3.15Å
350	S	98.1	Very high	96.9	Very high	69 Å²	69	71.7 Å²	71.7	48%	0.483	39%	0.394	S	S	.	.	H	α-helix	trans	-69.5	-38.6	178.5	-58.1	0	0	0	0	112	Q346 F347 A348 M353 L354	Q346-S350 WeakPolarHBondContact O-CB 3.32Å; Q346-S350 PolarHBondContact O-N 2.78Å; Q346-S350 PolarHBondContact O-OG 2.99Å; F347-S350 WeakPolarHBondContact O-CA 3.45Å; F347-S350 WeakPolarHBondContact O-CB 3.28Å; F347-S350 PolarHBondContact O-N 3.27Å; A348-S350 VanDerWaalsContact C-N 3.29Å; A348-S350 PolarHBondContact O-N 3.06Å; S350-M353 PolarHBondContact O-N 3.28Å; S350-L354 WeakPolarHBondContact O-CB 3.44Å; S350-L354 PolarHBondContact O-N 3.04Å
351	L	97.7	Very high	96.6	Very high	12 Å²	12	72.5 Å²	72.5	6%	0.063	40%	0.403	C	S	.	.	H	α-helix	trans	-63.3	-43.2	172.6	-71.9	169	0	0	0	112	F347 A348 M353 L354 G355 L367 L370 A371 E374	F347-L351 HydrophobicContact CD1-CD1 3.94Å; F347-L351 HydrophobicContact CD2-CG 4.43Å; F347-L351 HydrophobicContact CE1-CD1 3.6Å; F347-L351 HydrophobicContact CE1-CG 4.33Å; F347-L351 HydrophobicContact CE2-CD1 4.27Å; F347-L351 HydrophobicContact CE2-CD2 4.24Å; F347-L351 HydrophobicContact CE2-CG 4.12Å; F347-L351 HydrophobicContact CG-CD1 4.42Å; F347-L351 HydrophobicContact CZ-CD1 3.78Å; F347-L351 HydrophobicContact CZ-CD2 4.11Å; F347-L351 HydrophobicContact CZ-CG 4.06Å; F347-L351 WeakPolarHBondContact O-CG 3.3Å; F347-L351 PolarHBondContact O-N 3.06Å; A348-L351 WeakPolarHBondContact O-CB 3.37Å; A348-L351 PolarHBondContact O-N 2.97Å; L351-M353 VanDerWaalsContact C-N 3.35Å; L351-M353 PolarHBondContact O-N 3.49Å; L351-L354 PolarHBondContact O-N 2.93Å; L351-G355 PolarHBondContact O-N 3.43Å; L351-L367 HydrophobicContact CD2-CD2 3.85Å; L351-L370 HydrophobicContact CD1-CB 4.14Å; L351-L370 HydrophobicContact CD1-CD1 3.78Å; L351-L370 HydrophobicContact CD1-CD2 4.02Å; L351-L370 HydrophobicContact CD1-CG 4.17Å; L351-L370 HydrophobicContact CD2-CD2 4.13Å; L351-A371 HydrophobicContact CB-CB 3.89Å; L351-E374 HydrophobicContact CD1-CG 4.03Å
352	A	97.5	Very high	96.3	Very high	39 Å²	39	73.7 Å²	73.7	32%	0.322	41%	0.412	S	S	.	.	H	α-helix	trans	-61.8	-42.6	176	0	0	0	0	0	111.7	A348 K349 G355 S356 A371	A348-A352 PolarHBondContact O-N 3.29Å; K349-A352 PolarHBondContact O-N 3.31Å; A352-G355 PolarHBondContact O-N 3.19Å; A352-S356 WeakPolarHBondContact O-CB 3.33Å; A352-S356 PolarHBondContact O-N 3.24Å; A352-S356 PolarHBondContact O-OG 2.85Å; A352-A371 HydrophobicContact CB-CB 3.85Å
353	M	97.3	Very high	96.1	Very high	116 Å²	116	71.1 Å²	71.1	57%	0.571	40%	0.399	S	S	*	.	H	α-helix	trans	-62.7	-43.2	174.4	-73.2	178.3	61.2	0	0	112.2	K349 S350 L351 S356 S357	K349-M353 WeakPolarHBondContact O-CG 3.27Å; K349-M353 PolarHBondContact O-N 3.15Å; S350-M353 PolarHBondContact O-N 3.28Å; L351-M353 VanDerWaalsContact C-N 3.35Å; L351-M353 PolarHBondContact O-N 3.49Å; M353-S356 PolarHBondContact O-N 3.05Å; M353-S356 PolarHBondContact O-OG 3.16Å; M353-S357 PolarHBondContact O-N 2.93Å; M353-S357 PolarHBondContact O-OG 3.22Å
354	L	95.9	Very high	95.9	Very high	95 Å²	95	68.2 Å²	68.2	50%	0.497	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-46.1	176.5	-173.7	64.9	0	0	0	111.6	S350 L351 S356 S357 E358 L367	S350-L354 WeakPolarHBondContact O-CB 3.44Å; S350-L354 PolarHBondContact O-N 3.04Å; L351-L354 PolarHBondContact O-N 2.93Å; L354-S356 VanDerWaalsContact C-N 3.26Å; L354-S356 PolarHBondContact O-N 3.4Å; L354-S357 CarbonylContact O-C 3.58Å; L354-S357 WeakPolarHBondContact O-CA 3.48Å; L354-S357 WeakPolarHBondContact O-CB 3.39Å; L354-S357 PolarHBondContact O-N 3.45Å; L354-E358 PolarHBondContact O-N 2.69Å; L354-L367 HydrophobicContact CB-CD1 4.43Å; L354-L367 HydrophobicContact CD2-CD1 4.02Å; L354-L367 HydrophobicContact CD2-CD2 4.11Å; L354-L367 HydrophobicContact CG-CD1 3.89Å
355	G	95.1	Very high	95.7	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-60.7	-33.4	176.8	0	0	0	0	0	113.2	L351 A352 S357 S364	L351-G355 PolarHBondContact O-N 3.43Å; A352-G355 PolarHBondContact O-N 3.19Å; G355-S357 PolarHBondContact O-N 3.41Å; G355-S364 WeakPolarHBondContact O-CB 3.3Å; G355-S364 PolarHBondContact O-OG 3.36Å
356	S	95.4	Very high	95.5	Very high	96 Å²	96	71.6 Å²	71.6	67%	0.671	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.8	172.8	76	0	0	0	0	114.7	A352 M353 L354	A352-S356 WeakPolarHBondContact O-CB 3.33Å; A352-S356 PolarHBondContact O-N 3.24Å; A352-S356 PolarHBondContact O-OG 2.85Å; M353-S356 PolarHBondContact O-N 3.05Å; M353-S356 PolarHBondContact O-OG 3.16Å; L354-S356 VanDerWaalsContact C-N 3.26Å; L354-S356 PolarHBondContact O-N 3.4Å
357	S	95.1	Very high	95.4	Very high	94 Å²	94	67.6 Å²	67.6	66%	0.657	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	2.7	-177.4	-52.2	0	0	0	0	113.3	M353 L354 G355	M353-S357 PolarHBondContact O-N 2.93Å; M353-S357 PolarHBondContact O-OG 3.22Å; L354-S357 CarbonylContact O-C 3.58Å; L354-S357 WeakPolarHBondContact O-CA 3.48Å; L354-S357 WeakPolarHBondContact O-CB 3.39Å; L354-S357 PolarHBondContact O-N 3.45Å; G355-S357 PolarHBondContact O-N 3.41Å
358	E	93.9	Very high	95.3	Very high	67 Å²	67	64.8 Å²	64.8	31%	0.313	37%	0.365	S	S	.	.			trans	-100.5	124.6	-172.9	173.9	55.4	-116.1	0	0	111.4	L354 N360 L363 L367	L354-E358 PolarHBondContact O-N 2.69Å; E358-N360 HydrophobicContact CG-CB 4.25Å; E358-N360 VanDerWaalsContact OE1-CB 3.24Å; E358-N360 WeakPolarHBondContact OE1-CB 3.43Å; E358-N360 PolarHBondContact OE1-N 3.01Å; E358-L363 HydrophobicContact CG-CB 3.98Å; E358-L363 HydrophobicContact CG-CD2 4.09Å; E358-L363 HydrophobicContact CG-CG 3.98Å; E358-L367 HydrophobicContact CB-CD1 4.47Å
359	D	93.3	Very high	95.1	Very high	163 Å²	163	67.9 Å²	67.9	87%	0.872	38%	0.38	S	S	*	.	S	Bend	trans	-71.3	-30	-180	-75.5	-45	0	0	0	112.6	T361	D359-T361 PolarHBondContact O-N 3.24Å
360	N	92.3	Very high	95.1	Very high	76 Å²	76	62.7 Å²	62.7	41%	0.406	36%	0.358	S	S	.	.			trans	-74.9	104.7	178	-179.5	-21.2	0	0	0	110.8	E358 A362 L363 S364	E358-N360 HydrophobicContact CG-CB 4.25Å; E358-N360 VanDerWaalsContact OE1-CB 3.24Å; E358-N360 WeakPolarHBondContact OE1-CB 3.43Å; E358-N360 PolarHBondContact OE1-N 3.01Å; N360-A362 PolarHBondContact O-N 2.89Å; N360-A362 WeakPolarHBondContact OD1-CB 3.21Å; N360-A362 PolarHBondContact OD1-N 2.73Å; N360-L363 HydrophobicContact CB-CB 4.08Å; N360-L363 PolarHBondContact O-N 2.98Å; N360-L363 PolarHBondContact OD1-N 2.88Å; N360-S364 WeakPolarHBondContact O-CB 3.28Å; N360-S364 PolarHBondContact O-N 3.47Å
361	T	91.6	Very high	95.1	Very high	98 Å²	98	59.5 Å²	59.5	60%	0.601	34%	0.336	S	S	*	.	H	α-helix	trans	-55.9	-23.9	-178.8	-35.9	0	0	0	0	115.1	D359 R365	D359-T361 PolarHBondContact O-N 3.24Å; T361-R365 WeakPolarHBondContact O-CB 3.48Å; T361-R365 PolarHBondContact O-N 3.29Å; T361-R365 PolarHBondContact O-NH1 3.37Å
362	A	91.9	Very high	95.1	Very high	27 Å²	27	63 Å²	63	22%	0.223	35%	0.352	C	S	.	.	H	α-helix	trans	-78.5	-48.3	174.3	0	0	0	0	0	111.2	N360 R365 A366	N360-A362 PolarHBondContact O-N 2.89Å; N360-A362 WeakPolarHBondContact OD1-CB 3.21Å; N360-A362 PolarHBondContact OD1-N 2.73Å; A362-R365 PolarHBondContact O-N 3.16Å; A362-A366 PolarHBondContact O-N 2.98Å
363	L	93.9	Very high	95.1	Very high	54 Å²	54	61.5 Å²	61.5	28%	0.283	34%	0.339	S	S	.	.	H	α-helix	trans	-66.7	-41.4	177.9	-177.1	57	0	0	0	111.9	E358 N360 R365 A366 L367 I521	E358-L363 HydrophobicContact CG-CB 3.98Å; E358-L363 HydrophobicContact CG-CD2 4.09Å; E358-L363 HydrophobicContact CG-CG 3.98Å; N360-L363 HydrophobicContact CB-CB 4.08Å; N360-L363 PolarHBondContact O-N 2.98Å; N360-L363 PolarHBondContact OD1-N 2.88Å; L363-R365 PolarHBondContact O-N 3.43Å; L363-A366 PolarHBondContact O-N 3.06Å; L363-L367 HydrophobicContact CD1-CD1 4.25Å; L363-L367 HydrophobicContact CD1-CG 4.15Å; L363-L367 HydrophobicContact CG-CD1 4Å; L363-L367 HydrophobicContact CG-CG 4.38Å; L363-L367 WeakPolarHBondContact O-CB 3.47Å; L363-L367 VanDerWaalsContact O-CG 3.29Å; L363-L367 WeakPolarHBondContact O-CG 3.25Å; L363-L367 PolarHBondContact O-N 3.39Å; L363-I521 HydrophobicContact CD1-CD1 4.18Å; L363-I521 HydrophobicContact CD1-CG2 4.21Å
364	S	94.8	Very high	95.2	Very high	30 Å²	30	57 Å²	57	21%	0.21	32%	0.317	C	S	.	.	H	α-helix	trans	-55.7	-46.1	173.2	171.8	0	0	0	0	112.2	G355 N360 S368	G355-S364 WeakPolarHBondContact O-CB 3.3Å; G355-S364 PolarHBondContact O-OG 3.36Å; N360-S364 WeakPolarHBondContact O-CB 3.28Å; N360-S364 PolarHBondContact O-N 3.47Å; S364-S368 WeakPolarHBondContact O-CB 3.27Å; S364-S368 PolarHBondContact O-N 3.08Å; S364-S368 PolarHBondContact O-OG 2.61Å
365	R	93.6	Very high	95.3	Very high	116 Å²	116	57.1 Å²	57.1	44%	0.438	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-48.4	174.9	-176.9	-175.7	-56.8	94.8	9.2	111.5	T361 A362 L363 L367 S368 Q369 E517	T361-R365 WeakPolarHBondContact O-CB 3.48Å; T361-R365 PolarHBondContact O-N 3.29Å; T361-R365 PolarHBondContact O-NH1 3.37Å; A362-R365 PolarHBondContact O-N 3.16Å; L363-R365 PolarHBondContact O-N 3.43Å; R365-L367 PolarHBondContact O-N 3.37Å; R365-S368 PolarHBondContact O-N 3.2Å; R365-Q369 PolarHBondContact O-N 3.35Å; R365-E517 WeakPolarHBondContact CD-OE2 3.45Å
366	A	95.2	Very high	95.5	Very high	3 Å²	3	60.5 Å²	60.5	3%	0.025	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-41.4	-179.1	0	0	0	0	0	111.9	A362 L363 S368 Q369 L370 F514 I521	A362-A366 PolarHBondContact O-N 2.98Å; L363-A366 PolarHBondContact O-N 3.06Å; A366-S368 PolarHBondContact O-N 3.38Å; A366-Q369 PolarHBondContact O-N 3.05Å; A366-L370 WeakPolarHBondContact O-CB 3.39Å; A366-L370 PolarHBondContact O-N 2.97Å; A366-F514 WeakPolarHBondContact O-CE2 3.37Å; A366-I521 HydrophobicContact CB-CD1 3.57Å; A366-I521 HydrophobicContact CB-CG1 3.72Å
367	L	96.4	Very high	95.6	Very high	21 Å²	21	56.1 Å²	56.1	11%	0.11	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-40.7	174	-73.5	169.2	0	0	0	112.5	L351 L354 E358 L363 R365 L370 A371	L351-L367 HydrophobicContact CD2-CD2 3.85Å; L354-L367 HydrophobicContact CB-CD1 4.43Å; L354-L367 HydrophobicContact CD2-CD1 4.02Å; L354-L367 HydrophobicContact CD2-CD2 4.11Å; L354-L367 HydrophobicContact CG-CD1 3.89Å; E358-L367 HydrophobicContact CB-CD1 4.47Å; L363-L367 HydrophobicContact CD1-CD1 4.25Å; L363-L367 HydrophobicContact CD1-CG 4.15Å; L363-L367 HydrophobicContact CG-CD1 4Å; L363-L367 HydrophobicContact CG-CG 4.38Å; L363-L367 WeakPolarHBondContact O-CB 3.47Å; L363-L367 VanDerWaalsContact O-CG 3.29Å; L363-L367 WeakPolarHBondContact O-CG 3.25Å; L363-L367 PolarHBondContact O-N 3.39Å; R365-L367 PolarHBondContact O-N 3.37Å; L367-L370 PolarHBondContact O-N 3.31Å; L367-A371 PolarHBondContact O-N 3.42Å
368	S	95.3	Very high	95.7	Very high	45 Å²	45	54.2 Å²	54.2	32%	0.315	28%	0.279	S	S	.	.	H	α-helix	trans	-65.6	-40.3	175.5	-55.3	0	0	0	0	112	S364 R365 A366 A371 E372	S364-S368 WeakPolarHBondContact O-CB 3.27Å; S364-S368 PolarHBondContact O-N 3.08Å; S364-S368 PolarHBondContact O-OG 2.61Å; R365-S368 PolarHBondContact O-N 3.2Å; A366-S368 PolarHBondContact O-N 3.38Å; S368-A371 WeakPolarHBondContact O-CB 3.44Å; S368-A371 PolarHBondContact O-N 3.36Å; S368-E372 PolarHBondContact O-N 3.25Å
369	Q	95.8	Very high	95.9	Very high	65 Å²	65	56.7 Å²	56.7	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-71.1	-32.2	175	-72.3	-60.1	-59.1	0	0	112.6	R365 A366 E372 V373 F514 E517	R365-Q369 PolarHBondContact O-N 3.35Å; A366-Q369 PolarHBondContact O-N 3.05Å; Q369-E372 PolarHBondContact NE2-OE1 3.26Å; Q369-E372 WeakPolarHBondContact O-CB 3.47Å; Q369-E372 PolarHBondContact O-N 3.32Å; Q369-V373 WeakPolarHBondContact O-CG2 3.24Å; Q369-V373 PolarHBondContact O-N 3.24Å; Q369-F514 HydrophobicContact CB-CD2 4.25Å; Q369-F514 HydrophobicContact CB-CE2 4.19Å; Q369-E517 HydrophobicContact CB-CG 4.42Å; Q369-E517 HydrophobicContact CG-CG 4.21Å
370	L	97.4	Very high	96.2	Very high	31 Å²	31	49.2 Å²	49.2	16%	0.162	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-43.7	172.5	-145.9	-47.8	0	0	0	110.2	L351 A366 L367 E372 V373 E374 W511 F514	L351-L370 HydrophobicContact CD1-CB 4.14Å; L351-L370 HydrophobicContact CD1-CD1 3.78Å; L351-L370 HydrophobicContact CD1-CD2 4.02Å; L351-L370 HydrophobicContact CD1-CG 4.17Å; L351-L370 HydrophobicContact CD2-CD2 4.13Å; A366-L370 WeakPolarHBondContact O-CB 3.39Å; A366-L370 PolarHBondContact O-N 2.97Å; L367-L370 PolarHBondContact O-N 3.31Å; L370-E372 PolarHBondContact O-N 3.37Å; L370-V373 WeakPolarHBondContact O-CB 3.11Å; L370-V373 PolarHBondContact O-N 3.42Å; L370-E374 HydrophobicContact CD1-CG 3.63Å; L370-E374 WeakPolarHBondContact O-CG 3.33Å; L370-E374 PolarHBondContact O-N 3.1Å; L370-W511 HydrophobicContact CD1-CH2 3.98Å; L370-W511 HydrophobicContact CD1-CZ3 4.11Å; L370-F514 HydrophobicContact CB-CE2 3.8Å; L370-F514 HydrophobicContact CB-CZ 3.75Å; L370-F514 HydrophobicContact CD2-CE1 4.46Å; L370-F514 HydrophobicContact CD2-CZ 4.19Å; L370-F514 HydrophobicContact CG-CE1 3.88Å; L370-F514 HydrophobicContact CG-CE2 4.06Å; L370-F514 HydrophobicContact CG-CZ 3.59Å
371	A	98.1	Very high	96.4	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-57.7	-47.8	173.4	0	0	0	0	0	111.9	A348 L351 A352 L367 S368 V373 E374 E375	A348-A371 VanDerWaalsContact O-CB 3.24Å; A348-A371 WeakPolarHBondContact O-CB 3.44Å; L351-A371 HydrophobicContact CB-CB 3.89Å; A352-A371 HydrophobicContact CB-CB 3.85Å; L367-A371 PolarHBondContact O-N 3.42Å; S368-A371 WeakPolarHBondContact O-CB 3.44Å; S368-A371 PolarHBondContact O-N 3.36Å; A371-V373 PolarHBondContact O-N 3.02Å; A371-E374 PolarHBondContact O-N 2.97Å; A371-E375 WeakPolarHBondContact O-CG 3.41Å; A371-E375 PolarHBondContact O-N 3.45Å
372	E	97.5	Very high	96.7	Very high	84 Å²	84	45 Å²	45	39%	0.393	22%	0.222	S	C	.	.	H	α-helix	trans	-59	-26.8	173.9	-98	-156.7	-115.4	0	0	114	S368 Q369 L370 K376	S368-E372 PolarHBondContact O-N 3.25Å; Q369-E372 PolarHBondContact NE2-OE1 3.26Å; Q369-E372 WeakPolarHBondContact O-CB 3.47Å; Q369-E372 PolarHBondContact O-N 3.32Å; L370-E372 PolarHBondContact O-N 3.37Å; E372-K376 VanDerWaalsContact O-CD 3.28Å; E372-K376 WeakPolarHBondContact O-CD 3.4Å; E372-K376 WeakPolarHBondContact O-CE 3.43Å; E372-K376 VanDerWaalsContact O-CG 3.24Å; E372-K376 WeakPolarHBondContact O-CG 3.37Å; E372-K376 PolarHBondContact O-NZ 2.9Å; E372-K376 IonicContact OE2-NZ 2.88Å; E372-K376 PolarHBondContact OE2-NZ 2.93Å
373	V	98.3	Very high	96.9	Very high	8 Å²	8	47.7 Å²	47.7	5%	0.048	23%	0.23	C	C	.	.	H	α-helix	trans	-81.9	-44.7	177.4	164.2	0	0	0	0	110.1	Q369 L370 A371 E375 K376 I377 W511 F514	Q369-V373 WeakPolarHBondContact O-CG2 3.24Å; Q369-V373 PolarHBondContact O-N 3.24Å; L370-V373 WeakPolarHBondContact O-CB 3.11Å; L370-V373 PolarHBondContact O-N 3.42Å; A371-V373 PolarHBondContact O-N 3.02Å; V373-E375 VanDerWaalsContact C-N 3.34Å; V373-E375 PolarHBondContact O-N 3.01Å; V373-K376 WeakPolarHBondContact O-CB 3.46Å; V373-K376 PolarHBondContact O-N 2.78Å; V373-I377 HydrophobicContact CG1-CD1 3.82Å; V373-I377 WeakPolarHBondContact O-CG1 3.4Å; V373-I377 PolarHBondContact O-N 3.41Å; V373-W511 HydrophobicContact CG1-CD2 4.48Å; V373-W511 HydrophobicContact CG1-CE3 4.26Å; V373-W511 HydrophobicContact CG1-CH2 4.36Å; V373-W511 HydrophobicContact CG1-CZ3 4.2Å; V373-F514 HydrophobicContact CG2-CB 3.99Å; V373-F514 HydrophobicContact CG2-CD2 4.31Å; V373-F514 HydrophobicContact CG2-CG 4.38Å
374	E	98.4	Very high	97.1	Very high	22 Å²	22	45.8 Å²	45.8	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-63.8	-35.7	175.5	-64.6	-70.8	-176.6	0	0	111.8	T344 F347 A348 L351 L370 A371 K376 I377 E378 W511	T344-E374 HydrophobicContact CG2-CB 4.01Å; T344-E374 WeakPolarHBondContact CG2-O 3.15Å; T344-E374 WeakPolarHBondContact CG2-OE2 3.38Å; F347-E374 HydrophobicContact CD1-CG 3.91Å; F347-E374 HydrophobicContact CE1-CG 4.09Å; F347-E374 WeakPolarHBondContact CE1-OE1 3.48Å; A348-E374 HydrophobicContact CB-CB 3.61Å; L351-E374 HydrophobicContact CD1-CG 4.03Å; L370-E374 HydrophobicContact CD1-CG 3.63Å; L370-E374 WeakPolarHBondContact O-CG 3.33Å; L370-E374 PolarHBondContact O-N 3.1Å; A371-E374 PolarHBondContact O-N 2.97Å; E374-K376 VanDerWaalsContact C-N 3.28Å; E374-K376 PolarHBondContact O-N 3.25Å; E374-I377 CarbonylContact O-C 3.56Å; E374-I377 PolarHBondContact O-N 3.04Å; E374-I377 VanDerWaalsContact O-N 3.16Å; E374-E378 WeakPolarHBondContact O-CB 3.37Å; E374-E378 PolarHBondContact O-N 3.1Å; E374-W511 WeakPolarHBondContact OE1-CH2 3.42Å
