A0A087X7Y1_POEFO Loading...

Pumilio homolog 3

Inhibits the poly(ADP-ribosyl)ation activity of PARP1 and the degradation of PARP1 by CASP3 following genotoxic stress. Binds to double-stranded RNA or DNA without sequence specificity. Involved in development of the eye and of primordial germ cells.

AlphaFold DB , UniProt , Accession A0A087X7Y1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 603 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	29.6	Very low	245 Å²	245	159.9 Å²	159.9	100%	1.207	85%	0.849	S	S	*	*				0	125.6	0	-77	174.5	-179.7	0	0	107.4
2	E	28.2	Very low	29.2	Very low	197 Å²	197	162.3 Å²	162.3	92%	0.921	85%	0.851	S	S	*	*			trans	-41.3	151.4	-172.6	-65.3	151.7	156.5	0	0	114.6
3	A	28.1	Very low	29.4	Very low	96 Å²	96	158.5 Å²	158.5	79%	0.793	84%	0.843	S	S	*	*			cis	-156.1	154.8	22	0	0	0	0	0	112.3
4	K	33.1	Very low	29.1	Very low	200 Å²	200	153.1 Å²	153.1	87%	0.87	84%	0.843	S	S	*	*			trans	-115.8	167.1	149	-82.1	-176.9	178.3	175.4	0	106.1
5	P	40	Very low	28.9	Very low	113 Å²	113	159.5 Å²	159.5	73%	0.734	85%	0.849	S	S	*	*			cis	-140.3	176.6	24.4	27.2	0.5	0	0	0	113.2
6	Q	26	Very low	28.7	Very low	185 Å²	185	161.5 Å²	161.5	86%	0.864	85%	0.848	S	S	*	*				176.6	145.8	81	-83.9	-179.6	-20.2	0	0	110.2
7	K	33.9	Very low	28.4	Very low	199 Å²	199	159.1 Å²	159.1	87%	0.865	85%	0.845	S	S	*	*			trans	-100.7	155.4	152.4	-81.7	-177.3	178.1	179.8	0	106.3
8	P	31.9	Very low	28.2	Very low	109 Å²	109	156.1 Å²	156.1	71%	0.708	84%	0.838	S	S	*	*				-154.5	176.7	55.1	37.5	-14.3	0	0	0	116.1
9	F	23.4	Very low	28	Very low	202 Å²	202	158.6 Å²	158.6	89%	0.886	84%	0.841	S	S	*	*				175.9	136.9	128.7	-107.8	-82	0	0	0	112.5
10	S	25.1	Very low	27.8	Very low	100 Å²	100	161.5 Å²	161.5	70%	0.699	85%	0.846	S	S	*	*			trans	-110.8	144.4	174.2	56.5	0	0	0	0	110.4
11	S	25.1	Very low	27.7	Very low	113 Å²	113	157.1 Å²	157.1	79%	0.79	84%	0.841	S	S	*	*			trans	159.6	109.1	130.1	60.6	0	0	0	0	114.2
12	Q	24.3	Very low	27.3	Very low	188 Å²	188	155.6 Å²	155.6	88%	0.879	83%	0.827	S	S	*	*			trans	32.5	171.1	137	-70.4	-154.7	11.4	0	0	123.8
13	P	32.3	Very low	27.1	Very low	114 Å²	114	149.6 Å²	149.6	74%	0.74	82%	0.818	S	S	*	*			cis	-135.2	145.7	-42.1	35.5	-18.1	0	0	0	113.4
14	G	25.5	Very low	27	Very low	82 Å²	82	155 Å²	155	85%	0.845	82%	0.824	S	S	*	*			trans	-121	109	175.9	0	0	0	0	0	113.2
15	R	25.5	Very low	26.6	Very low	249 Å²	249	153.3 Å²	153.3	94%	0.94	82%	0.824	S	S	*	*			trans	-34	139.6	-178.3	-68.8	171.5	174.5	-174.9	-2.7	118.7
16	K	25.7	Very low	25.9	Very low	192 Å²	192	153.3 Å²	153.3	84%	0.835	83%	0.827	S	S	*	*			trans	-59.2	159.2	158.6	-68.7	178.9	175.8	174.7	0	111.9
17	P	24.7	Very low	25.8	Very low	121 Å²	121	151 Å²	151	79%	0.786	83%	0.825	S	S	*	*				-138.2	119.7	96.3	26.5	-8.5	0	0	0	112.1
18	S	23.7	Very low	25.4	Very low	104 Å²	104	144.8 Å²	144.8	73%	0.727	82%	0.817	S	S	*	*				55.7	103.4	88.5	81.4	0	0	0	0	115.9
19	F	24.6	Very low	25.2	Very low	205 Å²	205	145.4 Å²	145.4	90%	0.899	82%	0.819	S	S	*	*			trans	-51.9	144.3	160.8	-96.7	-109.6	0	0	0	113.6
20	K	23.7	Very low	25.4	Very low	215 Å²	215	145.4 Å²	145.4	94%	0.935	82%	0.819	S	S	*	*				-165.9	120.5	128.4	-109.3	176.8	-176.8	-179	0	113.4
21	G	25.1	Very low	25.5	Very low	71 Å²	71	147.8 Å²	147.8	73%	0.732	82%	0.817	S	S	*	*			trans	15.1	130.1	153.8	0	0	0	0	0	123.5
22	K	24.2	Very low	25.5	Very low	213 Å²	213	146.4 Å²	146.4	93%	0.926	82%	0.821	S	S	*	*			trans	-143.5	128.3	136.8	-68.6	-169.5	178	-179.6	0	105.9
23	G	22.5	Very low	25.5	Very low	71 Å²	71	141 Å²	141	73%	0.732	82%	0.815	S	S	*	*				98.3	105.4	50.3	0	0	0	0	0	107.4
24	K	27.7	Very low	25.2	Very low	209 Å²	209	145.5 Å²	145.5	91%	0.909	82%	0.823	S	S	*	*			trans	-30	134.3	-178.2	-70.3	170.1	172.6	174.8	0	115.2
25	D	24.5	Very low	25.5	Very low	165 Å²	165	147.6 Å²	147.6	88%	0.882	82%	0.821	S	S	*	*			trans	-140.6	137.4	154.8	-88.9	-35.5	0	0	0	111.6
26	S	24.4	Very low	25.5	Very low	113 Å²	113	139.7 Å²	139.7	79%	0.79	82%	0.817	S	S	*	*			trans	-64.7	138.9	-171.2	46.7	0	0	0	0	115.1	G28	S26-G28 PolarHBondContact O-N 3.43Å
27	V	24.2	Very low	25.5	Very low	137 Å²	137	135 Å²	135	83%	0.83	82%	0.815	S	S	*	*			trans	-65.2	118.3	175	177.3	0	0	0	0	110.8
28	G	25	Very low	25.6	Very low	67 Å²	67	138.8 Å²	138.8	69%	0.691	82%	0.819	S	S	*	*			trans	-126.8	98.8	164.3	0	0	0	0	0	109.1	S26 K30	S26-G28 PolarHBondContact O-N 3.43Å; G28-K30 PolarHBondContact O-N 3.08Å
29	T	28.2	Very low	25.7	Very low	123 Å²	123	142.9 Å²	142.9	76%	0.755	82%	0.824	S	S	*	*			trans	-69.7	109.1	-176.2	-15.9	0	0	0	0	110.1
30	K	27.7	Very low	25.8	Very low	201 Å²	201	139.2 Å²	139.2	87%	0.874	82%	0.82	S	S	*	*			trans	-91.2	126.5	172.1	-79.8	-177.4	177.6	175.7	0	110.2	G28 G32	G28-K30 PolarHBondContact O-N 3.08Å; K30-G32 PolarHBondContact O-N 2.72Å
31	F	27.2	Very low	25.8	Very low	151 Å²	151	139 Å²	139	66%	0.662	82%	0.82	S	S	*	*			trans	-68.4	120.6	165.5	-75.6	-86.2	0	0	0	109.8	K349	F31-K349 HydrophobicContact CE1-CD 4Å; F31-K349 HydrophobicContact CZ-CD 3.79Å
32	G	24.9	Very low	25.9	Very low	84 Å²	84	144.7 Å²	144.7	87%	0.866	82%	0.824	S	S	*	*			trans	-177.2	77.8	175.5	0	0	0	0	0	113.3	K30	K30-G32 PolarHBondContact O-N 2.72Å
33	G	25.2	Very low	26	Very low	73 Å²	73	140.5 Å²	140.5	75%	0.753	82%	0.819	S	S	*	*			trans	-112.4	125	164.9	0	0	0	0	0	110
34	K	25.3	Very low	26.1	Very low	210 Å²	210	147.2 Å²	147.2	91%	0.913	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-73.5	137.4	169.8	-76	179.7	175.6	178.3	0	110
35	P	30.9	Very low	25.9	Very low	125 Å²	125	146.8 Å²	146.8	81%	0.812	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-98	143.6	157.7	-4.7	24.5	0	0	0	111.9
36	G	25.6	Very low	25.9	Very low	83 Å²	83	144.9 Å²	144.9	86%	0.856	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-64	167.2	175.2	0	0	0	0	0	114.5
37	A	26.2	Very low	26	Very low	95 Å²	95	144.4 Å²	144.4	79%	0.785	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-87.3	167	-160.1	0	0	0	0	0	116.7
38	K	25.7	Very low	26	Very low	199 Å²	199	146.1 Å²	146.1	87%	0.865	80%	0.803	S	S	*	*			trans	97.5	125.4	163.7	-62.8	-177.6	-178.6	177.3	0	114.4
39	K	26.5	Very low	26.1	Very low	191 Å²	191	152.4 Å²	152.4	83%	0.83	81%	0.811	S	S	*	*			cis	-150.5	164.1	13.8	-94.4	172.8	-175.9	179.8	0	110
40	P	27	Very low	25.9	Very low	127 Å²	127	156.1 Å²	156.1	83%	0.825	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-86.2	134.8	-174.5	33.3	-32.2	0	0	0	113.7
41	F	23.9	Very low	25.7	Very low	212 Å²	212	151.7 Å²	151.7	93%	0.93	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-88.4	127.1	172.5	-137.4	-98.7	0	0	0	109.8
42	K	27.4	Very low	25.7	Very low	189 Å²	189	154.4 Å²	154.4	82%	0.822	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-77.9	146.2	175.6	-81	178.9	175.3	176.4	0	110.8
43	P	26.7	Very low	25.9	Very low	126 Å²	126	156.5 Å²	156.5	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-78.3	138.2	170.3	26.2	-23.3	0	0	0	112
44	Y	22.9	Very low	25.9	Very low	211 Å²	211	156.4 Å²	156.4	83%	0.827	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-69.8	132.6	-177.6	-156.3	-101.2	0	0	0	111.4
45	K	24.2	Very low	25.8	Very low	201 Å²	201	156.4 Å²	156.4	87%	0.874	82%	0.82	S	S	*	*			trans	-104.7	140	167.6	-87.7	-176	174.8	-178.9	0	108.6
46	N	24.4	Very low	25.9	Very low	124 Å²	124	156.2 Å²	156.2	66%	0.663	82%	0.819	S	S	*	*			trans	-137.6	103.5	161.5	-133.5	5.4	0	0	0	106.8
47	T	26.5	Very low	26.1	Very low	103 Å²	103	159.8 Å²	159.8	63%	0.632	82%	0.819	S	S	*	*				77.6	105.9	101.2	51.7	0	0	0	0	113.7
48	E	25.4	Very low	26.1	Very low	173 Å²	173	163 Å²	163	81%	0.808	82%	0.823	S	S	*	*				78.3	103.6	102.2	-73.5	-167.6	155.4	0	0	114.2
49	K	25.6	Very low	26.1	Very low	200 Å²	200	156.3 Å²	156.3	87%	0.87	81%	0.81	S	S	*	*				81.5	116.5	86.8	-96	-171.9	-178.8	176.2	0	115.8
50	K	24.8	Very low	26.2	Very low	201 Å²	201	158.8 Å²	158.8	87%	0.874	81%	0.814	S	S	*	*			trans	-150.5	100.2	148	-78.9	-169.1	178.3	178.3	0	107.4
51	S	23.5	Very low	26.3	Very low	107 Å²	107	162.7 Å²	162.7	75%	0.748	82%	0.818	S	S	*	*				75.1	112.7	85.4	64.5	0	0	0	0	116.1
52	K	27.4	Very low	26.5	Very low	208 Å²	208	157.6 Å²	157.6	90%	0.904	81%	0.806	S	S	*	*			trans	-169.2	153.2	132.9	-101.6	-177.3	-176	-174.5	0	111.9
53	P	28.8	Very low	26.6	Very low	128 Å²	128	154.2 Å²	154.2	83%	0.831	81%	0.806	S	S	*	*			trans	-122.6	163.4	-157.5	38.2	-22	0	0	0	117.6
54	G	24.9	Very low	26.7	Very low	72 Å²	72	157.5 Å²	157.5	74%	0.742	81%	0.808	S	S	*	*			trans	97	100.7	153.4	0	0	0	0	0	118.1
55	K	24.5	Very low	26.9	Very low	210 Å²	210	151.8 Å²	151.8	91%	0.913	80%	0.799	S	S	*	*				69.6	151.2	91.9	-88.8	-166.7	-179.5	-177.2	0	116.3
56	P	31.2	Very low	27.6	Very low	120 Å²	120	152.2 Å²	152.2	78%	0.779	80%	0.801	S	S	*	*			cis	-133.5	-179.3	-20.7	38.1	-17.8	0	0	0	115
57	N	30.3	Very low	27.8	Very low	159 Å²	159	151.7 Å²	151.7	85%	0.85	80%	0.802	S	S	*	*			trans	-33.2	136.6	174.1	-122.6	7.7	0	0	0	118.1
58	D	26.6	Very low	27.9	Very low	163 Å²	163	154.9 Å²	154.9	87%	0.872	81%	0.81	S	S	*	*				-168	152.1	122.6	-135.2	-22.9	0	0	0	113.4
59	G	26.6	Very low	28.3	Very low	57 Å²	57	156.6 Å²	156.6	59%	0.588	82%	0.815	S	S	*	*			trans	92.5	100.9	148.1	0	0	0	0	0	120.7
60	R	28.1	Very low	28.7	Very low	243 Å²	243	158.6 Å²	158.6	92%	0.917	82%	0.817	S	S	*	*			trans	59.8	111	137.4	-64.8	177.9	178.6	177.4	-1	119.3	P62	R60-P62 WeakPolarHBondContact O-CD 3.45Å
61	K	28.4	Very low	29.1	Very low	209 Å²	209	158.8 Å²	158.8	91%	0.909	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-59.5	125.4	153.4	-75.5	178	176.6	175.3	0	110.1
62	P	28.2	Very low	30	Very low	105 Å²	105	161.9 Å²	161.9	68%	0.682	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-88.9	122.1	159.1	0.8	19.4	0	0	0	108.9	R60 F64	R60-P62 WeakPolarHBondContact O-CD 3.45Å; P62-F64 PolarHBondContact O-N 3.22Å
63	S	29.7	Very low	30.6	Very low	119 Å²	119	158 Å²	158	83%	0.832	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-62.5	119.6	160.7	59	0	0	0	0	108.6
64	F	28.7	Very low	31.3	Very low	194 Å²	194	157.2 Å²	157.2	85%	0.851	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-89	129.9	165.2	-107.1	-88.5	0	0	0	110.6	P62	P62-F64 PolarHBondContact O-N 3.22Å
65	S	27.5	Very low	32.2	Very low	91 Å²	91	156.6 Å²	156.6	64%	0.636	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-68.8	156.2	-169.7	46.9	0	0	0	0	113.3	T67	S65-T67 PolarHBondContact O-N 2.92Å
66	K	37.7	Very low	33.2	Very low	210 Å²	210	148.9 Å²	148.9	91%	0.913	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-49.5	125.2	163.1	-70.1	170.2	174.5	172	0	110.3
67	T	28.6	Very low	34.2	Very low	113 Å²	113	145.5 Å²	145.5	69%	0.693	78%	0.782	S	S	*	*			trans	-147.1	107.5	151.6	-32.1	0	0	0	0	110	S65	S65-T67 PolarHBondContact O-N 2.92Å
68	E	30.2	Very low	35.8	Very low	171 Å²	171	144.3 Å²	144.3	80%	0.799	78%	0.775	S	S	*	*			trans	57.7	91.3	145.1	-61.6	-176.4	150.3	0	0	119.7	R70	E68-R70 PolarHBondContact O-N 3.45Å
69	K	32.7	Very low	37.5	Very low	208 Å²	208	145.7 Å²	145.7	90%	0.904	77%	0.768	S	S	*	*			trans	-57.6	100.9	144.5	-75.6	-179.5	178	179	0	108.6	K71	K69-K71 PolarHBondContact O-N 3.48Å
70	R	33.3	Very low	39.4	Very low	242 Å²	242	148.6 Å²	148.6	91%	0.913	77%	0.766	S	S	*	*			trans	-56.5	106.2	156.3	-94.3	179	164.7	-179.1	-5.1	107.6	E68 Q72	E68-R70 PolarHBondContact O-N 3.45Å; R70-Q72 PolarHBondContact O-N 3.34Å
71	K	34.9	Very low	41.4	Very low	205 Å²	205	143.4 Å²	143.4	89%	0.891	75%	0.753	S	S	*	*			trans	-58	105.4	167.9	-78.5	178.7	175.3	177.3	0	107.8	K69	K69-K71 PolarHBondContact O-N 3.48Å
72	Q	41.1	Very low	43.6	Very low	173 Å²	173	136.3 Å²	136.3	81%	0.808	73%	0.733	S	S	*	*			trans	-68.8	150.5	154.3	-73.4	-178.8	1	0	0	108.3	R70 A74	R70-Q72 PolarHBondContact O-N 3.34Å; Q72-A74 PolarHBondContact O-N 3.35Å
73	P	41.3	Very low	45.8	Very low	126 Å²	126	136.8 Å²	136.8	82%	0.818	73%	0.726	S	S	*	*			trans	-62.4	127.5	-171.3	-16.3	29.3	0	0	0	111.2	G75	P73-G75 PolarHBondContact O-N 3.28Å
74	A	43.7	Very low	48.1	Very low	111 Å²	111	139.9 Å²	139.9	92%	0.917	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	30.8	-175	0	0	0	0	0	114.8	Q72	Q72-A74 PolarHBondContact O-N 3.35Å
75	G	43.4	Very low	50.7	Low	60 Å²	60	137.8 Å²	137.8	62%	0.619	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-13.8	-177.8	0	0	0	0	0	115.5	P73	P73-G75 PolarHBondContact O-N 3.28Å
76	G	44.1	Very low	53.4	Low	47 Å²	47	138.2 Å²	138.2	49%	0.485	70%	0.702	S	S	.	*	S	Bend	trans	-93.6	-25.5	-173.1	0	0	0	0	0	115.8	Q80	G76-Q80 WeakPolarHBondContact O-CB 3.36Å; G76-Q80 PolarHBondContact O-N 2.86Å
77	G	53.9	Low	55.5	Low	50 Å²	50	129.4 Å²	129.4	52%	0.515	66%	0.664	S	S	.	*	H	α-helix	trans	-72.4	-44.2	-173.1	0	0	0	0	0	114.2	Q80 Q81	G77-Q80 PolarHBondContact O-N 3.08Å; G77-Q81 WeakPolarHBondContact O-CB 3.42Å; G77-Q81 PolarHBondContact O-N 3.31Å
78	D	63.1	Low	58.2	Low	134 Å²	134	129.8 Å²	129.8	72%	0.717	66%	0.656	S	S	*	*	H	α-helix	trans	-67.4	-40.7	-177.9	-108.3	-13.9	0	0	0	112.4	Q81 A82	D78-Q81 PolarHBondContact O-N 3.35Å; D78-A82 WeakPolarHBondContact O-CB 3.46Å; D78-A82 PolarHBondContact O-N 3.24Å
79	R	62.2	Low	60.9	Low	191 Å²	191	125.2 Å²	125.2	72%	0.721	64%	0.638	S	S	*	*	H	α-helix	trans	-65.3	-43.9	179.2	-137.8	174.1	-174.2	160.4	0.9	111.2	Q81 A82 E83	R79-Q81 VanDerWaalsContact C-N 3.32Å; R79-Q81 PolarHBondContact O-N 3.02Å; R79-A82 PolarHBondContact O-N 3.37Å; R79-E83 WeakPolarHBondContact O-CG 3.41Å; R79-E83 PolarHBondContact O-N 3.38Å
80	Q	66.9	Low	63.5	Low	118 Å²	118	116.6 Å²	116.6	55%	0.551	60%	0.601	S	S	*	*	H	α-helix	trans	-71	-28.2	179.1	-155.1	168.4	64.6	0	0	112.5	G76 G77 R84	G76-Q80 WeakPolarHBondContact O-CB 3.36Å; G76-Q80 PolarHBondContact O-N 2.86Å; G77-Q80 PolarHBondContact O-N 3.08Å; Q80-R84 VanDerWaalsContact O-CG 3.28Å; Q80-R84 WeakPolarHBondContact O-CG 3.44Å; Q80-R84 PolarHBondContact O-N 2.89Å
81	Q	69.8	Low	66.1	Low	135 Å²	135	105.6 Å²	105.6	63%	0.631	56%	0.56	S	S	*	*	H	α-helix	trans	-75.4	-39.2	173.3	-171.3	168.6	-8.3	0	0	112.1	G77 D78 R79 R84 K85	G77-Q81 WeakPolarHBondContact O-CB 3.42Å; G77-Q81 PolarHBondContact O-N 3.31Å; D78-Q81 PolarHBondContact O-N 3.35Å; R79-Q81 VanDerWaalsContact C-N 3.32Å; R79-Q81 PolarHBondContact O-N 3.02Å; Q81-R84 PolarHBondContact O-N 3.18Å; Q81-K85 PolarHBondContact O-N 3Å; Q81-K85 VanDerWaalsContact O-N 3.12Å
82	A	74.8	Confident	68.7	Low	60 Å²	60	98 Å²	98	50%	0.496	53%	0.533	S	S	.	.	H	α-helix	trans	-62.8	-45.7	173.7	0	0	0	0	0	112	D78 R79 R84 K85 E86	D78-A82 WeakPolarHBondContact O-CB 3.46Å; D78-A82 PolarHBondContact O-N 3.24Å; R79-A82 PolarHBondContact O-N 3.37Å; A82-R84 VanDerWaalsContact C-N 3.32Å; A82-R84 PolarHBondContact O-N 2.99Å; A82-K85 WeakPolarHBondContact O-CB 3.37Å; A82-K85 PolarHBondContact O-N 3.21Å; A82-K85 VanDerWaalsContact O-N 3.13Å; A82-E86 PolarHBondContact O-N 3.14Å
83	E	74.9	Confident	71	Confident	114 Å²	114	97.5 Å²	97.5	53%	0.533	52%	0.524	S	S	.	.	H	α-helix	trans	-60.1	-39	176.4	-74.8	172.5	-178.5	0	0	112.7	R79 M87	R79-E83 WeakPolarHBondContact O-CG 3.41Å; R79-E83 PolarHBondContact O-N 3.38Å; E83-M87 WeakPolarHBondContact O-CB 3.45Å; E83-M87 PolarHBondContact O-N 3.02Å
84	R	76.9	Confident	73.3	Confident	185 Å²	185	91.5 Å²	91.5	70%	0.698	49%	0.485	S	S	*	.	H	α-helix	trans	-65.2	-39.3	175.2	-76.6	174.8	-173.6	-127	4.6	112.1	Q80 Q81 A82 F88	Q80-R84 VanDerWaalsContact O-CG 3.28Å; Q80-R84 WeakPolarHBondContact O-CG 3.44Å; Q80-R84 PolarHBondContact O-N 2.89Å; Q81-R84 PolarHBondContact O-N 3.18Å; A82-R84 VanDerWaalsContact C-N 3.32Å; A82-R84 PolarHBondContact O-N 2.99Å; R84-F88 WeakPolarHBondContact O-CB 3.15Å; R84-F88 PolarHBondContact O-N 2.72Å
85	K	82.9	Confident	75.5	Confident	149 Å²	149	89.5 Å²	89.5	65%	0.648	46%	0.456	S	S	*	.	H	α-helix	trans	-68.2	-44.1	178.2	-166	179.4	179.4	-175.3	0	110.9	Q81 A82 M87 F88 D89	Q81-K85 PolarHBondContact O-N 3Å; Q81-K85 VanDerWaalsContact O-N 3.12Å; A82-K85 WeakPolarHBondContact O-CB 3.37Å; A82-K85 PolarHBondContact O-N 3.21Å; A82-K85 VanDerWaalsContact O-N 3.13Å; K85-M87 PolarHBondContact O-N 3.28Å; K85-F88 WeakPolarHBondContact O-CB 3.42Å; K85-F88 PolarHBondContact O-N 3.41Å; K85-D89 PolarHBondContact O-N 2.7Å
86	E	84.3	Confident	77.7	Confident	101 Å²	101	89.5 Å²	89.5	47%	0.472	45%	0.449	S	S	.	.	H	α-helix	trans	-59	-47.1	174.6	-170.6	-165.9	154.7	0	0	111.4	A82 F88 D89 I90 K125	A82-E86 PolarHBondContact O-N 3.14Å; E86-F88 VanDerWaalsContact C-N 3.33Å; E86-F88 PolarHBondContact O-N 3.43Å; E86-D89 PolarHBondContact O-N 3.48Å; E86-I90 HydrophobicContact CG-CD1 4.19Å; E86-I90 WeakPolarHBondContact O-CG1 3.47Å; E86-I90 PolarHBondContact O-N 3.41Å; E86-K125 IonicContact OE1-NZ 3.66Å
87	M	82.6	Confident	79.8	Confident	24 Å²	24	87.5 Å²	87.5	12%	0.118	43%	0.428	C	S	.	.	H	α-helix	trans	-62.4	-40.1	177.3	-178.7	55.9	80.8	0	0	112.2	E83 K85 D89 I90 I91 K125 Q128	E83-M87 WeakPolarHBondContact O-CB 3.45Å; E83-M87 PolarHBondContact O-N 3.02Å; K85-M87 PolarHBondContact O-N 3.28Å; M87-D89 VanDerWaalsContact C-N 3.33Å; M87-D89 PolarHBondContact O-N 3.22Å; M87-I90 PolarHBondContact O-N 3.11Å; M87-I91 HydrophobicContact CG-CD1 3.75Å; M87-I91 HydrophobicContact CG-CG1 4.31Å; M87-I91 WeakPolarHBondContact O-CB 3.39Å; M87-I91 VanDerWaalsContact O-CG1 3.26Å; M87-I91 WeakPolarHBondContact O-CG1 3.49Å; M87-I91 PolarHBondContact O-N 2.91Å; M87-I91 HydrophobicContact SD-CD1 3.89Å; M87-I91 HydrophobicContact SD-CG1 3.94Å; M87-K125 HydrophobicContact CE-CB 4.12Å; M87-K125 HydrophobicContact CE-CD 3.96Å; M87-K125 HydrophobicContact CE-CG 4.36Å; M87-Q128 HydrophobicContact CE-CB 3.66Å; M87-Q128 HydrophobicContact CE-CG 4.19Å
88	F	85.8	Confident	81.4	Confident	121 Å²	121	87.4 Å²	87.4	53%	0.531	41%	0.412	S	S	.	.	H	α-helix	trans	-60.7	-42.6	176	177	-92.8	0	0	0	112.1	R84 K85 E86 I91 S92	R84-F88 WeakPolarHBondContact O-CB 3.15Å; R84-F88 PolarHBondContact O-N 2.72Å; K85-F88 WeakPolarHBondContact O-CB 3.42Å; K85-F88 PolarHBondContact O-N 3.41Å; E86-F88 VanDerWaalsContact C-N 3.33Å; E86-F88 PolarHBondContact O-N 3.43Å; F88-I91 PolarHBondContact O-N 3.31Å; F88-S92 WeakPolarHBondContact O-CB 3.41Å; F88-S92 PolarHBondContact O-N 3.47Å; F88-S92 PolarHBondContact O-OG 2.89Å
89	D	87.1	Confident	82.5	Confident	76 Å²	76	82.3 Å²	82.3	41%	0.406	39%	0.391	S	S	.	.	H	α-helix	trans	-66.2	-42.7	178.3	-70.1	-19.6	0	0	0	111.3	K85 E86 M87 S92 R93	K85-D89 PolarHBondContact O-N 2.7Å; E86-D89 PolarHBondContact O-N 3.48Å; M87-D89 VanDerWaalsContact C-N 3.33Å; M87-D89 PolarHBondContact O-N 3.22Å; D89-S92 PolarHBondContact O-N 3.36Å; D89-R93 WeakPolarHBondContact O-CG 3.38Å; D89-R93 PolarHBondContact O-N 2.89Å
90	I	87.4	Confident	83.6	Confident	26 Å²	26	76 Å²	76	13%	0.133	37%	0.371	C	S	.	.	H	α-helix	trans	-59.7	-49.9	174.7	-68.7	168.7	0	0	0	110.5	E86 M87 S92 R93 C94 L121	E86-I90 HydrophobicContact CG-CD1 4.19Å; E86-I90 WeakPolarHBondContact O-CG1 3.47Å; E86-I90 PolarHBondContact O-N 3.41Å; M87-I90 PolarHBondContact O-N 3.11Å; I90-S92 VanDerWaalsContact C-N 3.28Å; I90-S92 PolarHBondContact O-N 2.84Å; I90-R93 PolarHBondContact O-N 3.44Å; I90-C94 VanDerWaalsContact O-CB 3.31Å; I90-C94 WeakPolarHBondContact O-CB 3.43Å; I90-C94 PolarHBondContact O-N 3.39Å; I90-C94 PolarHBondContact O-SG 3.31Å; I90-L121 WeakPolarHBondContact CG2-O 3.38Å
91	I	87.4	Confident	84.3	Confident	11 Å²	11	70.6 Å²	70.6	6%	0.056	35%	0.347	C	S	.	.	H	α-helix	trans	-61.4	-39.2	179.5	-70.7	171.6	0	0	0	110.9	M87 F88 C94 K95 D134	M87-I91 HydrophobicContact CG-CD1 3.75Å; M87-I91 HydrophobicContact CG-CG1 4.31Å; M87-I91 WeakPolarHBondContact O-CB 3.39Å; M87-I91 VanDerWaalsContact O-CG1 3.26Å; M87-I91 WeakPolarHBondContact O-CG1 3.49Å; M87-I91 PolarHBondContact O-N 2.91Å; M87-I91 HydrophobicContact SD-CD1 3.89Å; M87-I91 HydrophobicContact SD-CG1 3.94Å; F88-I91 PolarHBondContact O-N 3.31Å; I91-C94 WeakPolarHBondContact O-CB 3.46Å; I91-C94 PolarHBondContact O-N 3Å; I91-K95 HydrophobicContact CG2-CD 4.11Å; I91-K95 VanDerWaalsContact CG2-CE 3.48Å; I91-K95 HydrophobicContact CG2-CG 4.44Å; I91-K95 WeakPolarHBondContact O-CG 3.16Å; I91-K95 PolarHBondContact O-N 3.24Å; I91-D134 WeakPolarHBondContact CG2-OD2 3.33Å
92	S	88.6	Confident	84.9	Confident	46 Å²	46	72.2 Å²	72.2	32%	0.322	35%	0.347	S	S	.	.	H	α-helix	trans	-64	-45.2	178.3	-63.9	0	0	0	0	111.8	F88 D89 I90 K95 A96	F88-S92 WeakPolarHBondContact O-CB 3.41Å; F88-S92 PolarHBondContact O-N 3.47Å; F88-S92 PolarHBondContact O-OG 2.89Å; D89-S92 PolarHBondContact O-N 3.36Å; I90-S92 VanDerWaalsContact C-N 3.28Å; I90-S92 PolarHBondContact O-N 2.84Å; S92-K95 PolarHBondContact O-N 2.89Å; S92-A96 PolarHBondContact O-N 3.49Å; S92-A96 VanDerWaalsContact O-N 3.15Å
93	R	89.9	Confident	85.3	Confident	163 Å²	163	76.9 Å²	76.9	62%	0.615	35%	0.352	S	S	*	.	H	α-helix	trans	-62.2	-45.9	173.4	-69	177.6	-173.6	-175.1	2.8	111.5	D89 I90 K95 A96 V97 L121	D89-R93 WeakPolarHBondContact O-CG 3.38Å; D89-R93 PolarHBondContact O-N 2.89Å; I90-R93 PolarHBondContact O-N 3.44Å; R93-K95 VanDerWaalsContact C-N 3.31Å; R93-K95 PolarHBondContact O-N 3.39Å; R93-A96 WeakPolarHBondContact O-CB 3.49Å; R93-A96 PolarHBondContact O-N 3.32Å; R93-A96 VanDerWaalsContact O-N 3.07Å; R93-V97 WeakPolarHBondContact O-CG2 3.39Å; R93-V97 PolarHBondContact O-N 3Å; R93-L121 HydrophobicContact CB-CD1 4.01Å
94	C	90.5	Very high	85	Confident	0 Å²	0	82 Å²	82	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-56.5	-42.2	176.4	-77.4	0	0	0	0	112.8	I90 I91 V97 W98 L118 M129 V138	I90-C94 VanDerWaalsContact O-CB 3.31Å; I90-C94 WeakPolarHBondContact O-CB 3.43Å; I90-C94 PolarHBondContact O-N 3.39Å; I90-C94 PolarHBondContact O-SG 3.31Å; I91-C94 WeakPolarHBondContact O-CB 3.46Å; I91-C94 PolarHBondContact O-N 3Å; C94-V97 PolarHBondContact O-N 3.17Å; C94-W98 WeakPolarHBondContact O-CB 3.5Å; C94-W98 PolarHBondContact O-N 3.35Å; C94-L118 HydrophobicContact CB-CD1 4.14Å; C94-M129 HydrophobicContact CB-CE 4.2Å; C94-V138 HydrophobicContact CB-CG1 3.99Å; C94-V138 HydrophobicContact CB-CG2 4.36Å
95	K	89.4	Confident	84.9	Confident	69 Å²	69	82.9 Å²	82.9	30%	0.3	38%	0.381	S	S	.	.	H	α-helix	trans	-64.6	-37.9	175.9	-76.1	169.6	-176.3	161.4	0	112.1	I91 S92 R93 G99 D134 V138	I91-K95 HydrophobicContact CG2-CD 4.11Å; I91-K95 VanDerWaalsContact CG2-CE 3.48Å; I91-K95 HydrophobicContact CG2-CG 4.44Å; I91-K95 WeakPolarHBondContact O-CG 3.16Å; I91-K95 PolarHBondContact O-N 3.24Å; S92-K95 PolarHBondContact O-N 2.89Å; R93-K95 VanDerWaalsContact C-N 3.31Å; R93-K95 PolarHBondContact O-N 3.39Å; K95-G99 PolarHBondContact O-N 3.47Å; K95-D134 WeakPolarHBondContact CE-O 3.49Å; K95-D134 IonicContact NZ-OD2 3.71Å; K95-D134 PolarHBondContact NZ-OD2 3.31Å; K95-V138 HydrophobicContact CG-CG2 4.33Å
96	A	88.6	Confident	84.5	Confident	59 Å²	59	77.1 Å²	77.1	49%	0.488	36%	0.359	S	S	.	.	H	α-helix	trans	-64.3	-48.6	176.3	0	0	0	0	0	111.3	S92 R93 W98 G99 N100	S92-A96 PolarHBondContact O-N 3.49Å; S92-A96 VanDerWaalsContact O-N 3.15Å; R93-A96 WeakPolarHBondContact O-CB 3.49Å; R93-A96 PolarHBondContact O-N 3.32Å; R93-A96 VanDerWaalsContact O-N 3.07Å; A96-W98 PolarHBondContact O-N 3.12Å; A96-G99 PolarHBondContact O-N 3.49Å; A96-N100 PolarHBondContact O-N 3.28Å
97	V	89.1	Confident	84.5	Confident	5 Å²	5	76.6 Å²	76.6	3%	0.03	36%	0.36	C	S	.	.	H	α-helix	trans	-59.9	-47.1	175.6	179.8	0	0	0	0	110.6	R93 C94 G99 N100 L101 L114 E117 L118 L121	R93-V97 WeakPolarHBondContact O-CG2 3.39Å; R93-V97 PolarHBondContact O-N 3Å; C94-V97 PolarHBondContact O-N 3.17Å; V97-G99 VanDerWaalsContact C-N 3.33Å; V97-G99 PolarHBondContact O-N 3.01Å; V97-N100 PolarHBondContact O-N 3.42Å; V97-L101 WeakPolarHBondContact O-CB 3.31Å; V97-L101 PolarHBondContact O-N 2.93Å; V97-L114 HydrophobicContact CG1-CB 4.13Å; V97-L114 HydrophobicContact CG1-CD2 4.03Å; V97-L114 WeakPolarHBondContact CG1-O 3.4Å; V97-E117 HydrophobicContact CG2-CG 4.18Å; V97-E117 VanDerWaalsContact CG2-OE1 3.29Å; V97-E117 WeakPolarHBondContact CG2-OE1 3.43Å; V97-L118 HydrophobicContact CG1-CB 3.94Å; V97-L121 HydrophobicContact CG2-CD1 4.21Å
98	W	87.6	Confident	84.5	Confident	48 Å²	48	79.3 Å²	79.3	18%	0.182	39%	0.386	C	S	.	.	H	α-helix	trans	-59	-40.3	175.9	172.8	67.9	0	0	0	113.2	C94 A96 N100 L101 R102 R137 V138 C141	C94-W98 WeakPolarHBondContact O-CB 3.5Å; C94-W98 PolarHBondContact O-N 3.35Å; A96-W98 PolarHBondContact O-N 3.12Å; W98-N100 VanDerWaalsContact C-N 3.28Å; W98-N100 PolarHBondContact O-N 3.36Å; W98-L101 PolarHBondContact O-N 3.31Å; W98-R102 PolarHBondContact O-N 3.01Å; W98-R137 HydrophobicContact CH2-CB 4.38Å; W98-R137 HydrophobicContact CZ2-CB 4.01Å; W98-V138 HydrophobicContact CB-CG1 4.39Å; W98-V138 HydrophobicContact CB-CG2 4Å; W98-V138 HydrophobicContact CD2-CG2 4.48Å; W98-V138 HydrophobicContact CG-CG2 4.15Å; W98-C141 VanDerWaalsContact CD1-CB 3.42Å; W98-C141 VanDerWaalsContact CD1-SG 3.55Å
99	G	86.3	Confident	84.5	Confident	27 Å²	27	81.3 Å²	81.3	28%	0.278	40%	0.397	S	S	.	.	H	α-helix	trans	-60.4	-37.4	178.1	0	0	0	0	0	112.8	K95 A96 V97	K95-G99 PolarHBondContact O-N 3.47Å; A96-G99 PolarHBondContact O-N 3.49Å; V97-G99 VanDerWaalsContact C-N 3.33Å; V97-G99 PolarHBondContact O-N 3.01Å
100	N	84.8	Confident	84.4	Confident	58 Å²	58	81.9 Å²	81.9	31%	0.31	40%	0.397	S	S	.	.	H	α-helix	trans	-74.4	-42.8	173.5	-68.4	-31.7	0	0	0	111.5	A96 V97 W98 R102 R103 L114	A96-N100 PolarHBondContact O-N 3.28Å; V97-N100 PolarHBondContact O-N 3.42Å; W98-N100 VanDerWaalsContact C-N 3.28Å; W98-N100 PolarHBondContact O-N 3.36Å; N100-R102 VanDerWaalsContact C-N 3.33Å; N100-R102 PolarHBondContact O-N 3.04Å; N100-R103 WeakPolarHBondContact O-CB 3.35Å; N100-R103 PolarHBondContact O-N 3.25Å; N100-R103 VanDerWaalsContact OD1-CZ 3.25Å; N100-R103 PolarHBondContact OD1-NH1 3.33Å; N100-R103 VanDerWaalsContact OD1-NH1 3.13Å; N100-R103 PolarHBondContact OD1-NH2 2.88Å; N100-L114 HydrophobicContact CB-CD1 3.98Å; N100-L114 HydrophobicContact CB-CD2 4.44Å
101	L	82.6	Confident	84.4	Confident	6 Å²	6	83.9 Å²	83.9	3%	0.031	41%	0.405	C	S	.	.	H	α-helix	trans	-65.1	-30.5	-175.1	-165	138.7	0	0	0	113.8	V97 W98 R103 L114 M115 C141 F145	V97-L101 WeakPolarHBondContact O-CB 3.31Å; V97-L101 PolarHBondContact O-N 2.93Å; W98-L101 PolarHBondContact O-N 3.31Å; L101-R103 VanDerWaalsContact C-N 3.32Å; L101-R103 PolarHBondContact O-N 3.3Å; L101-L114 HydrophobicContact CB-CD1 4.35Å; L101-L114 HydrophobicContact CD1-CB 3.83Å; L101-M115 HydrophobicContact CD1-CG 3.77Å; L101-M115 HydrophobicContact CD1-SD 3.54Å; L101-M115 VanDerWaalsContact CD1-SD 3.54Å; L101-M115 HydrophobicContact CD2-SD 4.4Å; L101-C141 WeakPolarHBondContact CD2-SG 3.46Å; L101-F145 HydrophobicContact CD2-CD2 3.3Å; L101-F145 HydrophobicContact CD2-CE2 3.67Å; L101-F145 HydrophobicContact CD2-CG 4.2Å
102	R	80.6	Confident	84.4	Confident	168 Å²	168	88 Å²	88	63%	0.634	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.3	179.1	95	176.4	-162.7	-163.2	2	114.6	W98 N100	W98-R102 PolarHBondContact O-N 3.01Å; N100-R102 VanDerWaalsContact C-N 3.33Å; N100-R102 PolarHBondContact O-N 3.04Å
103	R	84.1	Confident	84.4	Confident	158 Å²	158	93.4 Å²	93.4	60%	0.596	45%	0.448	S	S	*	.	S	Bend	trans	-68.8	138.2	-175.9	-67.2	179.7	-178.9	162.9	1.4	110.3	N100 L101 K105 C106	N100-R103 WeakPolarHBondContact O-CB 3.35Å; N100-R103 PolarHBondContact O-N 3.25Å; N100-R103 VanDerWaalsContact OD1-CZ 3.25Å; N100-R103 PolarHBondContact OD1-NH1 3.33Å; N100-R103 VanDerWaalsContact OD1-NH1 3.13Å; N100-R103 PolarHBondContact OD1-NH2 2.88Å; L101-R103 VanDerWaalsContact C-N 3.32Å; L101-R103 PolarHBondContact O-N 3.3Å; R103-K105 PolarHBondContact O-N 2.92Å; R103-K105 VanDerWaalsContact O-N 3.15Å; R103-C106 WeakPolarHBondContact O-CB 3.26Å; R103-C106 PolarHBondContact O-N 2.92Å
104	K	68	Low	84.5	Confident	222 Å²	222	86.3 Å²	86.3	97%	0.965	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.6	179.2	-75.1	-172.9	176.7	-177.8	0	114.4
105	K	75.1	Confident	84.6	Confident	203 Å²	203	86.7 Å²	86.7	88%	0.883	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	14.1	-179.6	-69.6	-170.7	176.1	-174.4	0	114.1	R103 D107	R103-K105 PolarHBondContact O-N 2.92Å; R103-K105 VanDerWaalsContact O-N 3.15Å; K105-D107 PolarHBondContact O-N 3.39Å
106	C	75.9	Confident	84.7	Confident	28 Å²	28	91.1 Å²	91.1	19%	0.189	44%	0.444	C	S	.	.			trans	-78	114.6	178.1	-167.3	0	0	0	0	109.6	R103	R103-C106 WeakPolarHBondContact O-CB 3.26Å; R103-C106 PolarHBondContact O-N 2.92Å
107	D	82.4	Confident	84.9	Confident	91 Å²	91	93.1 Å²	93.1	49%	0.487	44%	0.443	S	S	.	.			trans	-70.4	167.4	175.7	65.7	52.8	0	0	0	111.9	K105 E109 Q110 K111	K105-D107 PolarHBondContact O-N 3.39Å; D107-E109 VanDerWaalsContact C-N 3.31Å; D107-E109 PolarHBondContact O-N 3.38Å; D107-E109 PolarHBondContact OD1-N 3.45Å; D107-E109 VanDerWaalsContact OD1-N 3.16Å; D107-Q110 WeakPolarHBondContact OD1-CB 3.23Å; D107-Q110 PolarHBondContact OD1-N 2.79Å; D107-K111 WeakPolarHBondContact O-CB 3.3Å; D107-K111 PolarHBondContact O-N 3.33Å
108	A	83.7	Confident	85.1	Confident	80 Å²	80	92.9 Å²	92.9	66%	0.661	44%	0.442	S	S	*	.	H	α-helix	trans	-65.9	-32.4	-173.5	0	0	0	0	0	113.2	T112	A108-T112 PolarHBondContact O-N 3.32Å; A108-T112 VanDerWaalsContact O-N 3.08Å; A108-T112 PolarHBondContact O-OG1 2.88Å
109	E	85.4	Confident	85.4	Confident	163 Å²	163	92.4 Å²	92.4	76%	0.762	44%	0.441	S	S	*	.	H	α-helix	trans	-76.2	-48	-177.8	-169.3	175.6	-179.9	0	0	110.7	D107 K111 T112 K113	D107-E109 VanDerWaalsContact C-N 3.31Å; D107-E109 PolarHBondContact O-N 3.38Å; D107-E109 PolarHBondContact OD1-N 3.45Å; D107-E109 VanDerWaalsContact OD1-N 3.16Å; E109-K111 VanDerWaalsContact C-N 3.27Å; E109-K111 PolarHBondContact O-N 3.48Å; E109-T112 WeakPolarHBondContact O-CB 3.24Å; E109-T112 PolarHBondContact O-N 3.02Å; E109-T112 VanDerWaalsContact O-N 3.1Å; E109-K113 PolarHBondContact O-N 3.35Å
110	Q	85.4	Confident	85.7	Confident	89 Å²	89	94 Å²	94	42%	0.416	46%	0.457	S	S	.	.	H	α-helix	trans	-58.3	-41.7	172.9	-171.8	176.8	26.8	0	0	110.9	D107 T112 K113 L114	D107-Q110 WeakPolarHBondContact OD1-CB 3.23Å; D107-Q110 PolarHBondContact OD1-N 2.79Å; Q110-T112 VanDerWaalsContact C-N 3.34Å; Q110-T112 PolarHBondContact O-N 2.91Å; Q110-K113 PolarHBondContact O-N 3.26Å; Q110-L114 HydrophobicContact CG-CD1 3.94Å; Q110-L114 HydrophobicContact CG-CG 4.32Å; Q110-L114 WeakPolarHBondContact O-CB 3.32Å; Q110-L114 VanDerWaalsContact O-CG 3.24Å; Q110-L114 WeakPolarHBondContact O-CG 3.36Å; Q110-L114 PolarHBondContact O-N 2.73Å