375	E	98.4	Very high	97.3	Very high	97 Å²	97	44.4 Å²	44.4	45%	0.453	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-34.4	170.3	-75.6	-177.9	179.8	0	0	112.9	A348 A371 V373 Q379	A348-E375 HydrophobicContact CB-CG 3.92Å; A371-E375 WeakPolarHBondContact O-CG 3.41Å; A371-E375 PolarHBondContact O-N 3.45Å; V373-E375 VanDerWaalsContact C-N 3.34Å; V373-E375 PolarHBondContact O-N 3.01Å; E375-Q379 WeakPolarHBondContact O-CG 3.33Å; E375-Q379 PolarHBondContact O-N 2.72Å; E375-Q379 PolarHBondContact O-NE2 2.81Å
376	K	98.4	Very high	97.4	Very high	71 Å²	71	41 Å²	41	31%	0.309	20%	0.2	S	C	.	.	H	α-helix	trans	-77.2	-29.2	176.7	-64.2	167.3	-173	98.9	0	111.4	E372 V373 E374 L380 Y510	E372-K376 VanDerWaalsContact O-CD 3.28Å; E372-K376 WeakPolarHBondContact O-CD 3.4Å; E372-K376 WeakPolarHBondContact O-CE 3.43Å; E372-K376 VanDerWaalsContact O-CG 3.24Å; E372-K376 WeakPolarHBondContact O-CG 3.37Å; E372-K376 PolarHBondContact O-NZ 2.9Å; E372-K376 IonicContact OE2-NZ 2.88Å; E372-K376 PolarHBondContact OE2-NZ 2.93Å; V373-K376 WeakPolarHBondContact O-CB 3.46Å; V373-K376 PolarHBondContact O-N 2.78Å; E374-K376 VanDerWaalsContact C-N 3.28Å; E374-K376 PolarHBondContact O-N 3.25Å; K376-L380 WeakPolarHBondContact O-CB 3.36Å; K376-L380 PolarHBondContact O-N 2.86Å; K376-Y510 HydrophobicContact CB-CD2 3.94Å; K376-Y510 HydrophobicContact CB-CE1 4.36Å; K376-Y510 HydrophobicContact CB-CE2 3.73Å; K376-Y510 HydrophobicContact CB-CG 4.35Å; K376-Y510 WeakPolarHBondContact O-CE2 3.47Å
377	I	98.5	Very high	97.4	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-75.8	-36.5	174.7	-67.1	170.3	0	0	0	111.2	T344 V373 E374 L380 H381 L507 Y510 W511	T344-I377 HydrophobicContact CG2-CB 4.4Å; T344-I377 HydrophobicContact CG2-CG2 4.24Å; V373-I377 HydrophobicContact CG1-CD1 3.82Å; V373-I377 WeakPolarHBondContact O-CG1 3.4Å; V373-I377 PolarHBondContact O-N 3.41Å; E374-I377 CarbonylContact O-C 3.56Å; E374-I377 PolarHBondContact O-N 3.04Å; E374-I377 VanDerWaalsContact O-N 3.16Å; I377-L380 WeakPolarHBondContact O-CB 3.47Å; I377-L380 PolarHBondContact O-N 2.92Å; I377-H381 WeakPolarHBondContact CG2-CE1 3.45Å; I377-H381 PolarHBondContact O-N 2.74Å; I377-H381 PolarHBondContact O-ND1 2.96Å; I377-L507 HydrophobicContact CD1-CD1 3.73Å; I377-L507 HydrophobicContact CG1-CD1 3.68Å; I377-L507 HydrophobicContact CG2-CD1 4.16Å; I377-Y510 HydrophobicContact CG1-CD2 4Å; I377-W511 HydrophobicContact CD1-CH2 4.37Å; I377-W511 HydrophobicContact CD1-CZ2 3.5Å; I377-W511 VanDerWaalsContact CD1-CZ2 3.5Å
378	E	98	Very high	97.5	Very high	53 Å²	53	41.3 Å²	41.3	25%	0.248	20%	0.201	C	C	.	.	H	α-helix	trans	-58.8	-52.8	173.7	177.2	-89.2	150.2	0	0	111.9	A341 T344 A345 E374 L380 H381 Q382	A341-E378 WeakPolarHBondContact O-CG 3.49Å; T344-E378 HydrophobicContact CG2-CB 3.87Å; A345-E378 HydrophobicContact CB-CG 3.84Å; E374-E378 WeakPolarHBondContact O-CB 3.37Å; E374-E378 PolarHBondContact O-N 3.1Å; E378-L380 PolarHBondContact O-N 3.24Å; E378-H381 PolarHBondContact O-N 2.89Å; E378-Q382 PolarHBondContact O-N 2.91Å
379	Q	97.9	Very high	97.6	Very high	120 Å²	120	40.5 Å²	40.5	56%	0.561	19%	0.192	S	C	*	.	H	α-helix	trans	-57.2	-37.8	175.2	-68.8	168.5	42.8	0	0	111.7	E375 Q382 E383	E375-Q379 WeakPolarHBondContact O-CG 3.33Å; E375-Q379 PolarHBondContact O-N 2.72Å; E375-Q379 PolarHBondContact O-NE2 2.81Å; Q379-Q382 PolarHBondContact O-N 3.49Å; Q379-E383 PolarHBondContact O-N 2.74Å
380	L	97.9	Very high	97.5	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-69.9	-41.9	177.9	-172.6	67.3	0	0	0	112.5	K376 I377 E378 Q382 E383 Q384 S503 Q506 L507 Y510	K376-L380 WeakPolarHBondContact O-CB 3.36Å; K376-L380 PolarHBondContact O-N 2.86Å; I377-L380 WeakPolarHBondContact O-CB 3.47Å; I377-L380 PolarHBondContact O-N 2.92Å; E378-L380 PolarHBondContact O-N 3.24Å; L380-Q382 VanDerWaalsContact C-N 3.28Å; L380-Q382 PolarHBondContact O-N 3.35Å; L380-E383 PolarHBondContact O-N 3.31Å; L380-Q384 VanDerWaalsContact O-CB 3.3Å; L380-Q384 WeakPolarHBondContact O-CB 3.35Å; L380-Q384 WeakPolarHBondContact O-CG 3.18Å; L380-Q384 PolarHBondContact O-N 3.27Å; L380-S503 WeakPolarHBondContact CD2-O 3.22Å; L380-Q506 HydrophobicContact CD1-CB 4.26Å; L380-Q506 HydrophobicContact CD2-CB 4.16Å; L380-L507 HydrophobicContact CD2-CB 3.98Å; L380-Y510 HydrophobicContact CD2-CE2 4.2Å
381	H	98.3	Very high	97.4	Very high	25 Å²	25	38.6 Å²	38.6	12%	0.116	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-38	172.6	-69.7	153.9	0	0	0	111.4	A341 T344 I377 E378 A385	A341-H381 HydrophobicContact CB-CB 3.74Å; T344-H381 PolarHBondContact OG1-ND1 2.73Å; I377-H381 WeakPolarHBondContact CG2-CE1 3.45Å; I377-H381 PolarHBondContact O-N 2.74Å; I377-H381 PolarHBondContact O-ND1 2.96Å; E378-H381 PolarHBondContact O-N 2.89Å; H381-A385 WeakPolarHBondContact O-CB 3.47Å; H381-A385 PolarHBondContact O-N 3.43Å
382	Q	97.3	Very high	97.4	Very high	61 Å²	61	39.6 Å²	39.6	29%	0.285	19%	0.187	S	C	.	.	H	α-helix	trans	-70.3	-40.1	176.1	-178	67.7	-11.5	0	0	112.4	A341 E378 Q379 L380 A385 N386	A341-Q382 HydrophobicContact CB-CB 4.34Å; E378-Q382 PolarHBondContact O-N 2.91Å; Q379-Q382 PolarHBondContact O-N 3.49Å; L380-Q382 VanDerWaalsContact C-N 3.28Å; L380-Q382 PolarHBondContact O-N 3.35Å; Q382-A385 PolarHBondContact O-N 2.85Å; Q382-N386 PolarHBondContact O-N 2.89Å; Q382-N386 VanDerWaalsContact O-N 3.13Å; Q382-N386 PolarHBondContact O-ND2 2.97Å
383	E	96.7	Very high	97.4	Very high	83 Å²	83	35.6 Å²	35.6	39%	0.388	17%	0.168	S	C	.	.	H	α-helix	trans	-60.8	-48.7	170.8	-173	-173.4	173.8	0	0	110.7	Q379 L380 A385 N386 N387	Q379-E383 PolarHBondContact O-N 2.74Å; L380-E383 PolarHBondContact O-N 3.31Å; E383-A385 PolarHBondContact O-N 3.01Å; E383-N386 WeakPolarHBondContact O-CB 3.31Å; E383-N386 PolarHBondContact O-N 3.15Å; E383-N387 PolarHBondContact O-N 3.32Å; E383-N387 PolarHBondContact O-ND2 2.76Å
384	Q	97.6	Very high	97.2	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.065	17%	0.17	C	C	.	.	H	α-helix	trans	-57.1	-45.1	176.1	-83.2	-172.6	-24.1	0	0	112.8	R337 L380 N386 N387 D388 S503	R337-Q384 VanDerWaalsContact CD-CB 3.46Å; L380-Q384 VanDerWaalsContact O-CB 3.3Å; L380-Q384 WeakPolarHBondContact O-CB 3.35Å; L380-Q384 WeakPolarHBondContact O-CG 3.18Å; L380-Q384 PolarHBondContact O-N 3.27Å; Q384-N386 VanDerWaalsContact C-N 3.27Å; Q384-N386 PolarHBondContact O-N 3.12Å; Q384-N387 PolarHBondContact O-N 3.49Å; Q384-N387 VanDerWaalsContact O-N 3.14Å; Q384-D388 PolarHBondContact O-N 3.13Å; Q384-S503 VanDerWaalsContact CG-OG 3.32Å; Q384-S503 WeakPolarHBondContact CG-OG 3.4Å
385	A	97.6	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.5	-29.9	179.2	0	0	0	0	0	112.5	R337 K338 H381 Q382 E383 F389	R337-A385 HydrophobicContact CB-CB 4Å; R337-A385 HydrophobicContact CG-CB 4.09Å; K338-A385 HydrophobicContact CG-CB 3.79Å; H381-A385 WeakPolarHBondContact O-CB 3.47Å; H381-A385 PolarHBondContact O-N 3.43Å; Q382-A385 PolarHBondContact O-N 2.85Å; E383-A385 PolarHBondContact O-N 3.01Å; A385-F389 WeakPolarHBondContact O-CB 3.34Å; A385-F389 PolarHBondContact O-N 3.03Å
386	N	95.6	Very high	97	Very high	46 Å²	46	30.5 Å²	30.5	25%	0.246	14%	0.144	C	C	.	.	H	α-helix	trans	-70.9	-42.3	169.9	-71.8	-44.8	0	0	0	111.3	Q382 E383 Q384 F389 F390	Q382-N386 PolarHBondContact O-N 2.89Å; Q382-N386 VanDerWaalsContact O-N 3.13Å; Q382-N386 PolarHBondContact O-ND2 2.97Å; E383-N386 WeakPolarHBondContact O-CB 3.31Å; E383-N386 PolarHBondContact O-N 3.15Å; Q384-N386 VanDerWaalsContact C-N 3.27Å; Q384-N386 PolarHBondContact O-N 3.12Å; N386-F389 PolarHBondContact O-N 3.5Å; N386-F390 HydrophobicContact CB-CD2 4.37Å; N386-F390 VanDerWaalsContact O-CD2 3.3Å; N386-F390 WeakPolarHBondContact O-CD2 3.39Å; N386-F390 PolarHBondContact O-N 2.72Å
387	N	96.7	Very high	96.9	Very high	30 Å²	30	27.9 Å²	27.9	16%	0.16	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-43.5	176.3	-75.6	-41.1	0	0	0	112.4	E383 Q384 F389 L391	E383-N387 PolarHBondContact O-N 3.32Å; E383-N387 PolarHBondContact O-ND2 2.76Å; Q384-N387 PolarHBondContact O-N 3.49Å; Q384-N387 VanDerWaalsContact O-N 3.14Å; N387-F389 VanDerWaalsContact C-N 3.26Å; N387-F389 PolarHBondContact O-N 3.39Å; N387-L391 HydrophobicContact CB-CD1 4.21Å; N387-L391 VanDerWaalsContact O-CB 3.26Å; N387-L391 WeakPolarHBondContact O-CB 3.46Å; N387-L391 WeakPolarHBondContact O-CG 3.39Å; N387-L391 PolarHBondContact O-N 3.07Å
388	D	97.9	Very high	96.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	I	π-helix	trans	-52.2	-46.3	171	-64.1	-27.8	0	0	0	111.1	V334 R337 Q384 L392 A393 Y496	V334-D388 HydrophobicContact CG2-CB 3.55Å; R337-D388 WeakPolarHBondContact CD-OD2 3.3Å; R337-D388 IonicContact CZ-OD1 3.03Å; R337-D388 IonicContact CZ-OD2 2.86Å; R337-D388 IonicContact NE-OD2 3.35Å; R337-D388 PolarHBondContact NE-OD2 3.37Å; R337-D388 IonicContact NH1-OD1 2.77Å; R337-D388 PolarHBondContact NH1-OD1 2.91Å; R337-D388 IonicContact NH1-OD2 3.27Å; R337-D388 PolarHBondContact NH1-OD2 3.04Å; R337-D388 IonicContact NH2-OD1 2.68Å; R337-D388 IonicContact NH2-OD2 3.71Å; Q384-D388 PolarHBondContact O-N 3.13Å; D388-L392 WeakPolarHBondContact O-CB 3.45Å; D388-L392 PolarHBondContact O-N 3.13Å; D388-A393 PolarHBondContact O-N 2.73Å; D388-Y496 WeakPolarHBondContact OD1-CE2 3.47Å; D388-Y496 PolarHBondContact OD1-OH 3.03Å
389	F	96.6	Very high	96.7	Very high	27 Å²	27	25.8 Å²	25.8	12%	0.118	13%	0.125	C	C	.	.	I	π-helix	trans	-69.6	-55.5	-177.8	-175.5	-90.3	0	0	0	112.3	K237 V334 A385 N386 N387 A393 E394	K237-F389 HydrophobicContact CB-CE1 4.23Å; K237-F389 HydrophobicContact CD-CD1 4.05Å; K237-F389 HydrophobicContact CD-CE1 3.43Å; K237-F389 VanDerWaalsContact CD-CE1 3.43Å; K237-F389 HydrophobicContact CD-CE2 4.46Å; K237-F389 HydrophobicContact CD-CZ 3.68Å; K237-F389 VanDerWaalsContact CE-CE1 3.49Å; K237-F389 HydrophobicContact CG-CD1 4.12Å; K237-F389 HydrophobicContact CG-CE1 3.5Å; K237-F389 HydrophobicContact CG-CZ 4.19Å; K237-F389 VanDerWaalsContact NZ-CD1 3.27Å; K237-F389 VanDerWaalsContact NZ-CE1 3.3Å; K237-F389 VanDerWaalsContact NZ-CG 3.25Å; K237-F389 VanDerWaalsContact NZ-CZ 3.28Å; V334-F389 HydrophobicContact CG1-CB 4.19Å; V334-F389 HydrophobicContact CG1-CD2 4.3Å; V334-F389 HydrophobicContact CG2-CB 4.02Å; V334-F389 HydrophobicContact CG2-CD2 4.5Å; A385-F389 WeakPolarHBondContact O-CB 3.34Å; A385-F389 PolarHBondContact O-N 3.03Å; N386-F389 PolarHBondContact O-N 3.5Å; N387-F389 VanDerWaalsContact C-N 3.26Å; N387-F389 PolarHBondContact O-N 3.39Å; F389-A393 HydrophobicContact CD2-CB 4.15Å; F389-A393 WeakPolarHBondContact O-CB 3.45Å; F389-A393 PolarHBondContact O-N 2.97Å; F389-E394 HydrophobicContact CD1-CG 3.87Å; F389-E394 HydrophobicContact CE1-CG 3.31Å; F389-E394 HydrophobicContact CZ-CG 3.71Å; F389-E394 WeakPolarHBondContact CZ-OE1 3.01Å; F389-E394 WeakPolarHBondContact O-CB 3.16Å; F389-E394 WeakPolarHBondContact O-CG 3.33Å; F389-E394 PolarHBondContact O-N 3.48Å
390	F	95	Very high	96.7	Very high	46 Å²	46	20.6 Å²	20.6	20%	0.202	10%	0.101	C	C	.	.	I	π-helix	trans	-77.4	-28.3	-170.6	-78.7	-78.5	0	0	0	114	E236 K237 A240 N386	E236-F390 HydrophobicContact CB-CZ 4.5Å; E236-F390 HydrophobicContact CG-CE1 4.22Å; E236-F390 HydrophobicContact CG-CZ 3.84Å; K237-F390 HydrophobicContact CB-CE1 4.48Å; K237-F390 HydrophobicContact CB-CZ 4.46Å; K237-F390 HydrophobicContact CG-CE1 3.96Å; K237-F390 HydrophobicContact CG-CE2 4.36Å; K237-F390 HydrophobicContact CG-CZ 3.57Å; A240-F390 HydrophobicContact CB-CD1 4.07Å; A240-F390 HydrophobicContact CB-CE1 3.92Å; N386-F390 HydrophobicContact CB-CD2 4.37Å; N386-F390 VanDerWaalsContact O-CD2 3.3Å; N386-F390 WeakPolarHBondContact O-CD2 3.39Å; N386-F390 PolarHBondContact O-N 2.72Å
391	L	95.9	Very high	96.6	Very high	11 Å²	11	22 Å²	22	6%	0.058	11%	0.106	C	C	.	.	I	π-helix	trans	-97.1	-31	-177.6	-54.8	179.4	0	0	0	113.2	N387 L395 K495 Y496 T499	N387-L391 HydrophobicContact CB-CD1 4.21Å; N387-L391 VanDerWaalsContact O-CB 3.26Å; N387-L391 WeakPolarHBondContact O-CB 3.46Å; N387-L391 WeakPolarHBondContact O-CG 3.39Å; N387-L391 PolarHBondContact O-N 3.07Å; L391-L395 WeakPolarHBondContact O-CB 3.24Å; L391-K495 HydrophobicContact CD1-CD 4.5Å; L391-K495 HydrophobicContact CD1-CG 4.15Å; L391-K495 HydrophobicContact CD2-CD 3.9Å; L391-K495 HydrophobicContact CD2-CG 4.42Å; L391-Y496 HydrophobicContact CB-CD2 4.33Å; L391-T499 HydrophobicContact CD1-CG2 3.91Å
392	L	97.2	Very high	96.5	Very high	23 Å²	23	21.2 Å²	21.2	12%	0.12	10%	0.102	C	C	.	.	I	π-helix	trans	-117.3	-53.5	-174.8	-172.9	62.1	0	0	0	113.4	V330 D388 E394 L395 L396 Y496	V330-L392 HydrophobicContact CG1-CB 4.25Å; V330-L392 HydrophobicContact CG1-CD2 3.96Å; V330-L392 HydrophobicContact CG1-CG 3.96Å; V330-L392 HydrophobicContact CG2-CD2 3.65Å; V330-L392 HydrophobicContact CG2-CG 4.04Å; D388-L392 WeakPolarHBondContact O-CB 3.45Å; D388-L392 PolarHBondContact O-N 3.13Å; L392-E394 PolarHBondContact O-N 3.23Å; L392-L395 PolarHBondContact O-N 3.43Å; L392-L396 HydrophobicContact CD1-CD1 4.01Å; L392-L396 HydrophobicContact CD1-CG 4.3Å; L392-L396 HydrophobicContact CG-CD1 3.98Å; L392-L396 WeakPolarHBondContact O-CB 3.36Å; L392-L396 WeakPolarHBondContact O-CD1 3.44Å; L392-L396 VanDerWaalsContact O-CG 3.23Å; L392-L396 WeakPolarHBondContact O-CG 3.26Å; L392-L396 PolarHBondContact O-N 3.02Å; L392-Y496 HydrophobicContact CB-CD2 4.47Å; L392-Y496 HydrophobicContact CD2-CD1 4.26Å; L392-Y496 HydrophobicContact CD2-CE1 3.72Å
393	A	97	Very high	96.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.088	C	C	.	.	I	π-helix	trans	-61.9	-48.6	-177.6	0	0	0	0	0	111.8	H327 V330 D388 F389 L395 L396 S397	H327-A393 PolarHBondContact CD2-O 3.42Å; H327-A393 VanDerWaalsContact CD2-O 3.24Å; H327-A393 PolarHBondContact NE2-O 2.92Å; V330-A393 HydrophobicContact CG1-CB 3.8Å; D388-A393 PolarHBondContact O-N 2.73Å; F389-A393 HydrophobicContact CD2-CB 4.15Å; F389-A393 WeakPolarHBondContact O-CB 3.45Å; F389-A393 PolarHBondContact O-N 2.97Å; A393-L395 PolarHBondContact O-N 3.26Å; A393-L396 PolarHBondContact O-N 3.33Å; A393-S397 VanDerWaalsContact O-CB 3.32Å; A393-S397 WeakPolarHBondContact O-CB 3.39Å; A393-S397 PolarHBondContact O-N 3.39Å
394	E	94.6	Very high	96.5	Very high	19 Å²	19	14.8 Å²	14.8	9%	0.089	7%	0.074	C	C	.	.	H	α-helix	trans	-63.9	-38.2	178.6	-80.8	-79.2	113.1	0	0	113.2	R244 F389 L392 S397 D398	R244-E394 IonicContact CZ-OE2 3.44Å; R244-E394 VanDerWaalsContact CZ-OE2 3.27Å; R244-E394 IonicContact NH1-OE2 3.42Å; R244-E394 PolarHBondContact NH1-OE2 2.86Å; R244-E394 IonicContact NH2-OE2 2.65Å; R244-E394 PolarHBondContact NH2-OE2 2.93Å; F389-E394 HydrophobicContact CD1-CG 3.87Å; F389-E394 HydrophobicContact CE1-CG 3.31Å; F389-E394 HydrophobicContact CZ-CG 3.71Å; F389-E394 WeakPolarHBondContact CZ-OE1 3.01Å; F389-E394 WeakPolarHBondContact O-CB 3.16Å; F389-E394 WeakPolarHBondContact O-CG 3.33Å; F389-E394 PolarHBondContact O-N 3.48Å; L392-E394 PolarHBondContact O-N 3.23Å; E394-S397 PolarHBondContact O-N 2.99Å; E394-D398 PolarHBondContact O-N 2.69Å
395	L	95.9	Very high	96.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-61	-51.4	174.3	175.8	76.8	0	0	0	111	L391 L392 A393 S397 D398 Y399 F489 H492	L391-L395 WeakPolarHBondContact O-CB 3.24Å; L392-L395 PolarHBondContact O-N 3.43Å; A393-L395 PolarHBondContact O-N 3.26Å; L395-S397 VanDerWaalsContact C-N 3.3Å; L395-S397 PolarHBondContact O-N 2.81Å; L395-D398 PolarHBondContact O-N 3.44Å; L395-Y399 HydrophobicContact CD1-CD2 3.91Å; L395-Y399 HydrophobicContact CD1-CE2 3.81Å; L395-Y399 HydrophobicContact CG-CD2 4.33Å; L395-Y399 WeakPolarHBondContact O-CD2 3.48Å; L395-Y399 PolarHBondContact O-N 2.87Å; L395-F489 HydrophobicContact CD2-CD1 3.6Å; L395-F489 HydrophobicContact CD2-CE1 3.75Å; L395-F489 HydrophobicContact CD2-CG 4.16Å; L395-F489 HydrophobicContact CD2-CZ 4.43Å; L395-F489 HydrophobicContact CG-CD1 4.34Å; L395-F489 HydrophobicContact CG-CE1 4.18Å; L395-F489 HydrophobicContact CG-CZ 4.38Å; L395-H492 HydrophobicContact CD1-CB 4.15Å; L395-H492 HydrophobicContact CD2-CB 3.66Å; L395-H492 HydrophobicContact CG-CB 4.43Å