111	K	86.4	Confident	86	Confident	67 Å²	67	93 Å²	93	29%	0.291	45%	0.451	S	S	.	.	H	α-helix	trans	-61.9	-41.8	175.5	-174.6	173.8	177.1	-174.6	0	112.1	D107 E109 M115	D107-K111 WeakPolarHBondContact O-CB 3.3Å; D107-K111 PolarHBondContact O-N 3.33Å; E109-K111 VanDerWaalsContact C-N 3.27Å; E109-K111 PolarHBondContact O-N 3.48Å; K111-M115 VanDerWaalsContact O-CB 3.31Å; K111-M115 WeakPolarHBondContact O-CB 3.38Å; K111-M115 WeakPolarHBondContact O-CG 3.28Å; K111-M115 PolarHBondContact O-N 3.23Å
112	T	88.1	Confident	86.5	Confident	99 Å²	99	92.7 Å²	92.7	61%	0.607	45%	0.45	S	S	*	.	H	α-helix	trans	-63.9	-43.8	176.9	-58.4	0	0	0	0	111.2	A108 E109 Q110 M115 K116	A108-T112 PolarHBondContact O-N 3.32Å; A108-T112 VanDerWaalsContact O-N 3.08Å; A108-T112 PolarHBondContact O-OG1 2.88Å; E109-T112 WeakPolarHBondContact O-CB 3.24Å; E109-T112 PolarHBondContact O-N 3.02Å; E109-T112 VanDerWaalsContact O-N 3.1Å; Q110-T112 VanDerWaalsContact C-N 3.34Å; Q110-T112 PolarHBondContact O-N 2.91Å; T112-M115 PolarHBondContact O-N 3.33Å; T112-K116 PolarHBondContact O-N 3.41Å
113	K	89.8	Confident	87.1	Confident	159 Å²	159	92.6 Å²	92.6	69%	0.691	45%	0.45	S	S	*	.	H	α-helix	trans	-61.6	-49.8	176.3	-173.6	176.9	179.6	177.4	0	112	E109 Q110 M115 K116 E117	E109-K113 PolarHBondContact O-N 3.35Å; Q110-K113 PolarHBondContact O-N 3.26Å; K113-M115 VanDerWaalsContact C-N 3.32Å; K113-M115 PolarHBondContact O-N 3.01Å; K113-K116 PolarHBondContact O-N 3.25Å; K113-E117 PolarHBondContact O-N 3.22Å
114	L	90.8	Very high	87.4	Confident	14 Å²	14	87.6 Å²	87.6	7%	0.073	45%	0.447	C	S	.	.	H	α-helix	trans	-64.1	-35.8	178.5	-68.9	171.2	0	0	0	112	V97 N100 L101 Q110 L118	V97-L114 HydrophobicContact CG1-CB 4.13Å; V97-L114 HydrophobicContact CG1-CD2 4.03Å; V97-L114 WeakPolarHBondContact CG1-O 3.4Å; N100-L114 HydrophobicContact CB-CD1 3.98Å; N100-L114 HydrophobicContact CB-CD2 4.44Å; L101-L114 HydrophobicContact CB-CD1 4.35Å; L101-L114 HydrophobicContact CD1-CB 3.83Å; Q110-L114 HydrophobicContact CG-CD1 3.94Å; Q110-L114 HydrophobicContact CG-CG 4.32Å; Q110-L114 WeakPolarHBondContact O-CB 3.32Å; Q110-L114 VanDerWaalsContact O-CG 3.24Å; Q110-L114 WeakPolarHBondContact O-CG 3.36Å; Q110-L114 PolarHBondContact O-N 2.73Å; L114-L118 WeakPolarHBondContact O-CB 3.39Å; L114-L118 PolarHBondContact O-N 3.46Å
115	M	92.3	Very high	88.5	Confident	8 Å²	8	79.9 Å²	79.9	4%	0.039	41%	0.414	C	S	.	.	H	α-helix	trans	-66.1	-39.7	174	-78.3	-60.6	-63.7	0	0	112.1	L101 K111 T112 K113 L118 H119 F142 F145	L101-M115 HydrophobicContact CD1-CG 3.77Å; L101-M115 HydrophobicContact CD1-SD 3.54Å; L101-M115 VanDerWaalsContact CD1-SD 3.54Å; L101-M115 HydrophobicContact CD2-SD 4.4Å; K111-M115 VanDerWaalsContact O-CB 3.31Å; K111-M115 WeakPolarHBondContact O-CB 3.38Å; K111-M115 WeakPolarHBondContact O-CG 3.28Å; K111-M115 PolarHBondContact O-N 3.23Å; T112-M115 PolarHBondContact O-N 3.33Å; K113-M115 VanDerWaalsContact C-N 3.32Å; K113-M115 PolarHBondContact O-N 3.01Å; M115-L118 PolarHBondContact O-N 2.88Å; M115-H119 VanDerWaalsContact O-CB 3.28Å; M115-H119 WeakPolarHBondContact O-CB 3.37Å; M115-H119 PolarHBondContact O-N 2.71Å; M115-F142 HydrophobicContact CE-CD2 3.3Å; M115-F142 HydrophobicContact CE-CE2 3.49Å; M115-F142 VanDerWaalsContact CE-CE2 3.49Å; M115-F142 HydrophobicContact CE-CG 4.07Å; M115-F142 HydrophobicContact CE-CZ 4.38Å; M115-F142 WeakPolarHBondContact CE-O 3.18Å; M115-F142 HydrophobicContact SD-CD2 4.13Å; M115-F145 HydrophobicContact CE-CB 4.3Å; M115-F145 HydrophobicContact SD-CB 3.9Å
116	K	92.4	Very high	89.4	Confident	162 Å²	162	70.2 Å²	70.2	70%	0.704	37%	0.372	S	S	*	.	H	α-helix	trans	-65.9	-44.1	176.2	-173.4	178.4	179.8	-180	0	111.5	T112 K113 H119 G120	T112-K116 PolarHBondContact O-N 3.41Å; K113-K116 PolarHBondContact O-N 3.25Å; K116-H119 PolarHBondContact O-N 2.92Å; K116-G120 PolarHBondContact O-N 3.37Å; K116-G120 VanDerWaalsContact O-N 3.16Å
117	E	92.5	Very high	90.1	Very high	101 Å²	101	73.5 Å²	73.5	47%	0.472	38%	0.383	S	S	.	.	H	α-helix	trans	-60.3	-48.7	173.9	-176.3	-176.4	166.9	0	0	111	V97 K113 H119 G120 L121	V97-E117 HydrophobicContact CG2-CG 4.18Å; V97-E117 VanDerWaalsContact CG2-OE1 3.29Å; V97-E117 WeakPolarHBondContact CG2-OE1 3.43Å; K113-E117 PolarHBondContact O-N 3.22Å; E117-H119 VanDerWaalsContact C-N 3.31Å; E117-H119 PolarHBondContact O-N 3.4Å; E117-G120 PolarHBondContact O-N 3.44Å; E117-L121 WeakPolarHBondContact O-CG 3.45Å; E117-L121 PolarHBondContact O-N 3.14Å
118	L	92.9	Very high	90.4	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-61.2	-41.8	179.2	-174.5	56.9	0	0	0	111.7	C94 V97 L114 M115 G120 L121 I122 V138 F142	C94-L118 HydrophobicContact CB-CD1 4.14Å; V97-L118 HydrophobicContact CG1-CB 3.94Å; L114-L118 WeakPolarHBondContact O-CB 3.39Å; L114-L118 PolarHBondContact O-N 3.46Å; M115-L118 PolarHBondContact O-N 2.88Å; L118-G120 VanDerWaalsContact C-N 3.33Å; L118-G120 PolarHBondContact O-N 3.39Å; L118-L121 PolarHBondContact O-N 2.88Å; L118-I122 HydrophobicContact CD1-CG2 3.86Å; L118-I122 HydrophobicContact CG-CG2 4.33Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 WeakPolarHBondContact O-CG2 3.38Å; L118-I122 PolarHBondContact O-N 3.34Å; L118-I122 VanDerWaalsContact O-N 3.1Å; L118-V138 HydrophobicContact CD1-CG1 3.55Å; L118-V138 HydrophobicContact CD2-CG1 3.98Å; L118-V138 HydrophobicContact CG-CG1 4.31Å; L118-F142 HydrophobicContact CB-CD2 4.44Å; L118-F142 HydrophobicContact CD2-CB 4.13Å; L118-F142 HydrophobicContact CD2-CD2 4.01Å; L118-F142 HydrophobicContact CG-CD2 4.07Å
119	H	93.5	Very high	90.7	Very high	38 Å²	38	70.9 Å²	70.9	18%	0.176	35%	0.354	C	S	.	.	H	α-helix	trans	-56.7	-46.8	176.8	-169.9	-175	0	0	0	111.4	M115 K116 E117 L121 I122 R123 F142 E153	M115-H119 VanDerWaalsContact O-CB 3.28Å; M115-H119 WeakPolarHBondContact O-CB 3.37Å; M115-H119 PolarHBondContact O-N 2.71Å; K116-H119 PolarHBondContact O-N 2.92Å; E117-H119 VanDerWaalsContact C-N 3.31Å; E117-H119 PolarHBondContact O-N 3.4Å; H119-L121 VanDerWaalsContact C-N 3.29Å; H119-L121 PolarHBondContact O-N 3.27Å; H119-I122 PolarHBondContact O-N 2.61Å; H119-R123 WeakPolarHBondContact O-CB 3.42Å; H119-R123 PolarHBondContact O-N 2.87Å; H119-R123 VanDerWaalsContact O-N 3.16Å; H119-F142 HydrophobicContact CB-CE2 3.67Å; H119-F142 HydrophobicContact CB-CZ 3.81Å; H119-F142 AromaticContact CD2-CZ 3.77Å; H119-F142 AromaticContact CG-CZ 3.71Å; H119-E153 IonicContact CD2-OE2 2.78Å; H119-E153 IonicContact CE1-OE2 3.01Å; H119-E153 PolarHBondContact CE1-OE2 2.9Å; H119-E153 IonicContact NE2-OE1 2.7Å; H119-E153 IonicContact NE2-OE2 3.29Å; H119-E153 PolarHBondContact NE2-OE2 2.93Å
120	G	92.8	Very high	90.9	Very high	59 Å²	59	63.1 Å²	63.1	61%	0.608	32%	0.318	S	S	*	.	H	α-helix	trans	-61.2	-36.1	177.6	0	0	0	0	0	113.4	K116 E117 L118	K116-G120 PolarHBondContact O-N 3.37Å; K116-G120 VanDerWaalsContact O-N 3.16Å; E117-G120 PolarHBondContact O-N 3.44Å; L118-G120 VanDerWaalsContact C-N 3.33Å; L118-G120 PolarHBondContact O-N 3.39Å
121	L	91.7	Very high	91.1	Very high	37 Å²	37	61.8 Å²	61.8	19%	0.194	31%	0.311	C	S	.	.	H	α-helix	trans	-73.9	-34.2	180	-67.9	173.2	0	0	0	113.7	I90 R93 V97 E117 L118 H119	I90-L121 WeakPolarHBondContact CG2-O 3.38Å; R93-L121 HydrophobicContact CB-CD1 4.01Å; V97-L121 HydrophobicContact CG2-CD1 4.21Å; E117-L121 WeakPolarHBondContact O-CG 3.45Å; E117-L121 PolarHBondContact O-N 3.14Å; L118-L121 PolarHBondContact O-N 2.88Å; H119-L121 VanDerWaalsContact C-N 3.29Å; H119-L121 PolarHBondContact O-N 3.27Å
122	I	92.6	Very high	91.1	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-94.2	-18	-172.5	69.1	178.3	0	0	0	114	L118 H119 G124 K125 M126 M129 L139 F142	L118-I122 HydrophobicContact CD1-CG2 3.86Å; L118-I122 HydrophobicContact CG-CG2 4.33Å; L118-I122 WeakPolarHBondContact O-CG1 3.4Å; L118-I122 WeakPolarHBondContact O-CG2 3.38Å; L118-I122 PolarHBondContact O-N 3.34Å; L118-I122 VanDerWaalsContact O-N 3.1Å; H119-I122 PolarHBondContact O-N 2.61Å; I122-G124 PolarHBondContact O-N 3.33Å; I122-K125 CarbonylContact O-C 3.53Å; I122-K125 PolarHBondContact O-N 3.43Å; I122-M126 HydrophobicContact CB-CG 4.45Å; I122-M126 HydrophobicContact CD1-CE 4.44Å; I122-M126 HydrophobicContact CG1-CE 4.21Å; I122-M126 HydrophobicContact CG1-CG 4.38Å; I122-M126 VanDerWaalsContact O-CG 3.24Å; I122-M126 WeakPolarHBondContact O-CG 3.23Å; I122-M126 PolarHBondContact O-N 2.97Å; I122-M129 HydrophobicContact CB-SD 3.84Å; I122-M129 HydrophobicContact CG2-CE 3.75Å; I122-M129 HydrophobicContact CG2-SD 3.56Å; I122-M129 VanDerWaalsContact CG2-SD 3.56Å; I122-L139 HydrophobicContact CD1-CD1 4.08Å; I122-F142 HydrophobicContact CD1-CB 4.05Å; I122-F142 HydrophobicContact CD1-CD1 3.45Å; I122-F142 VanDerWaalsContact CD1-CD1 3.45Å; I122-F142 HydrophobicContact CD1-CD2 3.73Å; I122-F142 HydrophobicContact CD1-CE1 3.73Å; I122-F142 HydrophobicContact CD1-CE2 4.01Å; I122-F142 HydrophobicContact CD1-CG 3.44Å; I122-F142 VanDerWaalsContact CD1-CG 3.44Å; I122-F142 HydrophobicContact CD1-CZ 4Å
123	R	92.8	Very high	91	Very high	166 Å²	166	61.3 Å²	61.3	63%	0.626	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	128.3	-175	-167.8	179.8	-164.4	-160.3	-0.8	111.4	H119 K125 E153	H119-R123 WeakPolarHBondContact O-CB 3.42Å; H119-R123 PolarHBondContact O-N 2.87Å; H119-R123 VanDerWaalsContact O-N 3.16Å; R123-K125 PolarHBondContact O-N 3.26Å; R123-E153 IonicContact CZ-OE1 3.44Å; R123-E153 IonicContact NE-OE1 2.7Å; R123-E153 PolarHBondContact NE-OE1 2.94Å; R123-E153 IonicContact NH2-OE1 3.41Å; R123-E153 PolarHBondContact NH2-OE1 2.93Å
124	G	91.1	Very high	90.7	Very high	53 Å²	53	56.9 Å²	56.9	55%	0.546	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	2.3	-177.6	0	0	0	0	0	114.6	I122 E157	I122-G124 PolarHBondContact O-N 3.33Å; G124-E157 VanDerWaalsContact C-OE1 3.24Å; G124-E157 WeakPolarHBondContact CA-OE1 3.35Å; G124-E157 WeakPolarHBondContact CA-OE2 3.31Å; G124-E157 PolarHBondContact N-OE2 2.7Å
125	K	91.3	Very high	90.6	Very high	60 Å²	60	56.2 Å²	56.2	26%	0.261	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	1.9	179.4	-57.1	-63	-175.1	171.7	0	112	E86 M87 I122 R123 K127 Q128 M129 E157	E86-K125 IonicContact OE1-NZ 3.66Å; M87-K125 HydrophobicContact CE-CB 4.12Å; M87-K125 HydrophobicContact CE-CD 3.96Å; M87-K125 HydrophobicContact CE-CG 4.36Å; I122-K125 CarbonylContact O-C 3.53Å; I122-K125 PolarHBondContact O-N 3.43Å; R123-K125 PolarHBondContact O-N 3.26Å; K125-K127 VanDerWaalsContact C-N 3.33Å; K125-K127 PolarHBondContact O-N 3.1Å; K125-Q128 PolarHBondContact O-N 3.1Å; K125-M129 WeakPolarHBondContact O-CG 3.49Å; K125-M129 PolarHBondContact O-N 2.93Å; K125-E157 PolarHBondContact N-OE1 2.99Å
126	M	92.9	Very high	90.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-37.5	-172.2	-52.9	-171.2	-159.6	0	0	111.8	I122 Q128 M129 A130 L139 E153 V154 E157 L158	I122-M126 HydrophobicContact CB-CG 4.45Å; I122-M126 HydrophobicContact CD1-CE 4.44Å; I122-M126 HydrophobicContact CG1-CE 4.21Å; I122-M126 HydrophobicContact CG1-CG 4.38Å; I122-M126 VanDerWaalsContact O-CG 3.24Å; I122-M126 WeakPolarHBondContact O-CG 3.23Å; I122-M126 PolarHBondContact O-N 2.97Å; M126-Q128 PolarHBondContact O-N 3.08Å; M126-M129 PolarHBondContact O-N 3.42Å; M126-A130 WeakPolarHBondContact O-CB 3.19Å; M126-A130 PolarHBondContact O-N 3.33Å; M126-L139 HydrophobicContact CB-CD1 4.26Å; M126-L139 HydrophobicContact CB-CD2 4.29Å; M126-L139 HydrophobicContact CG-CD1 4.27Å; M126-L139 HydrophobicContact SD-CD1 4.28Å; M126-E153 HydrophobicContact CE-CG 4.39Å; M126-V154 HydrophobicContact CE-CG2 4.14Å; M126-V154 HydrophobicContact SD-CB 3.89Å; M126-V154 HydrophobicContact SD-CG1 4.07Å; M126-V154 HydrophobicContact SD-CG2 3.48Å; M126-V154 WeakPolarHBondContact SD-CG2 3.48Å; M126-E157 WeakPolarHBondContact CA-OE1 3.16Å; M126-E157 HydrophobicContact CB-CG 4.46Å; M126-E157 VanDerWaalsContact CB-OE1 3.24Å; M126-E157 WeakPolarHBondContact CB-OE1 3.3Å; M126-E157 WeakPolarHBondContact CG-OE2 3.37Å; M126-E157 PolarHBondContact N-OE1 3.2Å; M126-L158 HydrophobicContact CB-CD2 4.28Å
127	K	91.5	Very high	90.5	Very high	98 Å²	98	56.3 Å²	56.3	43%	0.426	28%	0.284	S	S	.	.	H	α-helix	trans	-58.4	-49.7	175.2	-178.5	170.5	176.2	166.4	0	111.5	K125 M129 A130 F131 L158 S161	K125-K127 VanDerWaalsContact C-N 3.33Å; K125-K127 PolarHBondContact O-N 3.1Å; K127-M129 VanDerWaalsContact C-N 3.31Å; K127-M129 PolarHBondContact O-N 3.05Å; K127-A130 PolarHBondContact O-N 3.48Å; K127-F131 HydrophobicContact CG-CD2 4.49Å; K127-F131 HydrophobicContact CG-CE2 4.35Å; K127-F131 VanDerWaalsContact O-CD2 3.32Å; K127-F131 WeakPolarHBondContact O-CD2 3.32Å; K127-L158 VanDerWaalsContact CA-CD2 3.47Å; K127-L158 HydrophobicContact CB-CD2 3.98Å; K127-S161 WeakPolarHBondContact CE-OG 3.29Å; K127-S161 PolarHBondContact NZ-OG 3.28Å
128	Q	89.1	Confident	90.5	Very high	116 Å²	116	51.5 Å²	51.5	54%	0.542	26%	0.261	S	S	.	.	H	α-helix	trans	-63	-40.5	179.8	-58.7	-175.5	23	0	0	110.9	M87 K125 M126 A130 F131 A132	M87-Q128 HydrophobicContact CE-CB 3.66Å; M87-Q128 HydrophobicContact CE-CG 4.19Å; K125-Q128 PolarHBondContact O-N 3.1Å; M126-Q128 PolarHBondContact O-N 3.08Å; Q128-A130 PolarHBondContact O-N 3.32Å; Q128-F131 PolarHBondContact O-N 3.48Å; Q128-A132 WeakPolarHBondContact O-CB 3.44Å; Q128-A132 PolarHBondContact O-N 2.92Å
129	M	90	Very high	90.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-31.6	176.3	-65.6	-178.6	77.5	0	0	113.8	C94 I122 K125 M126 K127 F131 A132 S135 V136 V138	C94-M129 HydrophobicContact CB-CE 4.2Å; I122-M129 HydrophobicContact CB-SD 3.84Å; I122-M129 HydrophobicContact CG2-CE 3.75Å; I122-M129 HydrophobicContact CG2-SD 3.56Å; I122-M129 VanDerWaalsContact CG2-SD 3.56Å; K125-M129 WeakPolarHBondContact O-CG 3.49Å; K125-M129 PolarHBondContact O-N 2.93Å; M126-M129 PolarHBondContact O-N 3.42Å; K127-M129 VanDerWaalsContact C-N 3.31Å; K127-M129 PolarHBondContact O-N 3.05Å; M129-F131 VanDerWaalsContact C-N 3.27Å; M129-F131 PolarHBondContact O-N 3.48Å; M129-A132 PolarHBondContact O-N 3.39Å; M129-S135 WeakPolarHBondContact CA-OG 3.17Å; M129-S135 PolarHBondContact O-OG 3.37Å; M129-V136 PolarHBondContact O-N 2.91Å; M129-V138 HydrophobicContact CE-CB 4.17Å; M129-V138 HydrophobicContact CE-CG1 4.12Å
130	A	89.9	Confident	90.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.2	-28.6	-179.8	0	0	0	0	0	112.8	M126 K127 Q128 L139 L158 M165 I174	M126-A130 WeakPolarHBondContact O-CB 3.19Å; M126-A130 PolarHBondContact O-N 3.33Å; K127-A130 PolarHBondContact O-N 3.48Å; Q128-A130 PolarHBondContact O-N 3.32Å; A130-L139 HydrophobicContact CB-CD2 3.93Å; A130-L158 HydrophobicContact CB-CD2 4.27Å; A130-M165 HydrophobicContact CB-CE 3.74Å; A130-M165 HydrophobicContact CB-SD 4.05Å; A130-I174 HydrophobicContact CB-CG1 4.2Å