396	L	97.6	Very high	96.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.7	-42.2	177.2	-67.5	166.3	0	0	0	110.9	L323 L326 H327 V330 L392 A393 D398 Y399 I400 F489	L323-L396 HydrophobicContact CD2-CD2 3.85Å; L326-L396 HydrophobicContact CD2-CD1 4.2Å; L326-L396 HydrophobicContact CD2-CD2 3.76Å; L326-L396 HydrophobicContact CG-CD1 3.84Å; L326-L396 HydrophobicContact CG-CD2 4.18Å; H327-L396 HydrophobicContact CB-CB 4.08Å; V330-L396 HydrophobicContact CB-CD1 4.25Å; V330-L396 HydrophobicContact CG2-CD1 3.89Å; L392-L396 HydrophobicContact CD1-CD1 4.01Å; L392-L396 HydrophobicContact CD1-CG 4.3Å; L392-L396 HydrophobicContact CG-CD1 3.98Å; L392-L396 WeakPolarHBondContact O-CB 3.36Å; L392-L396 WeakPolarHBondContact O-CD1 3.44Å; L392-L396 VanDerWaalsContact O-CG 3.23Å; L392-L396 WeakPolarHBondContact O-CG 3.26Å; L392-L396 PolarHBondContact O-N 3.02Å; A393-L396 PolarHBondContact O-N 3.33Å; L396-D398 PolarHBondContact O-N 2.75Å; L396-Y399 PolarHBondContact O-N 3.03Å; L396-I400 WeakPolarHBondContact O-CD1 3.49Å; L396-I400 WeakPolarHBondContact O-CG1 3.36Å; L396-I400 PolarHBondContact O-N 3.23Å; L396-F489 HydrophobicContact CD2-CE1 3.88Å; L396-F489 HydrophobicContact CD2-CZ 4.1Å
397	S	95.6	Very high	96.5	Very high	15 Å²	15	14.9 Å²	14.9	11%	0.105	7%	0.071	C	C	.	.	H	α-helix	trans	-61	-43.1	178	-154.4	0	0	0	0	112.2	H327 A393 E394 L395 R401	H327-S397 WeakPolarHBondContact NE2-CB 3.46Å; H327-S397 PolarHBondContact NE2-OG 3.27Å; A393-S397 VanDerWaalsContact O-CB 3.32Å; A393-S397 WeakPolarHBondContact O-CB 3.39Å; A393-S397 PolarHBondContact O-N 3.39Å; E394-S397 PolarHBondContact O-N 2.99Å; L395-S397 VanDerWaalsContact C-N 3.3Å; L395-S397 PolarHBondContact O-N 2.81Å; S397-R401 VanDerWaalsContact O-CZ 3.24Å; S397-R401 PolarHBondContact O-N 3.24Å; S397-R401 PolarHBondContact O-NH1 2.83Å; S397-R401 PolarHBondContact OG-NH1 3.07Å; S397-R401 PolarHBondContact OG-NH2 3.22Å
398	D	95.4	Very high	96.4	Very high	9 Å²	9	14.6 Å²	14.6	5%	0.048	7%	0.073	C	C	.	.	H	α-helix	trans	-63.9	-46.7	174.9	-78.5	-6.1	0	0	0	111.9	R244 R248 E394 L395 L396 R401 L402	R244-D398 IonicContact CZ-OD2 3.96Å; R244-D398 VanDerWaalsContact CZ-OD2 3.25Å; R244-D398 IonicContact NE-OD2 3.04Å; R244-D398 PolarHBondContact NE-OD2 3.34Å; R244-D398 VanDerWaalsContact NH2-CG 3.29Å; R244-D398 IonicContact NH2-OD1 2.85Å; R244-D398 PolarHBondContact NH2-OD1 3.29Å; R244-D398 VanDerWaalsContact NH2-OD1 3.13Å; R244-D398 IonicContact NH2-OD2 3.1Å; R244-D398 PolarHBondContact NH2-OD2 2.96Å; R248-D398 IonicContact CZ-OD2 2.67Å; R248-D398 VanDerWaalsContact NH1-CG 3.33Å; R248-D398 IonicContact NH1-OD2 3.18Å; R248-D398 PolarHBondContact NH1-OD2 3.24Å; R248-D398 IonicContact NH2-OD2 2.8Å; R248-D398 PolarHBondContact NH2-OD2 3.35Å; E394-D398 PolarHBondContact O-N 2.69Å; L395-D398 PolarHBondContact O-N 3.44Å; L396-D398 PolarHBondContact O-N 2.75Å; D398-R401 WeakPolarHBondContact O-CB 3.46Å; D398-R401 PolarHBondContact O-N 2.86Å; D398-R401 VanDerWaalsContact O-N 3.15Å; D398-R401 IonicContact OD1-CZ 2.81Å; D398-R401 IonicContact OD1-NE 3.17Å; D398-R401 IonicContact OD1-NH2 3.11Å; D398-R401 PolarHBondContact OD1-NH2 3.34Å; D398-L402 WeakPolarHBondContact O-CG 3.38Å; D398-L402 PolarHBondContact O-N 2.81Å
399	Y	97.2	Very high	96.3	Very high	5 Å²	5	14.8 Å²	14.8	2%	0.02	7%	0.074	C	C	.	.	H	α-helix	trans	-71.8	-29.9	-177.4	-84.5	-75.6	0	0	0	113.7	L395 L396 R401 L402 L403 F481 K485 D488 F489	L395-Y399 HydrophobicContact CD1-CD2 3.91Å; L395-Y399 HydrophobicContact CD1-CE2 3.81Å; L395-Y399 HydrophobicContact CG-CD2 4.33Å; L395-Y399 WeakPolarHBondContact O-CD2 3.48Å; L395-Y399 PolarHBondContact O-N 2.87Å; L396-Y399 PolarHBondContact O-N 3.03Å; Y399-R401 VanDerWaalsContact C-N 3.34Å; Y399-L402 HydrophobicContact CD1-CB 4.41Å; Y399-L402 HydrophobicContact CD1-CD1 3.83Å; Y399-L402 HydrophobicContact CE1-CD1 3.75Å; Y399-L402 HydrophobicContact CG-CD1 4.28Å; Y399-L402 PolarHBondContact O-N 3.16Å; Y399-L403 WeakPolarHBondContact O-CB 3.29Å; Y399-L403 VanDerWaalsContact O-CG 3.26Å; Y399-L403 WeakPolarHBondContact O-CG 3.47Å; Y399-L403 PolarHBondContact O-N 3.13Å; Y399-F481 AromaticContact CD1-CE2 3.76Å; Y399-F481 HydrophobicContact CD1-CE2 3.76Å; Y399-F481 AromaticContact CD1-CZ 3.87Å; Y399-F481 HydrophobicContact CD1-CZ 3.87Å; Y399-F481 HydrophobicContact CE1-CD2 4.46Å; Y399-F481 AromaticContact CE1-CE2 3.61Å; Y399-F481 HydrophobicContact CE1-CE2 3.61Å; Y399-F481 HydrophobicContact CE1-CZ 4.09Å; Y399-K485 HydrophobicContact CD1-CB 4.24Å; Y399-K485 HydrophobicContact CD1-CD 4.41Å; Y399-K485 HydrophobicContact CD1-CG 3.92Å; Y399-K485 HydrophobicContact CE1-CB 3.64Å; Y399-K485 HydrophobicContact CE1-CG 3.8Å; Y399-D488 HydrophobicContact CE2-CB 4.1Å; Y399-D488 WeakPolarHBondContact CE2-OD2 3.28Å; Y399-D488 WeakPolarHBondContact OH-CB 3.44Å; Y399-D488 PolarHBondContact OH-OD2 3.2Å; Y399-F489 HydrophobicContact CD1-CE2 4.14Å; Y399-F489 AromaticContact CD2-CD2 4Å; Y399-F489 HydrophobicContact CD2-CD2 4Å; Y399-F489 AromaticContact CD2-CE2 3.43Å; Y399-F489 HydrophobicContact CD2-CE2 3.43Å; Y399-F489 VanDerWaalsContact CD2-CE2 3.43Å; Y399-F489 HydrophobicContact CD2-CZ 4.1Å; Y399-F489 HydrophobicContact CE2-CD2 4.19Å; Y399-F489 HydrophobicContact CE2-CE2 4.08Å; Y399-F489 HydrophobicContact CG-CD2 4.32Å; Y399-F489 AromaticContact CG-CE2 3.49Å; Y399-F489 HydrophobicContact CG-CE2 3.49Å; Y399-F489 VanDerWaalsContact CG-CE2 3.49Å; Y399-F489 HydrophobicContact CG-CZ 4.21Å
400	I	97.2	Very high	96.3	Very high	11 Å²	11	14.1 Å²	14.1	6%	0.056	7%	0.071	C	C	.	.	H	α-helix	trans	-61.2	-43.6	167.2	-67.8	159.4	0	0	0	110.8	E320 L323 R324 H327 L396 A404	E320-I400 HydrophobicContact CG-CG2 4.46Å; L323-I400 HydrophobicContact CB-CD1 4.33Å; L323-I400 HydrophobicContact CB-CG1 3.76Å; R324-I400 HydrophobicContact CB-CD1 4.47Å; R324-I400 HydrophobicContact CG-CD1 3.97Å; R324-I400 HydrophobicContact CG-CG1 4.05Å; R324-I400 HydrophobicContact CG-CG2 3.79Å; R324-I400 VanDerWaalsContact CZ-CG2 3.43Å; H327-I400 HydrophobicContact CB-CD1 3.58Å; L396-I400 WeakPolarHBondContact O-CD1 3.49Å; L396-I400 WeakPolarHBondContact O-CG1 3.36Å; L396-I400 PolarHBondContact O-N 3.23Å; I400-A404 PolarHBondContact O-N 3.44Å
401	R	96	Very high	96.2	Very high	37 Å²	37	13.1 Å²	13.1	14%	0.14	7%	0.068	C	C	.	.	H	α-helix	trans	-65.6	-40.3	175.8	-74	-175.5	-74.5	-83.3	-1.3	112	P210 S397 D398 Y399 A404 I405	P210-R401 HydrophobicContact CG-CB 3.74Å; S397-R401 VanDerWaalsContact O-CZ 3.24Å; S397-R401 PolarHBondContact O-N 3.24Å; S397-R401 PolarHBondContact O-NH1 2.83Å; S397-R401 PolarHBondContact OG-NH1 3.07Å; S397-R401 PolarHBondContact OG-NH2 3.22Å; D398-R401 WeakPolarHBondContact O-CB 3.46Å; D398-R401 PolarHBondContact O-N 2.86Å; D398-R401 VanDerWaalsContact O-N 3.15Å; D398-R401 IonicContact OD1-CZ 2.81Å; D398-R401 IonicContact OD1-NE 3.17Å; D398-R401 IonicContact OD1-NH2 3.11Å; D398-R401 PolarHBondContact OD1-NH2 3.34Å; Y399-R401 VanDerWaalsContact C-N 3.34Å; R401-A404 PolarHBondContact O-N 2.85Å; R401-I405 PolarHBondContact O-N 3.35Å
402	L	97	Very high	96.2	Very high	7 Å²	7	15.4 Å²	15.4	4%	0.037	8%	0.078	C	C	.	.	H	α-helix	trans	-67.2	-43.7	178.7	-72	160.4	0	0	0	112	P209 D398 Y399 A404 I405 V406 F481	P209-L402 HydrophobicContact CB-CD2 4.12Å; D398-L402 WeakPolarHBondContact O-CG 3.38Å; D398-L402 PolarHBondContact O-N 2.81Å; Y399-L402 HydrophobicContact CD1-CB 4.41Å; Y399-L402 HydrophobicContact CD1-CD1 3.83Å; Y399-L402 HydrophobicContact CE1-CD1 3.75Å; Y399-L402 HydrophobicContact CG-CD1 4.28Å; Y399-L402 PolarHBondContact O-N 3.16Å; L402-A404 PolarHBondContact O-N 3.14Å; L402-I405 CarbonylContact O-C 3.6Å; L402-I405 WeakPolarHBondContact O-CA 3.41Å; L402-I405 WeakPolarHBondContact O-CB 3.44Å; L402-I405 PolarHBondContact O-N 2.74Å; L402-V406 WeakPolarHBondContact O-CG2 3.43Å; L402-V406 PolarHBondContact O-N 2.96Å; L402-F481 HydrophobicContact CB-CE2 3.67Å; L402-F481 HydrophobicContact CB-CZ 4.24Å; L402-F481 HydrophobicContact CD1-CE2 4.31Å; L402-F481 HydrophobicContact CG-CE2 4.46Å
403	L	97.8	Very high	96.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-59.4	-35.8	175.4	-71.8	167	0	0	0	112.1	V316 E319 E320 L323 Y399 I405 V406 R407 F481	V316-L403 HydrophobicContact CG1-CD2 3.99Å; V316-L403 HydrophobicContact CG2-CD2 4.43Å; E319-L403 HydrophobicContact CB-CD1 4.3Å; E319-L403 HydrophobicContact CG-CD1 3.94Å; E319-L403 WeakPolarHBondContact OE2-CD2 3.2Å; E320-L403 HydrophobicContact CB-CB 4.22Å; E320-L403 HydrophobicContact CB-CD1 4.11Å; E320-L403 HydrophobicContact CG-CB 4.13Å; E320-L403 HydrophobicContact CG-CD1 4.48Å; L323-L403 HydrophobicContact CD1-CD1 3.75Å; Y399-L403 WeakPolarHBondContact O-CB 3.29Å; Y399-L403 VanDerWaalsContact O-CG 3.26Å; Y399-L403 WeakPolarHBondContact O-CG 3.47Å; Y399-L403 PolarHBondContact O-N 3.13Å; L403-I405 VanDerWaalsContact C-N 3.32Å; L403-I405 PolarHBondContact O-N 2.92Å; L403-V406 WeakPolarHBondContact O-CB 3.37Å; L403-V406 PolarHBondContact O-N 3.06Å; L403-R407 WeakPolarHBondContact O-CG 3.32Å; L403-R407 PolarHBondContact O-N 2.87Å; L403-F481 HydrophobicContact CD2-CE1 3.73Å; L403-F481 HydrophobicContact CD2-CZ 3.86Å; L403-F481 HydrophobicContact CG-CZ 4.19Å
404	A	95.8	Very high	95.9	Very high	9 Å²	9	16.3 Å²	16.3	7%	0.074	8%	0.082	C	C	.	.	H	α-helix	trans	-63.7	-35	171.9	0	0	0	0	0	112.6	F288 I400 R401 L402 A408	F288-A404 HydrophobicContact CE1-CB 4.15Å; F288-A404 WeakPolarHBondContact CE1-O 3.29Å; F288-A404 HydrophobicContact CE2-CB 3.98Å; F288-A404 HydrophobicContact CZ-CB 3.62Å; F288-A404 WeakPolarHBondContact CZ-O 3.2Å; I400-A404 PolarHBondContact O-N 3.44Å; R401-A404 PolarHBondContact O-N 2.85Å; L402-A404 PolarHBondContact O-N 3.14Å; A404-A408 PolarHBondContact O-N 2.67Å
405	I	96.3	Very high	95.9	Very high	11 Å²	11	19.6 Å²	19.6	6%	0.056	10%	0.096	C	C	.	.	H	α-helix	trans	-71.3	-36.5	171.2	-56	-54.9	0	0	0	111.7	I207 P210 F288 R401 L402 L403 R407 A408 A409	I207-I405 HydrophobicContact CG2-CB 4.42Å; I207-I405 HydrophobicContact CG2-CG2 3.97Å; P210-I405 HydrophobicContact CB-CD1 4.42Å; P210-I405 HydrophobicContact CB-CG1 4.26Å; P210-I405 HydrophobicContact CG-CG1 3.92Å; F288-I405 HydrophobicContact CZ-CD1 4.42Å; R401-I405 PolarHBondContact O-N 3.35Å; L402-I405 CarbonylContact O-C 3.6Å; L402-I405 WeakPolarHBondContact O-CA 3.41Å; L402-I405 WeakPolarHBondContact O-CB 3.44Å; L402-I405 PolarHBondContact O-N 2.74Å; L403-I405 VanDerWaalsContact C-N 3.32Å; L403-I405 PolarHBondContact O-N 2.92Å; I405-R407 PolarHBondContact O-N 3.48Å; I405-A408 WeakPolarHBondContact O-CB 3.39Å; I405-A408 PolarHBondContact O-N 2.65Å; I405-A408 VanDerWaalsContact O-N 3.15Å; I405-A409 PolarHBondContact O-N 2.65Å
406	V	97.8	Very high	95.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-55.6	-53.5	172	179.6	0	0	0	0	109.3	I207 V316 L402 L403 A408 A409 F410 V478 F481	I207-V406 HydrophobicContact CD1-CG2 3.96Å; I207-V406 HydrophobicContact CG2-CG2 4.42Å; V316-V406 HydrophobicContact CG1-CB 4.31Å; V316-V406 HydrophobicContact CG1-CG1 4.11Å; V316-V406 HydrophobicContact CG2-CG1 3.96Å; L402-V406 WeakPolarHBondContact O-CG2 3.43Å; L402-V406 PolarHBondContact O-N 2.96Å; L403-V406 WeakPolarHBondContact O-CB 3.37Å; L403-V406 PolarHBondContact O-N 3.06Å; V406-A408 VanDerWaalsContact C-N 3.28Å; V406-A408 PolarHBondContact O-N 2.8Å; V406-A409 WeakPolarHBondContact O-CA 2.94Å; V406-A409 VanDerWaalsContact O-CB 3.31Å; V406-A409 WeakPolarHBondContact O-CB 3.36Å; V406-A409 PolarHBondContact O-N 3.43Å; V406-F410 HydrophobicContact CG1-CD2 4.19Å; V406-F410 HydrophobicContact CG1-CE2 3.81Å; V406-F410 WeakPolarHBondContact O-CD2 3.43Å; V406-F410 PolarHBondContact O-N 3.37Å; V406-V478 HydrophobicContact CG1-CG2 4Å; V406-F481 HydrophobicContact CG2-CD1 3.73Å; V406-F481 HydrophobicContact CG2-CD2 4.42Å; V406-F481 HydrophobicContact CG2-CE1 3.7Å; V406-F481 HydrophobicContact CG2-CE2 4.4Å; V406-F481 HydrophobicContact CG2-CG 4.09Å; V406-F481 HydrophobicContact CG2-CZ 4.05Å
407	R	96.2	Very high	95.7	Very high	51 Å²	51	22 Å²	22	19%	0.192	11%	0.109	C	C	.	.	H	α-helix	trans	-56.3	-40.2	175.7	-66	179.7	67.2	-102.4	-4.3	112.4	L313 V316 E317 E320 L403 I405 A409 F410 D411	L313-R407 HydrophobicContact CD1-CG 4.22Å; V316-R407 HydrophobicContact CG1-CG 3.6Å; E317-R407 HydrophobicContact CG-CG 4.46Å; E317-R407 VanDerWaalsContact CG-NE 3.31Å; E317-R407 IonicContact OE1-CZ 3.39Å; E317-R407 IonicContact OE1-NE 2.78Å; E317-R407 PolarHBondContact OE1-NE 2.9Å; E317-R407 IonicContact OE1-NH2 3.9Å; E317-R407 PolarHBondContact OE1-NH2 2.94Å; E320-R407 VanDerWaalsContact OE2-CD 3.29Å; E320-R407 WeakPolarHBondContact OE2-CD 3.45Å; L403-R407 WeakPolarHBondContact O-CG 3.32Å; L403-R407 PolarHBondContact O-N 2.87Å; I405-R407 PolarHBondContact O-N 3.48Å; R407-A409 VanDerWaalsContact C-N 3.25Å; R407-A409 PolarHBondContact O-N 3.3Å; R407-F410 WeakPolarHBondContact O-CB 3.41Å; R407-F410 PolarHBondContact O-N 2.94Å; R407-D411 PolarHBondContact O-N 3.26Å
408	A	94.6	Very high	95.6	Very high	25 Å²	25	22 Å²	22	21%	0.207	11%	0.107	C	C	.	.	H	α-helix	trans	-62.1	-29	174.9	0	0	0	0	0	113.5	F288 A404 I405 V406 D411 Q412	F288-A408 HydrophobicContact CE1-CB 4.1Å; A404-A408 PolarHBondContact O-N 2.67Å; I405-A408 WeakPolarHBondContact O-CB 3.39Å; I405-A408 PolarHBondContact O-N 2.65Å; I405-A408 VanDerWaalsContact O-N 3.15Å; V406-A408 VanDerWaalsContact C-N 3.28Å; V406-A408 PolarHBondContact O-N 2.8Å; A408-D411 WeakPolarHBondContact O-CB 3.31Å; A408-D411 PolarHBondContact O-N 3.18Å; A408-Q412 WeakPolarHBondContact O-CG 3.39Å; A408-Q412 PolarHBondContact O-N 3.1Å; A408-Q412 VanDerWaalsContact O-N 3.16Å
409	A	96.4	Very high	95.6	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.033	13%	0.13	C	C	.	.	H	α-helix	trans	-72.1	-40.2	174.3	0	0	0	0	0	111.9	I207 I405 V406 R407 D411 Q412 R413 V474	I207-A409 HydrophobicContact CG1-CB 4.42Å; I405-A409 PolarHBondContact O-N 2.65Å; V406-A409 WeakPolarHBondContact O-CA 2.94Å; V406-A409 VanDerWaalsContact O-CB 3.31Å; V406-A409 WeakPolarHBondContact O-CB 3.36Å; V406-A409 PolarHBondContact O-N 3.43Å; R407-A409 VanDerWaalsContact C-N 3.25Å; R407-A409 PolarHBondContact O-N 3.3Å; A409-D411 VanDerWaalsContact C-N 3.32Å; A409-D411 PolarHBondContact O-N 3.37Å; A409-Q412 PolarHBondContact O-N 2.88Å; A409-R413 PolarHBondContact O-N 2.83Å; A409-R413 VanDerWaalsContact O-N 3.09Å; A409-V474 HydrophobicContact CB-CG1 4.42Å; A409-V474 HydrophobicContact CB-CG2 4.17Å
410	F	96	Very high	95.5	Very high	12 Å²	12	30.2 Å²	30.2	5%	0.053	14%	0.137	C	C	.	.	H	α-helix	trans	-59.6	-42.2	169.2	-76	-109.1	0	0	0	111	F309 K312 L313 V406 R407 Q412 R413 M414 V474 V478	F309-F410 HydrophobicContact CB-CE1 4.22Å; F309-F410 AromaticContact CD1-CD1 3.96Å; F309-F410 HydrophobicContact CD1-CD1 3.96Å; F309-F410 AromaticContact CD1-CE1 3.64Å; F309-F410 HydrophobicContact CD1-CE1 3.64Å; F309-F410 HydrophobicContact CD1-CZ 4.37Å; F309-F410 HydrophobicContact CG-CE1 4.38Å; F309-F410 WeakPolarHBondContact O-CE1 3.39Å; K312-F410 HydrophobicContact CB-CZ 4.16Å; K312-F410 HydrophobicContact CG-CZ 4.24Å; L313-F410 HydrophobicContact CB-CD1 3.94Å; L313-F410 HydrophobicContact CB-CE1 3.95Å; L313-F410 HydrophobicContact CD1-CB 4.24Å; L313-F410 HydrophobicContact CD1-CD1 4.24Å; L313-F410 HydrophobicContact CD1-CG 4.14Å; L313-F410 HydrophobicContact CG-CD1 4.46Å; V406-F410 HydrophobicContact CG1-CD2 4.19Å; V406-F410 HydrophobicContact CG1-CE2 3.81Å; V406-F410 WeakPolarHBondContact O-CD2 3.43Å; V406-F410 PolarHBondContact O-N 3.37Å; R407-F410 WeakPolarHBondContact O-CB 3.41Å; R407-F410 PolarHBondContact O-N 2.94Å; F410-Q412 VanDerWaalsContact C-N 3.3Å; F410-Q412 PolarHBondContact O-N 2.99Å; F410-R413 PolarHBondContact O-N 2.91Å; F410-M414 PolarHBondContact O-N 3.02Å; F410-V474 HydrophobicContact CD2-CG1 4.19Å; F410-V474 HydrophobicContact CE2-CG1 4.22Å; F410-V478 HydrophobicContact CE2-CG2 3.7Å; F410-V478 HydrophobicContact CZ-CG2 4.19Å
411	D	93.3	Very high	95.4	Very high	26 Å²	26	32.7 Å²	32.7	14%	0.139	15%	0.149	C	C	.	.	H	α-helix	trans	-58.9	-36.4	174.4	-76.8	-30.1	0	0	0	112.9	A291 R407 A408 A409 K415	A291-D411 WeakPolarHBondContact CB-OD2 3.48Å; R407-D411 PolarHBondContact O-N 3.26Å; A408-D411 WeakPolarHBondContact O-CB 3.31Å; A408-D411 PolarHBondContact O-N 3.18Å; A409-D411 VanDerWaalsContact C-N 3.32Å; A409-D411 PolarHBondContact O-N 3.37Å; D411-K415 VanDerWaalsContact O-CD 3.25Å; D411-K415 WeakPolarHBondContact O-CD 3.23Å; D411-K415 WeakPolarHBondContact O-CE 3.44Å; D411-K415 WeakPolarHBondContact O-CG 3.46Å; D411-K415 PolarHBondContact O-N 3.5Å