131	F	88.1	Confident	90.6	Very high	61 Å²	61	49.1 Å²	49.1	27%	0.268	24%	0.235	S	C	.	.	H	α-helix	trans	-95.6	-15.6	177.9	-71.6	-82.5	0	0	0	113.8	K127 Q128 M129 E164 M165	K127-F131 HydrophobicContact CG-CD2 4.49Å; K127-F131 HydrophobicContact CG-CE2 4.35Å; K127-F131 VanDerWaalsContact O-CD2 3.32Å; K127-F131 WeakPolarHBondContact O-CD2 3.32Å; Q128-F131 PolarHBondContact O-N 3.48Å; M129-F131 VanDerWaalsContact C-N 3.27Å; M129-F131 PolarHBondContact O-N 3.48Å; F131-E164 HydrophobicContact CE1-CG 3.97Å; F131-E164 HydrophobicContact CZ-CB 4.22Å; F131-E164 HydrophobicContact CZ-CG 3.84Å; F131-M165 HydrophobicContact CE1-CG 4.01Å; F131-M165 HydrophobicContact CE2-CG 3.63Å; F131-M165 HydrophobicContact CE2-SD 4.36Å; F131-M165 HydrophobicContact CZ-CB 4.34Å; F131-M165 HydrophobicContact CZ-CG 3.33Å
132	A	87.3	Confident	90.8	Very high	27 Å²	27	47.4 Å²	47.4	22%	0.223	23%	0.226	C	C	.	.			trans	-83.8	125.2	-179.2	0	0	0	0	0	112.7	Q128 M129 D134 S135 V136	Q128-A132 WeakPolarHBondContact O-CB 3.44Å; Q128-A132 PolarHBondContact O-N 2.92Å; M129-A132 PolarHBondContact O-N 3.39Å; A132-D134 PolarHBondContact O-N 2.81Å; A132-D134 VanDerWaalsContact O-N 3.15Å; A132-S135 VanDerWaalsContact CB-OG 3.31Å; A132-S135 WeakPolarHBondContact CB-OG 3.4Å; A132-S135 PolarHBondContact O-N 3.06Å; A132-V136 PolarHBondContact O-N 3.19Å; A132-V136 VanDerWaalsContact O-N 3.08Å
133	H	84.8	Confident	90.9	Very high	129 Å²	129	47.4 Å²	47.4	60%	0.597	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-36.2	-177.5	171.3	-96.2	0	0	0	113.3	Y170	H133-Y170 HydrophobicContact CB-CD2 4.48Å; H133-Y170 HydrophobicContact CB-CE1 4.46Å; H133-Y170 HydrophobicContact CB-CE2 4.05Å; H133-Y170 AromaticContact CD2-CE1 3.4Å; H133-Y170 VanDerWaalsContact CD2-CE1 3.4Å; H133-Y170 WeakPolarHBondContact CD2-CE1 3.49Å; H133-Y170 AromaticContact CD2-CZ 3.47Å; H133-Y170 VanDerWaalsContact CD2-CZ 3.47Å; H133-Y170 PolarHBondContact CD2-OH 3.28Å
134	D	84.5	Confident	91	Very high	66 Å²	66	42.5 Å²	42.5	35%	0.353	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-13	-169.8	73.4	-32.1	0	0	0	113.9	I91 K95 A132	I91-D134 WeakPolarHBondContact CG2-OD2 3.33Å; K95-D134 WeakPolarHBondContact CE-O 3.49Å; K95-D134 IonicContact NZ-OD2 3.71Å; K95-D134 PolarHBondContact NZ-OD2 3.31Å; A132-D134 PolarHBondContact O-N 2.81Å; A132-D134 VanDerWaalsContact O-N 3.15Å
135	S	89.1	Confident	91	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-14	-179.3	58.9	0	0	0	0	114.3	M129 A132 R137 V138 L139	M129-S135 WeakPolarHBondContact CA-OG 3.17Å; M129-S135 PolarHBondContact O-OG 3.37Å; A132-S135 VanDerWaalsContact CB-OG 3.31Å; A132-S135 WeakPolarHBondContact CB-OG 3.4Å; A132-S135 PolarHBondContact O-N 3.06Å; S135-R137 PolarHBondContact O-N 3.25Å; S135-R137 VanDerWaalsContact O-N 3.07Å; S135-V138 VanDerWaalsContact O-CB 3.27Å; S135-V138 WeakPolarHBondContact O-CB 3.41Å; S135-V138 PolarHBondContact O-N 2.72Å; S135-L139 PolarHBondContact O-N 2.98Å
136	V	91.1	Very high	91.1	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-52.9	-36.4	179.4	71.3	0	0	0	0	113.5	M129 A132 V138 L139 Q140 I174	M129-V136 PolarHBondContact O-N 2.91Å; A132-V136 PolarHBondContact O-N 3.19Å; A132-V136 VanDerWaalsContact O-N 3.08Å; V136-V138 VanDerWaalsContact C-N 3.31Å; V136-V138 PolarHBondContact O-N 2.9Å; V136-L139 PolarHBondContact O-N 3.19Å; V136-Q140 VanDerWaalsContact O-CG 3.32Å; V136-Q140 WeakPolarHBondContact O-CG 3.4Å; V136-Q140 PolarHBondContact O-N 3.22Å; V136-I174 HydrophobicContact CG2-CD1 3.83Å; V136-I174 HydrophobicContact CG2-CG1 3.83Å
137	R	91.2	Very high	91.1	Very high	164 Å²	164	44.8 Å²	44.8	62%	0.619	21%	0.211	S	C	*	.	H	α-helix	trans	-68.9	-29.5	179.6	-71.4	-173.9	179.9	151.9	1.3	113.1	W98 S135 C141	W98-R137 HydrophobicContact CH2-CB 4.38Å; W98-R137 HydrophobicContact CZ2-CB 4.01Å; S135-R137 PolarHBondContact O-N 3.25Å; S135-R137 VanDerWaalsContact O-N 3.07Å; R137-C141 WeakPolarHBondContact O-CB 3.48Å; R137-C141 PolarHBondContact O-N 3.33Å; R137-C141 VanDerWaalsContact O-N 3.13Å
138	V	93	Very high	91.2	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-50.8	174.8	178.4	0	0	0	0	108.9	C94 K95 W98 L118 M129 S135 V136 Q140 C141 F142	C94-V138 HydrophobicContact CB-CG1 3.99Å; C94-V138 HydrophobicContact CB-CG2 4.36Å; K95-V138 HydrophobicContact CG-CG2 4.33Å; W98-V138 HydrophobicContact CB-CG1 4.39Å; W98-V138 HydrophobicContact CB-CG2 4Å; W98-V138 HydrophobicContact CD2-CG2 4.48Å; W98-V138 HydrophobicContact CG-CG2 4.15Å; L118-V138 HydrophobicContact CD1-CG1 3.55Å; L118-V138 HydrophobicContact CD2-CG1 3.98Å; L118-V138 HydrophobicContact CG-CG1 4.31Å; M129-V138 HydrophobicContact CE-CB 4.17Å; M129-V138 HydrophobicContact CE-CG1 4.12Å; S135-V138 VanDerWaalsContact O-CB 3.27Å; S135-V138 WeakPolarHBondContact O-CB 3.41Å; S135-V138 PolarHBondContact O-N 2.72Å; V136-V138 VanDerWaalsContact C-N 3.31Å; V136-V138 PolarHBondContact O-N 2.9Å; V138-Q140 PolarHBondContact O-N 3.05Å; V138-C141 WeakPolarHBondContact O-CA 3.24Å; V138-C141 VanDerWaalsContact O-CB 3.25Å; V138-C141 WeakPolarHBondContact O-CB 3.45Å; V138-C141 PolarHBondContact O-N 3.32Å; V138-F142 PolarHBondContact O-N 2.96Å
139	L	94.5	Very high	91.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.1	-38	-178.8	-171.2	61.9	0	0	0	112	I122 M126 A130 S135 V136 C141 F142 I143 V154 L158 I174	I122-L139 HydrophobicContact CD1-CD1 4.08Å; M126-L139 HydrophobicContact CB-CD1 4.26Å; M126-L139 HydrophobicContact CB-CD2 4.29Å; M126-L139 HydrophobicContact CG-CD1 4.27Å; M126-L139 HydrophobicContact SD-CD1 4.28Å; A130-L139 HydrophobicContact CB-CD2 3.93Å; S135-L139 PolarHBondContact O-N 2.98Å; V136-L139 PolarHBondContact O-N 3.19Å; L139-C141 VanDerWaalsContact C-N 3.27Å; L139-C141 PolarHBondContact O-N 3.24Å; L139-F142 PolarHBondContact O-N 3.23Å; L139-I143 HydrophobicContact CG-CD1 4.42Å; L139-I143 WeakPolarHBondContact O-CG1 3.35Å; L139-I143 PolarHBondContact O-N 3.13Å; L139-V154 HydrophobicContact CD1-CG1 4.25Å; L139-V154 HydrophobicContact CD1-CG2 4.49Å; L139-L158 HydrophobicContact CD2-CD1 4.24Å; L139-I174 HydrophobicContact CB-CD1 3.76Å; L139-I174 HydrophobicContact CD2-CD1 3.84Å; L139-I174 HydrophobicContact CD2-CG1 4.22Å; L139-I174 HydrophobicContact CD2-CG2 4.19Å; L139-I174 HydrophobicContact CG-CD1 3.81Å
140	Q	94.4	Very high	91.7	Very high	37 Å²	37	49.8 Å²	49.8	17%	0.173	23%	0.233	C	C	.	.	H	α-helix	trans	-57.9	-39.7	171.2	-71.2	178.6	55.1	0	0	112.8	V136 V138 Q144 H173 I174 K177	V136-Q140 VanDerWaalsContact O-CG 3.32Å; V136-Q140 WeakPolarHBondContact O-CG 3.4Å; V136-Q140 PolarHBondContact O-N 3.22Å; V138-Q140 PolarHBondContact O-N 3.05Å; Q140-Q144 WeakPolarHBondContact O-CB 3.47Å; Q140-Q144 PolarHBondContact O-N 3.01Å; Q140-Q144 VanDerWaalsContact O-N 3.09Å; Q140-H173 HydrophobicContact CG-CB 4.31Å; Q140-I174 HydrophobicContact CB-CD1 4.44Å; Q140-I174 HydrophobicContact CG-CD1 3.57Å; Q140-K177 HydrophobicContact CB-CD 4.43Å; Q140-K177 HydrophobicContact CB-CG 4.04Å; Q140-K177 HydrophobicContact CG-CG 3.99Å
141	C	92.9	Very high	92	Very high	10 Å²	10	52.1 Å²	52.1	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-69.3	-43.1	178.9	-159.3	0	0	0	0	111	W98 L101 R137 V138 L139 I143 Q144 F145	W98-C141 VanDerWaalsContact CD1-CB 3.42Å; W98-C141 VanDerWaalsContact CD1-SG 3.55Å; L101-C141 WeakPolarHBondContact CD2-SG 3.46Å; R137-C141 WeakPolarHBondContact O-CB 3.48Å; R137-C141 PolarHBondContact O-N 3.33Å; R137-C141 VanDerWaalsContact O-N 3.13Å; V138-C141 WeakPolarHBondContact O-CA 3.24Å; V138-C141 VanDerWaalsContact O-CB 3.25Å; V138-C141 WeakPolarHBondContact O-CB 3.45Å; V138-C141 PolarHBondContact O-N 3.32Å; L139-C141 VanDerWaalsContact C-N 3.27Å; L139-C141 PolarHBondContact O-N 3.24Å; C141-I143 PolarHBondContact O-N 3.17Å; C141-Q144 PolarHBondContact O-N 2.87Å; C141-F145 WeakPolarHBondContact O-CD2 3.43Å; C141-F145 PolarHBondContact O-N 3.47Å; C141-F145 VanDerWaalsContact SG-CD2 3.54Å; C141-F145 WeakPolarHBondContact SG-CE2 3.45Å
142	F	95	Very high	92.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58.2	-47.2	175.8	-175.1	-101.3	0	0	0	111.3	M115 L118 H119 I122 V138 L139 Q144 F145 G146 Q150 V154	M115-F142 HydrophobicContact CE-CD2 3.3Å; M115-F142 HydrophobicContact CE-CE2 3.49Å; M115-F142 VanDerWaalsContact CE-CE2 3.49Å; M115-F142 HydrophobicContact CE-CG 4.07Å; M115-F142 HydrophobicContact CE-CZ 4.38Å; M115-F142 WeakPolarHBondContact CE-O 3.18Å; M115-F142 HydrophobicContact SD-CD2 4.13Å; L118-F142 HydrophobicContact CB-CD2 4.44Å; L118-F142 HydrophobicContact CD2-CB 4.13Å; L118-F142 HydrophobicContact CD2-CD2 4.01Å; L118-F142 HydrophobicContact CG-CD2 4.07Å; H119-F142 HydrophobicContact CB-CE2 3.67Å; H119-F142 HydrophobicContact CB-CZ 3.81Å; H119-F142 AromaticContact CD2-CZ 3.77Å; H119-F142 AromaticContact CG-CZ 3.71Å; I122-F142 HydrophobicContact CD1-CB 4.05Å; I122-F142 HydrophobicContact CD1-CD1 3.45Å; I122-F142 VanDerWaalsContact CD1-CD1 3.45Å; I122-F142 HydrophobicContact CD1-CD2 3.73Å; I122-F142 HydrophobicContact CD1-CE1 3.73Å; I122-F142 HydrophobicContact CD1-CE2 4.01Å; I122-F142 HydrophobicContact CD1-CG 3.44Å; I122-F142 VanDerWaalsContact CD1-CG 3.44Å; I122-F142 HydrophobicContact CD1-CZ 4Å; V138-F142 PolarHBondContact O-N 2.96Å; L139-F142 PolarHBondContact O-N 3.23Å; F142-Q144 VanDerWaalsContact C-N 3.35Å; F142-Q144 PolarHBondContact O-N 2.98Å; F142-F145 PolarHBondContact O-N 3.28Å; F142-G146 VanDerWaalsContact O-CA 3.29Å; F142-G146 WeakPolarHBondContact O-CA 3.45Å; F142-G146 PolarHBondContact O-N 2.8Å; F142-Q150 HydrophobicContact CE1-CB 4Å; F142-Q150 HydrophobicContact CZ-CB 3.84Å; F142-Q150 HydrophobicContact CZ-CG 3.95Å; F142-V154 HydrophobicContact CD1-CG2 3.65Å; F142-V154 HydrophobicContact CE1-CG2 3.56Å
143	I	95.6	Very high	92.8	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-44.8	175.9	-64.4	161.1	0	0	0	110.9	L139 C141 F145 R151 V154 I174 K177 L178 Y181	L139-I143 HydrophobicContact CG-CD1 4.42Å; L139-I143 WeakPolarHBondContact O-CG1 3.35Å; L139-I143 PolarHBondContact O-N 3.13Å; C141-I143 PolarHBondContact O-N 3.17Å; I143-F145 VanDerWaalsContact C-N 3.31Å; I143-F145 PolarHBondContact O-N 3.25Å; I143-R151 HydrophobicContact CG2-CG 4.4Å; I143-R151 PolarHBondContact O-NE 3.09Å; I143-R151 PolarHBondContact O-NH2 3.28Å; I143-V154 HydrophobicContact CD1-CG1 3.95Å; I143-V154 HydrophobicContact CG1-CB 4.49Å; I143-V154 HydrophobicContact CG1-CG1 3.93Å; I143-V154 HydrophobicContact CG1-CG2 4.41Å; I143-I174 HydrophobicContact CD1-CD1 4.48Å; I143-I174 HydrophobicContact CD1-CG2 3.71Å; I143-K177 HydrophobicContact CB-CB 4.2Å; I143-K177 HydrophobicContact CD1-CB 4.11Å; I143-K177 HydrophobicContact CG2-CB 3.87Å; I143-L178 HydrophobicContact CD1-CD2 4Å; I143-L178 HydrophobicContact CD1-CG 4.13Å; I143-L178 HydrophobicContact CG1-CD2 4.22Å; I143-L178 HydrophobicContact CG2-CD2 4.18Å; I143-Y181 HydrophobicContact CG2-CD2 4.35Å
144	Q	94	Very high	93.4	Very high	63 Å²	63	48.9 Å²	48.9	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-36.9	-177.5	169.6	163.6	-19.8	0	0	113.9	Q140 C141 F142 R151 Y181	Q140-Q144 WeakPolarHBondContact O-CB 3.47Å; Q140-Q144 PolarHBondContact O-N 3.01Å; Q140-Q144 VanDerWaalsContact O-N 3.09Å; C141-Q144 PolarHBondContact O-N 2.87Å; F142-Q144 VanDerWaalsContact C-N 3.35Å; F142-Q144 PolarHBondContact O-N 2.98Å; Q144-R151 PolarHBondContact O-NH2 3.49Å; Q144-Y181 HydrophobicContact CB-CD2 4.08Å; Q144-Y181 HydrophobicContact CB-CE2 3.49Å; Q144-Y181 VanDerWaalsContact CB-CE2 3.49Å; Q144-Y181 HydrophobicContact CG-CE1 4.36Å; Q144-Y181 HydrophobicContact CG-CE2 3.7Å; Q144-Y181 WeakPolarHBondContact CG-OH 3.47Å; Q144-Y181 PolarHBondContact OE1-OH 2.95Å
145	F	91.7	Very high	94	Very high	68 Å²	68	46.3 Å²	46.3	30%	0.298	21%	0.207	S	C	.	.	H	α-helix	trans	-106.9	-8.4	-176.5	-62.5	-57.2	0	0	0	113.9	L101 M115 C141 F142 I143	L101-F145 HydrophobicContact CD2-CD2 3.3Å; L101-F145 HydrophobicContact CD2-CE2 3.67Å; L101-F145 HydrophobicContact CD2-CG 4.2Å; M115-F145 HydrophobicContact CE-CB 4.3Å; M115-F145 HydrophobicContact SD-CB 3.9Å; C141-F145 WeakPolarHBondContact O-CD2 3.43Å; C141-F145 PolarHBondContact O-N 3.47Å; C141-F145 VanDerWaalsContact SG-CD2 3.54Å; C141-F145 WeakPolarHBondContact SG-CE2 3.45Å; F142-F145 PolarHBondContact O-N 3.28Å; I143-F145 VanDerWaalsContact C-N 3.31Å; I143-F145 PolarHBondContact O-N 3.25Å
146	G	92.9	Very high	94.3	Very high	4 Å²	4	49.6 Å²	49.6	4%	0.041	22%	0.223	C	C	.	.			trans	-65.8	150.5	177	0	0	0	0	0	111.9	F142 R151	F142-G146 VanDerWaalsContact O-CA 3.29Å; F142-G146 WeakPolarHBondContact O-CA 3.45Å; F142-G146 PolarHBondContact O-N 2.8Å; G146-R151 PolarHBondContact O-NE 3.34Å; G146-R151 PolarHBondContact O-NH2 2.72Å
147	N	92.9	Very high	94.6	Very high	89 Å²	89	52 Å²	52	48%	0.476	23%	0.234	S	C	.	.			trans	-75.2	176.4	167.8	64.6	44.9	0	0	0	110.9	K149 Q150 R151	N147-K149 PolarHBondContact O-N 2.9Å; N147-K149 PolarHBondContact OD1-N 3.14Å; N147-K149 VanDerWaalsContact OD1-N 3.14Å; N147-Q150 PolarHBondContact ND2-OE1 2.93Å; N147-Q150 PolarHBondContact O-N 3.16Å; N147-Q150 WeakPolarHBondContact OD1-CG 3.37Å; N147-Q150 PolarHBondContact OD1-N 3.31Å; N147-R151 WeakPolarHBondContact O-CG 3.29Å; N147-R151 PolarHBondContact O-N 3.04Å
148	E	93.8	Very high	94.8	Very high	120 Å²	120	44.2 Å²	44.2	56%	0.561	20%	0.204	S	C	*	.	H	α-helix	trans	-57.6	-44.9	-177.5	-172.6	172.5	-167.6	0	0	113.1	Q150 R151 F152 N183	E148-Q150 PolarHBondContact O-N 2.68Å; E148-R151 PolarHBondContact O-N 2.52Å; E148-F152 WeakPolarHBondContact O-CB 3.28Å; E148-F152 PolarHBondContact O-N 2.55Å; E148-N183 PolarHBondContact OE1-ND2 3.5Å
149	K	94	Very high	94.9	Very high	178 Å²	178	47.6 Å²	47.6	77%	0.774	22%	0.219	S	C	*	.	H	α-helix	trans	-61	-44.2	178.3	-64.5	-175.5	179.3	-176.8	0	111.8	N147 F152 E153	N147-K149 PolarHBondContact O-N 2.9Å; N147-K149 PolarHBondContact OD1-N 3.14Å; N147-K149 VanDerWaalsContact OD1-N 3.14Å; K149-F152 PolarHBondContact O-N 3.01Å; K149-E153 PolarHBondContact O-N 3.22Å
150	Q	95	Very high	95	Very high	21 Å²	21	54.5 Å²	54.5	10%	0.098	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-41.2	177.9	-72.9	172.8	-35.1	0	0	112	F142 N147 E148 F152 E153 V154	F142-Q150 HydrophobicContact CE1-CB 4Å; F142-Q150 HydrophobicContact CZ-CB 3.84Å; F142-Q150 HydrophobicContact CZ-CG 3.95Å; N147-Q150 PolarHBondContact ND2-OE1 2.93Å; N147-Q150 PolarHBondContact O-N 3.16Å; N147-Q150 WeakPolarHBondContact OD1-CG 3.37Å; N147-Q150 PolarHBondContact OD1-N 3.31Å; E148-Q150 PolarHBondContact O-N 2.68Å; Q150-F152 VanDerWaalsContact C-N 3.34Å; Q150-E153 PolarHBondContact O-N 3.38Å; Q150-V154 WeakPolarHBondContact O-CG2 3.13Å; Q150-V154 PolarHBondContact O-N 3.37Å; Q150-V154 VanDerWaalsContact O-N 3.1Å
151	R	96.6	Very high	95.1	Very high	49 Å²	49	52.9 Å²	52.9	19%	0.185	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-40.9	175.9	-68.6	175.8	-172.1	175.3	7.1	111.1	I143 Q144 G146 N147 E148 V154 F155 Y181 M186	I143-R151 HydrophobicContact CG2-CG 4.4Å; I143-R151 PolarHBondContact O-NE 3.09Å; I143-R151 PolarHBondContact O-NH2 3.28Å; Q144-R151 PolarHBondContact O-NH2 3.49Å; G146-R151 PolarHBondContact O-NE 3.34Å; G146-R151 PolarHBondContact O-NH2 2.72Å; N147-R151 WeakPolarHBondContact O-CG 3.29Å; N147-R151 PolarHBondContact O-N 3.04Å; E148-R151 PolarHBondContact O-N 2.52Å; R151-V154 PolarHBondContact O-N 3.04Å; R151-F155 PolarHBondContact O-N 2.86Å; R151-Y181 WeakPolarHBondContact CD-O 3.45Å; R151-Y181 PolarHBondContact NH1-O 2.92Å; R151-M186 HydrophobicContact CB-CE 3.99Å; R151-M186 WeakPolarHBondContact O-CE 3.18Å