412	Q	95.4	Very high	95.4	Very high	58 Å²	58	35 Å²	35	27%	0.271	16%	0.163	S	C	.	.	H	α-helix	trans	-71.4	-39.7	176.2	-59.3	-56	-9.1	0	0	111.7	A408 A409 F410 M414 K415 T416 I470	A408-Q412 WeakPolarHBondContact O-CG 3.39Å; A408-Q412 PolarHBondContact O-N 3.1Å; A408-Q412 VanDerWaalsContact O-N 3.16Å; A409-Q412 PolarHBondContact O-N 2.88Å; F410-Q412 VanDerWaalsContact C-N 3.3Å; F410-Q412 PolarHBondContact O-N 2.99Å; Q412-M414 VanDerWaalsContact C-N 3.33Å; Q412-M414 PolarHBondContact O-N 2.85Å; Q412-K415 PolarHBondContact O-N 3.38Å; Q412-K415 VanDerWaalsContact OE1-CD 3.31Å; Q412-T416 PolarHBondContact O-N 3.2Å; Q412-T416 PolarHBondContact O-OG1 3.5Å; Q412-T416 VanDerWaalsContact O-OG1 3.09Å; Q412-I470 HydrophobicContact CB-CD1 3.79Å
413	R	94.7	Very high	95.4	Very high	8 Å²	8	34.8 Å²	34.8	3%	0.03	16%	0.163	C	C	.	.	H	α-helix	trans	-58.5	-45.1	171.6	175.7	177.4	168.9	-86.8	5.3	111.3	E304 F309 A409 F410 K415 T416 W417 F467 I470 S471 V474	E304-R413 VanDerWaalsContact CD-NH2 3.33Å; E304-R413 IonicContact OE1-NH2 3.29Å; E304-R413 PolarHBondContact OE1-NH2 2.9Å; E304-R413 VanDerWaalsContact OE1-NH2 3.13Å; E304-R413 IonicContact OE2-CZ 2.79Å; E304-R413 IonicContact OE2-NH1 3.9Å; E304-R413 PolarHBondContact OE2-NH1 3.39Å; E304-R413 IonicContact OE2-NH2 3.2Å; E304-R413 PolarHBondContact OE2-NH2 3.39Å; F309-R413 VanDerWaalsContact CD2-CZ 3.4Å; F309-R413 VanDerWaalsContact CD2-NH2 3.26Å; A409-R413 PolarHBondContact O-N 2.83Å; A409-R413 VanDerWaalsContact O-N 3.09Å; F410-R413 PolarHBondContact O-N 2.91Å; R413-K415 PolarHBondContact O-N 3.48Å; R413-T416 PolarHBondContact O-N 3.35Å; R413-W417 PolarHBondContact O-N 2.94Å; R413-F467 HydrophobicContact CG-CD2 4.26Å; R413-F467 HydrophobicContact CG-CE2 3.73Å; R413-I470 HydrophobicContact CB-CG1 4.47Å; R413-I470 HydrophobicContact CB-CG2 4.31Å; R413-I470 HydrophobicContact CG-CG2 4.31Å; R413-S471 WeakPolarHBondContact CD-OG 3.37Å; R413-S471 PolarHBondContact NE-OG 2.9Å; R413-V474 HydrophobicContact CB-CG2 4.46Å
414	M	92.8	Very high	95.3	Very high	35 Å²	35	38.6 Å²	38.6	17%	0.172	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-41.3	177.7	179.7	53.7	-179.9	0	0	112.4	M302 F410 Q412 T416 W417 Q418	M302-M414 HydrophobicContact CB-CE 4.03Å; M302-M414 HydrophobicContact CB-SD 4.03Å; M302-M414 HydrophobicContact CG-SD 4.18Å; M302-M414 HydrophobicContact SD-SD 3.61Å; M302-M414 VanDerWaalsContact SD-SD 3.61Å; F410-M414 PolarHBondContact O-N 3.02Å; Q412-M414 VanDerWaalsContact C-N 3.33Å; Q412-M414 PolarHBondContact O-N 2.85Å; M414-T416 VanDerWaalsContact C-N 3.35Å; M414-T416 PolarHBondContact O-N 3.24Å; M414-W417 HydrophobicContact CE-CE3 3.93Å; M414-W417 HydrophobicContact CE-CZ3 3.95Å; M414-W417 PolarHBondContact O-N 3.44Å; M414-W417 HydrophobicContact SD-CD2 4.48Å; M414-W417 HydrophobicContact SD-CE3 3.72Å; M414-W417 HydrophobicContact SD-CZ3 4.31Å; M414-Q418 WeakPolarHBondContact O-CB 3.3Å; M414-Q418 PolarHBondContact O-N 3.07Å
415	K	94.7	Very high	95.3	Very high	87 Å²	87	40.2 Å²	40.2	38%	0.378	19%	0.194	S	C	.	.	H	α-helix	trans	-63.1	-39.5	174.5	-68.9	156.4	-159.1	150.8	0	112.3	D411 Q412 R413 Q418 R419	D411-K415 VanDerWaalsContact O-CD 3.25Å; D411-K415 WeakPolarHBondContact O-CD 3.23Å; D411-K415 WeakPolarHBondContact O-CE 3.44Å; D411-K415 WeakPolarHBondContact O-CG 3.46Å; D411-K415 PolarHBondContact O-N 3.5Å; Q412-K415 PolarHBondContact O-N 3.38Å; Q412-K415 VanDerWaalsContact OE1-CD 3.31Å; R413-K415 PolarHBondContact O-N 3.48Å; K415-Q418 PolarHBondContact O-N 3.31Å; K415-R419 WeakPolarHBondContact O-CB 3.3Å; K415-R419 PolarHBondContact O-N 3.05Å
416	T	95.2	Very high	95.4	Very high	29 Å²	29	41.7 Å²	41.7	18%	0.178	20%	0.204	C	C	.	.	H	α-helix	trans	-68.4	-40.3	176.6	-57.1	0	0	0	0	111.5	Q412 R413 M414 R419 W420 D466 F467 I470	Q412-T416 PolarHBondContact O-N 3.2Å; Q412-T416 PolarHBondContact O-OG1 3.5Å; Q412-T416 VanDerWaalsContact O-OG1 3.09Å; R413-T416 PolarHBondContact O-N 3.35Å; M414-T416 VanDerWaalsContact C-N 3.35Å; M414-T416 PolarHBondContact O-N 3.24Å; T416-R419 PolarHBondContact O-N 3.49Å; T416-W420 PolarHBondContact O-N 2.5Å; T416-W420 VanDerWaalsContact O-N 3.09Å; T416-D466 HydrophobicContact CG2-CB 4.16Å; T416-F467 HydrophobicContact CG2-CB 4.04Å; T416-I470 HydrophobicContact CG2-CG2 4.07Å
417	W	94.3	Very high	95.4	Very high	24 Å²	24	41.9 Å²	41.9	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-50.3	171.2	-179.2	82.6	0	0	0	111.9	I300 M302 R413 M414 R419 W420 Q421 F467	I300-W417 HydrophobicContact CG2-CH2 4.24Å; I300-W417 HydrophobicContact CG2-CZ3 4.04Å; M302-W417 HydrophobicContact CB-CE3 4.45Å; M302-W417 HydrophobicContact CB-CH2 4.22Å; M302-W417 HydrophobicContact CB-CZ3 4.17Å; M302-W417 HydrophobicContact CE-CB 4.12Å; M302-W417 VanDerWaalsContact CE-CD1 3.47Å; M302-W417 HydrophobicContact CE-CD2 3.85Å; M302-W417 HydrophobicContact CE-CG 3.55Å; M302-W417 HydrophobicContact CG-CD2 3.86Å; M302-W417 HydrophobicContact CG-CE3 3.96Å; M302-W417 HydrophobicContact CG-CH2 3.96Å; M302-W417 HydrophobicContact CG-CZ2 3.82Å; M302-W417 HydrophobicContact CG-CZ3 4.02Å; M302-W417 HydrophobicContact SD-CD2 4.09Å; M302-W417 HydrophobicContact SD-CE3 4.35Å; M302-W417 HydrophobicContact SD-CG 4.24Å; R413-W417 PolarHBondContact O-N 2.94Å; M414-W417 HydrophobicContact CE-CE3 3.93Å; M414-W417 HydrophobicContact CE-CZ3 3.95Å; M414-W417 PolarHBondContact O-N 3.44Å; M414-W417 HydrophobicContact SD-CD2 4.48Å; M414-W417 HydrophobicContact SD-CE3 3.72Å; M414-W417 HydrophobicContact SD-CZ3 4.31Å; W417-R419 VanDerWaalsContact C-N 3.31Å; W417-R419 PolarHBondContact O-N 2.85Å; W417-W420 AromaticContact CD1-CE3 3.91Å; W417-W420 WeakPolarHBondContact O-CA 3.34Å; W417-W420 WeakPolarHBondContact O-CB 3.39Å; W417-W420 PolarHBondContact O-N 3.4Å; W417-Q421 HydrophobicContact CD2-CG 3.78Å; W417-Q421 VanDerWaalsContact CE2-CG 3.47Å; W417-Q421 HydrophobicContact CE3-CG 4.04Å; W417-Q421 HydrophobicContact CG-CG 4.45Å; W417-Q421 HydrophobicContact CH2-CG 3.77Å; W417-Q421 HydrophobicContact CZ2-CG 3.5Å; W417-Q421 HydrophobicContact CZ3-CG 4.03Å; W417-Q421 WeakPolarHBondContact O-CG 3.45Å; W417-Q421 PolarHBondContact O-N 3.44Å; W417-F467 HydrophobicContact CB-CD2 3.72Å; W417-F467 HydrophobicContact CB-CE2 3.6Å; W417-F467 HydrophobicContact CB-CZ 4.31Å; W417-F467 AromaticContact CD1-CE1 3.96Å; W417-F467 AromaticContact CD1-CE2 3.86Å; W417-F467 AromaticContact CD1-CZ 3.67Å; W417-F467 HydrophobicContact CG-CD2 4.46Å; W417-F467 HydrophobicContact CG-CE2 4.11Å; W417-F467 HydrophobicContact CG-CZ 4.34Å
418	Q	93.5	Very high	95.4	Very high	15 Å²	15	43.8 Å²	43.8	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-58.2	-44.4	179.8	-177.2	56.5	51.7	0	0	111.2	M414 K415 W420 Q421 D422	M414-Q418 WeakPolarHBondContact O-CB 3.3Å; M414-Q418 PolarHBondContact O-N 3.07Å; K415-Q418 PolarHBondContact O-N 3.31Å; Q418-W420 VanDerWaalsContact C-N 3.3Å; Q418-W420 PolarHBondContact O-N 2.72Å; Q418-Q421 PolarHBondContact O-N 2.95Å; Q418-D422 PolarHBondContact NE2-OD1 2.87Å; Q418-D422 PolarHBondContact NE2-OD2 3.43Å; Q418-D422 WeakPolarHBondContact O-CB 3.44Å; Q418-D422 PolarHBondContact O-N 3.11Å
419	R	95.6	Very high	95.6	Very high	139 Å²	139	49 Å²	49	53%	0.525	23%	0.234	S	C	.	.	H	α-helix	trans	-59.2	-36.9	174.9	-177.5	-179.9	179.7	-179.4	-0.6	113.1	K415 T416 W417 A423 Y463	K415-R419 WeakPolarHBondContact O-CB 3.3Å; K415-R419 PolarHBondContact O-N 3.05Å; T416-R419 PolarHBondContact O-N 3.49Å; W417-R419 VanDerWaalsContact C-N 3.31Å; W417-R419 PolarHBondContact O-N 2.85Å; R419-A423 PolarHBondContact O-N 3.36Å; R419-Y463 HydrophobicContact CG-CD2 3.88Å; R419-Y463 HydrophobicContact CG-CE2 3.79Å; R419-Y463 HydrophobicContact CG-CG 4.3Å; R419-Y463 VanDerWaalsContact NE-CE1 3.31Å; R419-Y463 PolarHBondContact NE-OH 2.93Å; R419-Y463 VanDerWaalsContact NH2-CE1 3.29Å; R419-Y463 PolarHBondContact NH2-OH 2.86Å; R419-Y463 WeakPolarHBondContact O-CD2 3.44Å
420	W	95.6	Very high	95.6	Very high	47 Å²	47	51.7 Å²	51.7	18%	0.178	25%	0.245	C	C	.	.	H	α-helix	trans	-69.2	-45.3	173.7	173.9	46.1	0	0	0	111.9	T416 W417 Q418 D422 A423 Q424 E464 F467	T416-W420 PolarHBondContact O-N 2.5Å; T416-W420 VanDerWaalsContact O-N 3.09Å; W417-W420 AromaticContact CD1-CE3 3.91Å; W417-W420 WeakPolarHBondContact O-CA 3.34Å; W417-W420 WeakPolarHBondContact O-CB 3.39Å; W417-W420 PolarHBondContact O-N 3.4Å; Q418-W420 VanDerWaalsContact C-N 3.3Å; Q418-W420 PolarHBondContact O-N 2.72Å; W420-D422 PolarHBondContact O-N 2.76Å; W420-A423 PolarHBondContact O-N 3.12Å; W420-Q424 PolarHBondContact O-N 3.18Å; W420-E464 HydrophobicContact CZ2-CB 4.2Å; W420-E464 HydrophobicContact CZ2-CG 3.77Å; W420-F467 HydrophobicContact CE3-CB 4.45Å; W420-F467 AromaticContact CE3-CD1 3.79Å; W420-F467 HydrophobicContact CE3-CD1 3.79Å; W420-F467 HydrophobicContact CE3-CE1 4.36Å; W420-F467 HydrophobicContact CE3-CG 4.21Å; W420-F467 AromaticContact CZ3-CD1 3.68Å; W420-F467 HydrophobicContact CZ3-CD1 3.68Å; W420-F467 AromaticContact CZ3-CE1 3.94Å; W420-F467 HydrophobicContact CZ3-CE1 3.94Å
421	Q	94.2	Very high	95.6	Very high	63 Å²	63	55.9 Å²	55.9	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-40.3	177.2	-63.1	-52.7	-42.7	0	0	112.9	W417 Q418 A423 Q424 A425	W417-Q421 HydrophobicContact CD2-CG 3.78Å; W417-Q421 VanDerWaalsContact CE2-CG 3.47Å; W417-Q421 HydrophobicContact CE3-CG 4.04Å; W417-Q421 HydrophobicContact CG-CG 4.45Å; W417-Q421 HydrophobicContact CH2-CG 3.77Å; W417-Q421 HydrophobicContact CZ2-CG 3.5Å; W417-Q421 HydrophobicContact CZ3-CG 4.03Å; W417-Q421 WeakPolarHBondContact O-CG 3.45Å; W417-Q421 PolarHBondContact O-N 3.44Å; Q418-Q421 PolarHBondContact O-N 2.95Å; Q421-A423 VanDerWaalsContact C-N 3.3Å; Q421-A423 PolarHBondContact O-N 3.06Å; Q421-Q424 PolarHBondContact O-N 2.87Å; Q421-A425 WeakPolarHBondContact O-CB 3.2Å; Q421-A425 PolarHBondContact O-N 3.14Å
422	D	95.5	Very high	95.7	Very high	84 Å²	84	58 Å²	58	45%	0.449	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-36.8	176	-73.1	-37.6	0	0	0	111.9	Q418 W420 T426	Q418-D422 PolarHBondContact NE2-OD1 2.87Å; Q418-D422 PolarHBondContact NE2-OD2 3.43Å; Q418-D422 WeakPolarHBondContact O-CB 3.44Å; Q418-D422 PolarHBondContact O-N 3.11Å; W420-D422 PolarHBondContact O-N 2.76Å; D422-T426 WeakPolarHBondContact O-CB 3.47Å; D422-T426 PolarHBondContact O-N 2.92Å; D422-T426 PolarHBondContact O-OG1 3.28Å
423	A	97.3	Very high	95.7	Very high	3 Å²	3	57 Å²	57	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-68.1	-42.1	172.5	0	0	0	0	0	112.1	R419 W420 Q421 T426 L427 W456 V460 Y463	R419-A423 PolarHBondContact O-N 3.36Å; W420-A423 PolarHBondContact O-N 3.12Å; Q421-A423 VanDerWaalsContact C-N 3.3Å; Q421-A423 PolarHBondContact O-N 3.06Å; A423-T426 WeakPolarHBondContact O-CB 3.49Å; A423-T426 PolarHBondContact O-N 2.86Å; A423-T426 VanDerWaalsContact O-N 3.17Å; A423-L427 WeakPolarHBondContact O-CB 3.37Å; A423-L427 PolarHBondContact O-N 3.26Å; A423-W456 HydrophobicContact CB-CE3 4.19Å; A423-W456 HydrophobicContact CB-CZ3 3.89Å; A423-V460 HydrophobicContact CB-CG2 3.96Å; A423-Y463 HydrophobicContact CB-CD2 3.63Å; A423-Y463 HydrophobicContact CB-CE2 3.9Å
424	Q	96.1	Very high	95.7	Very high	80 Å²	80	58.4 Å²	58.4	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-64.5	-43.4	177.5	-178.7	67.4	-19.7	0	0	111.9	W420 Q421 T426 L427 Q428 V460	W420-Q424 PolarHBondContact O-N 3.18Å; Q421-Q424 PolarHBondContact O-N 2.87Å; Q424-T426 VanDerWaalsContact C-N 3.26Å; Q424-T426 PolarHBondContact O-N 2.96Å; Q424-L427 PolarHBondContact O-N 2.8Å; Q424-Q428 WeakPolarHBondContact O-CB 3.34Å; Q424-Q428 PolarHBondContact O-N 3.33Å; Q424-V460 HydrophobicContact CB-CG2 4.4Å
425	A	96	Very high	95.7	Very high	43 Å²	43	58.8 Å²	58.8	36%	0.355	29%	0.286	S	S	.	.	H	α-helix	trans	-65.2	-29.1	173.5	0	0	0	0	0	112.5	Q421 K429	Q421-A425 WeakPolarHBondContact O-CB 3.2Å; Q421-A425 PolarHBondContact O-N 3.14Å; A425-K429 WeakPolarHBondContact O-CD 3.47Å; A425-K429 VanDerWaalsContact O-CG 3.25Å; A425-K429 WeakPolarHBondContact O-CG 3.47Å; A425-K429 PolarHBondContact O-N 2.96Å
426	T	97.7	Very high	95.6	Very high	43 Å²	43	62 Å²	62	26%	0.264	30%	0.296	S	S	.	.	H	α-helix	trans	-74.9	-44.7	174	-60.3	0	0	0	0	111.6	D422 A423 Q424 Q428 K429 K430 W456	D422-T426 WeakPolarHBondContact O-CB 3.47Å; D422-T426 PolarHBondContact O-N 2.92Å; D422-T426 PolarHBondContact O-OG1 3.28Å; A423-T426 WeakPolarHBondContact O-CB 3.49Å; A423-T426 PolarHBondContact O-N 2.86Å; A423-T426 VanDerWaalsContact O-N 3.17Å; Q424-T426 VanDerWaalsContact C-N 3.26Å; Q424-T426 PolarHBondContact O-N 2.96Å; T426-Q428 VanDerWaalsContact C-N 3.33Å; T426-Q428 PolarHBondContact O-N 3.27Å; T426-K429 WeakPolarHBondContact O-CB 3.24Å; T426-K429 PolarHBondContact O-N 3.2Å; T426-K430 WeakPolarHBondContact O-CG 3.45Å; T426-K430 PolarHBondContact O-N 2.93Å; T426-W456 HydrophobicContact CG2-CD2 3.86Å; T426-W456 HydrophobicContact CG2-CE3 3.97Å; T426-W456 HydrophobicContact CG2-CH2 3.86Å; T426-W456 HydrophobicContact CG2-CZ2 3.74Å; T426-W456 HydrophobicContact CG2-CZ3 3.98Å
427	L	97.8	Very high	95.6	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-57	-44.7	173.4	173.1	57.1	0	0	0	111.6	A423 Q424 K429 K430 R431 I453 W456 E457 V460	A423-L427 WeakPolarHBondContact O-CB 3.37Å; A423-L427 PolarHBondContact O-N 3.26Å; Q424-L427 PolarHBondContact O-N 2.8Å; L427-K429 VanDerWaalsContact C-N 3.35Å; L427-K429 PolarHBondContact O-N 3.29Å; L427-K430 WeakPolarHBondContact O-CB 3.2Å; L427-K430 PolarHBondContact O-N 3.47Å; L427-K430 VanDerWaalsContact O-N 3.09Å; L427-R431 HydrophobicContact CD1-CG 4.26Å; L427-R431 PolarHBondContact O-N 3.23Å; L427-I453 HydrophobicContact CD1-CG2 4.09Å; L427-W456 HydrophobicContact CB-CB 4.17Å; L427-W456 HydrophobicContact CD1-CB 3.95Å; L427-E457 HydrophobicContact CD1-CG 3.71Å; L427-E457 HydrophobicContact CD2-CG 3.71Å; L427-E457 HydrophobicContact CG-CG 4.38Å; L427-V460 HydrophobicContact CB-CG2 4.18Å; L427-V460 HydrophobicContact CD2-CB 4.37Å; L427-V460 HydrophobicContact CD2-CG2 3.9Å
428	Q	97.1	Very high	95.4	Very high	91 Å²	91	65.5 Å²	65.5	43%	0.425	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-44.2	176	177.1	54.5	28.2	0	0	111.9	Q424 T426 K430 R431 E432	Q424-Q428 WeakPolarHBondContact O-CB 3.34Å; Q424-Q428 PolarHBondContact O-N 3.33Å; T426-Q428 VanDerWaalsContact C-N 3.33Å; T426-Q428 PolarHBondContact O-N 3.27Å; Q428-K430 VanDerWaalsContact C-N 3.29Å; Q428-K430 PolarHBondContact O-N 3.47Å; Q428-R431 PolarHBondContact O-N 3.46Å; Q428-E432 PolarHBondContact NE2-OE1 3.15Å; Q428-E432 PolarHBondContact O-N 3Å
429	K	97.8	Very high	95.3	Very high	135 Å²	135	76.2 Å²	76.2	59%	0.587	36%	0.355	S	S	*	.	H	α-helix	trans	-63	-32.6	174.7	-69.2	162.7	-170.3	166.8	0	112.7	A425 T426 L427 A433	A425-K429 WeakPolarHBondContact O-CD 3.47Å; A425-K429 VanDerWaalsContact O-CG 3.25Å; A425-K429 WeakPolarHBondContact O-CG 3.47Å; A425-K429 PolarHBondContact O-N 2.96Å; T426-K429 WeakPolarHBondContact O-CB 3.24Å; T426-K429 PolarHBondContact O-N 3.2Å; L427-K429 VanDerWaalsContact C-N 3.35Å; L427-K429 PolarHBondContact O-N 3.29Å; K429-A433 WeakPolarHBondContact O-CB 3.24Å; K429-A433 PolarHBondContact O-N 3.1Å; K429-A433 VanDerWaalsContact O-N 3.07Å
430	K	97.3	Very high	95.2	Very high	60 Å²	60	72.1 Å²	72.1	26%	0.261	35%	0.351	S	S	.	.	H	α-helix	trans	-69.2	-46	174.1	-66.5	-71	-175.6	175.2	0	111.7	T426 L427 Q428 E432 A433 E434 E452 I453	T426-K430 WeakPolarHBondContact O-CG 3.45Å; T426-K430 PolarHBondContact O-N 2.93Å; L427-K430 WeakPolarHBondContact O-CB 3.2Å; L427-K430 PolarHBondContact O-N 3.47Å; L427-K430 VanDerWaalsContact O-N 3.09Å; Q428-K430 VanDerWaalsContact C-N 3.29Å; Q428-K430 PolarHBondContact O-N 3.47Å; K430-E432 VanDerWaalsContact C-N 3.33Å; K430-E432 PolarHBondContact O-N 3.47Å; K430-A433 WeakPolarHBondContact O-CA 3.46Å; K430-A433 WeakPolarHBondContact O-CB 3.44Å; K430-A433 PolarHBondContact O-N 3.13Å; K430-E434 PolarHBondContact O-N 2.82Å; K430-E452 HydrophobicContact CD-CB 4.43Å; K430-E452 IonicContact NZ-OE2 3.25Å; K430-E452 PolarHBondContact NZ-OE2 2.95Å; K430-I453 HydrophobicContact CB-CG1 3.79Å