152	F	95.9	Very high	95.3	Very high	103 Å²	103	52.4 Å²	52.4	45%	0.452	25%	0.246	S	C	.	.	H	α-helix	trans	-64.5	-42.2	177.7	-173.1	-98.8	0	0	0	111.7	E148 K149 Q150 V154 F155 E156 M186	E148-F152 WeakPolarHBondContact O-CB 3.28Å; E148-F152 PolarHBondContact O-N 2.55Å; K149-F152 PolarHBondContact O-N 3.01Å; Q150-F152 VanDerWaalsContact C-N 3.34Å; F152-V154 VanDerWaalsContact C-N 3.32Å; F152-V154 PolarHBondContact O-N 2.89Å; F152-F155 HydrophobicContact CD2-CD1 4.44Å; F152-F155 HydrophobicContact CE2-CD1 4.31Å; F152-F155 WeakPolarHBondContact O-CB 3.47Å; F152-F155 PolarHBondContact O-N 3.19Å; F152-F155 VanDerWaalsContact O-N 3.11Å; F152-E156 HydrophobicContact CD1-CG 3.94Å; F152-E156 HydrophobicContact CE1-CG 3.44Å; F152-E156 VanDerWaalsContact CE1-CG 3.44Å; F152-E156 HydrophobicContact CE2-CG 4.42Å; F152-E156 HydrophobicContact CZ-CG 3.71Å; F152-E156 PolarHBondContact O-N 3.46Å; F152-M186 HydrophobicContact CB-CE 4.31Å; F152-M186 HydrophobicContact CD2-CE 4.47Å
153	E	95.9	Very high	95.3	Very high	46 Å²	46	54.3 Å²	54.3	22%	0.215	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-41.1	174.4	-172.5	172.9	-174.8	0	0	112.2	H119 R123 M126 K149 Q150 F155 E156 E157	H119-E153 IonicContact CD2-OE2 2.78Å; H119-E153 IonicContact CE1-OE2 3.01Å; H119-E153 PolarHBondContact CE1-OE2 2.9Å; H119-E153 IonicContact NE2-OE1 2.7Å; H119-E153 IonicContact NE2-OE2 3.29Å; H119-E153 PolarHBondContact NE2-OE2 2.93Å; R123-E153 IonicContact CZ-OE1 3.44Å; R123-E153 IonicContact NE-OE1 2.7Å; R123-E153 PolarHBondContact NE-OE1 2.94Å; R123-E153 IonicContact NH2-OE1 3.41Å; R123-E153 PolarHBondContact NH2-OE1 2.93Å; M126-E153 HydrophobicContact CE-CG 4.39Å; K149-E153 PolarHBondContact O-N 3.22Å; Q150-E153 PolarHBondContact O-N 3.38Å; E153-F155 VanDerWaalsContact C-N 3.32Å; E153-F155 PolarHBondContact O-N 3.44Å; E153-E156 PolarHBondContact O-N 3.24Å; E153-E157 PolarHBondContact O-N 3.03Å
154	V	96.6	Very high	95.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-41.8	173.4	177.6	0	0	0	0	111.2	M126 L139 F142 I143 Q150 R151 F152 L158 L178	M126-V154 HydrophobicContact CE-CG2 4.14Å; M126-V154 HydrophobicContact SD-CB 3.89Å; M126-V154 HydrophobicContact SD-CG1 4.07Å; M126-V154 HydrophobicContact SD-CG2 3.48Å; M126-V154 WeakPolarHBondContact SD-CG2 3.48Å; L139-V154 HydrophobicContact CD1-CG1 4.25Å; L139-V154 HydrophobicContact CD1-CG2 4.49Å; F142-V154 HydrophobicContact CD1-CG2 3.65Å; F142-V154 HydrophobicContact CE1-CG2 3.56Å; I143-V154 HydrophobicContact CD1-CG1 3.95Å; I143-V154 HydrophobicContact CG1-CB 4.49Å; I143-V154 HydrophobicContact CG1-CG1 3.93Å; I143-V154 HydrophobicContact CG1-CG2 4.41Å; Q150-V154 WeakPolarHBondContact O-CG2 3.13Å; Q150-V154 PolarHBondContact O-N 3.37Å; Q150-V154 VanDerWaalsContact O-N 3.1Å; R151-V154 PolarHBondContact O-N 3.04Å; F152-V154 VanDerWaalsContact C-N 3.32Å; F152-V154 PolarHBondContact O-N 2.89Å; V154-L158 HydrophobicContact CG1-CD1 3.64Å; V154-L158 HydrophobicContact CG1-CG 4.47Å; V154-L158 WeakPolarHBondContact O-CB 3.28Å; V154-L158 WeakPolarHBondContact O-CD1 3.31Å; V154-L158 WeakPolarHBondContact O-CG 3.36Å; V154-L158 PolarHBondContact O-N 3.41Å; V154-L178 HydrophobicContact CG1-CD2 4.14Å
155	F	97.1	Very high	95.5	Very high	12 Å²	12	56.7 Å²	56.7	5%	0.053	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-48.5	176.6	169.3	-102.6	0	0	0	111.4	R151 F152 E153 E157 L158 K159 L178 M186 A189 I190 L193	R151-F155 PolarHBondContact O-N 2.86Å; F152-F155 HydrophobicContact CD2-CD1 4.44Å; F152-F155 HydrophobicContact CE2-CD1 4.31Å; F152-F155 WeakPolarHBondContact O-CB 3.47Å; F152-F155 PolarHBondContact O-N 3.19Å; F152-F155 VanDerWaalsContact O-N 3.11Å; E153-F155 VanDerWaalsContact C-N 3.32Å; E153-F155 PolarHBondContact O-N 3.44Å; F155-E157 VanDerWaalsContact C-N 3.34Å; F155-E157 PolarHBondContact O-N 2.83Å; F155-L158 CarbonylContact O-C 3.31Å; F155-L158 PolarHBondContact O-N 2.96Å; F155-K159 HydrophobicContact CE1-CB 4.48Å; F155-K159 HydrophobicContact CE2-CB 4.29Å; F155-K159 HydrophobicContact CZ-CB 4.15Å; F155-K159 WeakPolarHBondContact O-CA 3.48Å; F155-K159 WeakPolarHBondContact O-CB 3.29Å; F155-K159 PolarHBondContact O-N 3Å; F155-L178 HydrophobicContact CB-CD2 4.49Å; F155-M186 HydrophobicContact CB-CE 3.87Å; F155-M186 HydrophobicContact CB-CG 4.29Å; F155-M186 HydrophobicContact CB-SD 4.09Å; F155-M186 HydrophobicContact CD2-CG 4.08Å; F155-M186 HydrophobicContact CG-CE 4.47Å; F155-M186 HydrophobicContact CG-CG 4.05Å; F155-M186 HydrophobicContact CG-SD 4.48Å; F155-A189 HydrophobicContact CE1-CB 4.2Å; F155-A189 HydrophobicContact CE2-CB 4.42Å; F155-A189 HydrophobicContact CZ-CB 3.66Å; F155-I190 HydrophobicContact CD2-CD1 4.32Å; F155-I190 HydrophobicContact CD2-CG1 4.01Å; F155-I190 HydrophobicContact CE2-CD1 4.44Å; F155-I190 HydrophobicContact CE2-CG1 3.65Å; F155-L193 HydrophobicContact CE2-CD1 4.23Å; F155-L193 HydrophobicContact CZ-CD1 4.4Å
156	E	96.7	Very high	95.7	Very high	70 Å²	70	53.4 Å²	53.4	33%	0.327	25%	0.252	S	S	.	.	H	α-helix	trans	-60.6	-40.2	-179.7	-77	-60.8	117.8	0	0	112.7	F152 E153 L158 K159	F152-E156 HydrophobicContact CD1-CG 3.94Å; F152-E156 HydrophobicContact CE1-CG 3.44Å; F152-E156 VanDerWaalsContact CE1-CG 3.44Å; F152-E156 HydrophobicContact CE2-CG 4.42Å; F152-E156 HydrophobicContact CZ-CG 3.71Å; F152-E156 PolarHBondContact O-N 3.46Å; E153-E156 PolarHBondContact O-N 3.24Å; E156-L158 VanDerWaalsContact C-N 3.26Å; E156-L158 PolarHBondContact O-N 3.03Å; E156-K159 WeakPolarHBondContact O-CG 3.4Å; E156-K159 IonicContact OE1-NZ 3.93Å; E156-K159 IonicContact OE2-NZ 2.72Å; E156-K159 PolarHBondContact OE2-NZ 3.16Å
157	E	96.2	Very high	95.8	Very high	58 Å²	58	57.2 Å²	57.2	27%	0.271	27%	0.268	S	S	.	.	H	α-helix	trans	-69.2	-24.8	177.1	-163.5	-179.4	135.4	0	0	112.6	G124 K125 M126 E153 F155	G124-E157 VanDerWaalsContact C-OE1 3.24Å; G124-E157 WeakPolarHBondContact CA-OE1 3.35Å; G124-E157 WeakPolarHBondContact CA-OE2 3.31Å; G124-E157 PolarHBondContact N-OE2 2.7Å; K125-E157 PolarHBondContact N-OE1 2.99Å; M126-E157 WeakPolarHBondContact CA-OE1 3.16Å; M126-E157 HydrophobicContact CB-CG 4.46Å; M126-E157 VanDerWaalsContact CB-OE1 3.24Å; M126-E157 WeakPolarHBondContact CB-OE1 3.3Å; M126-E157 WeakPolarHBondContact CG-OE2 3.37Å; M126-E157 PolarHBondContact N-OE1 3.2Å; E153-E157 PolarHBondContact O-N 3.03Å; F155-E157 VanDerWaalsContact C-N 3.34Å; F155-E157 PolarHBondContact O-N 2.83Å
158	L	96.3	Very high	95.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-108.2	-9.1	-172.8	-62.1	178.7	0	0	0	114.6	M126 K127 A130 L139 V154 F155 E156 D160 S161 I162 M165 I174	M126-L158 HydrophobicContact CB-CD2 4.28Å; K127-L158 VanDerWaalsContact CA-CD2 3.47Å; K127-L158 HydrophobicContact CB-CD2 3.98Å; A130-L158 HydrophobicContact CB-CD2 4.27Å; L139-L158 HydrophobicContact CD2-CD1 4.24Å; V154-L158 HydrophobicContact CG1-CD1 3.64Å; V154-L158 HydrophobicContact CG1-CG 4.47Å; V154-L158 WeakPolarHBondContact O-CB 3.28Å; V154-L158 WeakPolarHBondContact O-CD1 3.31Å; V154-L158 WeakPolarHBondContact O-CG 3.36Å; V154-L158 PolarHBondContact O-N 3.41Å; F155-L158 CarbonylContact O-C 3.31Å; F155-L158 PolarHBondContact O-N 2.96Å; E156-L158 VanDerWaalsContact C-N 3.26Å; E156-L158 PolarHBondContact O-N 3.03Å; L158-D160 VanDerWaalsContact C-N 3.29Å; L158-D160 PolarHBondContact O-N 3.41Å; L158-S161 CarbonylContact O-C 3.27Å; L158-S161 WeakPolarHBondContact O-CA 3.35Å; L158-S161 PolarHBondContact O-N 2.87Å; L158-I162 PolarHBondContact O-N 3.47Å; L158-M165 HydrophobicContact CB-SD 4.28Å; L158-M165 HydrophobicContact CD1-CE 4.16Å; L158-M165 HydrophobicContact CD1-SD 4.41Å; L158-M165 HydrophobicContact CD2-SD 4.14Å; L158-I174 HydrophobicContact CD1-CG2 3.78Å
159	K	95.4	Very high	95.6	Very high	72 Å²	72	51.5 Å²	51.5	31%	0.313	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-52.8	-42.8	-168.9	66.5	-172.8	176.8	-172.8	0	113.2	F155 E156 S161 I162 L193	F155-K159 HydrophobicContact CE1-CB 4.48Å; F155-K159 HydrophobicContact CE2-CB 4.29Å; F155-K159 HydrophobicContact CZ-CB 4.15Å; F155-K159 WeakPolarHBondContact O-CA 3.48Å; F155-K159 WeakPolarHBondContact O-CB 3.29Å; F155-K159 PolarHBondContact O-N 3Å; E156-K159 WeakPolarHBondContact O-CG 3.4Å; E156-K159 IonicContact OE1-NZ 3.93Å; E156-K159 IonicContact OE2-NZ 2.72Å; E156-K159 PolarHBondContact OE2-NZ 3.16Å; K159-S161 PolarHBondContact O-N 3.39Å; K159-I162 WeakPolarHBondContact O-CG1 3.32Å; K159-I162 PolarHBondContact O-N 2.95Å; K159-L193 HydrophobicContact CB-CD1 4.44Å
160	D	95.5	Very high	95.4	Very high	144 Å²	144	47.3 Å²	47.3	77%	0.77	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-72.3	-14.3	-179	-56.9	-37.6	0	0	0	113.3	L158	L158-D160 VanDerWaalsContact C-N 3.29Å; L158-D160 PolarHBondContact O-N 3.41Å
161	S	96.3	Very high	95.3	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.028	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-108.6	0.5	179.8	-64.4	0	0	0	0	113.3	K127 L158 K159 L163 E164 M165	K127-S161 WeakPolarHBondContact CE-OG 3.29Å; K127-S161 PolarHBondContact NZ-OG 3.28Å; L158-S161 CarbonylContact O-C 3.27Å; L158-S161 WeakPolarHBondContact O-CA 3.35Å; L158-S161 PolarHBondContact O-N 2.87Å; K159-S161 PolarHBondContact O-N 3.39Å; S161-L163 VanDerWaalsContact C-N 3.3Å; S161-L163 PolarHBondContact O-N 2.64Å; S161-E164 PolarHBondContact O-N 2.88Å; S161-E164 VanDerWaalsContact O-N 3.16Å; S161-M165 VanDerWaalsContact O-CB 3.28Å; S161-M165 WeakPolarHBondContact O-CB 3.48Å; S161-M165 WeakPolarHBondContact O-CG 3.47Å; S161-M165 PolarHBondContact O-N 2.96Å
162	I	96.9	Very high	95.2	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-55.3	-42.8	-178	-72.3	-65	0	0	0	112.5	L158 K159 S166 V175 L178 I190 L193 F194	L158-I162 PolarHBondContact O-N 3.47Å; K159-I162 WeakPolarHBondContact O-CG1 3.32Å; K159-I162 PolarHBondContact O-N 2.95Å; I162-S166 WeakPolarHBondContact O-CB 3.34Å; I162-S166 PolarHBondContact O-N 2.78Å; I162-S166 PolarHBondContact O-OG 3.42Å; I162-V175 HydrophobicContact CD1-CG2 4.1Å; I162-V175 HydrophobicContact CG2-CG1 4.21Å; I162-L178 HydrophobicContact CD1-CD1 3.87Å; I162-I190 HydrophobicContact CG2-CG2 4.31Å; I162-L193 HydrophobicContact CB-CD1 4.15Å; I162-L193 HydrophobicContact CG1-CD1 4.1Å; I162-L193 HydrophobicContact CG2-CD1 4.35Å; I162-F194 HydrophobicContact CG2-CD1 4.39Å; I162-F194 HydrophobicContact CG2-CE1 3.63Å; I162-F194 HydrophobicContact CG2-CZ 4.42Å
163	L	96.6	Very high	95.2	Very high	40 Å²	40	44.8 Å²	44.8	21%	0.209	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-42.7	179	-73	172.7	0	0	0	112.7	S161 L193 F194 H197 M201	S161-L163 VanDerWaalsContact C-N 3.3Å; S161-L163 PolarHBondContact O-N 2.64Å; L163-L193 WeakPolarHBondContact CD2-O 3.48Å; L163-F194 HydrophobicContact CD2-CD1 3.96Å; L163-H197 HydrophobicContact CD2-CB 3.84Å; L163-M201 HydrophobicContact CD2-SD 3.8Å
164	E	96.4	Very high	95.3	Very high	112 Å²	112	42.6 Å²	42.6	52%	0.523	21%	0.207	S	C	.	.	H	α-helix	trans	-65.6	-47.1	176.5	-173.2	-170.1	172.2	0	0	110.7	F131 S161 S166 K167 S168	F131-E164 HydrophobicContact CE1-CG 3.97Å; F131-E164 HydrophobicContact CZ-CB 4.22Å; F131-E164 HydrophobicContact CZ-CG 3.84Å; S161-E164 PolarHBondContact O-N 2.88Å; S161-E164 VanDerWaalsContact O-N 3.16Å; E164-S166 VanDerWaalsContact C-N 3.28Å; E164-S166 PolarHBondContact O-N 2.75Å; E164-K167 WeakPolarHBondContact O-CB 3.33Å; E164-K167 PolarHBondContact O-N 3.39Å; E164-S168 PolarHBondContact O-N 2.93Å; E164-S168 VanDerWaalsContact O-N 3.12Å
165	M	96.3	Very high	95.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-39.2	177.9	-73.4	175.8	53.1	0	0	111.9	A130 F131 L158 S161 K167 S168 G171 K172 I174 V175	A130-M165 HydrophobicContact CB-CE 3.74Å; A130-M165 HydrophobicContact CB-SD 4.05Å; F131-M165 HydrophobicContact CE1-CG 4.01Å; F131-M165 HydrophobicContact CE2-CG 3.63Å; F131-M165 HydrophobicContact CE2-SD 4.36Å; F131-M165 HydrophobicContact CZ-CB 4.34Å; F131-M165 HydrophobicContact CZ-CG 3.33Å; L158-M165 HydrophobicContact CB-SD 4.28Å; L158-M165 HydrophobicContact CD1-CE 4.16Å; L158-M165 HydrophobicContact CD1-SD 4.41Å; L158-M165 HydrophobicContact CD2-SD 4.14Å; S161-M165 VanDerWaalsContact O-CB 3.28Å; S161-M165 WeakPolarHBondContact O-CB 3.48Å; S161-M165 WeakPolarHBondContact O-CG 3.47Å; S161-M165 PolarHBondContact O-N 2.96Å; M165-K167 PolarHBondContact O-N 3.37Å; M165-S168 WeakPolarHBondContact O-CB 3.31Å; M165-S168 PolarHBondContact O-N 3.18Å; M165-G171 CarbonylContact O-C 3.31Å; M165-K172 WeakPolarHBondContact O-CA 3.47Å; M165-K172 PolarHBondContact O-N 3.16Å; M165-I174 HydrophobicContact CE-CB 3.44Å; M165-I174 VanDerWaalsContact CE-CB 3.44Å; M165-I174 HydrophobicContact CE-CG1 4.11Å; M165-I174 HydrophobicContact CE-CG2 3.5Å; M165-V175 HydrophobicContact CB-CG2 3.78Å; M165-V175 HydrophobicContact CE-CG2 4.1Å
166	S	97.2	Very high	95.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-28.8	177.1	-62.1	0	0	0	0	112.7	I162 E164 S206 A207	I162-S166 WeakPolarHBondContact O-CB 3.34Å; I162-S166 PolarHBondContact O-N 2.78Å; I162-S166 PolarHBondContact O-OG 3.42Å; E164-S166 VanDerWaalsContact C-N 3.28Å; E164-S166 PolarHBondContact O-N 2.75Å; S166-S206 CarbonylContact O-C 3.54Å; S166-A207 WeakPolarHBondContact O-CA 3.46Å; S166-A207 WeakPolarHBondContact O-CB 3.28Å; S166-A207 PolarHBondContact O-N 3.42Å
167	K	94.9	Very high	95.5	Very high	84 Å²	84	44 Å²	44	37%	0.365	21%	0.212	S	C	.	.	H	α-helix	trans	-84.6	-23.7	175	-62.1	171.5	-173.3	171.7	0	112.2	E164 M165 H204 A207	E164-K167 WeakPolarHBondContact O-CB 3.33Å; E164-K167 PolarHBondContact O-N 3.39Å; M165-K167 PolarHBondContact O-N 3.37Å; K167-H204 PolarHBondContact O-CE1 3.2Å; K167-A207 HydrophobicContact CG-CB 4.06Å
168	S	93.7	Very high	95.5	Very high	18 Å²	18	41.2 Å²	41.2	13%	0.126	20%	0.199	C	C	.	.	S	Bend	trans	-68.5	139.5	178.5	172.9	0	0	0	0	112.5	E164 M165 Y170 G171 K172	E164-S168 PolarHBondContact O-N 2.93Å; E164-S168 VanDerWaalsContact O-N 3.12Å; M165-S168 WeakPolarHBondContact O-CB 3.31Å; M165-S168 PolarHBondContact O-N 3.18Å; S168-Y170 PolarHBondContact O-N 3.19Å; S168-Y170 PolarHBondContact OG-N 3.43Å; S168-G171 PolarHBondContact OG-N 3.23Å; S168-G171 VanDerWaalsContact OG-N 3.14Å; S168-K172 WeakPolarHBondContact O-CB 3.45Å; S168-K172 WeakPolarHBondContact O-CG 3.43Å; S168-K172 PolarHBondContact O-N 3.37Å
169	P	87.8	Confident	95.6	Very high	71 Å²	71	41.2 Å²	41.2	46%	0.461	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27	173.8	25.3	-34.1	0	0	0	112.9	K172 H173	P169-K172 WeakPolarHBondContact O-CE 3.38Å; P169-H173 PolarHBondContact O-CD2 2.99Å; P169-H173 PolarHBondContact O-NE2 3.38Å
170	Y	89.6	Confident	95.7	Very high	89 Å²	89	40.5 Å²	40.5	35%	0.349	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-49.2	-179.6	-50.7	-54.8	0	0	0	112.1	H133 S168 K172 H173	H133-Y170 HydrophobicContact CB-CD2 4.48Å; H133-Y170 HydrophobicContact CB-CE1 4.46Å; H133-Y170 HydrophobicContact CB-CE2 4.05Å; H133-Y170 AromaticContact CD2-CE1 3.4Å; H133-Y170 VanDerWaalsContact CD2-CE1 3.4Å; H133-Y170 WeakPolarHBondContact CD2-CE1 3.49Å; H133-Y170 AromaticContact CD2-CZ 3.47Å; H133-Y170 VanDerWaalsContact CD2-CZ 3.47Å; H133-Y170 PolarHBondContact CD2-OH 3.28Å; S168-Y170 PolarHBondContact O-N 3.19Å; S168-Y170 PolarHBondContact OG-N 3.43Å; Y170-K172 PolarHBondContact O-N 3.1Å; Y170-K172 VanDerWaalsContact O-N 3.15Å; Y170-H173 WeakPolarHBondContact O-CB 3.29Å; Y170-H173 PolarHBondContact O-N 2.9Å
171	G	93.6	Very high	95.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.7	-32.7	-176	0	0	0	0	0	113.2	M165 S168 H173 I174 V175	M165-G171 CarbonylContact O-C 3.31Å; S168-G171 PolarHBondContact OG-N 3.23Å; S168-G171 VanDerWaalsContact OG-N 3.14Å; G171-H173 PolarHBondContact O-N 3.26Å; G171-H173 VanDerWaalsContact O-N 3.1Å; G171-I174 WeakPolarHBondContact O-CA 3.5Å; G171-I174 WeakPolarHBondContact O-CB 3.35Å; G171-I174 PolarHBondContact O-N 3.28Å; G171-V175 PolarHBondContact O-N 3.24Å
172	K	95.3	Very high	95.8	Very high	43 Å²	43	37.3 Å²	37.3	19%	0.187	18%	0.18	C	C	.	.	H	α-helix	trans	-56.7	-32.3	178.9	75.8	-174.5	-177.7	178.2	0	112.6	M165 S168 P169 Y170 I174 V175 K176 S206 I210	M165-K172 WeakPolarHBondContact O-CA 3.47Å; M165-K172 PolarHBondContact O-N 3.16Å; S168-K172 WeakPolarHBondContact O-CB 3.45Å; S168-K172 WeakPolarHBondContact O-CG 3.43Å; S168-K172 PolarHBondContact O-N 3.37Å; P169-K172 WeakPolarHBondContact O-CE 3.38Å; Y170-K172 PolarHBondContact O-N 3.1Å; Y170-K172 VanDerWaalsContact O-N 3.15Å; K172-I174 VanDerWaalsContact C-N 3.3Å; K172-I174 PolarHBondContact O-N 2.74Å; K172-V175 PolarHBondContact O-N 3.43Å; K172-K176 WeakPolarHBondContact O-CB 3.24Å; K172-K176 PolarHBondContact O-N 2.95Å; K172-S206 PolarHBondContact NZ-OG 2.95Å; K172-I210 HydrophobicContact CB-CD1 3.9Å; K172-I210 HydrophobicContact CB-CG1 3.91Å; K172-I210 WeakPolarHBondContact O-CD1 3.27Å
173	H	95.8	Very high	95.7	Very high	77 Å²	77	39.4 Å²	39.4	36%	0.356	19%	0.191	S	C	.	.	H	α-helix	trans	-69.4	-31.1	179	-64.6	-65.1	0	0	0	112.1	Q140 P169 Y170 G171 K177	Q140-H173 HydrophobicContact CG-CB 4.31Å; P169-H173 PolarHBondContact O-CD2 2.99Å; P169-H173 PolarHBondContact O-NE2 3.38Å; Y170-H173 WeakPolarHBondContact O-CB 3.29Å; Y170-H173 PolarHBondContact O-N 2.9Å; G171-H173 PolarHBondContact O-N 3.26Å; G171-H173 VanDerWaalsContact O-N 3.1Å; H173-K177 WeakPolarHBondContact O-CB 3.4Å; H173-K177 WeakPolarHBondContact O-CG 3.35Å; H173-K177 PolarHBondContact O-N 2.9Å
174	I	97.2	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-69.5	-48.7	173.7	-56.5	-60.9	0	0	0	110	A130 V136 L139 Q140 I143 L158 M165 G171 K172 K176 K177 L178	A130-I174 HydrophobicContact CB-CG1 4.2Å; V136-I174 HydrophobicContact CG2-CD1 3.83Å; V136-I174 HydrophobicContact CG2-CG1 3.83Å; L139-I174 HydrophobicContact CB-CD1 3.76Å; L139-I174 HydrophobicContact CD2-CD1 3.84Å; L139-I174 HydrophobicContact CD2-CG1 4.22Å; L139-I174 HydrophobicContact CD2-CG2 4.19Å; L139-I174 HydrophobicContact CG-CD1 3.81Å; Q140-I174 HydrophobicContact CB-CD1 4.44Å; Q140-I174 HydrophobicContact CG-CD1 3.57Å; I143-I174 HydrophobicContact CD1-CD1 4.48Å; I143-I174 HydrophobicContact CD1-CG2 3.71Å; L158-I174 HydrophobicContact CD1-CG2 3.78Å; M165-I174 HydrophobicContact CE-CB 3.44Å; M165-I174 VanDerWaalsContact CE-CB 3.44Å; M165-I174 HydrophobicContact CE-CG1 4.11Å; M165-I174 HydrophobicContact CE-CG2 3.5Å; G171-I174 WeakPolarHBondContact O-CA 3.5Å; G171-I174 WeakPolarHBondContact O-CB 3.35Å; G171-I174 PolarHBondContact O-N 3.28Å; K172-I174 VanDerWaalsContact C-N 3.3Å; K172-I174 PolarHBondContact O-N 2.74Å; I174-K176 VanDerWaalsContact C-N 3.29Å; I174-K176 PolarHBondContact O-N 2.85Å; I174-K177 WeakPolarHBondContact O-CA 3.34Å; I174-K177 WeakPolarHBondContact O-CB 3.39Å; I174-K177 PolarHBondContact O-N 3.45Å; I174-L178 HydrophobicContact CG2-CD1 4.45Å; I174-L178 PolarHBondContact O-N 2.99Å
175	V	98.1	Very high	95.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.9	-43.9	176.5	-173.8	0	0	0	0	110.8	I162 M165 G171 K172 K177 L178 L179 I190 F194 I210	I162-V175 HydrophobicContact CD1-CG2 4.1Å; I162-V175 HydrophobicContact CG2-CG1 4.21Å; M165-V175 HydrophobicContact CB-CG2 3.78Å; M165-V175 HydrophobicContact CE-CG2 4.1Å; G171-V175 PolarHBondContact O-N 3.24Å; K172-V175 PolarHBondContact O-N 3.43Å; V175-K177 VanDerWaalsContact C-N 3.33Å; V175-K177 PolarHBondContact O-N 3.25Å; V175-L178 PolarHBondContact O-N 3.34Å; V175-L179 HydrophobicContact CG1-CD1 4.41Å; V175-L179 PolarHBondContact O-N 2.83Å; V175-I190 HydrophobicContact CG1-CG2 4.34Å; V175-F194 HydrophobicContact CG1-CE1 4.43Å; V175-F194 HydrophobicContact CG1-CZ 3.91Å; V175-I210 HydrophobicContact CB-CG2 4.3Å; V175-I210 HydrophobicContact CG1-CG2 3.66Å
176	K	97.9	Very high	95.7	Very high	83 Å²	83	46.7 Å²	46.7	36%	0.361	22%	0.221	S	C	.	.	H	α-helix	trans	-59.7	-40.4	173.9	-174.6	167.7	-177.2	165.2	0	112.5	K172 I174 L179 M180 I210 Y213	K172-K176 WeakPolarHBondContact O-CB 3.24Å; K172-K176 PolarHBondContact O-N 2.95Å; I174-K176 VanDerWaalsContact C-N 3.29Å; I174-K176 PolarHBondContact O-N 2.85Å; K176-L179 PolarHBondContact O-N 3.5Å; K176-M180 VanDerWaalsContact O-CB 3.24Å; K176-M180 WeakPolarHBondContact O-CB 3.25Å; K176-M180 PolarHBondContact O-N 3.3Å; K176-I210 HydrophobicContact CB-CD1 3.86Å; K176-Y213 HydrophobicContact CD-CG 4.42Å; K176-Y213 HydrophobicContact CG-CD1 3.9Å; K176-Y213 HydrophobicContact CG-CE1 4.05Å; K176-Y213 HydrophobicContact CG-CG 4.25Å
177	K	97.7	Very high	95.7	Very high	29 Å²	29	47.2 Å²	47.2	13%	0.126	22%	0.224	C	C	.	.	H	α-helix	trans	-67	-40.1	177.4	-73.9	-78.1	175.4	-179.5	0	111.6	Q140 I143 H173 I174 V175 M180 Y181	Q140-K177 HydrophobicContact CB-CD 4.43Å; Q140-K177 HydrophobicContact CB-CG 4.04Å; Q140-K177 HydrophobicContact CG-CG 3.99Å; I143-K177 HydrophobicContact CB-CB 4.2Å; I143-K177 HydrophobicContact CD1-CB 4.11Å; I143-K177 HydrophobicContact CG2-CB 3.87Å; H173-K177 WeakPolarHBondContact O-CB 3.4Å; H173-K177 WeakPolarHBondContact O-CG 3.35Å; H173-K177 PolarHBondContact O-N 2.9Å; I174-K177 WeakPolarHBondContact O-CA 3.34Å; I174-K177 WeakPolarHBondContact O-CB 3.39Å; I174-K177 PolarHBondContact O-N 3.45Å; V175-K177 VanDerWaalsContact C-N 3.33Å; V175-K177 PolarHBondContact O-N 3.25Å; K177-M180 HydrophobicContact CD-CE 3.63Å; K177-M180 PolarHBondContact O-N 3.07Å; K177-Y181 HydrophobicContact CB-CD2 4.46Å; K177-Y181 HydrophobicContact CD-CD2 3.83Å; K177-Y181 HydrophobicContact CD-CE2 3.53Å; K177-Y181 WeakPolarHBondContact O-CB 3.24Å; K177-Y181 WeakPolarHBondContact O-CD2 3.48Å; K177-Y181 PolarHBondContact O-N 3.2Å
178	L	97.9	Very high	95.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-43.8	173.6	-67.3	172.7	0	0	0	111.2	I143 V154 F155 I162 I174 V175 M180 G182 M186 I190	I143-L178 HydrophobicContact CD1-CD2 4Å; I143-L178 HydrophobicContact CD1-CG 4.13Å; I143-L178 HydrophobicContact CG1-CD2 4.22Å; I143-L178 HydrophobicContact CG2-CD2 4.18Å; V154-L178 HydrophobicContact CG1-CD2 4.14Å; F155-L178 HydrophobicContact CB-CD2 4.49Å; I162-L178 HydrophobicContact CD1-CD1 3.87Å; I174-L178 HydrophobicContact CG2-CD1 4.45Å; I174-L178 PolarHBondContact O-N 2.99Å; V175-L178 PolarHBondContact O-N 3.34Å; L178-M180 VanDerWaalsContact C-N 3.35Å; L178-M180 PolarHBondContact O-N 3.4Å; L178-G182 VanDerWaalsContact O-CA 3.23Å; L178-G182 WeakPolarHBondContact O-CA 3.33Å; L178-G182 PolarHBondContact O-N 2.91Å; L178-M186 HydrophobicContact CB-SD 4.35Å; L178-M186 HydrophobicContact CD2-SD 4.03Å; L178-I190 HydrophobicContact CB-CD1 3.67Å
179	L	98	Very high	96.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-38.1	173	-72.6	168.7	0	0	0	112.8	V175 K176 V187 I190 F194 I210 Y213 A214 K218	V175-L179 HydrophobicContact CG1-CD1 4.41Å; V175-L179 PolarHBondContact O-N 2.83Å; K176-L179 PolarHBondContact O-N 3.5Å; L179-V187 HydrophobicContact CD2-CG1 4.27Å; L179-I190 HydrophobicContact CD1-CG2 4.5Å; L179-I190 HydrophobicContact CD2-CB 4.06Å; L179-I190 HydrophobicContact CD2-CD1 4.2Å; L179-I190 HydrophobicContact CD2-CG2 3.72Å; L179-I190 HydrophobicContact CG-CD1 4.32Å; L179-I190 HydrophobicContact CG-CG2 4.11Å; L179-F194 HydrophobicContact CD1-CE2 4.47Å; L179-I210 HydrophobicContact CD1-CG2 3.91Å; L179-Y213 HydrophobicContact CB-CD1 3.95Å; L179-Y213 HydrophobicContact CB-CE1 3.85Å; L179-Y213 HydrophobicContact CD1-CD1 4.17Å; L179-A214 HydrophobicContact CD1-CB 4.01Å; L179-A214 HydrophobicContact CD2-CB 4.32Å; L179-K218 HydrophobicContact CB-CG 4.49Å; L179-K218 VanDerWaalsContact O-CD 3.24Å; L179-K218 WeakPolarHBondContact O-CD 3.41Å; L179-K218 WeakPolarHBondContact O-CE 3.29Å; L179-K218 PolarHBondContact O-NZ 3.36Å
180	M	97.8	Very high	96.6	Very high	56 Å²	56	42.5 Å²	42.5	28%	0.276	21%	0.208	S	C	.	.	H	α-helix	trans	-70.8	-38.1	-176.6	-174.4	159.5	66.1	0	0	112.9	K176 K177 L178 Y213 K218	K176-M180 VanDerWaalsContact O-CB 3.24Å; K176-M180 WeakPolarHBondContact O-CB 3.25Å; K176-M180 PolarHBondContact O-N 3.3Å; K177-M180 HydrophobicContact CD-CE 3.63Å; K177-M180 PolarHBondContact O-N 3.07Å; L178-M180 VanDerWaalsContact C-N 3.35Å; L178-M180 PolarHBondContact O-N 3.4Å; M180-Y213 HydrophobicContact CB-CE1 4.13Å; M180-Y213 WeakPolarHBondContact CB-OH 3.22Å; M180-Y213 VanDerWaalsContact CG-OH 3.29Å; M180-Y213 WeakPolarHBondContact CG-OH 3.11Å; M180-K218 PolarHBondContact O-NZ 3.35Å
181	Y	97.1	Very high	96.9	Very high	65 Å²	65	38.4 Å²	38.4	26%	0.255	19%	0.192	S	C	.	.	H	α-helix	trans	-117.7	-10	-168	-70.6	-56.6	0	0	0	113.6	I143 Q144 R151 K177	I143-Y181 HydrophobicContact CG2-CD2 4.35Å; Q144-Y181 HydrophobicContact CB-CD2 4.08Å; Q144-Y181 HydrophobicContact CB-CE2 3.49Å; Q144-Y181 VanDerWaalsContact CB-CE2 3.49Å; Q144-Y181 HydrophobicContact CG-CE1 4.36Å; Q144-Y181 HydrophobicContact CG-CE2 3.7Å; Q144-Y181 WeakPolarHBondContact CG-OH 3.47Å; Q144-Y181 PolarHBondContact OE1-OH 2.95Å; R151-Y181 WeakPolarHBondContact CD-O 3.45Å; R151-Y181 PolarHBondContact NH1-O 2.92Å; K177-Y181 HydrophobicContact CB-CD2 4.46Å; K177-Y181 HydrophobicContact CD-CD2 3.83Å; K177-Y181 HydrophobicContact CD-CE2 3.53Å; K177-Y181 WeakPolarHBondContact O-CB 3.24Å; K177-Y181 WeakPolarHBondContact O-CD2 3.48Å; K177-Y181 PolarHBondContact O-N 3.2Å
182	G	95.8	Very high	97.1	Very high	17 Å²	17	43.7 Å²	43.7	18%	0.175	22%	0.217	C	C	.	.	S	Bend	trans	-65.1	157.6	173.1	0	0	0	0	0	112.4	L178	L178-G182 VanDerWaalsContact O-CA 3.23Å; L178-G182 WeakPolarHBondContact O-CA 3.33Å; L178-G182 PolarHBondContact O-N 2.91Å
183	N	95.5	Very high	97.2	Very high	44 Å²	44	44.6 Å²	44.6	24%	0.235	22%	0.223	C	C	.	.			trans	-72.2	177.8	167	65.5	2.4	0	0	0	110.4	E148 E185 M186 V187	E148-N183 PolarHBondContact OE1-ND2 3.5Å; N183-E185 VanDerWaalsContact C-N 3.27Å; N183-E185 WeakPolarHBondContact CB-OE2 3.41Å; N183-E185 PolarHBondContact ND2-OE2 3.21Å; N183-E185 PolarHBondContact O-N 2.81Å; N183-E185 PolarHBondContact OD1-OE2 2.85Å; N183-M186 PolarHBondContact O-N 3.13Å; N183-M186 WeakPolarHBondContact OD1-CB 3.39Å; N183-M186 PolarHBondContact OD1-N 3.31Å; N183-V187 WeakPolarHBondContact O-CG2 3.39Å; N183-V187 PolarHBondContact O-N 3.37Å; N183-V187 VanDerWaalsContact O-N 3.08Å
184	K	96.3	Very high	97.3	Very high	175 Å²	175	40.9 Å²	40.9	76%	0.761	21%	0.206	S	C	*	.	H	α-helix	trans	-64.7	-35.3	-174.9	-68.9	-178.9	179.9	176.3	0	111.8	V187 A188	K184-V187 PolarHBondContact O-N 3.06Å; K184-A188 WeakPolarHBondContact O-CB 3.32Å; K184-A188 PolarHBondContact O-N 3.15Å
185	E	96.4	Very high	97.2	Very high	125 Å²	125	43.1 Å²	43.1	58%	0.584	22%	0.222	S	C	*	.	H	α-helix	trans	-66.5	-46.4	-179	-61.1	69.1	-151.7	0	0	110.5	N183 A188 A189	N183-E185 VanDerWaalsContact C-N 3.27Å; N183-E185 WeakPolarHBondContact CB-OE2 3.41Å; N183-E185 PolarHBondContact ND2-OE2 3.21Å; N183-E185 PolarHBondContact O-N 2.81Å; N183-E185 PolarHBondContact OD1-OE2 2.85Å; E185-A188 PolarHBondContact O-N 2.92Å; E185-A189 WeakPolarHBondContact O-CB 3.5Å; E185-A189 PolarHBondContact O-N 2.73Å
186	M	97	Very high	97	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-42.9	175.4	-177.9	-176	-60.5	0	0	111.8	R151 F152 F155 L178 N183 A188 A189 I190	R151-M186 HydrophobicContact CB-CE 3.99Å; R151-M186 WeakPolarHBondContact O-CE 3.18Å; F152-M186 HydrophobicContact CB-CE 4.31Å; F152-M186 HydrophobicContact CD2-CE 4.47Å; F155-M186 HydrophobicContact CB-CE 3.87Å; F155-M186 HydrophobicContact CB-CG 4.29Å; F155-M186 HydrophobicContact CB-SD 4.09Å; F155-M186 HydrophobicContact CD2-CG 4.08Å; F155-M186 HydrophobicContact CG-CE 4.47Å; F155-M186 HydrophobicContact CG-CG 4.05Å; F155-M186 HydrophobicContact CG-SD 4.48Å; L178-M186 HydrophobicContact CB-SD 4.35Å; L178-M186 HydrophobicContact CD2-SD 4.03Å; N183-M186 PolarHBondContact O-N 3.13Å; N183-M186 WeakPolarHBondContact OD1-CB 3.39Å; N183-M186 PolarHBondContact OD1-N 3.31Å; M186-A188 VanDerWaalsContact C-N 3.31Å; M186-A188 PolarHBondContact O-N 3.14Å; M186-A189 PolarHBondContact O-N 3.41Å; M186-I190 HydrophobicContact CG-CD1 4.01Å; M186-I190 VanDerWaalsContact O-CG1 3.32Å; M186-I190 WeakPolarHBondContact O-CG1 3.48Å; M186-I190 PolarHBondContact O-N 3.27Å
187	V	97.4	Very high	97	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.067	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-44.7	175.6	170.4	0	0	0	0	110.4	L179 N183 K184 A189 I190 I191 K218	L179-V187 HydrophobicContact CD2-CG1 4.27Å; N183-V187 WeakPolarHBondContact O-CG2 3.39Å; N183-V187 PolarHBondContact O-N 3.37Å; N183-V187 VanDerWaalsContact O-N 3.08Å; K184-V187 PolarHBondContact O-N 3.06Å; V187-A189 PolarHBondContact O-N 3.2Å; V187-I190 PolarHBondContact O-N 3.36Å; V187-I191 HydrophobicContact CG1-CD1 3.86Å; V187-I191 WeakPolarHBondContact O-CG1 3.35Å; V187-I191 PolarHBondContact O-N 3Å; V187-K218 HydrophobicContact CG1-CB 4.01Å
188	A	97.9	Very high	97	Very high	39 Å²	39	43.4 Å²	43.4	32%	0.322	24%	0.239	S	C	.	.	H	α-helix	trans	-60.8	-44.1	176.3	0	0	0	0	0	111.9	K184 E185 M186 I190 I191 Q192	K184-A188 WeakPolarHBondContact O-CB 3.32Å; K184-A188 PolarHBondContact O-N 3.15Å; E185-A188 PolarHBondContact O-N 2.92Å; M186-A188 VanDerWaalsContact C-N 3.31Å; M186-A188 PolarHBondContact O-N 3.14Å; A188-I190 PolarHBondContact O-N 3.41Å; A188-I191 PolarHBondContact O-N 3.21Å; A188-Q192 WeakPolarHBondContact O-CB 3.4Å; A188-Q192 PolarHBondContact O-N 3.3Å
189	A	97.9	Very high	96.8	Very high	35 Å²	35	47.8 Å²	47.8	29%	0.289	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-42.7	177	0	0	0	0	0	112.2	F155 E185 M186 V187 Q192 L193	F155-A189 HydrophobicContact CE1-CB 4.2Å; F155-A189 HydrophobicContact CE2-CB 4.42Å; F155-A189 HydrophobicContact CZ-CB 3.66Å; E185-A189 WeakPolarHBondContact O-CB 3.5Å; E185-A189 PolarHBondContact O-N 2.73Å; M186-A189 PolarHBondContact O-N 3.41Å; V187-A189 PolarHBondContact O-N 3.2Å; A189-Q192 WeakPolarHBondContact O-CB 3.49Å; A189-Q192 PolarHBondContact O-N 3.49Å; A189-L193 WeakPolarHBondContact O-CG 3.47Å; A189-L193 PolarHBondContact O-N 3.02Å