431	R	96.4	Very high	94.9	Very high	100 Å²	100	76.4 Å²	76.4	38%	0.377	38%	0.377	S	S	.	.	H	α-helix	trans	-59.3	-40.7	174.2	-70.9	173.6	173.2	170.2	-4.7	112.3	L427 Q428 A433 E434 A435 I453 E457	L427-R431 HydrophobicContact CD1-CG 4.26Å; L427-R431 PolarHBondContact O-N 3.23Å; Q428-R431 PolarHBondContact O-N 3.46Å; R431-A433 VanDerWaalsContact C-N 3.34Å; R431-A433 PolarHBondContact O-N 2.92Å; R431-E434 PolarHBondContact O-N 2.93Å; R431-A435 PolarHBondContact O-N 3.33Å; R431-I453 HydrophobicContact CB-CD1 4.49Å; R431-I453 HydrophobicContact CG-CD1 4.02Å; R431-I453 HydrophobicContact CG-CG1 4.23Å; R431-I453 HydrophobicContact CG-CG2 4.34Å; R431-E457 IonicContact CZ-OE1 2.92Å; R431-E457 IonicContact NE-OE1 3.53Å; R431-E457 PolarHBondContact NE-OE1 3.43Å; R431-E457 IonicContact NH2-OE1 2.74Å; R431-E457 PolarHBondContact NH2-OE1 3.01Å
432	E	95.8	Very high	94.7	Very high	70 Å²	70	79.1 Å²	79.1	33%	0.327	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-35.4	171.5	-76.1	175.2	-146.7	0	0	113.6	Q428 K430 R436	Q428-E432 PolarHBondContact NE2-OE1 3.15Å; Q428-E432 PolarHBondContact O-N 3Å; K430-E432 VanDerWaalsContact C-N 3.33Å; K430-E432 PolarHBondContact O-N 3.47Å; E432-R436 WeakPolarHBondContact O-CD 3.27Å; E432-R436 VanDerWaalsContact O-CG 3.23Å; E432-R436 WeakPolarHBondContact O-CG 3.27Å; E432-R436 PolarHBondContact O-N 3.24Å; E432-R436 IonicContact OE2-CZ 3.43Å; E432-R436 IonicContact OE2-NH1 3.37Å; E432-R436 IonicContact OE2-NH2 2.67Å; E432-R436 PolarHBondContact OE2-NH2 3.21Å
433	A	94.2	Very high	94.2	Very high	38 Å²	38	79 Å²	79	31%	0.314	39%	0.392	S	S	.	.	H	α-helix	trans	-68.9	-40.7	175.7	0	0	0	0	0	111.7	K429 K430 R431 R436 L437	K429-A433 WeakPolarHBondContact O-CB 3.24Å; K429-A433 PolarHBondContact O-N 3.1Å; K429-A433 VanDerWaalsContact O-N 3.07Å; K430-A433 WeakPolarHBondContact O-CA 3.46Å; K430-A433 WeakPolarHBondContact O-CB 3.44Å; K430-A433 PolarHBondContact O-N 3.13Å; R431-A433 VanDerWaalsContact C-N 3.34Å; R431-A433 PolarHBondContact O-N 2.92Å; A433-R436 PolarHBondContact O-N 3.3Å; A433-L437 WeakPolarHBondContact O-CG 3.46Å; A433-L437 PolarHBondContact O-N 3.05Å
434	E	93.9	Very high	93.7	Very high	37 Å²	37	86 Å²	86	17%	0.173	43%	0.429	C	S	.	.	H	α-helix	trans	-60.3	-48.3	171.9	-166.1	-156.2	170.4	0	0	111.1	K430 R431 R436 L437 L438 L446 A449 K450 I453	K430-E434 PolarHBondContact O-N 2.82Å; R431-E434 PolarHBondContact O-N 2.93Å; E434-R436 VanDerWaalsContact C-N 3.28Å; E434-R436 PolarHBondContact O-N 3.23Å; E434-L437 WeakPolarHBondContact O-CA 3.26Å; E434-L437 WeakPolarHBondContact O-CB 3.47Å; E434-L437 PolarHBondContact O-N 3.44Å; E434-L438 HydrophobicContact CG-CD1 4.34Å; E434-L438 WeakPolarHBondContact O-CG 3.47Å; E434-L438 PolarHBondContact O-N 3.41Å; E434-L446 HydrophobicContact CG-CD1 3.55Å; E434-A449 HydrophobicContact CB-CB 4.17Å; E434-A449 HydrophobicContact CG-CB 4.17Å; E434-K450 HydrophobicContact CG-CG 4.47Å; E434-K450 WeakPolarHBondContact OE1-CE 3.42Å; E434-K450 WeakPolarHBondContact OE1-CG 3.43Å; E434-K450 IonicContact OE1-NZ 3.97Å; E434-I453 HydrophobicContact CB-CD1 3.69Å; E434-I453 HydrophobicContact CG-CD1 4.27Å; E434-I453 VanDerWaalsContact OE2-CD1 3.31Å; E434-I453 WeakPolarHBondContact OE2-CD1 3.47Å
435	A	93.4	Very high	93.5	Very high	42 Å²	42	88.3 Å²	88.3	35%	0.347	44%	0.438	S	S	.	.	H	α-helix	trans	-56.2	-41.9	176.6	0	0	0	0	0	112.2	R431 L438 W439	R431-A435 PolarHBondContact O-N 3.33Å; A435-L438 PolarHBondContact O-N 3.37Å; A435-W439 PolarHBondContact O-N 3.07Å
436	R	93.7	Very high	93.3	Very high	155 Å²	155	87.8 Å²	87.8	59%	0.585	43%	0.429	S	S	*	.	H	α-helix	trans	-66.6	-34.8	174.6	-69.9	166.3	-168.5	139.3	13.1	112.7	E432 A433 E434 A440	E432-R436 WeakPolarHBondContact O-CD 3.27Å; E432-R436 VanDerWaalsContact O-CG 3.23Å; E432-R436 WeakPolarHBondContact O-CG 3.27Å; E432-R436 PolarHBondContact O-N 3.24Å; E432-R436 IonicContact OE2-CZ 3.43Å; E432-R436 IonicContact OE2-NH1 3.37Å; E432-R436 IonicContact OE2-NH2 2.67Å; E432-R436 PolarHBondContact OE2-NH2 3.21Å; A433-R436 PolarHBondContact O-N 3.3Å; E434-R436 VanDerWaalsContact C-N 3.28Å; E434-R436 PolarHBondContact O-N 3.23Å; R436-A440 WeakPolarHBondContact O-CB 3.23Å; R436-A440 PolarHBondContact O-N 3.42Å
437	L	93.6	Very high	93	Very high	38 Å²	38	91.1 Å²	91.1	20%	0.199	44%	0.441	C	S	.	.	H	α-helix	trans	-71.8	-36.9	175.8	-72.9	170.2	0	0	0	112.8	A433 E434 A440 N441 K442 K445 A449	A433-L437 WeakPolarHBondContact O-CG 3.46Å; A433-L437 PolarHBondContact O-N 3.05Å; E434-L437 WeakPolarHBondContact O-CA 3.26Å; E434-L437 WeakPolarHBondContact O-CB 3.47Å; E434-L437 PolarHBondContact O-N 3.44Å; L437-A440 PolarHBondContact O-N 3.2Å; L437-N441 PolarHBondContact O-N 3.05Å; L437-K442 HydrophobicContact CD2-CB 4.21Å; L437-K442 PolarHBondContact O-N 3.43Å; L437-K442 VanDerWaalsContact O-N 3.11Å; L437-K445 HydrophobicContact CD1-CB 4.08Å; L437-K445 HydrophobicContact CD2-CB 4.11Å; L437-A449 HydrophobicContact CD1-CB 3.84Å
438	L	91.3	Very high	92.8	Very high	88 Å²	88	96.2 Å²	96.2	46%	0.461	47%	0.465	S	S	.	.	H	α-helix	trans	-60.6	-52.1	170.7	-74.1	167	0	0	0	110.8	E434 A435 A440 N441 L446	E434-L438 HydrophobicContact CG-CD1 4.34Å; E434-L438 WeakPolarHBondContact O-CG 3.47Å; E434-L438 PolarHBondContact O-N 3.41Å; A435-L438 PolarHBondContact O-N 3.37Å; L438-A440 VanDerWaalsContact C-N 3.29Å; L438-A440 PolarHBondContact O-N 2.75Å; L438-N441 PolarHBondContact O-N 3.37Å; L438-L446 HydrophobicContact CD1-CD1 4.43Å; L438-L446 HydrophobicContact CD2-CD1 3.61Å; L438-L446 HydrophobicContact CD2-CD2 3.59Å; L438-L446 HydrophobicContact CD2-CG 4.26Å; L438-L446 HydrophobicContact CG-CD1 3.67Å
439	W	91.5	Very high	92.6	Very high	240 Å²	240	92.3 Å²	92.3	91%	0.909	45%	0.449	S	S	*	.	H	α-helix	trans	-64.5	-32.1	178.9	-76.6	45.3	0	0	0	112.7	A435 N441	A435-W439 PolarHBondContact O-N 3.07Å; W439-N441 VanDerWaalsContact C-N 3.26Å; W439-N441 PolarHBondContact O-N 2.92Å
440	A	92.6	Very high	92.5	Very high	54 Å²	54	89.7 Å²	89.7	45%	0.446	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-0.4	174.7	0	0	0	0	0	114.3	R436 L437 L438 K442	R436-A440 WeakPolarHBondContact O-CB 3.23Å; R436-A440 PolarHBondContact O-N 3.42Å; L437-A440 PolarHBondContact O-N 3.2Å; L438-A440 VanDerWaalsContact C-N 3.29Å; L438-A440 PolarHBondContact O-N 2.75Å; A440-K442 HydrophobicContact CB-CD 4.35Å; A440-K442 HydrophobicContact CB-CG 4.27Å; A440-K442 PolarHBondContact O-N 3.16Å
441	N	89.9	Confident	92.4	Very high	137 Å²	137	90.7 Å²	90.7	73%	0.733	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	52.9	-177.7	-166.9	30.1	0	0	0	113.9	L437 L438 W439 P443	L437-N441 PolarHBondContact O-N 3.05Å; L438-N441 PolarHBondContact O-N 3.37Å; W439-N441 VanDerWaalsContact C-N 3.26Å; W439-N441 PolarHBondContact O-N 2.92Å; N441-P443 VanDerWaalsContact O-CD 3.27Å; N441-P443 WeakPolarHBondContact O-CD 3.25Å
442	K	89.3	Confident	92.3	Very high	120 Å²	120	88.4 Å²	88.4	52%	0.522	44%	0.439	S	S	.	.			trans	-114.1	76.8	-178.9	-66	-173.1	-179.4	179	0	112	L437 A440 D444 K445 L446	L437-K442 HydrophobicContact CD2-CB 4.21Å; L437-K442 PolarHBondContact O-N 3.43Å; L437-K442 VanDerWaalsContact O-N 3.11Å; A440-K442 HydrophobicContact CB-CD 4.35Å; A440-K442 HydrophobicContact CB-CG 4.27Å; A440-K442 PolarHBondContact O-N 3.16Å; K442-D444 VanDerWaalsContact C-N 3.33Å; K442-D444 PolarHBondContact O-N 3.38Å; K442-K445 PolarHBondContact O-N 2.73Å; K442-L446 PolarHBondContact O-N 3.29Å
443	P	86.1	Confident	92.4	Very high	80 Å²	80	85.6 Å²	85.6	52%	0.519	43%	0.426	S	S	.	.	H	α-helix	trans	-61.5	-36.6	-172.1	25	-34.9	0	0	0	113.5	N441 K445 L446	N441-P443 VanDerWaalsContact O-CD 3.27Å; N441-P443 WeakPolarHBondContact O-CD 3.25Å; P443-K445 PolarHBondContact O-N 3.02Å; P443-K445 VanDerWaalsContact O-N 3.09Å; P443-L446 VanDerWaalsContact O-CB 3.26Å; P443-L446 WeakPolarHBondContact O-CB 3.34Å; P443-L446 PolarHBondContact O-N 2.95Å
444	D	87.1	Confident	92.6	Very high	152 Å²	152	88.8 Å²	88.8	81%	0.813	44%	0.437	S	S	*	.	H	α-helix	trans	-60.4	-26.7	-176	-40.7	-47	0	0	0	113.3	K442	K442-D444 VanDerWaalsContact C-N 3.33Å; K442-D444 PolarHBondContact O-N 3.38Å
445	K	91.2	Very high	92.7	Very high	128 Å²	128	91.2 Å²	91.2	56%	0.557	45%	0.449	S	S	*	.	H	α-helix	trans	-98.7	-8.7	177.1	-60.6	-159.6	175.1	-156.1	0	113.5	L437 K442 P443 A449	L437-K445 HydrophobicContact CD1-CB 4.08Å; L437-K445 HydrophobicContact CD2-CB 4.11Å; K442-K445 PolarHBondContact O-N 2.73Å; P443-K445 PolarHBondContact O-N 3.02Å; P443-K445 VanDerWaalsContact O-N 3.09Å; K445-A449 PolarHBondContact O-N 2.87Å; K445-A449 VanDerWaalsContact O-N 3.14Å
446	L	92.1	Very high	93	Very high	32 Å²	32	91.6 Å²	91.6	17%	0.168	44%	0.441	C	S	.	.	H	α-helix	trans	-70	-38.9	-176.7	-176.9	63.6	0	0	0	111.7	E434 L438 K442 P443 A449 K450	E434-L446 HydrophobicContact CG-CD1 3.55Å; L438-L446 HydrophobicContact CD1-CD1 4.43Å; L438-L446 HydrophobicContact CD2-CD1 3.61Å; L438-L446 HydrophobicContact CD2-CD2 3.59Å; L438-L446 HydrophobicContact CD2-CG 4.26Å; L438-L446 HydrophobicContact CG-CD1 3.67Å; K442-L446 PolarHBondContact O-N 3.29Å; P443-L446 VanDerWaalsContact O-CB 3.26Å; P443-L446 WeakPolarHBondContact O-CB 3.34Å; P443-L446 PolarHBondContact O-N 2.95Å; L446-A449 PolarHBondContact O-N 3.12Å; L446-K450 HydrophobicContact CG-CD 4.49Å; L446-K450 WeakPolarHBondContact O-CG 3.47Å; L446-K450 PolarHBondContact O-N 3.43Å; L446-K450 VanDerWaalsContact O-N 3.11Å
447	Q	91.2	Very high	93.2	Very high	113 Å²	113	87.2 Å²	87.2	53%	0.528	43%	0.427	S	S	.	.	H	α-helix	trans	-65.5	-48.4	178.5	-170.8	56.8	45.1	0	0	111.1	A449 K450 D451	Q447-A449 VanDerWaalsContact C-N 3.27Å; Q447-A449 PolarHBondContact O-N 3Å; Q447-K450 WeakPolarHBondContact O-CA 3.32Å; Q447-K450 WeakPolarHBondContact O-CB 3.33Å; Q447-K450 PolarHBondContact O-N 3.18Å; Q447-D451 PolarHBondContact NE2-OD1 3.36Å; Q447-D451 PolarHBondContact O-N 3.21Å
448	Q	92.8	Very high	93.4	Very high	110 Å²	110	89.4 Å²	89.4	51%	0.514	45%	0.446	S	S	.	.	H	α-helix	trans	-54.2	-43.7	174.2	-177.3	-172.6	-13.6	0	0	111.9	K450 D451 E452	Q448-K450 VanDerWaalsContact C-N 3.3Å; Q448-K450 PolarHBondContact O-N 3.4Å; Q448-D451 PolarHBondContact O-N 2.89Å; Q448-E452 HydrophobicContact CG-CG 4.47Å; Q448-E452 WeakPolarHBondContact CG-OE1 3.49Å; Q448-E452 PolarHBondContact NE2-OE1 3.33Å; Q448-E452 WeakPolarHBondContact O-CB 3.43Å; Q448-E452 WeakPolarHBondContact O-CG 3.22Å; Q448-E452 PolarHBondContact O-N 3.45Å
449	A	93.9	Very high	93.7	Very high	10 Å²	10	89.2 Å²	89.2	8%	0.083	44%	0.439	C	S	.	.	H	α-helix	trans	-62.3	-36.3	178.2	0	0	0	0	0	112.7	E434 L437 K445 L446 Q447 I453	E434-A449 HydrophobicContact CB-CB 4.17Å; E434-A449 HydrophobicContact CG-CB 4.17Å; L437-A449 HydrophobicContact CD1-CB 3.84Å; K445-A449 PolarHBondContact O-N 2.87Å; K445-A449 VanDerWaalsContact O-N 3.14Å; L446-A449 PolarHBondContact O-N 3.12Å; Q447-A449 VanDerWaalsContact C-N 3.27Å; Q447-A449 PolarHBondContact O-N 3Å; A449-I453 WeakPolarHBondContact O-CB 3.44Å; A449-I453 WeakPolarHBondContact O-CD1 3.3Å; A449-I453 VanDerWaalsContact O-CG1 3.22Å; A449-I453 WeakPolarHBondContact O-CG1 3.28Å; A449-I453 PolarHBondContact O-N 2.88Å
450	K	94.7	Very high	94.1	Very high	80 Å²	80	78.3 Å²	78.3	35%	0.348	40%	0.399	S	S	.	.	H	α-helix	trans	-70.8	-42.7	174.9	-71.2	173.6	176.8	-177.3	0	112.5	E434 L446 Q447 Q448 E452 I453 L454	E434-K450 HydrophobicContact CG-CG 4.47Å; E434-K450 WeakPolarHBondContact OE1-CE 3.42Å; E434-K450 WeakPolarHBondContact OE1-CG 3.43Å; E434-K450 IonicContact OE1-NZ 3.97Å; L446-K450 HydrophobicContact CG-CD 4.49Å; L446-K450 WeakPolarHBondContact O-CG 3.47Å; L446-K450 PolarHBondContact O-N 3.43Å; L446-K450 VanDerWaalsContact O-N 3.11Å; Q447-K450 WeakPolarHBondContact O-CA 3.32Å; Q447-K450 WeakPolarHBondContact O-CB 3.33Å; Q447-K450 PolarHBondContact O-N 3.18Å; Q448-K450 VanDerWaalsContact C-N 3.3Å; Q448-K450 PolarHBondContact O-N 3.4Å; K450-E452 VanDerWaalsContact C-N 3.32Å; K450-E452 PolarHBondContact O-N 3.15Å; K450-I453 PolarHBondContact O-N 2.68Å; K450-I453 VanDerWaalsContact O-N 3.12Å; K450-L454 WeakPolarHBondContact O-CG 3.34Å; K450-L454 PolarHBondContact O-N 2.77Å
451	D	95.1	Very high	94.3	Very high	81 Å²	81	78.3 Å²	78.3	43%	0.433	39%	0.393	S	S	.	.	H	α-helix	trans	-62.3	-42.2	177.6	-57.4	-30.2	0	0	0	110.5	Q447 Q448 L454 E455	Q447-D451 PolarHBondContact NE2-OD1 3.36Å; Q447-D451 PolarHBondContact O-N 3.21Å; Q448-D451 PolarHBondContact O-N 2.89Å; D451-L454 PolarHBondContact O-N 3.41Å; D451-E455 PolarHBondContact O-N 3.37Å
452	E	95.5	Very high	94.7	Very high	51 Å²	51	75.5 Å²	75.5	24%	0.238	38%	0.376	C	S	.	.	H	α-helix	trans	-63.9	-37.7	171.7	-71.9	178.5	-162.2	0	0	112.5	K430 Q448 K450 E455 W456	K430-E452 HydrophobicContact CD-CB 4.43Å; K430-E452 IonicContact NZ-OE2 3.25Å; K430-E452 PolarHBondContact NZ-OE2 2.95Å; Q448-E452 HydrophobicContact CG-CG 4.47Å; Q448-E452 WeakPolarHBondContact CG-OE1 3.49Å; Q448-E452 PolarHBondContact NE2-OE1 3.33Å; Q448-E452 WeakPolarHBondContact O-CB 3.43Å; Q448-E452 WeakPolarHBondContact O-CG 3.22Å; Q448-E452 PolarHBondContact O-N 3.45Å; K450-E452 VanDerWaalsContact C-N 3.32Å; K450-E452 PolarHBondContact O-N 3.15Å; E452-E455 PolarHBondContact O-N 3.39Å; E452-W456 PolarHBondContact O-N 3.32Å
453	I	97.6	Very high	95.2	Very high	11 Å²	11	71.9 Å²	71.9	6%	0.056	36%	0.359	C	S	.	.	H	α-helix	trans	-64.2	-45.1	175.6	-77.1	164.1	0	0	0	111	L427 K430 R431 E434 A449 K450 E455 W456 E457	L427-I453 HydrophobicContact CD1-CG2 4.09Å; K430-I453 HydrophobicContact CB-CG1 3.79Å; R431-I453 HydrophobicContact CB-CD1 4.49Å; R431-I453 HydrophobicContact CG-CD1 4.02Å; R431-I453 HydrophobicContact CG-CG1 4.23Å; R431-I453 HydrophobicContact CG-CG2 4.34Å; E434-I453 HydrophobicContact CB-CD1 3.69Å; E434-I453 HydrophobicContact CG-CD1 4.27Å; E434-I453 VanDerWaalsContact OE2-CD1 3.31Å; E434-I453 WeakPolarHBondContact OE2-CD1 3.47Å; A449-I453 WeakPolarHBondContact O-CB 3.44Å; A449-I453 WeakPolarHBondContact O-CD1 3.3Å; A449-I453 VanDerWaalsContact O-CG1 3.22Å; A449-I453 WeakPolarHBondContact O-CG1 3.28Å; A449-I453 PolarHBondContact O-N 2.88Å; K450-I453 PolarHBondContact O-N 2.68Å; K450-I453 VanDerWaalsContact O-N 3.12Å; I453-E455 VanDerWaalsContact C-N 3.33Å; I453-E455 PolarHBondContact O-N 2.91Å; I453-W456 PolarHBondContact O-N 3.18Å; I453-W456 VanDerWaalsContact O-N 3.15Å; I453-E457 HydrophobicContact CG2-CG 4.26Å; I453-E457 WeakPolarHBondContact CG2-OE1 3.48Å; I453-E457 WeakPolarHBondContact O-CB 3.37Å; I453-E457 WeakPolarHBondContact O-CG 3.5Å; I453-E457 PolarHBondContact O-N 3.27Å
454	L	97.4	Very high	95.7	Very high	105 Å²	105	71.5 Å²	71.5	55%	0.55	35%	0.35	S	S	.	.	H	α-helix	trans	-61.9	-39.2	177.3	-68.3	169.7	0	0	0	112.1	K450 D451 S458	K450-L454 WeakPolarHBondContact O-CG 3.34Å; K450-L454 PolarHBondContact O-N 2.77Å; D451-L454 PolarHBondContact O-N 3.41Å; L454-S458 PolarHBondContact O-N 3.35Å
455	E	97.6	Very high	96.2	Very high	88 Å²	88	70.7 Å²	70.7	41%	0.411	34%	0.336	S	S	.	.	H	α-helix	trans	-60.5	-45.2	172.7	-169.4	-162	-176.4	0	0	111.6	D451 E452 I453 S458 R459	D451-E455 PolarHBondContact O-N 3.37Å; E452-E455 PolarHBondContact O-N 3.39Å; I453-E455 VanDerWaalsContact C-N 3.33Å; I453-E455 PolarHBondContact O-N 2.91Å; E455-S458 PolarHBondContact O-N 3.36Å; E455-R459 WeakPolarHBondContact O-CG 3.39Å; E455-R459 PolarHBondContact O-N 3.23Å; E455-R459 VanDerWaalsContact O-N 3.07Å; E455-R459 IonicContact OE1-CZ 2.63Å; E455-R459 IonicContact OE1-NH1 3.39Å; E455-R459 PolarHBondContact OE1-NH1 2.85Å; E455-R459 IonicContact OE1-NH2 3.05Å; E455-R459 PolarHBondContact OE1-NH2 2.93Å; E455-R459 IonicContact OE2-NH1 2.66Å; E455-R459 PolarHBondContact OE2-NH1 3.44Å
456	W	98	Very high	96.5	Very high	50 Å²	50	66.2 Å²	66.2	19%	0.189	32%	0.318	C	S	.	.	H	α-helix	trans	-74.3	-31.8	179.9	-81.9	96.3	0	0	0	113.7	A423 T426 L427 E452 I453 R459 V460	A423-W456 HydrophobicContact CB-CE3 4.19Å; A423-W456 HydrophobicContact CB-CZ3 3.89Å; T426-W456 HydrophobicContact CG2-CD2 3.86Å; T426-W456 HydrophobicContact CG2-CE3 3.97Å; T426-W456 HydrophobicContact CG2-CH2 3.86Å; T426-W456 HydrophobicContact CG2-CZ2 3.74Å; T426-W456 HydrophobicContact CG2-CZ3 3.98Å; L427-W456 HydrophobicContact CB-CB 4.17Å; L427-W456 HydrophobicContact CD1-CB 3.95Å; E452-W456 PolarHBondContact O-N 3.32Å; I453-W456 PolarHBondContact O-N 3.18Å; I453-W456 VanDerWaalsContact O-N 3.15Å; W456-R459 HydrophobicContact CE3-CB 4.28Å; W456-R459 PolarHBondContact O-N 3.12Å; W456-V460 WeakPolarHBondContact O-CG2 3.35Å; W456-V460 PolarHBondContact O-N 3.5Å
457	E	98.4	Very high	96.8	Very high	63 Å²	63	65.9 Å²	65.9	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-61.8	-47.5	169.8	-75.3	173.6	174.8	0	0	110.7	L427 R431 I453 R459 V460 T461	L427-E457 HydrophobicContact CD1-CG 3.71Å; L427-E457 HydrophobicContact CD2-CG 3.71Å; L427-E457 HydrophobicContact CG-CG 4.38Å; R431-E457 IonicContact CZ-OE1 2.92Å; R431-E457 IonicContact NE-OE1 3.53Å; R431-E457 PolarHBondContact NE-OE1 3.43Å; R431-E457 IonicContact NH2-OE1 2.74Å; R431-E457 PolarHBondContact NH2-OE1 3.01Å; I453-E457 HydrophobicContact CG2-CG 4.26Å; I453-E457 WeakPolarHBondContact CG2-OE1 3.48Å; I453-E457 WeakPolarHBondContact O-CB 3.37Å; I453-E457 WeakPolarHBondContact O-CG 3.5Å; I453-E457 PolarHBondContact O-N 3.27Å; E457-R459 VanDerWaalsContact C-N 3.28Å; E457-R459 PolarHBondContact O-N 3.47Å; E457-V460 PolarHBondContact O-N 3.46Å; E457-T461 PolarHBondContact O-N 2.91Å; E457-T461 PolarHBondContact O-OG1 2.96Å
458	S	98.3	Very high	97	Very high	85 Å²	85	65.5 Å²	65.5	59%	0.594	31%	0.314	S	S	*	.	H	α-helix	trans	-62.1	-33.4	175	-171.5	0	0	0	0	113.1	L454 E455 Q462	L454-S458 PolarHBondContact O-N 3.35Å; E455-S458 PolarHBondContact O-N 3.36Å; S458-Q462 WeakPolarHBondContact O-CB 3.36Å; S458-Q462 PolarHBondContact O-N 3.02Å
459	R	98.2	Very high	97.3	Very high	84 Å²	84	66.1 Å²	66.1	32%	0.317	31%	0.311	S	S	.	.	H	α-helix	trans	-69.5	-43.5	173.8	-78.3	-177.1	173.2	121.3	12.6	112.5	E455 W456 E457 Q462 Y463	E455-R459 WeakPolarHBondContact O-CG 3.39Å; E455-R459 PolarHBondContact O-N 3.23Å; E455-R459 VanDerWaalsContact O-N 3.07Å; E455-R459 IonicContact OE1-CZ 2.63Å; E455-R459 IonicContact OE1-NH1 3.39Å; E455-R459 PolarHBondContact OE1-NH1 2.85Å; E455-R459 IonicContact OE1-NH2 3.05Å; E455-R459 PolarHBondContact OE1-NH2 2.93Å; E455-R459 IonicContact OE2-NH1 2.66Å; E455-R459 PolarHBondContact OE2-NH1 3.44Å; W456-R459 HydrophobicContact CE3-CB 4.28Å; W456-R459 PolarHBondContact O-N 3.12Å; E457-R459 VanDerWaalsContact C-N 3.28Å; E457-R459 PolarHBondContact O-N 3.47Å; R459-Q462 PolarHBondContact O-N 3.25Å; R459-Y463 PolarHBondContact O-N 2.92Å
460	V	98.4	Very high	97.4	Very high	11 Å²	11	66 Å²	66	7%	0.067	31%	0.309	C	S	.	.	H	α-helix	trans	-60.3	-50.3	177.9	166.2	0	0	0	0	110.2	A423 Q424 L427 W456 E457 Q462 Y463 E464	A423-V460 HydrophobicContact CB-CG2 3.96Å; Q424-V460 HydrophobicContact CB-CG2 4.4Å; L427-V460 HydrophobicContact CB-CG2 4.18Å; L427-V460 HydrophobicContact CD2-CB 4.37Å; L427-V460 HydrophobicContact CD2-CG2 3.9Å; W456-V460 WeakPolarHBondContact O-CG2 3.35Å; W456-V460 PolarHBondContact O-N 3.5Å; E457-V460 PolarHBondContact O-N 3.46Å; V460-Q462 VanDerWaalsContact C-N 3.26Å; V460-Q462 PolarHBondContact O-N 3.11Å; V460-Y463 PolarHBondContact O-N 3.16Å; V460-E464 WeakPolarHBondContact O-CB 3.47Å; V460-E464 PolarHBondContact O-N 3.34Å
461	T	98.3	Very high	97.6	Very high	53 Å²	53	62.7 Å²	62.7	33%	0.325	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-30	177.7	-61.9	0	0	0	0	113	E457 R465	E457-T461 PolarHBondContact O-N 2.91Å; E457-T461 PolarHBondContact O-OG1 2.96Å; T461-R465 WeakPolarHBondContact O-CD 3.48Å; T461-R465 VanDerWaalsContact O-CG 3.26Å; T461-R465 WeakPolarHBondContact O-CG 3.36Å; T461-R465 PolarHBondContact O-N 3.03Å
462	Q	98.4	Very high	97.7	Very high	79 Å²	79	62.8 Å²	62.8	37%	0.369	30%	0.3	S	S	.	.	H	α-helix	trans	-69.8	-48.2	173.1	-179.7	55	39.8	0	0	111.7	S458 R459 V460 E464 R465 D466	S458-Q462 WeakPolarHBondContact O-CB 3.36Å; S458-Q462 PolarHBondContact O-N 3.02Å; R459-Q462 PolarHBondContact O-N 3.25Å; V460-Q462 VanDerWaalsContact C-N 3.26Å; V460-Q462 PolarHBondContact O-N 3.11Å; Q462-E464 VanDerWaalsContact C-N 3.32Å; Q462-E464 PolarHBondContact O-N 3.26Å; Q462-R465 PolarHBondContact O-N 3.07Å; Q462-D466 PolarHBondContact NE2-OD1 3.34Å; Q462-D466 PolarHBondContact NE2-OD2 3.35Å; Q462-D466 VanDerWaalsContact O-CG 3.27Å; Q462-D466 PolarHBondContact O-N 3.32Å
463	Y	98.2	Very high	97.8	Very high	43 Å²	43	61.6 Å²	61.6	17%	0.169	30%	0.296	C	S	.	.	H	α-helix	trans	-69.8	-28.9	-179.6	-61.2	-18.1	0	0	0	113	R419 A423 R459 V460 D466 F467	R419-Y463 HydrophobicContact CG-CD2 3.88Å; R419-Y463 HydrophobicContact CG-CE2 3.79Å; R419-Y463 HydrophobicContact CG-CG 4.3Å; R419-Y463 VanDerWaalsContact NE-CE1 3.31Å; R419-Y463 PolarHBondContact NE-OH 2.93Å; R419-Y463 VanDerWaalsContact NH2-CE1 3.29Å; R419-Y463 PolarHBondContact NH2-OH 2.86Å; R419-Y463 WeakPolarHBondContact O-CD2 3.44Å; A423-Y463 HydrophobicContact CB-CD2 3.63Å; A423-Y463 HydrophobicContact CB-CE2 3.9Å; R459-Y463 PolarHBondContact O-N 2.92Å; V460-Y463 PolarHBondContact O-N 3.16Å; Y463-D466 PolarHBondContact O-N 2.93Å; Y463-F467 WeakPolarHBondContact O-CB 3.48Å; Y463-F467 PolarHBondContact O-N 2.95Å
464	E	97.4	Very high	97.8	Very high	72 Å²	72	61.1 Å²	61.1	34%	0.336	29%	0.293	S	S	.	.	H	α-helix	trans	-57.8	-53.7	168.3	-172.7	169	-143.5	0	0	110.7	W420 V460 Q462 D466 F467 E468	W420-E464 HydrophobicContact CZ2-CB 4.2Å; W420-E464 HydrophobicContact CZ2-CG 3.77Å; V460-E464 WeakPolarHBondContact O-CB 3.47Å; V460-E464 PolarHBondContact O-N 3.34Å; Q462-E464 VanDerWaalsContact C-N 3.32Å; Q462-E464 PolarHBondContact O-N 3.26Å; E464-D466 VanDerWaalsContact C-N 3.3Å; E464-D466 PolarHBondContact O-N 3.36Å; E464-F467 WeakPolarHBondContact O-CB 3.35Å; E464-F467 PolarHBondContact O-N 3.01Å; E464-F467 VanDerWaalsContact O-N 3.14Å; E464-E468 WeakPolarHBondContact O-CG 3.41Å; E464-E468 PolarHBondContact O-N 3.39Å
465	R	98.2	Very high	97.8	Very high	135 Å²	135	58.9 Å²	58.9	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-32	176.9	-69.2	167	-179.3	170.5	1.1	113.7	T461 Q462 R469	T461-R465 WeakPolarHBondContact O-CD 3.48Å; T461-R465 VanDerWaalsContact O-CG 3.26Å; T461-R465 WeakPolarHBondContact O-CG 3.36Å; T461-R465 PolarHBondContact O-N 3.03Å; Q462-R465 PolarHBondContact O-N 3.07Å; R465-R469 VanDerWaalsContact O-CB 3.31Å; R465-R469 WeakPolarHBondContact O-CB 3.47Å; R465-R469 PolarHBondContact O-N 2.75Å; R465-R469 PolarHBondContact O-NH2 3.35Å
466	D	98	Very high	97.9	Very high	35 Å²	35	61.1 Å²	61.1	19%	0.187	29%	0.286	C	S	.	.	H	α-helix	trans	-72.6	-37.4	175.6	-66.9	-32.1	0	0	0	111	T416 Q462 Y463 E464 R469 I470	T416-D466 HydrophobicContact CG2-CB 4.16Å; Q462-D466 PolarHBondContact NE2-OD1 3.34Å; Q462-D466 PolarHBondContact NE2-OD2 3.35Å; Q462-D466 VanDerWaalsContact O-CG 3.27Å; Q462-D466 PolarHBondContact O-N 3.32Å; Y463-D466 PolarHBondContact O-N 2.93Å; E464-D466 VanDerWaalsContact C-N 3.3Å; E464-D466 PolarHBondContact O-N 3.36Å; D466-R469 IonicContact OD1-CZ 2.64Å; D466-R469 IonicContact OD1-NH1 3.6Å; D466-R469 PolarHBondContact OD1-NH1 3.05Å; D466-R469 IonicContact OD1-NH2 3.38Å; D466-R469 PolarHBondContact OD1-NH2 3.33Å; D466-I470 WeakPolarHBondContact O-CG2 3.36Å; D466-I470 PolarHBondContact O-N 3.24Å
467	F	96.5	Very high	97.9	Very high	25 Å²	25	59.4 Å²	59.4	11%	0.11	28%	0.28	C	S	.	.	H	α-helix	trans	-68.1	-41.9	172.6	174.6	-112.4	0	0	0	112.9	M302 R413 T416 W417 W420 Y463 E464 I470 S471	M302-F467 HydrophobicContact CE-CE2 4.29Å; M302-F467 HydrophobicContact CE-CZ 4.02Å; R413-F467 HydrophobicContact CG-CD2 4.26Å; R413-F467 HydrophobicContact CG-CE2 3.73Å; T416-F467 HydrophobicContact CG2-CB 4.04Å; W417-F467 HydrophobicContact CB-CD2 3.72Å; W417-F467 HydrophobicContact CB-CE2 3.6Å; W417-F467 HydrophobicContact CB-CZ 4.31Å; W417-F467 AromaticContact CD1-CE1 3.96Å; W417-F467 AromaticContact CD1-CE2 3.86Å; W417-F467 AromaticContact CD1-CZ 3.67Å; W417-F467 HydrophobicContact CG-CD2 4.46Å; W417-F467 HydrophobicContact CG-CE2 4.11Å; W417-F467 HydrophobicContact CG-CZ 4.34Å; W420-F467 HydrophobicContact CE3-CB 4.45Å; W420-F467 AromaticContact CE3-CD1 3.79Å; W420-F467 HydrophobicContact CE3-CD1 3.79Å; W420-F467 HydrophobicContact CE3-CE1 4.36Å; W420-F467 HydrophobicContact CE3-CG 4.21Å; W420-F467 AromaticContact CZ3-CD1 3.68Å; W420-F467 HydrophobicContact CZ3-CD1 3.68Å; W420-F467 AromaticContact CZ3-CE1 3.94Å; W420-F467 HydrophobicContact CZ3-CE1 3.94Å; Y463-F467 WeakPolarHBondContact O-CB 3.48Å; Y463-F467 PolarHBondContact O-N 2.95Å; E464-F467 WeakPolarHBondContact O-CB 3.35Å; E464-F467 PolarHBondContact O-N 3.01Å; E464-F467 VanDerWaalsContact O-N 3.14Å; F467-I470 WeakPolarHBondContact O-CG2 3.41Å; F467-S471 VanDerWaalsContact O-CB 3.29Å; F467-S471 WeakPolarHBondContact O-CB 3.41Å; F467-S471 PolarHBondContact O-N 3.16Å; F467-S471 PolarHBondContact O-OG 3.5Å
468	E	96.7	Very high	97.9	Very high	104 Å²	104	56.4 Å²	56.4	49%	0.486	27%	0.266	S	S	.	.	H	α-helix	trans	-57.5	-51.4	171.7	-72.8	178.3	145.7	0	0	110.3	E464 I470 S471 T472	E464-E468 WeakPolarHBondContact O-CG 3.41Å; E464-E468 PolarHBondContact O-N 3.39Å; E468-I470 PolarHBondContact O-N 2.98Å; E468-S471 WeakPolarHBondContact O-CB 3.45Å; E468-S471 PolarHBondContact O-N 2.84Å; E468-T472 PolarHBondContact O-N 2.8Å; E468-T472 PolarHBondContact O-OG1 2.85Å
469	R	98	Very high	97.8	Very high	124 Å²	124	56.1 Å²	56.1	47%	0.468	26%	0.256	S	S	.	.	H	α-helix	trans	-60	-49.6	-178.2	-167.9	-172	-45.1	111.8	24	112.7	R465 D466 S471 T472 V473	R465-R469 VanDerWaalsContact O-CB 3.31Å; R465-R469 WeakPolarHBondContact O-CB 3.47Å; R465-R469 PolarHBondContact O-N 2.75Å; R465-R469 PolarHBondContact O-NH2 3.35Å; D466-R469 IonicContact OD1-CZ 2.64Å; D466-R469 IonicContact OD1-NH1 3.6Å; D466-R469 PolarHBondContact OD1-NH1 3.05Å; D466-R469 IonicContact OD1-NH2 3.38Å; D466-R469 PolarHBondContact OD1-NH2 3.33Å; R469-S471 VanDerWaalsContact C-N 3.28Å; R469-S471 PolarHBondContact O-N 3.47Å; R469-T472 PolarHBondContact O-N 3.44Å; R469-V473 WeakPolarHBondContact O-CG2 3.45Å; R469-V473 PolarHBondContact O-N 3.18Å
470	I	97.6	Very high	97.7	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.036	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-32.7	178.9	-166.6	163.5	0	0	0	111.5	Q412 R413 T416 D466 F467 E468 V473 V474	Q412-I470 HydrophobicContact CB-CD1 3.79Å; R413-I470 HydrophobicContact CB-CG1 4.47Å; R413-I470 HydrophobicContact CB-CG2 4.31Å; R413-I470 HydrophobicContact CG-CG2 4.31Å; T416-I470 HydrophobicContact CG2-CG2 4.07Å; D466-I470 WeakPolarHBondContact O-CG2 3.36Å; D466-I470 PolarHBondContact O-N 3.24Å; F467-I470 WeakPolarHBondContact O-CG2 3.41Å; E468-I470 PolarHBondContact O-N 2.98Å; I470-V473 PolarHBondContact O-N 3.43Å; I470-V474 HydrophobicContact CG1-CG2 4.03Å; I470-V474 WeakPolarHBondContact O-CB 3.43Å; I470-V474 VanDerWaalsContact O-CG2 3.29Å; I470-V474 WeakPolarHBondContact O-CG2 3.43Å; I470-V474 PolarHBondContact O-N 3.39Å
471	S	97	Very high	97.7	Very high	11 Å²	11	53.6 Å²	53.6	8%	0.077	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-41.4	173.5	-60	0	0	0	0	112	R413 F467 E468 R469 R475	R413-S471 WeakPolarHBondContact CD-OG 3.37Å; R413-S471 PolarHBondContact NE-OG 2.9Å; F467-S471 VanDerWaalsContact O-CB 3.29Å; F467-S471 WeakPolarHBondContact O-CB 3.41Å; F467-S471 PolarHBondContact O-N 3.16Å; F467-S471 PolarHBondContact O-OG 3.5Å; E468-S471 WeakPolarHBondContact O-CB 3.45Å; E468-S471 PolarHBondContact O-N 2.84Å; R469-S471 VanDerWaalsContact C-N 3.28Å; R469-S471 PolarHBondContact O-N 3.47Å; S471-R475 VanDerWaalsContact O-CB 3.3Å; S471-R475 WeakPolarHBondContact O-CB 3.46Å; S471-R475 PolarHBondContact O-N 3.16Å; S471-R475 VanDerWaalsContact O-N 3.11Å
472	T	97.8	Very high	97.7	Very high	82 Å²	82	53 Å²	53	50%	0.503	24%	0.24	S	C	.	.	H	α-helix	trans	-63.6	-42.4	173.3	-54.7	0	0	0	0	112.1	E468 R469 K476	E468-T472 PolarHBondContact O-N 2.8Å; E468-T472 PolarHBondContact O-OG1 2.85Å; R469-T472 PolarHBondContact O-N 3.44Å; T472-K476 WeakPolarHBondContact O-CG 3.32Å; T472-K476 PolarHBondContact O-N 3.07Å
473	V	98.2	Very high	97.5	Very high	27 Å²	27	53 Å²	53	16%	0.164	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-57.2	178	174.7	0	0	0	0	110.7	N204 F206 R469 I470 R475 K476 E477	N204-V473 WeakPolarHBondContact O-CG1 3.4Å; F206-V473 HydrophobicContact CD1-CG1 4.04Å; F206-V473 HydrophobicContact CD2-CG1 4.06Å; F206-V473 HydrophobicContact CE1-CG1 3.95Å; F206-V473 HydrophobicContact CE2-CG1 4Å; F206-V473 HydrophobicContact CG-CG1 4.06Å; F206-V473 HydrophobicContact CZ-CG1 3.94Å; F206-V473 HydrophobicContact CZ-CG2 4.43Å; R469-V473 WeakPolarHBondContact O-CG2 3.45Å; R469-V473 PolarHBondContact O-N 3.18Å; I470-V473 PolarHBondContact O-N 3.43Å; V473-R475 PolarHBondContact O-N 3.18Å; V473-R475 VanDerWaalsContact O-N 3.17Å; V473-K476 PolarHBondContact O-N 2.85Å; V473-E477 HydrophobicContact CG1-CG 3.76Å; V473-E477 WeakPolarHBondContact O-CB 3.42Å; V473-E477 WeakPolarHBondContact O-CG 3.18Å; V473-E477 PolarHBondContact O-N 3.04Å
474	V	98	Very high	97.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-55.8	-38.9	-178.3	175.7	0	0	0	0	111.5	F309 A409 F410 R413 I470 E477 V478	F309-V474 HydrophobicContact CE1-CB 4.24Å; F309-V474 HydrophobicContact CE1-CG1 3.95Å; A409-V474 HydrophobicContact CB-CG1 4.42Å; A409-V474 HydrophobicContact CB-CG2 4.17Å; F410-V474 HydrophobicContact CD2-CG1 4.19Å; F410-V474 HydrophobicContact CE2-CG1 4.22Å; R413-V474 HydrophobicContact CB-CG2 4.46Å; I470-V474 HydrophobicContact CG1-CG2 4.03Å; I470-V474 WeakPolarHBondContact O-CB 3.43Å; I470-V474 VanDerWaalsContact O-CG2 3.29Å; I470-V474 WeakPolarHBondContact O-CG2 3.43Å; I470-V474 PolarHBondContact O-N 3.39Å; V474-E477 PolarHBondContact O-N 3.09Å; V474-V478 HydrophobicContact CG1-CG2 4.23Å; V474-V478 WeakPolarHBondContact O-CB 3.33Å; V474-V478 WeakPolarHBondContact O-CG2 3.24Å; V474-V478 PolarHBondContact O-N 3.3Å
475	R	97.8	Very high	97.4	Very high	59 Å²	59	50.8 Å²	50.8	22%	0.223	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-50.3	175.4	177.7	170	-81.1	126.3	-8.5	112.5	D306 W308 F309 S471 V473 E477 M479	D306-R475 IonicContact OD1-CZ 3.25Å; D306-R475 IonicContact OD1-NH2 2.65Å; D306-R475 PolarHBondContact OD1-NH2 3.24Å; D306-R475 IonicContact OD2-CZ 2.91Å; D306-R475 IonicContact OD2-NH1 2.75Å; D306-R475 PolarHBondContact OD2-NH1 3.33Å; D306-R475 IonicContact OD2-NH2 3.36Å; D306-R475 PolarHBondContact OD2-NH2 3.47Å; W308-R475 HydrophobicContact CH2-CB 4.06Å; W308-R475 HydrophobicContact CH2-CG 3.98Å; W308-R475 HydrophobicContact CZ2-CG 4.19Å; W308-R475 HydrophobicContact CZ3-CB 4.02Å; W308-R475 HydrophobicContact CZ3-CG 4.16Å; F309-R475 HydrophobicContact CZ-CB 4.4Å; S471-R475 VanDerWaalsContact O-CB 3.3Å; S471-R475 WeakPolarHBondContact O-CB 3.46Å; S471-R475 PolarHBondContact O-N 3.16Å; S471-R475 VanDerWaalsContact O-N 3.11Å; V473-R475 PolarHBondContact O-N 3.18Å; V473-R475 VanDerWaalsContact O-N 3.17Å; R475-E477 PolarHBondContact O-N 3.2Å; R475-M479 WeakPolarHBondContact O-CG 3.43Å; R475-M479 PolarHBondContact O-N 2.94Å
476	K	97.8	Very high	97.3	Very high	135 Å²	135	47.9 Å²	47.9	59%	0.587	23%	0.23	S	C	*	.	H	α-helix	trans	-62.7	-42.6	177.9	-72.6	-167.4	172.7	-152.8	0	112	T472 V473 M479 R480	T472-K476 WeakPolarHBondContact O-CG 3.32Å; T472-K476 PolarHBondContact O-N 3.07Å; V473-K476 PolarHBondContact O-N 2.85Å; K476-M479 PolarHBondContact O-N 3.07Å; K476-R480 VanDerWaalsContact O-CB 3.3Å; K476-R480 WeakPolarHBondContact O-CB 3.39Å; K476-R480 PolarHBondContact O-N 2.71Å