190	I	97.9	Very high	96.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-43.8	176.5	-67.5	167.2	0	0	0	111.2	F155 I162 V175 L178 L179 M186 V187 A188 Q192 L193 F194	F155-I190 HydrophobicContact CD2-CD1 4.32Å; F155-I190 HydrophobicContact CD2-CG1 4.01Å; F155-I190 HydrophobicContact CE2-CD1 4.44Å; F155-I190 HydrophobicContact CE2-CG1 3.65Å; I162-I190 HydrophobicContact CG2-CG2 4.31Å; V175-I190 HydrophobicContact CG1-CG2 4.34Å; L178-I190 HydrophobicContact CB-CD1 3.67Å; L179-I190 HydrophobicContact CD1-CG2 4.5Å; L179-I190 HydrophobicContact CD2-CB 4.06Å; L179-I190 HydrophobicContact CD2-CD1 4.2Å; L179-I190 HydrophobicContact CD2-CG2 3.72Å; L179-I190 HydrophobicContact CG-CD1 4.32Å; L179-I190 HydrophobicContact CG-CG2 4.11Å; M186-I190 HydrophobicContact CG-CD1 4.01Å; M186-I190 VanDerWaalsContact O-CG1 3.32Å; M186-I190 WeakPolarHBondContact O-CG1 3.48Å; M186-I190 PolarHBondContact O-N 3.27Å; V187-I190 PolarHBondContact O-N 3.36Å; A188-I190 PolarHBondContact O-N 3.41Å; I190-Q192 VanDerWaalsContact C-N 3.3Å; I190-Q192 PolarHBondContact O-N 3.36Å; I190-L193 WeakPolarHBondContact O-CB 3.34Å; I190-L193 PolarHBondContact O-N 2.91Å; I190-F194 HydrophobicContact CG2-CE1 3.98Å; I190-F194 HydrophobicContact CG2-CE2 3.86Å; I190-F194 HydrophobicContact CG2-CZ 3.52Å; I190-F194 WeakPolarHBondContact O-CG 3.28Å; I190-F194 PolarHBondContact O-N 3.46Å
191	I	97.6	Very high	96.7	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-39.5	177.3	-68.7	171.7	0	0	0	110.5	V187 A188 L193 F194 S195 A214 A219 Q223 M226 I227	V187-I191 HydrophobicContact CG1-CD1 3.86Å; V187-I191 WeakPolarHBondContact O-CG1 3.35Å; V187-I191 PolarHBondContact O-N 3Å; A188-I191 PolarHBondContact O-N 3.21Å; I191-L193 VanDerWaalsContact C-N 3.31Å; I191-L193 PolarHBondContact O-N 3.05Å; I191-F194 WeakPolarHBondContact O-CB 3.38Å; I191-F194 PolarHBondContact O-N 3.35Å; I191-S195 PolarHBondContact O-N 2.73Å; I191-A214 HydrophobicContact CG1-CB 4.29Å; I191-A219 HydrophobicContact CD1-CB 4.1Å; I191-Q223 HydrophobicContact CD1-CB 4.01Å; I191-Q223 HydrophobicContact CD1-CG 4.13Å; I191-Q223 HydrophobicContact CG2-CB 4.35Å; I191-Q223 HydrophobicContact CG2-CG 4.48Å; I191-M226 HydrophobicContact CG2-SD 4.06Å; I191-I227 HydrophobicContact CG2-CD1 4.25Å; I191-I227 HydrophobicContact CG2-CG1 4.15Å
192	Q	97.2	Very high	96.7	Very high	110 Å²	110	48.7 Å²	48.7	51%	0.514	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-38.8	175	-172.7	60.2	43.9	0	0	112.1	A188 A189 I190 F194 S195	A188-Q192 WeakPolarHBondContact O-CB 3.4Å; A188-Q192 PolarHBondContact O-N 3.3Å; A189-Q192 WeakPolarHBondContact O-CB 3.49Å; A189-Q192 PolarHBondContact O-N 3.49Å; I190-Q192 VanDerWaalsContact C-N 3.3Å; I190-Q192 PolarHBondContact O-N 3.36Å; Q192-F194 PolarHBondContact O-N 3.29Å; Q192-S195 WeakPolarHBondContact O-CB 3.35Å; Q192-S195 PolarHBondContact O-N 3.03Å; Q192-S195 VanDerWaalsContact O-N 3.12Å
193	L	97.4	Very high	96.7	Very high	62 Å²	62	52.7 Å²	52.7	33%	0.325	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-26.8	173.9	-69.3	171.5	0	0	0	112.7	F155 K159 I162 L163 A189 I190 I191 S195	F155-L193 HydrophobicContact CE2-CD1 4.23Å; F155-L193 HydrophobicContact CZ-CD1 4.4Å; K159-L193 HydrophobicContact CB-CD1 4.44Å; I162-L193 HydrophobicContact CB-CD1 4.15Å; I162-L193 HydrophobicContact CG1-CD1 4.1Å; I162-L193 HydrophobicContact CG2-CD1 4.35Å; L163-L193 WeakPolarHBondContact CD2-O 3.48Å; A189-L193 WeakPolarHBondContact O-CG 3.47Å; A189-L193 PolarHBondContact O-N 3.02Å; I190-L193 WeakPolarHBondContact O-CB 3.34Å; I190-L193 PolarHBondContact O-N 2.91Å; I191-L193 VanDerWaalsContact C-N 3.31Å; I191-L193 PolarHBondContact O-N 3.05Å; L193-S195 VanDerWaalsContact C-N 3.32Å
194	F	97.6	Very high	96.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-76.1	-20.6	174.5	-61.1	-19.2	0	0	0	113.1	I162 L163 V175 L179 I190 I191 Q192 G196 H197 I198 M201 I210 A214	I162-F194 HydrophobicContact CG2-CD1 4.39Å; I162-F194 HydrophobicContact CG2-CE1 3.63Å; I162-F194 HydrophobicContact CG2-CZ 4.42Å; L163-F194 HydrophobicContact CD2-CD1 3.96Å; V175-F194 HydrophobicContact CG1-CE1 4.43Å; V175-F194 HydrophobicContact CG1-CZ 3.91Å; L179-F194 HydrophobicContact CD1-CE2 4.47Å; I190-F194 HydrophobicContact CG2-CE1 3.98Å; I190-F194 HydrophobicContact CG2-CE2 3.86Å; I190-F194 HydrophobicContact CG2-CZ 3.52Å; I190-F194 WeakPolarHBondContact O-CG 3.28Å; I190-F194 PolarHBondContact O-N 3.46Å; I191-F194 WeakPolarHBondContact O-CB 3.38Å; I191-F194 PolarHBondContact O-N 3.35Å; Q192-F194 PolarHBondContact O-N 3.29Å; F194-G196 PolarHBondContact O-N 2.94Å; F194-H197 CarbonylContact O-C 3.16Å; F194-H197 WeakPolarHBondContact O-CA 3.48Å; F194-H197 WeakPolarHBondContact O-CB 3.34Å; F194-H197 PolarHBondContact O-N 3.46Å; F194-I198 HydrophobicContact CB-CD1 3.62Å; F194-I198 PolarHBondContact O-N 3.45Å; F194-M201 HydrophobicContact CB-SD 4.16Å; F194-M201 HydrophobicContact CD1-CE 3.7Å; F194-M201 HydrophobicContact CD1-SD 3.82Å; F194-M201 HydrophobicContact CD2-CE 4.46Å; F194-M201 HydrophobicContact CE1-CE 3.67Å; F194-M201 HydrophobicContact CE1-SD 4.4Å; F194-M201 HydrophobicContact CE2-CE 4.44Å; F194-M201 HydrophobicContact CG-CE 4.12Å; F194-M201 HydrophobicContact CG-SD 4.04Å; F194-M201 HydrophobicContact CZ-CE 4.07Å; F194-I210 HydrophobicContact CE2-CG2 4.01Å; F194-I210 HydrophobicContact CZ-CG2 3.6Å; F194-A214 HydrophobicContact CE2-CB 4.26Å
195	S	94.5	Very high	96.4	Very high	46 Å²	46	48.5 Å²	48.5	32%	0.322	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	137.1	178.5	-169.3	0	0	0	0	111.2	I191 Q192 L193 H197 E230	I191-S195 PolarHBondContact O-N 2.73Å; Q192-S195 WeakPolarHBondContact O-CB 3.35Å; Q192-S195 PolarHBondContact O-N 3.03Å; Q192-S195 VanDerWaalsContact O-N 3.12Å; L193-S195 VanDerWaalsContact C-N 3.32Å; S195-H197 PolarHBondContact O-N 3.22Å; S195-H197 PolarHBondContact O-ND1 3.33Å; S195-E230 VanDerWaalsContact CA-OE1 3.3Å; S195-E230 WeakPolarHBondContact CA-OE1 3.5Å
196	G	94.8	Very high	96.2	Very high	52 Å²	52	43.3 Å²	43.3	54%	0.536	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-5.1	-172.5	0	0	0	0	0	114.7	F194 E230	F194-G196 PolarHBondContact O-N 2.94Å; G196-E230 VanDerWaalsContact CA-OE2 3.32Å; G196-E230 WeakPolarHBondContact CA-OE2 3.5Å; G196-E230 PolarHBondContact N-OE1 3.29Å; G196-E230 PolarHBondContact N-OE2 3.12Å
197	H	97.1	Very high	96.2	Very high	66 Å²	66	43.1 Å²	43.1	31%	0.306	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-5.5	-176.7	-58.7	87.5	0	0	0	113.2	L163 F194 S195 R199 K200 M201 E230	L163-H197 HydrophobicContact CD2-CB 3.84Å; F194-H197 CarbonylContact O-C 3.16Å; F194-H197 WeakPolarHBondContact O-CA 3.48Å; F194-H197 WeakPolarHBondContact O-CB 3.34Å; F194-H197 PolarHBondContact O-N 3.46Å; S195-H197 PolarHBondContact O-N 3.22Å; S195-H197 PolarHBondContact O-ND1 3.33Å; H197-R199 PolarHBondContact O-N 3.22Å; H197-K200 PolarHBondContact O-N 3.14Å; H197-K200 VanDerWaalsContact O-N 3.09Å; H197-M201 HydrophobicContact CB-CG 4.36Å; H197-M201 HydrophobicContact CB-SD 4.21Å; H197-M201 VanDerWaalsContact O-CG 3.29Å; H197-M201 WeakPolarHBondContact O-CG 3.02Å; H197-M201 PolarHBondContact O-N 2.95Å; H197-E230 PolarHBondContact N-OE2 3.37Å
198	I	97.4	Very high	96.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-57.9	-48.5	-172.6	-63.5	-66	0	0	0	110.9	F194 K200 M201 L202 V211 I227 E230 L231	F194-I198 HydrophobicContact CB-CD1 3.62Å; F194-I198 PolarHBondContact O-N 3.45Å; I198-K200 VanDerWaalsContact C-N 3.3Å; I198-K200 PolarHBondContact O-N 2.86Å; I198-M201 PolarHBondContact O-N 3.12Å; I198-M201 VanDerWaalsContact O-N 3.12Å; I198-L202 HydrophobicContact CG2-CD1 3.89Å; I198-L202 HydrophobicContact CG2-CG 4.26Å; I198-L202 WeakPolarHBondContact O-CG 3.37Å; I198-L202 PolarHBondContact O-N 3.33Å; I198-V211 HydrophobicContact CD1-CG1 4.05Å; I198-V211 HydrophobicContact CD1-CG2 4.17Å; I198-V211 HydrophobicContact CG2-CG1 4.27Å; I198-I227 HydrophobicContact CD1-CG1 4.27Å; I198-I227 HydrophobicContact CD1-CG2 4.15Å; I198-I227 HydrophobicContact CG2-CG2 4.14Å; I198-E230 HydrophobicContact CB-CB 4.32Å; I198-E230 WeakPolarHBondContact CB-OE2 3.5Å; I198-E230 VanDerWaalsContact CG1-OE1 3.23Å; I198-E230 WeakPolarHBondContact CG1-OE1 3.33Å; I198-E230 PolarHBondContact N-OE2 3.38Å; I198-L231 HydrophobicContact CG2-CD2 4.26Å
199	R	95.3	Very high	96.2	Very high	91 Å²	91	42.9 Å²	42.9	34%	0.343	23%	0.233	S	C	.	.	H	α-helix	trans	-57.2	-42.6	178.6	-175.2	176.4	-177.3	-166.3	3.3	112.2	H197 R203 L231 V268	H197-R199 PolarHBondContact O-N 3.22Å; R199-R203 VanDerWaalsContact NH2-NH2 3.19Å; R199-R203 WeakPolarHBondContact O-CG 3.41Å; R199-R203 PolarHBondContact O-N 3.3Å; R199-L231 HydrophobicContact CB-CD2 4.33Å; R199-V268 HydrophobicContact CG-CG1 3.97Å
200	K	96.1	Very high	96.2	Very high	140 Å²	140	41.3 Å²	41.3	61%	0.609	22%	0.22	S	C	*	.	H	α-helix	trans	-70.1	-38.6	178.3	-69.7	178.5	-177.2	170.3	0	111.4	H197 I198 R203	H197-K200 PolarHBondContact O-N 3.14Å; H197-K200 VanDerWaalsContact O-N 3.09Å; I198-K200 VanDerWaalsContact C-N 3.3Å; I198-K200 PolarHBondContact O-N 2.86Å; K200-R203 PolarHBondContact O-N 3.27Å
201	M	97.6	Very high	96.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.1	-42.2	178.5	-71	177.9	76.3	0	0	111.9	L163 F194 H197 I198 R203 H204 A207 S208 V211	L163-M201 HydrophobicContact CD2-SD 3.8Å; F194-M201 HydrophobicContact CB-SD 4.16Å; F194-M201 HydrophobicContact CD1-CE 3.7Å; F194-M201 HydrophobicContact CD1-SD 3.82Å; F194-M201 HydrophobicContact CD2-CE 4.46Å; F194-M201 HydrophobicContact CE1-CE 3.67Å; F194-M201 HydrophobicContact CE1-SD 4.4Å; F194-M201 HydrophobicContact CE2-CE 4.44Å; F194-M201 HydrophobicContact CG-CE 4.12Å; F194-M201 HydrophobicContact CG-SD 4.04Å; F194-M201 HydrophobicContact CZ-CE 4.07Å; H197-M201 HydrophobicContact CB-CG 4.36Å; H197-M201 HydrophobicContact CB-SD 4.21Å; H197-M201 VanDerWaalsContact O-CG 3.29Å; H197-M201 WeakPolarHBondContact O-CG 3.02Å; H197-M201 PolarHBondContact O-N 2.95Å; I198-M201 PolarHBondContact O-N 3.12Å; I198-M201 VanDerWaalsContact O-N 3.12Å; M201-R203 PolarHBondContact O-N 2.91Å; M201-H204 PolarHBondContact O-N 3.36Å; M201-H204 VanDerWaalsContact O-O 3.09Å; M201-A207 HydrophobicContact CB-CB 3.92Å; M201-A207 HydrophobicContact CE-CB 4.15Å; M201-A207 HydrophobicContact CG-CB 4.15Å; M201-S208 PolarHBondContact O-N 3.46Å; M201-V211 HydrophobicContact CB-CG2 3.76Å; M201-V211 HydrophobicContact CE-CG2 3.74Å; M201-V211 HydrophobicContact SD-CG2 4.05Å
202	L	97.1	Very high	96.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-28.5	177.7	-72.3	175.2	0	0	0	112.8	I198 H204 V211 L231 L272 V278 V283 V284	I198-L202 HydrophobicContact CG2-CD1 3.89Å; I198-L202 HydrophobicContact CG2-CG 4.26Å; I198-L202 WeakPolarHBondContact O-CG 3.37Å; I198-L202 PolarHBondContact O-N 3.33Å; L202-H204 PolarHBondContact O-N 3.4Å; L202-V211 HydrophobicContact CD2-CB 4.17Å; L202-V211 HydrophobicContact CD2-CG1 4.03Å; L202-V211 HydrophobicContact CG-CG1 4.45Å; L202-L231 HydrophobicContact CD1-CD1 3.66Å; L202-L231 HydrophobicContact CD1-CD2 3.85Å; L202-L231 HydrophobicContact CD1-CG 4.4Å; L202-L272 HydrophobicContact CB-CD1 4.31Å; L202-L272 HydrophobicContact CB-CD2 3.98Å; L202-L272 HydrophobicContact CD1-CD1 4.19Å; L202-V278 WeakPolarHBondContact O-CG1 3.31Å; L202-V278 WeakPolarHBondContact O-CG2 3.45Å; L202-V283 HydrophobicContact CD2-CG1 3.94Å; L202-V284 HydrophobicContact CD1-CG2 4.43Å; L202-V284 HydrophobicContact CD2-CG2 4.27Å
203	R	94.4	Very high	96.3	Very high	101 Å²	101	38.3 Å²	38.3	38%	0.381	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-10.5	172.8	-69.2	177.1	-177.8	-176.1	-2.2	113.7	R199 K200 M201 L272 K275	R199-R203 VanDerWaalsContact NH2-NH2 3.19Å; R199-R203 WeakPolarHBondContact O-CG 3.41Å; R199-R203 PolarHBondContact O-N 3.3Å; K200-R203 PolarHBondContact O-N 3.27Å; M201-R203 PolarHBondContact O-N 2.91Å; R203-L272 HydrophobicContact CG-CD2 3.92Å; R203-K275 PolarHBondContact O-NZ 3.1Å
204	H	94.9	Very high	96.4	Very high	75 Å²	75	35.4 Å²	35.4	35%	0.347	19%	0.189	S	C	.	.	S	Bend	trans	-111.6	118.9	-176.6	-171.5	-81.1	0	0	0	111.2	K167 M201 L202 S206 A207 S208	K167-H204 PolarHBondContact O-CE1 3.2Å; M201-H204 PolarHBondContact O-N 3.36Å; M201-H204 VanDerWaalsContact O-O 3.09Å; L202-H204 PolarHBondContact O-N 3.4Å; H204-S206 VanDerWaalsContact C-N 3.29Å; H204-S206 PolarHBondContact ND1-N 2.99Å; H204-S206 PolarHBondContact O-N 3.41Å; H204-S206 VanDerWaalsContact O-N 3.12Å; H204-A207 HydrophobicContact CB-CB 4.08Å; H204-A207 PolarHBondContact ND1-N 3.04Å; H204-A207 PolarHBondContact O-N 3.46Å; H204-S208 WeakPolarHBondContact O-CB 3.4Å; H204-S208 PolarHBondContact O-N 3.43Å; H204-S208 PolarHBondContact O-OG 3.03Å
205	A	90.5	Very high	96.4	Very high	56 Å²	56	36.2 Å²	36.2	46%	0.463	19%	0.193	S	C	.	.	H	α-helix	trans	-54.7	-38.5	-171.7	0	0	0	0	0	114.5	S208 Q277	A205-S208 PolarHBondContact O-OG 2.98Å; A205-S208 VanDerWaalsContact O-OG 3.1Å; A205-Q277 HydrophobicContact CB-CB 4.27Å
206	S	93.1	Very high	96.6	Very high	17 Å²	17	37.7 Å²	37.7	12%	0.119	20%	0.197	C	C	.	.	H	α-helix	trans	-71.8	-41.3	175.4	-73.3	0	0	0	0	112.9	S166 K172 H204 S209	S166-S206 CarbonylContact O-C 3.54Å; K172-S206 PolarHBondContact NZ-OG 2.95Å; H204-S206 VanDerWaalsContact C-N 3.29Å; H204-S206 PolarHBondContact ND1-N 2.99Å; H204-S206 PolarHBondContact O-N 3.41Å; H204-S206 VanDerWaalsContact O-N 3.12Å; S206-S209 PolarHBondContact O-OG 3.28Å
207	A	97.3	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-80	-32.8	-172.5	0	0	0	0	0	111.1	S166 K167 M201 H204 S209 I210 V211	S166-A207 WeakPolarHBondContact O-CA 3.46Å; S166-A207 WeakPolarHBondContact O-CB 3.28Å; S166-A207 PolarHBondContact O-N 3.42Å; K167-A207 HydrophobicContact CG-CB 4.06Å; M201-A207 HydrophobicContact CB-CB 3.92Å; M201-A207 HydrophobicContact CE-CB 4.15Å; M201-A207 HydrophobicContact CG-CB 4.15Å; H204-A207 HydrophobicContact CB-CB 4.08Å; H204-A207 PolarHBondContact ND1-N 3.04Å; H204-A207 PolarHBondContact O-N 3.46Å; A207-S209 VanDerWaalsContact C-N 3.25Å; A207-S209 PolarHBondContact O-N 3.34Å; A207-I210 WeakPolarHBondContact O-CB 3.36Å; A207-I210 PolarHBondContact O-N 2.84Å; A207-V211 PolarHBondContact O-N 2.96Å
208	S	97.4	Very high	96.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.5	-39.8	174.6	69.8	0	0	0	0	111.6	M201 H204 A205 I210 V211 E212 H281	M201-S208 PolarHBondContact O-N 3.46Å; H204-S208 WeakPolarHBondContact O-CB 3.4Å; H204-S208 PolarHBondContact O-N 3.43Å; H204-S208 PolarHBondContact O-OG 3.03Å; A205-S208 PolarHBondContact O-OG 2.98Å; A205-S208 VanDerWaalsContact O-OG 3.1Å; S208-I210 PolarHBondContact O-N 3.42Å; S208-V211 PolarHBondContact O-N 3Å; S208-E212 WeakPolarHBondContact O-CB 3.42Å; S208-E212 PolarHBondContact O-N 3.27Å; S208-H281 WeakPolarHBondContact CB-NE2 3.45Å; S208-H281 PolarHBondContact OG-NE2 2.82Å