477	E	98.1	Very high	97.2	Very high	13 Å²	13	51.1 Å²	51.1	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-43.2	-179.5	-69.2	-76.1	114	0	0	112.3	F206 I207 H252 V473 V474 R475 R480 F481	F206-E477 VanDerWaalsContact CA-OE2 3.23Å; F206-E477 WeakPolarHBondContact CA-OE2 3.42Å; F206-E477 HydrophobicContact CD1-CG 4.07Å; F206-E477 WeakPolarHBondContact CD1-OE1 3.36Å; F206-E477 WeakPolarHBondContact CD1-OE2 3.4Å; I207-E477 HydrophobicContact CD1-CB 3.78Å; I207-E477 WeakPolarHBondContact CD1-O 3.46Å; I207-E477 HydrophobicContact CG1-CB 4.01Å; I207-E477 PolarHBondContact N-OE2 3.29Å; H252-E477 IonicContact CE1-OE1 2.77Å; H252-E477 PolarHBondContact CE1-OE1 3.01Å; H252-E477 IonicContact CE1-OE2 2.7Å; H252-E477 IonicContact NE2-OE1 2.97Å; H252-E477 PolarHBondContact NE2-OE1 3.34Å; H252-E477 IonicContact NE2-OE2 2.76Å; H252-E477 PolarHBondContact NE2-OE2 3.45Å; V473-E477 HydrophobicContact CG1-CG 3.76Å; V473-E477 WeakPolarHBondContact O-CB 3.42Å; V473-E477 WeakPolarHBondContact O-CG 3.18Å; V473-E477 PolarHBondContact O-N 3.04Å; V474-E477 PolarHBondContact O-N 3.09Å; R475-E477 PolarHBondContact O-N 3.2Å; E477-R480 PolarHBondContact O-N 3.27Å; E477-F481 VanDerWaalsContact O-CB 3.27Å; E477-F481 WeakPolarHBondContact O-CB 3.39Å; E477-F481 PolarHBondContact O-N 3.05Å
478	V	98.2	Very high	97.1	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-48.4	175.8	169.2	0	0	0	0	111.3	I207 W308 K312 V406 F410 V474 R480 F481 E482	I207-V478 HydrophobicContact CD1-CG2 4.4Å; W308-V478 HydrophobicContact CH2-CB 4.02Å; W308-V478 HydrophobicContact CH2-CG1 4.03Å; W308-V478 HydrophobicContact CH2-CG2 4.44Å; W308-V478 HydrophobicContact CZ2-CG1 4.22Å; K312-V478 HydrophobicContact CG-CG1 3.92Å; V406-V478 HydrophobicContact CG1-CG2 4Å; F410-V478 HydrophobicContact CE2-CG2 3.7Å; F410-V478 HydrophobicContact CZ-CG2 4.19Å; V474-V478 HydrophobicContact CG1-CG2 4.23Å; V474-V478 WeakPolarHBondContact O-CB 3.33Å; V474-V478 WeakPolarHBondContact O-CG2 3.24Å; V474-V478 PolarHBondContact O-N 3.3Å; V478-R480 VanDerWaalsContact C-N 3.33Å; V478-R480 PolarHBondContact O-N 3.34Å; V478-F481 PolarHBondContact O-N 3.49Å; V478-E482 WeakPolarHBondContact O-CG 3.37Å; V478-E482 PolarHBondContact O-N 2.88Å
479	M	97.3	Very high	97.2	Very high	78 Å²	78	48.4 Å²	48.4	38%	0.384	23%	0.23	S	C	.	.	H	α-helix	trans	-59.5	-45.1	178.3	-64.8	-62.4	-66.9	0	0	111.3	W308 R475 K476 E482 K483	W308-M479 HydrophobicContact CZ2-SD 4.33Å; R475-M479 WeakPolarHBondContact O-CG 3.43Å; R475-M479 PolarHBondContact O-N 2.94Å; K476-M479 PolarHBondContact O-N 3.07Å; M479-E482 PolarHBondContact O-N 2.76Å; M479-K483 PolarHBondContact O-N 2.9Å
480	R	97	Very high	97.1	Very high	32 Å²	32	49.2 Å²	49.2	12%	0.121	24%	0.237	C	C	.	.	H	α-helix	trans	-59.1	-48.8	175	-173.3	-171.9	173.7	-65.9	-22.8	111.7	D141 N251 H252 K476 E477 V478 E482 K483 E484	D141-R480 WeakPolarHBondContact OD2-CD 3.43Å; D141-R480 IonicContact OD2-CZ 2.65Å; D141-R480 IonicContact OD2-NE 2.87Å; D141-R480 PolarHBondContact OD2-NE 2.66Å; D141-R480 IonicContact OD2-NH2 2.96Å; N251-R480 PolarHBondContact O-NH2 2.79Å; H252-R480 PolarHBondContact CD2-NH1 2.93Å; K476-R480 VanDerWaalsContact O-CB 3.3Å; K476-R480 WeakPolarHBondContact O-CB 3.39Å; K476-R480 PolarHBondContact O-N 2.71Å; E477-R480 PolarHBondContact O-N 3.27Å; V478-R480 VanDerWaalsContact C-N 3.33Å; V478-R480 PolarHBondContact O-N 3.34Å; R480-E482 VanDerWaalsContact C-N 3.29Å; R480-E482 PolarHBondContact O-N 3.21Å; R480-K483 PolarHBondContact O-N 3.49Å; R480-E484 IonicContact CZ-OE1 3.17Å; R480-E484 IonicContact CZ-OE2 2.73Å; R480-E484 IonicContact NH1-OE1 2.63Å; R480-E484 PolarHBondContact NH1-OE1 3.26Å; R480-E484 IonicContact NH1-OE2 2.63Å; R480-E484 PolarHBondContact NH1-OE2 3.46Å; R480-E484 VanDerWaalsContact NH2-CD 3.27Å; R480-E484 IonicContact NH2-OE1 2.71Å; R480-E484 PolarHBondContact NH2-OE1 3.02Å; R480-E484 IonicContact NH2-OE2 2.73Å; R480-E484 PolarHBondContact O-N 3.05Å
481	F	97.5	Very high	97.1	Very high	10 Å²	10	53.2 Å²	53.2	4%	0.044	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-39.2	176.8	163.8	-101.7	0	0	0	112.1	I207 Y399 L402 L403 V406 E477 V478 K485	I207-F481 HydrophobicContact CD1-CB 3.92Å; I207-F481 HydrophobicContact CD1-CG 4.45Å; Y399-F481 AromaticContact CD1-CE2 3.76Å; Y399-F481 HydrophobicContact CD1-CE2 3.76Å; Y399-F481 AromaticContact CD1-CZ 3.87Å; Y399-F481 HydrophobicContact CD1-CZ 3.87Å; Y399-F481 HydrophobicContact CE1-CD2 4.46Å; Y399-F481 AromaticContact CE1-CE2 3.61Å; Y399-F481 HydrophobicContact CE1-CE2 3.61Å; Y399-F481 HydrophobicContact CE1-CZ 4.09Å; L402-F481 HydrophobicContact CB-CE2 3.67Å; L402-F481 HydrophobicContact CB-CZ 4.24Å; L402-F481 HydrophobicContact CD1-CE2 4.31Å; L402-F481 HydrophobicContact CG-CE2 4.46Å; L403-F481 HydrophobicContact CD2-CE1 3.73Å; L403-F481 HydrophobicContact CD2-CZ 3.86Å; L403-F481 HydrophobicContact CG-CZ 4.19Å; V406-F481 HydrophobicContact CG2-CD1 3.73Å; V406-F481 HydrophobicContact CG2-CD2 4.42Å; V406-F481 HydrophobicContact CG2-CE1 3.7Å; V406-F481 HydrophobicContact CG2-CE2 4.4Å; V406-F481 HydrophobicContact CG2-CG 4.09Å; V406-F481 HydrophobicContact CG2-CZ 4.05Å; E477-F481 VanDerWaalsContact O-CB 3.27Å; E477-F481 WeakPolarHBondContact O-CB 3.39Å; E477-F481 PolarHBondContact O-N 3.05Å; V478-F481 PolarHBondContact O-N 3.49Å; F481-K485 HydrophobicContact CE1-CD 4.19Å; F481-K485 HydrophobicContact CZ-CD 4.2Å; F481-K485 WeakPolarHBondContact O-CB 3.3Å; F481-K485 PolarHBondContact O-N 2.93Å
482	E	97.2	Very high	97	Very high	41 Å²	41	54.5 Å²	54.5	19%	0.192	26%	0.264	C	S	.	.	H	α-helix	trans	-73.8	-36	179.3	-70.8	-159.1	118.4	0	0	113.9	K312 V478 M479 R480 K485 S486	K312-E482 VanDerWaalsContact CE-CD 3.44Å; K312-E482 WeakPolarHBondContact CE-OE2 3.41Å; K312-E482 IonicContact NZ-OE1 2.72Å; K312-E482 PolarHBondContact NZ-OE1 3.43Å; K312-E482 VanDerWaalsContact NZ-OE1 3.1Å; K312-E482 IonicContact NZ-OE2 2.86Å; K312-E482 PolarHBondContact NZ-OE2 3.22Å; V478-E482 WeakPolarHBondContact O-CG 3.37Å; V478-E482 PolarHBondContact O-N 2.88Å; M479-E482 PolarHBondContact O-N 2.76Å; R480-E482 VanDerWaalsContact C-N 3.29Å; R480-E482 PolarHBondContact O-N 3.21Å; E482-K485 PolarHBondContact O-N 2.74Å; E482-K485 IonicContact OE1-NZ 3.58Å; E482-K485 PolarHBondContact OE1-NZ 3.26Å; E482-S486 VanDerWaalsContact O-CB 3.31Å; E482-S486 WeakPolarHBondContact O-CB 3.34Å; E482-S486 PolarHBondContact O-N 3.44Å; E482-S486 PolarHBondContact O-OG 3.05Å
483	K	96.1	Very high	96.9	Very high	80 Å²	80	53.2 Å²	53.2	35%	0.348	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-45.6	170.9	-170.4	173.9	-178.9	175.6	0	110.6	E138 M479 R480 K487	E138-K483 IonicContact OE2-NZ 2.94Å; E138-K483 PolarHBondContact OE2-NZ 2.8Å; M479-K483 PolarHBondContact O-N 2.9Å; R480-K483 PolarHBondContact O-N 3.49Å; K483-K487 WeakPolarHBondContact O-CB 3.43Å; K483-K487 PolarHBondContact O-N 2.89Å; K483-K487 VanDerWaalsContact O-N 3.14Å
484	E	95.2	Very high	97	Very high	53 Å²	53	55.6 Å²	55.6	25%	0.248	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-49.9	173.5	-74.9	-169.6	135.4	0	0	112.6	R480 S486 K487 D488	R480-E484 IonicContact CZ-OE1 3.17Å; R480-E484 IonicContact CZ-OE2 2.73Å; R480-E484 IonicContact NH1-OE1 2.63Å; R480-E484 PolarHBondContact NH1-OE1 3.26Å; R480-E484 IonicContact NH1-OE2 2.63Å; R480-E484 PolarHBondContact NH1-OE2 3.46Å; R480-E484 VanDerWaalsContact NH2-CD 3.27Å; R480-E484 IonicContact NH2-OE1 2.71Å; R480-E484 PolarHBondContact NH2-OE1 3.02Å; R480-E484 IonicContact NH2-OE2 2.73Å; R480-E484 PolarHBondContact O-N 3.05Å; E484-S486 VanDerWaalsContact C-N 3.32Å; E484-S486 PolarHBondContact O-N 3.02Å; E484-K487 PolarHBondContact O-N 2.89Å; E484-K487 VanDerWaalsContact O-N 3.16Å; E484-D488 WeakPolarHBondContact O-CB 3.42Å; E484-D488 PolarHBondContact O-N 2.82Å
485	K	96.6	Very high	97	Very high	15 Å²	15	61 Å²	61	7%	0.065	29%	0.29	C	S	.	.	H	α-helix	trans	-50.9	-50.8	176.3	176.7	-175.6	58.4	165.1	0	111	E319 Y399 F481 E482 K487 D488 F489	E319-K485 IonicContact OE1-NZ 3.2Å; E319-K485 PolarHBondContact OE1-NZ 3.46Å; E319-K485 IonicContact OE2-NZ 3.88Å; E319-K485 PolarHBondContact OE2-NZ 3.42Å; Y399-K485 HydrophobicContact CD1-CB 4.24Å; Y399-K485 HydrophobicContact CD1-CD 4.41Å; Y399-K485 HydrophobicContact CD1-CG 3.92Å; Y399-K485 HydrophobicContact CE1-CB 3.64Å; Y399-K485 HydrophobicContact CE1-CG 3.8Å; F481-K485 HydrophobicContact CE1-CD 4.19Å; F481-K485 HydrophobicContact CZ-CD 4.2Å; F481-K485 WeakPolarHBondContact O-CB 3.3Å; F481-K485 PolarHBondContact O-N 2.93Å; E482-K485 PolarHBondContact O-N 2.74Å; E482-K485 IonicContact OE1-NZ 3.58Å; E482-K485 PolarHBondContact OE1-NZ 3.26Å; K485-K487 VanDerWaalsContact C-N 3.34Å; K485-K487 PolarHBondContact O-N 3.27Å; K485-D488 PolarHBondContact O-N 3.27Å; K485-F489 HydrophobicContact CG-CD2 3.76Å; K485-F489 HydrophobicContact CG-CE2 3.97Å; K485-F489 WeakPolarHBondContact O-CB 3.47Å; K485-F489 WeakPolarHBondContact O-CD2 3.32Å; K485-F489 PolarHBondContact O-N 3.22Å
486	S	96.7	Very high	97	Very high	74 Å²	74	59.3 Å²	59.3	52%	0.517	28%	0.284	S	S	.	.	H	α-helix	trans	-65.4	-37.4	-177.7	-55.2	0	0	0	0	112.2	E482 E484 K490	E482-S486 VanDerWaalsContact O-CB 3.31Å; E482-S486 WeakPolarHBondContact O-CB 3.34Å; E482-S486 PolarHBondContact O-N 3.44Å; E482-S486 PolarHBondContact O-OG 3.05Å; E484-S486 VanDerWaalsContact C-N 3.32Å; E484-S486 PolarHBondContact O-N 3.02Å; S486-K490 WeakPolarHBondContact O-CB 3.28Å; S486-K490 PolarHBondContact O-N 2.96Å
487	K	95.7	Very high	97	Very high	102 Å²	102	57.7 Å²	57.7	44%	0.443	28%	0.281	S	S	.	.	H	α-helix	trans	-68	-45.9	175	-165.2	167.8	-174.1	166.1	0	111.1	E140 K483 E484 K485 N491	E140-K487 VanDerWaalsContact CD-NZ 3.34Å; E140-K487 IonicContact OE1-NZ 2.69Å; E140-K487 PolarHBondContact OE1-NZ 3.47Å; E140-K487 VanDerWaalsContact OE1-NZ 3.07Å; E140-K487 IonicContact OE2-NZ 3.71Å; E140-K487 PolarHBondContact OE2-NZ 3.12Å; K483-K487 WeakPolarHBondContact O-CB 3.43Å; K483-K487 PolarHBondContact O-N 2.89Å; K483-K487 VanDerWaalsContact O-N 3.14Å; E484-K487 PolarHBondContact O-N 2.89Å; E484-K487 VanDerWaalsContact O-N 3.16Å; K485-K487 VanDerWaalsContact C-N 3.34Å; K485-K487 PolarHBondContact O-N 3.27Å; K487-N491 WeakPolarHBondContact O-CB 3.49Å; K487-N491 PolarHBondContact O-N 2.98Å; K487-N491 VanDerWaalsContact O-N 3.12Å; K487-N491 PolarHBondContact O-ND2 3.47Å
488	D	95.3	Very high	97	Very high	34 Å²	34	62.7 Å²	62.7	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-69.2	-47.3	-177.1	-158.1	21.5	0	0	0	111.9	R248 Y399 E484 K485 N491 H492	R248-D488 IonicContact CZ-OD2 2.5Å; R248-D488 IonicContact NE-OD2 2.7Å; R248-D488 IonicContact NH2-OD2 3.4Å; R248-D488 PolarHBondContact NH2-OD2 3.48Å; Y399-D488 HydrophobicContact CE2-CB 4.1Å; Y399-D488 WeakPolarHBondContact CE2-OD2 3.28Å; Y399-D488 WeakPolarHBondContact OH-CB 3.44Å; Y399-D488 PolarHBondContact OH-OD2 3.2Å; E484-D488 WeakPolarHBondContact O-CB 3.42Å; E484-D488 PolarHBondContact O-N 2.82Å; K485-D488 PolarHBondContact O-N 3.27Å; D488-N491 PolarHBondContact O-N 2.88Å; D488-H492 WeakPolarHBondContact O-CB 3.41Å; D488-H492 PolarHBondContact O-N 2.95Å; D488-H492 PolarHBondContact O-ND1 2.85Å; D488-H492 IonicContact OD1-CE1 2.61Å; D488-H492 PolarHBondContact OD1-CE1 3Å; D488-H492 IonicContact OD1-ND1 3.97Å; D488-H492 PolarHBondContact OD1-ND1 3.4Å
489	F	97.2	Very high	97	Very high	39 Å²	39	63.8 Å²	63.8	17%	0.171	31%	0.311	C	S	.	.	H	α-helix	trans	-60.5	-45.8	174.8	-93.6	-85	0	0	0	112.1	L323 L395 L396 Y399 K485 N491 H492 V493	L323-F489 HydrophobicContact CD1-CZ 4.08Å; L323-F489 HydrophobicContact CD2-CZ 4.17Å; L395-F489 HydrophobicContact CD2-CD1 3.6Å; L395-F489 HydrophobicContact CD2-CE1 3.75Å; L395-F489 HydrophobicContact CD2-CG 4.16Å; L395-F489 HydrophobicContact CD2-CZ 4.43Å; L395-F489 HydrophobicContact CG-CD1 4.34Å; L395-F489 HydrophobicContact CG-CE1 4.18Å; L395-F489 HydrophobicContact CG-CZ 4.38Å; L396-F489 HydrophobicContact CD2-CE1 3.88Å; L396-F489 HydrophobicContact CD2-CZ 4.1Å; Y399-F489 HydrophobicContact CD1-CE2 4.14Å; Y399-F489 AromaticContact CD2-CD2 4Å; Y399-F489 HydrophobicContact CD2-CD2 4Å; Y399-F489 AromaticContact CD2-CE2 3.43Å; Y399-F489 HydrophobicContact CD2-CE2 3.43Å; Y399-F489 VanDerWaalsContact CD2-CE2 3.43Å; Y399-F489 HydrophobicContact CD2-CZ 4.1Å; Y399-F489 HydrophobicContact CE2-CD2 4.19Å; Y399-F489 HydrophobicContact CE2-CE2 4.08Å; Y399-F489 HydrophobicContact CG-CD2 4.32Å; Y399-F489 AromaticContact CG-CE2 3.49Å; Y399-F489 HydrophobicContact CG-CE2 3.49Å; Y399-F489 VanDerWaalsContact CG-CE2 3.49Å; Y399-F489 HydrophobicContact CG-CZ 4.21Å; K485-F489 HydrophobicContact CG-CD2 3.76Å; K485-F489 HydrophobicContact CG-CE2 3.97Å; K485-F489 WeakPolarHBondContact O-CB 3.47Å; K485-F489 WeakPolarHBondContact O-CD2 3.32Å; K485-F489 PolarHBondContact O-N 3.22Å; F489-N491 VanDerWaalsContact C-N 3.34Å; F489-N491 PolarHBondContact O-N 3.02Å; F489-H492 PolarHBondContact O-N 3.34Å; F489-V493 VanDerWaalsContact O-CB 3.27Å; F489-V493 WeakPolarHBondContact O-CB 3.45Å; F489-V493 VanDerWaalsContact O-CG2 3.24Å; F489-V493 WeakPolarHBondContact O-CG2 3.33Å; F489-V493 PolarHBondContact O-N 3.46Å
490	K	97.6	Very high	97	Very high	140 Å²	140	62 Å²	62	61%	0.609	30%	0.303	S	S	*	.	H	α-helix	trans	-57.1	-48.6	177.6	176.7	178.6	174.8	-178.1	0	111.2	S486 I494	S486-K490 WeakPolarHBondContact O-CB 3.28Å; S486-K490 PolarHBondContact O-N 2.96Å; K490-I494 HydrophobicContact CG-CD1 3.83Å; K490-I494 WeakPolarHBondContact O-CB 3.46Å; K490-I494 WeakPolarHBondContact O-CD1 3.48Å; K490-I494 VanDerWaalsContact O-CG1 3.22Å; K490-I494 WeakPolarHBondContact O-CG1 3.48Å; K490-I494 PolarHBondContact O-N 3.33Å
491	N	96.2	Very high	97.1	Very high	92 Å²	92	65.5 Å²	65.5	49%	0.492	32%	0.323	S	S	.	.	H	α-helix	trans	-65.7	-45.5	-177.9	-67.2	-15.5	0	0	0	112	K487 D488 F489 K495	K487-N491 WeakPolarHBondContact O-CB 3.49Å; K487-N491 PolarHBondContact O-N 2.98Å; K487-N491 VanDerWaalsContact O-N 3.12Å; K487-N491 PolarHBondContact O-ND2 3.47Å; D488-N491 PolarHBondContact O-N 2.88Å; F489-N491 VanDerWaalsContact C-N 3.34Å; F489-N491 PolarHBondContact O-N 3.02Å; N491-K495 WeakPolarHBondContact O-CB 3.4Å; N491-K495 PolarHBondContact O-N 2.75Å; N491-K495 VanDerWaalsContact O-N 3.11Å
492	H	95.9	Very high	97.1	Very high	38 Å²	38	70.2 Å²	70.2	18%	0.176	34%	0.341	C	S	.	.	H	α-helix	trans	-68.7	-40	179.5	-79.9	87.5	0	0	0	113	L395 D488 F489 K495 Y496	L395-H492 HydrophobicContact CD1-CB 4.15Å; L395-H492 HydrophobicContact CD2-CB 3.66Å; L395-H492 HydrophobicContact CG-CB 4.43Å; D488-H492 WeakPolarHBondContact O-CB 3.41Å; D488-H492 PolarHBondContact O-N 2.95Å; D488-H492 PolarHBondContact O-ND1 2.85Å; D488-H492 IonicContact OD1-CE1 2.61Å; D488-H492 PolarHBondContact OD1-CE1 3Å; D488-H492 IonicContact OD1-ND1 3.97Å; D488-H492 PolarHBondContact OD1-ND1 3.4Å; F489-H492 PolarHBondContact O-N 3.34Å; H492-K495 PolarHBondContact O-N 2.87Å; H492-Y496 VanDerWaalsContact O-CB 3.27Å; H492-Y496 WeakPolarHBondContact O-CB 3.48Å; H492-Y496 PolarHBondContact O-N 3.39Å
493	V	96.4	Very high	97.1	Very high	54 Å²	54	68.3 Å²	68.3	33%	0.327	33%	0.333	S	S	.	.	H	α-helix	trans	-68.1	-39.7	177.9	171.8	0	0	0	0	111.5	F489 Y496 L497	F489-V493 VanDerWaalsContact O-CB 3.27Å; F489-V493 WeakPolarHBondContact O-CB 3.45Å; F489-V493 VanDerWaalsContact O-CG2 3.24Å; F489-V493 WeakPolarHBondContact O-CG2 3.33Å; F489-V493 PolarHBondContact O-N 3.46Å; V493-Y496 PolarHBondContact O-N 2.92Å; V493-L497 HydrophobicContact CG1-CD1 3.99Å; V493-L497 HydrophobicContact CG1-CG 4.39Å; V493-L497 WeakPolarHBondContact O-CB 3.46Å; V493-L497 VanDerWaalsContact O-CG 3.28Å; V493-L497 WeakPolarHBondContact O-CG 3.24Å; V493-L497 PolarHBondContact O-N 3.46Å
494	I	98.3	Very high	97.2	Very high	77 Å²	77	69.6 Å²	69.6	40%	0.395	34%	0.34	S	S	.	.	H	α-helix	trans	-58.7	-53.4	172.7	-71.4	167.2	0	0	0	110	K490 Y496 L497 E498	K490-I494 HydrophobicContact CG-CD1 3.83Å; K490-I494 WeakPolarHBondContact O-CB 3.46Å; K490-I494 WeakPolarHBondContact O-CD1 3.48Å; K490-I494 VanDerWaalsContact O-CG1 3.22Å; K490-I494 WeakPolarHBondContact O-CG1 3.48Å; K490-I494 PolarHBondContact O-N 3.33Å; I494-Y496 VanDerWaalsContact C-N 3.29Å; I494-Y496 PolarHBondContact O-N 3.41Å; I494-L497 PolarHBondContact O-N 3.06Å; I494-L497 VanDerWaalsContact O-N 3.16Å; I494-E498 HydrophobicContact CG2-CG 4.45Å; I494-E498 WeakPolarHBondContact O-CG 3.47Å; I494-E498 PolarHBondContact O-N 3.22Å
495	K	98	Very high	97.3	Very high	113 Å²	113	72.1 Å²	72.1	49%	0.491	35%	0.352	S	S	.	.	H	α-helix	trans	-58.7	-38.9	179.1	-175.6	-179.9	172.7	-171.8	0	112.6	L391 N491 H492 E498 T499	L391-K495 HydrophobicContact CD1-CD 4.5Å; L391-K495 HydrophobicContact CD1-CG 4.15Å; L391-K495 HydrophobicContact CD2-CD 3.9Å; L391-K495 HydrophobicContact CD2-CG 4.42Å; N491-K495 WeakPolarHBondContact O-CB 3.4Å; N491-K495 PolarHBondContact O-N 2.75Å; N491-K495 VanDerWaalsContact O-N 3.11Å; H492-K495 PolarHBondContact O-N 2.87Å; K495-E498 PolarHBondContact O-N 3.13Å; K495-T499 WeakPolarHBondContact O-CG2 3.36Å; K495-T499 PolarHBondContact O-N 3.21Å
496	Y	98	Very high	97.4	Very high	25 Å²	25	72.6 Å²	72.6	10%	0.098	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-48	175.8	173.6	-114.9	0	0	0	111.7	D388 L391 L392 H492 V493 I494 E498 T499 L500	D388-Y496 WeakPolarHBondContact OD1-CE2 3.47Å; D388-Y496 PolarHBondContact OD1-OH 3.03Å; L391-Y496 HydrophobicContact CB-CD2 4.33Å; L392-Y496 HydrophobicContact CB-CD2 4.47Å; L392-Y496 HydrophobicContact CD2-CD1 4.26Å; L392-Y496 HydrophobicContact CD2-CE1 3.72Å; H492-Y496 VanDerWaalsContact O-CB 3.27Å; H492-Y496 WeakPolarHBondContact O-CB 3.48Å; H492-Y496 PolarHBondContact O-N 3.39Å; V493-Y496 PolarHBondContact O-N 2.92Å; I494-Y496 VanDerWaalsContact C-N 3.29Å; I494-Y496 PolarHBondContact O-N 3.41Å; Y496-E498 VanDerWaalsContact C-N 3.29Å; Y496-E498 PolarHBondContact O-N 2.98Å; Y496-T499 PolarHBondContact O-N 3.27Å; Y496-T499 VanDerWaalsContact O-N 3.12Å; Y496-T499 PolarHBondContact O-OG1 3.31Å; Y496-L500 HydrophobicContact CD1-CD1 4.28Å; Y496-L500 HydrophobicContact CE1-CD1 3.69Å; Y496-L500 HydrophobicContact CE1-CG 4.42Å; Y496-L500 HydrophobicContact CE2-CD1 4.23Å; Y496-L500 HydrophobicContact CE2-CD2 4.19Å; Y496-L500 HydrophobicContact CE2-CG 4.14Å; Y496-L500 PolarHBondContact O-N 3.19Å
497	L	98.3	Very high	97.5	Very high	100 Å²	100	70.9 Å²	70.9	52%	0.524	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-36.8	175.6	-68.7	170.2	0	0	0	112.3	V493 I494 L500 L501	V493-L497 HydrophobicContact CG1-CD1 3.99Å; V493-L497 HydrophobicContact CG1-CG 4.39Å; V493-L497 WeakPolarHBondContact O-CB 3.46Å; V493-L497 VanDerWaalsContact O-CG 3.28Å; V493-L497 WeakPolarHBondContact O-CG 3.24Å; V493-L497 PolarHBondContact O-N 3.46Å; I494-L497 PolarHBondContact O-N 3.06Å; I494-L497 VanDerWaalsContact O-N 3.16Å; L497-L500 PolarHBondContact O-N 3.2Å; L497-L501 WeakPolarHBondContact O-CB 3.39Å; L497-L501 PolarHBondContact O-N 3.37Å
498	E	98.4	Very high	97.6	Very high	118 Å²	118	68.2 Å²	68.2	55%	0.551	34%	0.336	S	S	*	.	H	α-helix	trans	-61.9	-44.2	172.4	-70.8	170.1	162.6	0	0	111.9	I494 K495 Y496 L500 L501 Y502	I494-E498 HydrophobicContact CG2-CG 4.45Å; I494-E498 WeakPolarHBondContact O-CG 3.47Å; I494-E498 PolarHBondContact O-N 3.22Å; K495-E498 PolarHBondContact O-N 3.13Å; Y496-E498 VanDerWaalsContact C-N 3.29Å; Y496-E498 PolarHBondContact O-N 2.98Å; E498-L500 PolarHBondContact O-N 3.46Å; E498-L501 PolarHBondContact O-N 3.5Å; E498-Y502 WeakPolarHBondContact O-CB 3.2Å; E498-Y502 PolarHBondContact O-N 2.83Å
499	T	98.2	Very high	97.7	Very high	24 Å²	24	72.1 Å²	72.1	15%	0.147	35%	0.352	C	S	.	.	H	α-helix	trans	-65	-37.7	175.6	59.2	0	0	0	0	113	L391 K495 Y496 S503	L391-T499 HydrophobicContact CD1-CG2 3.91Å; K495-T499 WeakPolarHBondContact O-CG2 3.36Å; K495-T499 PolarHBondContact O-N 3.21Å; Y496-T499 PolarHBondContact O-N 3.27Å; Y496-T499 VanDerWaalsContact O-N 3.12Å; Y496-T499 PolarHBondContact O-OG1 3.31Å; T499-S503 WeakPolarHBondContact O-CB 3.49Å; T499-S503 PolarHBondContact O-N 3.19Å; T499-S503 PolarHBondContact O-OG 2.89Å
500	L	97.7	Very high	97.7	Very high	42 Å²	42	72.8 Å²	72.8	22%	0.22	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-45.6	174.3	-68.3	-179.1	0	0	0	111.5	Y496 L497 E498 S503 Q504	Y496-L500 HydrophobicContact CD1-CD1 4.28Å; Y496-L500 HydrophobicContact CE1-CD1 3.69Å; Y496-L500 HydrophobicContact CE1-CG 4.42Å; Y496-L500 HydrophobicContact CE2-CD1 4.23Å; Y496-L500 HydrophobicContact CE2-CD2 4.19Å; Y496-L500 HydrophobicContact CE2-CG 4.14Å; Y496-L500 PolarHBondContact O-N 3.19Å; L497-L500 PolarHBondContact O-N 3.2Å; E498-L500 PolarHBondContact O-N 3.46Å; L500-S503 PolarHBondContact O-N 3.26Å; L500-Q504 WeakPolarHBondContact O-CG 3.35Å; L500-Q504 PolarHBondContact O-N 2.82Å
501	L	98.2	Very high	97.7	Very high	104 Å²	104	71 Å²	71	55%	0.545	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-48.4	177.7	176.4	61	0	0	0	111.8	L497 E498 S503 Q504 Q505	L497-L501 WeakPolarHBondContact O-CB 3.39Å; L497-L501 PolarHBondContact O-N 3.37Å; E498-L501 PolarHBondContact O-N 3.5Å; L501-S503 PolarHBondContact O-N 3.38Å; L501-Q504 PolarHBondContact O-N 2.69Å; L501-Q505 HydrophobicContact CD1-CG 4.49Å; L501-Q505 WeakPolarHBondContact O-CG 3.29Å; L501-Q505 PolarHBondContact O-N 2.92Å
502	Y	98.1	Very high	97.8	Very high	109 Å²	109	73.3 Å²	73.3	43%	0.427	35%	0.351	S	S	.	.	H	α-helix	trans	-56.4	-41.5	175.7	170	-103.3	0	0	0	111.7	E498 Q505 Q506	E498-Y502 WeakPolarHBondContact O-CB 3.2Å; E498-Y502 PolarHBondContact O-N 2.83Å; Y502-Q505 WeakPolarHBondContact O-CB 3.4Å; Y502-Q505 PolarHBondContact O-N 3.05Å; Y502-Q506 HydrophobicContact CE1-CG 4.13Å; Y502-Q506 HydrophobicContact CE2-CG 4.11Å; Y502-Q506 VanDerWaalsContact CE2-NE2 3.32Å; Y502-Q506 PolarHBondContact O-N 2.83Å
503	S	97.6	Very high	97.8	Very high	1 Å²	1	75 Å²	75	1%	0.007	37%	0.371	C	S	.	.	H	α-helix	trans	-66	-46.4	179.3	-55.3	0	0	0	0	112.1	L380 Q384 T499 L500 L501 Q505 Q506 L507	L380-S503 WeakPolarHBondContact CD2-O 3.22Å; Q384-S503 VanDerWaalsContact CG-OG 3.32Å; Q384-S503 WeakPolarHBondContact CG-OG 3.4Å; T499-S503 WeakPolarHBondContact O-CB 3.49Å; T499-S503 PolarHBondContact O-N 3.19Å; T499-S503 PolarHBondContact O-OG 2.89Å; L500-S503 PolarHBondContact O-N 3.26Å; L501-S503 PolarHBondContact O-N 3.38Å; S503-Q505 PolarHBondContact O-N 3.31Å; S503-Q506 PolarHBondContact O-N 3.41Å; S503-Q506 VanDerWaalsContact O-N 3.09Å; S503-L507 PolarHBondContact O-N 3.23Å
504	Q	97.6	Very high	97.7	Very high	107 Å²	107	73.6 Å²	73.6	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-33	176.9	-65.5	-64	-9	0	0	112	L500 L501 L507 A508	L500-Q504 WeakPolarHBondContact O-CG 3.35Å; L500-Q504 PolarHBondContact O-N 2.82Å; L501-Q504 PolarHBondContact O-N 2.69Å; Q504-L507 PolarHBondContact O-N 3Å; Q504-A508 WeakPolarHBondContact O-CB 3.49Å; Q504-A508 PolarHBondContact O-N 3.38Å
505	Q	98.3	Very high	97.5	Very high	106 Å²	106	74 Å²	74	50%	0.495	36%	0.363	S	S	.	.	H	α-helix	trans	-67.2	-39.1	173.1	-69.9	170.7	-2.4	0	0	113	L501 Y502 S503 K509	L501-Q505 HydrophobicContact CD1-CG 4.49Å; L501-Q505 WeakPolarHBondContact O-CG 3.29Å; L501-Q505 PolarHBondContact O-N 2.92Å; Y502-Q505 WeakPolarHBondContact O-CB 3.4Å; Y502-Q505 PolarHBondContact O-N 3.05Å; S503-Q505 PolarHBondContact O-N 3.31Å; Q505-K509 VanDerWaalsContact O-CB 3.3Å; Q505-K509 WeakPolarHBondContact O-CB 3.49Å; Q505-K509 PolarHBondContact O-N 3.42Å
506	Q	98.3	Very high	97.2	Very high	25 Å²	25	72.3 Å²	72.3	12%	0.117	36%	0.364	C	S	.	.	H	α-helix	trans	-68.7	-41.9	173.1	-62.4	-38.8	-61.7	0	0	111.7	L380 Y502 S503 A508 K509 Y510	L380-Q506 HydrophobicContact CD1-CB 4.26Å; L380-Q506 HydrophobicContact CD2-CB 4.16Å; Y502-Q506 HydrophobicContact CE1-CG 4.13Å; Y502-Q506 HydrophobicContact CE2-CG 4.11Å; Y502-Q506 VanDerWaalsContact CE2-NE2 3.32Å; Y502-Q506 PolarHBondContact O-N 2.83Å; S503-Q506 PolarHBondContact O-N 3.41Å; S503-Q506 VanDerWaalsContact O-N 3.09Å; Q506-A508 PolarHBondContact O-N 3.01Å; Q506-K509 PolarHBondContact O-N 2.96Å; Q506-Y510 HydrophobicContact CB-CE1 4.39Å; Q506-Y510 HydrophobicContact CB-CE2 4.1Å; Q506-Y510 WeakPolarHBondContact O-CD1 3.45Å; Q506-Y510 WeakPolarHBondContact O-CD2 3.07Å; Q506-Y510 PolarHBondContact O-N 2.99Å
507	L	97.6	Very high	96.8	Very high	38 Å²	38	74.1 Å²	74.1	20%	0.199	37%	0.373	C	S	.	.	H	α-helix	trans	-58.2	-48.3	177.9	-178.1	61	0	0	0	111.8	I377 L380 S503 Q504 K509 Y510 W511	I377-L507 HydrophobicContact CD1-CD1 3.73Å; I377-L507 HydrophobicContact CG1-CD1 3.68Å; I377-L507 HydrophobicContact CG2-CD1 4.16Å; L380-L507 HydrophobicContact CD2-CB 3.98Å; S503-L507 PolarHBondContact O-N 3.23Å; Q504-L507 PolarHBondContact O-N 3Å; L507-K509 PolarHBondContact O-N 3.06Å; L507-Y510 PolarHBondContact O-N 3.25Å; L507-W511 PolarHBondContact O-N 3.25Å
508	A	97.9	Very high	96.4	Very high	47 Å²	47	71.1 Å²	71.1	39%	0.388	36%	0.363	S	S	.	.	H	α-helix	trans	-58.3	-48.8	175.9	0	0	0	0	0	111.7	Q504 Q506 Y510 W511 E512	Q504-A508 WeakPolarHBondContact O-CB 3.49Å; Q504-A508 PolarHBondContact O-N 3.38Å; Q506-A508 PolarHBondContact O-N 3.01Å; A508-Y510 VanDerWaalsContact C-N 3.31Å; A508-Y510 PolarHBondContact O-N 2.99Å; A508-W511 PolarHBondContact O-N 3.04Å; A508-E512 WeakPolarHBondContact O-CG 3.4Å; A508-E512 PolarHBondContact O-N 2.96Å
509	K	98.2	Very high	96.1	Very high	116 Å²	116	71.8 Å²	71.8	50%	0.504	36%	0.364	S	S	.	.	H	α-helix	trans	-59.8	-35.5	178	172.2	-175.5	159.8	-157.7	0	113.3	Q505 Q506 L507 A513	Q505-K509 VanDerWaalsContact O-CB 3.3Å; Q505-K509 WeakPolarHBondContact O-CB 3.49Å; Q505-K509 PolarHBondContact O-N 3.42Å; Q506-K509 PolarHBondContact O-N 2.96Å; L507-K509 PolarHBondContact O-N 3.06Å; K509-A513 WeakPolarHBondContact O-CB 3.45Å; K509-A513 PolarHBondContact O-N 3.43Å
510	Y	98.1	Very high	95.6	Very high	52 Å²	52	73.2 Å²	73.2	20%	0.204	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-43.1	175.9	-60.8	-23.8	0	0	0	111.6	K376 I377 L380 Q506 L507 A508 A513 F514	K376-Y510 HydrophobicContact CB-CD2 3.94Å; K376-Y510 HydrophobicContact CB-CE1 4.36Å; K376-Y510 HydrophobicContact CB-CE2 3.73Å; K376-Y510 HydrophobicContact CB-CG 4.35Å; K376-Y510 WeakPolarHBondContact O-CE2 3.47Å; I377-Y510 HydrophobicContact CG1-CD2 4Å; L380-Y510 HydrophobicContact CD2-CE2 4.2Å; Q506-Y510 HydrophobicContact CB-CE1 4.39Å; Q506-Y510 HydrophobicContact CB-CE2 4.1Å; Q506-Y510 WeakPolarHBondContact O-CD1 3.45Å; Q506-Y510 WeakPolarHBondContact O-CD2 3.07Å; Q506-Y510 PolarHBondContact O-N 2.99Å; L507-Y510 PolarHBondContact O-N 3.25Å; A508-Y510 VanDerWaalsContact C-N 3.31Å; A508-Y510 PolarHBondContact O-N 2.99Å; Y510-A513 PolarHBondContact O-N 3.17Å; Y510-F514 PolarHBondContact O-N 3.05Å; Y510-F514 VanDerWaalsContact O-N 3.13Å
511	W	97.6	Very high	95	Very high	103 Å²	103	74.7 Å²	74.7	39%	0.39	39%	0.386	S	S	.	.	H	α-helix	trans	-69.7	-37.4	175.5	-71.4	116	0	0	0	113.4	L370 V373 E374 I377 L507 A508 A513 F514 L515	L370-W511 HydrophobicContact CD1-CH2 3.98Å; L370-W511 HydrophobicContact CD1-CZ3 4.11Å; V373-W511 HydrophobicContact CG1-CD2 4.48Å; V373-W511 HydrophobicContact CG1-CE3 4.26Å; V373-W511 HydrophobicContact CG1-CH2 4.36Å; V373-W511 HydrophobicContact CG1-CZ3 4.2Å; E374-W511 WeakPolarHBondContact OE1-CH2 3.42Å; I377-W511 HydrophobicContact CD1-CH2 4.37Å; I377-W511 HydrophobicContact CD1-CZ2 3.5Å; I377-W511 VanDerWaalsContact CD1-CZ2 3.5Å; L507-W511 PolarHBondContact O-N 3.25Å; A508-W511 PolarHBondContact O-N 3.04Å; W511-A513 VanDerWaalsContact C-N 3.31Å; W511-A513 PolarHBondContact O-N 2.81Å; W511-F514 HydrophobicContact CE3-CB 4.47Å; W511-F514 HydrophobicContact CE3-CD1 4.01Å; W511-F514 AromaticContact CZ3-CD1 3.94Å; W511-F514 HydrophobicContact CZ3-CD1 3.94Å; W511-F514 HydrophobicContact CZ3-CE1 4.44Å; W511-F514 PolarHBondContact O-N 3.44Å; W511-L515 PolarHBondContact O-N 3.36Å
512	E	96.8	Very high	93.6	Very high	141 Å²	141	77.4 Å²	77.4	66%	0.659	41%	0.413	S	S	*	.	H	α-helix	trans	-61.5	-38.8	173	-75.2	179.5	167.6	0	0	112.1	A508	A508-E512 WeakPolarHBondContact O-CG 3.4Å; A508-E512 PolarHBondContact O-N 2.96Å
513	A	95.6	Very high	93.4	Very high	73 Å²	73	75.9 Å²	75.9	60%	0.603	41%	0.412	S	S	*	.	H	α-helix	trans	-69.7	-30	175.5	0	0	0	0	0	113.2	K509 Y510 W511 P516	K509-A513 WeakPolarHBondContact O-CB 3.45Å; K509-A513 PolarHBondContact O-N 3.43Å; Y510-A513 PolarHBondContact O-N 3.17Å; W511-A513 VanDerWaalsContact C-N 3.31Å; W511-A513 PolarHBondContact O-N 2.81Å; A513-P516 WeakPolarHBondContact O-CD 3.35Å
514	F	95.7	Very high	93.2	Very high	25 Å²	25	79.8 Å²	79.8	11%	0.11	43%	0.434	C	S	.	.	H	α-helix	trans	-76	-33.2	176.3	-178	-118.9	0	0	0	113.7	A366 Q369 L370 V373 Y510 W511 P516 E517 A518	A366-F514 WeakPolarHBondContact O-CE2 3.37Å; Q369-F514 HydrophobicContact CB-CD2 4.25Å; Q369-F514 HydrophobicContact CB-CE2 4.19Å; L370-F514 HydrophobicContact CB-CE2 3.8Å; L370-F514 HydrophobicContact CB-CZ 3.75Å; L370-F514 HydrophobicContact CD2-CE1 4.46Å; L370-F514 HydrophobicContact CD2-CZ 4.19Å; L370-F514 HydrophobicContact CG-CE1 3.88Å; L370-F514 HydrophobicContact CG-CE2 4.06Å; L370-F514 HydrophobicContact CG-CZ 3.59Å; V373-F514 HydrophobicContact CG2-CB 3.99Å; V373-F514 HydrophobicContact CG2-CD2 4.31Å; V373-F514 HydrophobicContact CG2-CG 4.38Å; Y510-F514 PolarHBondContact O-N 3.05Å; Y510-F514 VanDerWaalsContact O-N 3.13Å; W511-F514 HydrophobicContact CE3-CB 4.47Å; W511-F514 HydrophobicContact CE3-CD1 4.01Å; W511-F514 AromaticContact CZ3-CD1 3.94Å; W511-F514 HydrophobicContact CZ3-CD1 3.94Å; W511-F514 HydrophobicContact CZ3-CE1 4.44Å; W511-F514 PolarHBondContact O-N 3.44Å; F514-P516 VanDerWaalsContact C-N 3.32Å; F514-P516 VanDerWaalsContact O-N 3.11Å; F514-E517 HydrophobicContact CE2-CB 4.41Å; F514-E517 PolarHBondContact O-N 3.25Å; F514-A518 HydrophobicContact CD1-CB 4.28Å; F514-A518 HydrophobicContact CE1-CB 3.79Å; F514-A518 HydrophobicContact CZ-CB 4.1Å; F514-A518 PolarHBondContact O-N 3.38Å
515	L	94	Very high	92.9	Very high	84 Å²	84	78.3 Å²	78.3	44%	0.44	43%	0.43	S	S	.	.	H	α-helix	trans	-52.7	-32.9	-171.2	-173.2	61.5	0	0	0	116	W511 K519	W511-L515 PolarHBondContact O-N 3.36Å; L515-K519 HydrophobicContact CG-CD 4.29Å; L515-K519 WeakPolarHBondContact O-CD 3.43Å; L515-K519 VanDerWaalsContact O-CG 3.29Å; L515-K519 WeakPolarHBondContact O-CG 3.29Å; L515-K519 PolarHBondContact O-N 3.3Å
516	P	92	Very high	92.6	Very high	79 Å²	79	76.6 Å²	76.6	51%	0.513	43%	0.426	S	S	.	.	H	α-helix	trans	-66.3	-40.2	173.7	-21.9	35.1	0	0	0	113.8	A513 F514 K519 A520	A513-P516 WeakPolarHBondContact O-CD 3.35Å; F514-P516 VanDerWaalsContact C-N 3.32Å; F514-P516 VanDerWaalsContact O-N 3.11Å; P516-K519 PolarHBondContact O-N 2.84Å; P516-A520 PolarHBondContact O-N 3.17Å
517	E	89.6	Confident	92.2	Very high	62 Å²	62	79.9 Å²	79.9	29%	0.29	45%	0.446	S	S	.	.	H	α-helix	trans	-69.9	-40.4	179.9	-66.6	-66.5	143.9	0	0	110.8	R365 Q369 F514 K519 A520	R365-E517 WeakPolarHBondContact CD-OE2 3.45Å; Q369-E517 HydrophobicContact CB-CG 4.42Å; Q369-E517 HydrophobicContact CG-CG 4.21Å; F514-E517 HydrophobicContact CE2-CB 4.41Å; F514-E517 PolarHBondContact O-N 3.25Å; E517-K519 PolarHBondContact O-N 3.33Å; E517-A520 WeakPolarHBondContact O-CB 3.24Å; E517-A520 PolarHBondContact O-N 3.24Å
518	A	89.8	Confident	91.9	Very high	37 Å²	37	82.7 Å²	82.7	31%	0.306	46%	0.462	S	S	.	.	H	α-helix	trans	-59	-34.5	172	0	0	0	0	0	112.8	F514 A520	F514-A518 HydrophobicContact CD1-CB 4.28Å; F514-A518 HydrophobicContact CE1-CB 3.79Å; F514-A518 HydrophobicContact CZ-CB 4.1Å; F514-A518 PolarHBondContact O-N 3.38Å; A518-A520 VanDerWaalsContact C-N 3.31Å
519	K	91.2	Very high	91.4	Very high	133 Å²	133	85.2 Å²	85.2	58%	0.578	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-11	174.9	-73.3	169.3	-180	170.2	0	114	L515 P516 E517 S522	L515-K519 HydrophobicContact CG-CD 4.29Å; L515-K519 WeakPolarHBondContact O-CD 3.43Å; L515-K519 VanDerWaalsContact O-CG 3.29Å; L515-K519 WeakPolarHBondContact O-CG 3.29Å; L515-K519 PolarHBondContact O-N 3.3Å; P516-K519 PolarHBondContact O-N 2.84Å; E517-K519 PolarHBondContact O-N 3.33Å; K519-S522 PolarHBondContact O-OG 3.02Å
520	A	88.8	Confident	90.9	Very high	54 Å²	54	82.8 Å²	82.8	45%	0.446	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	1.9	177.7	0	0	0	0	0	113.4	P516 E517 A518	P516-A520 PolarHBondContact O-N 3.17Å; E517-A520 WeakPolarHBondContact O-CB 3.24Å; E517-A520 PolarHBondContact O-N 3.24Å; A518-A520 VanDerWaalsContact C-N 3.31Å
521	I	84.8	Confident	90.3	Very high	73 Å²	73	85.4 Å²	85.4	37%	0.374	49%	0.486	S	S	.	.			trans	-82.5	-24.4	176.6	-50.3	173.5	0	0	0	111.7	L363 A366	L363-I521 HydrophobicContact CD1-CD1 4.18Å; L363-I521 HydrophobicContact CD1-CG2 4.21Å; A366-I521 HydrophobicContact CB-CD1 3.57Å; A366-I521 HydrophobicContact CB-CG1 3.72Å
522	S	68.1	Low	89.7	Confident	161 Å²	161	83.8 Å²	83.8	100%	1.126	50%	0.495	S	S	*	.			trans	-95.1	0	-176.9	63.5	0	0	0	0	114	K519	K519-S522 PolarHBondContact O-OG 3.02Å

Retrieved 522 of 522 residues in 1274.6 ms (Link to these results)

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