209	S	97.2	Very high	96.8	Very high	45 Å²	45	39.8 Å²	39.8	32%	0.315	20%	0.196	S	C	.	.	H	α-helix	trans	-65.4	-24	175.9	74	0	0	0	0	114.2	S206 A207 Y213	S206-S209 PolarHBondContact O-OG 3.28Å; A207-S209 VanDerWaalsContact C-N 3.25Å; A207-S209 PolarHBondContact O-N 3.34Å; S209-Y213 WeakPolarHBondContact O-CB 3.39Å; S209-Y213 PolarHBondContact O-N 3.26Å; S209-Y213 VanDerWaalsContact O-N 3.16Å
210	I	98.3	Very high	96.9	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-81.4	-42.8	175.8	-58.1	-55.4	0	0	0	110.4	K172 V175 K176 L179 F194 A207 S208 E212 Y213 A214	K172-I210 HydrophobicContact CB-CD1 3.9Å; K172-I210 HydrophobicContact CB-CG1 3.91Å; K172-I210 WeakPolarHBondContact O-CD1 3.27Å; V175-I210 HydrophobicContact CB-CG2 4.3Å; V175-I210 HydrophobicContact CG1-CG2 3.66Å; K176-I210 HydrophobicContact CB-CD1 3.86Å; L179-I210 HydrophobicContact CD1-CG2 3.91Å; F194-I210 HydrophobicContact CE2-CG2 4.01Å; F194-I210 HydrophobicContact CZ-CG2 3.6Å; A207-I210 WeakPolarHBondContact O-CB 3.36Å; A207-I210 PolarHBondContact O-N 2.84Å; S208-I210 PolarHBondContact O-N 3.42Å; I210-E212 VanDerWaalsContact C-N 3.32Å; I210-Y213 PolarHBondContact O-N 3Å; I210-A214 WeakPolarHBondContact O-CB 3.21Å; I210-A214 PolarHBondContact O-N 3.2Å
211	V	98.4	Very high	96.9	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-45.5	172.3	177.2	0	0	0	0	110.3	I198 M201 L202 A207 S208 Y213 A214 Y215 I227	I198-V211 HydrophobicContact CD1-CG1 4.05Å; I198-V211 HydrophobicContact CD1-CG2 4.17Å; I198-V211 HydrophobicContact CG2-CG1 4.27Å; M201-V211 HydrophobicContact CB-CG2 3.76Å; M201-V211 HydrophobicContact CE-CG2 3.74Å; M201-V211 HydrophobicContact SD-CG2 4.05Å; L202-V211 HydrophobicContact CD2-CB 4.17Å; L202-V211 HydrophobicContact CD2-CG1 4.03Å; L202-V211 HydrophobicContact CG-CG1 4.45Å; A207-V211 PolarHBondContact O-N 2.96Å; S208-V211 PolarHBondContact O-N 3Å; V211-Y213 PolarHBondContact O-N 3.07Å; V211-A214 PolarHBondContact O-N 3.21Å; V211-Y215 WeakPolarHBondContact O-CB 3.43Å; V211-Y215 PolarHBondContact O-N 3.23Å; V211-I227 HydrophobicContact CG1-CG2 3.93Å
212	E	98.2	Very high	96.8	Very high	27 Å²	27	43.1 Å²	43.1	13%	0.126	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-46.9	176.9	174.6	61.4	-175.6	0	0	111.8	S208 I210 A214 Y215 N216 H281 S282 V283	S208-E212 WeakPolarHBondContact O-CB 3.42Å; S208-E212 PolarHBondContact O-N 3.27Å; I210-E212 VanDerWaalsContact C-N 3.32Å; E212-A214 VanDerWaalsContact C-N 3.31Å; E212-A214 PolarHBondContact O-N 2.6Å; E212-Y215 PolarHBondContact O-N 3.08Å; E212-N216 VanDerWaalsContact O-CB 3.29Å; E212-N216 WeakPolarHBondContact O-CB 3.38Å; E212-N216 PolarHBondContact O-N 3.47Å; E212-H281 HydrophobicContact CB-CB 4.06Å; E212-H281 HydrophobicContact CG-CB 4.03Å; E212-H281 WeakPolarHBondContact OE2-CB 3.2Å; E212-S282 VanDerWaalsContact CD-N 3.27Å; E212-S282 VanDerWaalsContact CD-OG 3.3Å; E212-S282 WeakPolarHBondContact OE1-CB 3.14Å; E212-S282 PolarHBondContact OE1-N 3.34Å; E212-S282 PolarHBondContact OE1-OG 2.93Å; E212-S282 PolarHBondContact OE2-N 3.13Å; E212-S282 PolarHBondContact OE2-OG 3.3Å; E212-V283 WeakPolarHBondContact OE2-CG1 3.24Å; E212-V283 PolarHBondContact OE2-N 2.92Å; E212-V283 VanDerWaalsContact OE2-N 3.09Å
213	Y	98.4	Very high	96.8	Very high	22 Å²	22	44.4 Å²	44.4	9%	0.086	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-39	177.9	-175.4	-103.1	0	0	0	112	K176 L179 M180 S209 I210 V211 D217 K218	K176-Y213 HydrophobicContact CD-CG 4.42Å; K176-Y213 HydrophobicContact CG-CD1 3.9Å; K176-Y213 HydrophobicContact CG-CE1 4.05Å; K176-Y213 HydrophobicContact CG-CG 4.25Å; L179-Y213 HydrophobicContact CB-CD1 3.95Å; L179-Y213 HydrophobicContact CB-CE1 3.85Å; L179-Y213 HydrophobicContact CD1-CD1 4.17Å; M180-Y213 HydrophobicContact CB-CE1 4.13Å; M180-Y213 WeakPolarHBondContact CB-OH 3.22Å; M180-Y213 VanDerWaalsContact CG-OH 3.29Å; M180-Y213 WeakPolarHBondContact CG-OH 3.11Å; S209-Y213 WeakPolarHBondContact O-CB 3.39Å; S209-Y213 PolarHBondContact O-N 3.26Å; S209-Y213 VanDerWaalsContact O-N 3.16Å; I210-Y213 PolarHBondContact O-N 3Å; V211-Y213 PolarHBondContact O-N 3.07Å; Y213-D217 HydrophobicContact CD2-CB 3.91Å; Y213-D217 HydrophobicContact CE2-CB 3.66Å; Y213-D217 VanDerWaalsContact CE2-CG 3.47Å; Y213-D217 WeakPolarHBondContact CE2-OD1 3.45Å; Y213-D217 WeakPolarHBondContact O-CB 3.34Å; Y213-D217 PolarHBondContact O-N 2.93Å; Y213-D217 VanDerWaalsContact O-N 3.14Å; Y213-K218 HydrophobicContact CE1-CG 4.09Å; Y213-K218 VanDerWaalsContact OH-CE 3.25Å; Y213-K218 WeakPolarHBondContact OH-CE 3.48Å
214	A	98.4	Very high	96.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-61.9	-49.3	173.3	0	0	0	0	0	110.7	L179 I191 F194 I210 V211 E212 K218 A219	L179-A214 HydrophobicContact CD1-CB 4.01Å; L179-A214 HydrophobicContact CD2-CB 4.32Å; I191-A214 HydrophobicContact CG1-CB 4.29Å; F194-A214 HydrophobicContact CE2-CB 4.26Å; I210-A214 WeakPolarHBondContact O-CB 3.21Å; I210-A214 PolarHBondContact O-N 3.2Å; V211-A214 PolarHBondContact O-N 3.21Å; E212-A214 VanDerWaalsContact C-N 3.31Å; E212-A214 PolarHBondContact O-N 2.6Å; A214-K218 CarbonylContact O-C 3.51Å; A214-K218 PolarHBondContact O-N 3.1Å; A214-A219 WeakPolarHBondContact O-CB 3.37Å; A214-A219 PolarHBondContact O-N 3.4Å
215	Y	98.6	Very high	97	Very high	18 Å²	18	42 Å²	42	7%	0.071	23%	0.231	C	C	.	.	I	π-helix	trans	-63.8	-52.1	-177.8	179.7	-94.1	0	0	0	113.2	V211 E212 R224 I227 T228 V283 K286	V211-Y215 WeakPolarHBondContact O-CB 3.43Å; V211-Y215 PolarHBondContact O-N 3.23Å; E212-Y215 PolarHBondContact O-N 3.08Å; Y215-R224 HydrophobicContact CD2-CB 3.99Å; Y215-R224 HydrophobicContact CD2-CG 3.84Å; Y215-R224 HydrophobicContact CE2-CB 3.59Å; Y215-R224 HydrophobicContact CE2-CG 3.74Å; Y215-R224 HydrophobicContact CG-CG 4.5Å; Y215-R224 PolarHBondContact O-NE 3.19Å; Y215-R224 VanDerWaalsContact O-NE 3.15Å; Y215-R224 PolarHBondContact O-NH2 3.39Å; Y215-I227 HydrophobicContact CD2-CB 4.37Å; Y215-I227 HydrophobicContact CD2-CD1 4.34Å; Y215-I227 HydrophobicContact CD2-CG2 4.16Å; Y215-T228 HydrophobicContact CE2-CG2 3.8Å; Y215-V283 HydrophobicContact CD1-CB 3.67Å; Y215-V283 HydrophobicContact CD1-CG2 4.28Å; Y215-V283 HydrophobicContact CD2-CB 3.98Å; Y215-V283 HydrophobicContact CD2-CG2 3.66Å; Y215-V283 HydrophobicContact CE1-CB 4.05Å; Y215-V283 HydrophobicContact CE2-CB 4.33Å; Y215-V283 HydrophobicContact CE2-CG2 3.95Å; Y215-V283 HydrophobicContact CG-CB 3.64Å; Y215-V283 HydrophobicContact CG-CG2 3.84Å; Y215-K286 WeakPolarHBondContact OH-CG 3.29Å
216	N	97.9	Very high	97.2	Very high	76 Å²	76	42.3 Å²	42.3	41%	0.406	22%	0.223	S	C	.	.	I	π-helix	trans	-78.3	-46.2	-171	-178.8	68.1	0	0	0	112.4	E212 R224	E212-N216 VanDerWaalsContact O-CB 3.29Å; E212-N216 WeakPolarHBondContact O-CB 3.38Å; E212-N216 PolarHBondContact O-N 3.47Å; N216-R224 PolarHBondContact O-NH2 3.09Å
217	D	97.7	Very high	97.4	Very high	91 Å²	91	41.6 Å²	41.6	49%	0.487	22%	0.218	S	C	.	.	I	π-helix	trans	-98.5	-18.6	-168.5	-63.3	-123.2	0	0	0	113.9	Y213	Y213-D217 HydrophobicContact CD2-CB 3.91Å; Y213-D217 HydrophobicContact CE2-CB 3.66Å; Y213-D217 VanDerWaalsContact CE2-CG 3.47Å; Y213-D217 WeakPolarHBondContact CE2-OD1 3.45Å; Y213-D217 WeakPolarHBondContact O-CB 3.34Å; Y213-D217 PolarHBondContact O-N 2.93Å; Y213-D217 VanDerWaalsContact O-N 3.14Å
218	K	97.9	Very high	97.4	Very high	67 Å²	67	41.8 Å²	41.8	29%	0.291	22%	0.219	S	C	.	.	I	π-helix	trans	-129.1	-37.4	-167.8	-60.3	-64.4	171.2	169.1	0	115.3	L179 M180 V187 Y213 A214 I220	L179-K218 HydrophobicContact CB-CG 4.49Å; L179-K218 VanDerWaalsContact O-CD 3.24Å; L179-K218 WeakPolarHBondContact O-CD 3.41Å; L179-K218 WeakPolarHBondContact O-CE 3.29Å; L179-K218 PolarHBondContact O-NZ 3.36Å; M180-K218 PolarHBondContact O-NZ 3.35Å; V187-K218 HydrophobicContact CG1-CB 4.01Å; Y213-K218 HydrophobicContact CE1-CG 4.09Å; Y213-K218 VanDerWaalsContact OH-CE 3.25Å; Y213-K218 WeakPolarHBondContact OH-CE 3.48Å; A214-K218 CarbonylContact O-C 3.51Å; A214-K218 PolarHBondContact O-N 3.1Å; K218-I220 PolarHBondContact O-N 2.97Å
219	A	97.9	Very high	97.3	Very high	6 Å²	6	42.3 Å²	42.3	5%	0.05	22%	0.223	C	C	.	.			trans	-72	129.3	-171.2	0	0	0	0	0	111.4	I191 A214 Q223 R224 I227	I191-A219 HydrophobicContact CD1-CB 4.1Å; A214-A219 WeakPolarHBondContact O-CB 3.37Å; A214-A219 PolarHBondContact O-N 3.4Å; A219-Q223 VanDerWaalsContact CA-OE1 3.32Å; A219-Q223 HydrophobicContact CB-CB 3.76Å; A219-R224 HydrophobicContact CB-CG 3.69Å; A219-R224 PolarHBondContact O-NE 3.33Å; A219-I227 HydrophobicContact CB-CD1 4.33Å
220	I	97.2	Very high	97.1	Very high	108 Å²	108	42.1 Å²	42.1	55%	0.554	22%	0.217	S	C	*	.			trans	-72.2	169.8	164.1	65.6	172.3	0	0	0	110.3	K218 A222 Q223 R224	K218-I220 PolarHBondContact O-N 2.97Å; I220-A222 PolarHBondContact O-N 2.88Å; I220-Q223 HydrophobicContact CG1-CB 4.22Å; I220-Q223 HydrophobicContact CG1-CG 3.91Å; I220-Q223 VanDerWaalsContact N-OE1 3.11Å; I220-Q223 WeakPolarHBondContact O-CB 3.49Å; I220-Q223 PolarHBondContact O-N 3.43Å; I220-R224 WeakPolarHBondContact O-CG 3.27Å; I220-R224 PolarHBondContact O-N 2.94Å
221	L	96.2	Very high	97.1	Very high	128 Å²	128	42 Å²	42	67%	0.67	22%	0.217	S	C	*	.	H	α-helix	trans	-51.3	-48.8	-176.6	-179.9	59.5	0	0	0	113.5	Q223 R224 L225	L221-Q223 VanDerWaalsContact C-N 3.29Å; L221-Q223 PolarHBondContact O-N 2.89Å; L221-R224 WeakPolarHBondContact O-CB 3.25Å; L221-R224 PolarHBondContact O-N 2.87Å; L221-R224 VanDerWaalsContact O-N 3.13Å; L221-L225 HydrophobicContact CD1-CD1 4.46Å; L221-L225 HydrophobicContact CD1-CG 4.33Å; L221-L225 HydrophobicContact CG-CD1 4.34Å; L221-L225 WeakPolarHBondContact O-CG 3.43Å; L221-L225 PolarHBondContact O-N 2.98Å
222	A	95.1	Very high	97	Very high	65 Å²	65	42.1 Å²	42.1	54%	0.537	22%	0.217	S	C	.	.	H	α-helix	trans	-59.4	-38.4	178.9	0	0	0	0	0	112.9	I220 M226	I220-A222 PolarHBondContact O-N 2.88Å; A222-M226 PolarHBondContact O-N 3.13Å
223	Q	97.3	Very high	96.9	Very high	27 Å²	27	41.2 Å²	41.2	13%	0.126	22%	0.215	C	C	.	.	H	α-helix	trans	-72.5	-35.5	176.9	-70.8	168.7	-18.4	0	0	111.8	I191 A219 I220 L221 M226 I227	I191-Q223 HydrophobicContact CD1-CB 4.01Å; I191-Q223 HydrophobicContact CD1-CG 4.13Å; I191-Q223 HydrophobicContact CG2-CB 4.35Å; I191-Q223 HydrophobicContact CG2-CG 4.48Å; A219-Q223 VanDerWaalsContact CA-OE1 3.32Å; A219-Q223 HydrophobicContact CB-CB 3.76Å; I220-Q223 HydrophobicContact CG1-CB 4.22Å; I220-Q223 HydrophobicContact CG1-CG 3.91Å; I220-Q223 VanDerWaalsContact N-OE1 3.11Å; I220-Q223 WeakPolarHBondContact O-CB 3.49Å; I220-Q223 PolarHBondContact O-N 3.43Å; L221-Q223 VanDerWaalsContact C-N 3.29Å; L221-Q223 PolarHBondContact O-N 2.89Å; Q223-M226 WeakPolarHBondContact O-CB 3.31Å; Q223-M226 PolarHBondContact O-N 3.06Å; Q223-I227 VanDerWaalsContact O-CG1 3.29Å; Q223-I227 WeakPolarHBondContact O-CG1 3.38Å; Q223-I227 PolarHBondContact O-N 3.42Å
224	R	97.9	Very high	96.8	Very high	87 Å²	87	46.2 Å²	46.2	33%	0.328	24%	0.243	S	C	.	.	H	α-helix	trans	-62.5	-44.8	173.4	-69.8	-178.4	-177.3	-151.9	-8.1	111.2	Y215 N216 A219 I220 L221 I227 T228	Y215-R224 HydrophobicContact CD2-CB 3.99Å; Y215-R224 HydrophobicContact CD2-CG 3.84Å; Y215-R224 HydrophobicContact CE2-CB 3.59Å; Y215-R224 HydrophobicContact CE2-CG 3.74Å; Y215-R224 HydrophobicContact CG-CG 4.5Å; Y215-R224 PolarHBondContact O-NE 3.19Å; Y215-R224 VanDerWaalsContact O-NE 3.15Å; Y215-R224 PolarHBondContact O-NH2 3.39Å; N216-R224 PolarHBondContact O-NH2 3.09Å; A219-R224 HydrophobicContact CB-CG 3.69Å; A219-R224 PolarHBondContact O-NE 3.33Å; I220-R224 WeakPolarHBondContact O-CG 3.27Å; I220-R224 PolarHBondContact O-N 2.94Å; L221-R224 WeakPolarHBondContact O-CB 3.25Å; L221-R224 PolarHBondContact O-N 2.87Å; L221-R224 VanDerWaalsContact O-N 3.13Å; R224-I227 PolarHBondContact O-N 3.33Å; R224-T228 PolarHBondContact O-N 3.03Å; R224-T228 PolarHBondContact O-OG1 3.47Å
225	L	95.9	Very high	96.7	Very high	37 Å²	37	47.1 Å²	47.1	19%	0.194	25%	0.249	C	C	.	.	H	α-helix	trans	-62.3	-41.3	175.1	-67.9	174	0	0	0	111.8	L221 I227 T228 S229 T246	L221-L225 HydrophobicContact CD1-CD1 4.46Å; L221-L225 HydrophobicContact CD1-CG 4.33Å; L221-L225 HydrophobicContact CG-CD1 4.34Å; L221-L225 WeakPolarHBondContact O-CG 3.43Å; L221-L225 PolarHBondContact O-N 2.98Å; L225-I227 PolarHBondContact O-N 3.43Å; L225-T228 PolarHBondContact O-N 3.27Å; L225-T228 PolarHBondContact O-OG1 2.92Å; L225-S229 VanDerWaalsContact O-CB 3.26Å; L225-S229 WeakPolarHBondContact O-CB 3.19Å; L225-S229 PolarHBondContact O-N 3.34Å; L225-T246 HydrophobicContact CD2-CG2 4.09Å
226	M	94.9	Very high	96.6	Very high	63 Å²	63	46.4 Å²	46.4	31%	0.31	25%	0.246	S	C	.	.	H	α-helix	trans	-57.1	-49.6	174.1	-178	-172.8	-69.9	0	0	111.1	I191 A222 Q223 S229	I191-M226 HydrophobicContact CG2-SD 4.06Å; A222-M226 PolarHBondContact O-N 3.13Å; Q223-M226 WeakPolarHBondContact O-CB 3.31Å; Q223-M226 PolarHBondContact O-N 3.06Å; M226-S229 PolarHBondContact O-N 3.37Å; M226-S229 PolarHBondContact O-OG 2.9Å
227	I	97.1	Very high	96.4	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-47.9	179.9	-69.6	165.8	0	0	0	111.5	I191 I198 V211 Y215 A219 Q223 R224 L225 S229 V283	I191-I227 HydrophobicContact CG2-CD1 4.25Å; I191-I227 HydrophobicContact CG2-CG1 4.15Å; I198-I227 HydrophobicContact CD1-CG1 4.27Å; I198-I227 HydrophobicContact CD1-CG2 4.15Å; I198-I227 HydrophobicContact CG2-CG2 4.14Å; V211-I227 HydrophobicContact CG1-CG2 3.93Å; Y215-I227 HydrophobicContact CD2-CB 4.37Å; Y215-I227 HydrophobicContact CD2-CD1 4.34Å; Y215-I227 HydrophobicContact CD2-CG2 4.16Å; A219-I227 HydrophobicContact CB-CD1 4.33Å; Q223-I227 VanDerWaalsContact O-CG1 3.29Å; Q223-I227 WeakPolarHBondContact O-CG1 3.38Å; Q223-I227 PolarHBondContact O-N 3.42Å; R224-I227 PolarHBondContact O-N 3.33Å; L225-I227 PolarHBondContact O-N 3.43Å; I227-S229 VanDerWaalsContact C-N 3.34Å; I227-S229 PolarHBondContact O-N 2.86Å; I227-V283 HydrophobicContact CG2-CG2 3.69Å
228	T	97.3	Very high	96.3	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-74.4	-24.2	-177.5	56.7	0	0	0	0	112.9	Y215 R224 L225 E230 L231 Y232 V283 V287	Y215-T228 HydrophobicContact CE2-CG2 3.8Å; R224-T228 PolarHBondContact O-N 3.03Å; R224-T228 PolarHBondContact O-OG1 3.47Å; L225-T228 PolarHBondContact O-N 3.27Å; L225-T228 PolarHBondContact O-OG1 2.92Å; T228-E230 PolarHBondContact O-N 3.19Å; T228-E230 VanDerWaalsContact O-N 3.14Å; T228-L231 VanDerWaalsContact O-CB 3.31Å; T228-L231 WeakPolarHBondContact O-CB 3.38Å; T228-L231 PolarHBondContact O-N 3.37Å; T228-Y232 WeakPolarHBondContact O-CD2 3.34Å; T228-Y232 VanDerWaalsContact O-CE2 3.28Å; T228-Y232 WeakPolarHBondContact O-CE2 3.24Å; T228-V283 HydrophobicContact CG2-CG2 4.01Å; T228-V287 HydrophobicContact CG2-CG2 3.98Å
229	S	95.3	Very high	96.1	Very high	12 Å²	12	46.3 Å²	46.3	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-56.1	-34.3	-175.9	74.2	0	0	0	0	114.2	L225 M226 I227 L231 K240	L225-S229 VanDerWaalsContact O-CB 3.26Å; L225-S229 WeakPolarHBondContact O-CB 3.19Å; L225-S229 PolarHBondContact O-N 3.34Å; M226-S229 PolarHBondContact O-N 3.37Å; M226-S229 PolarHBondContact O-OG 2.9Å; I227-S229 VanDerWaalsContact C-N 3.34Å; I227-S229 PolarHBondContact O-N 2.86Å; S229-L231 PolarHBondContact O-N 3.43Å; S229-K240 PolarHBondContact OG-NZ 3.4Å
230	E	93.9	Very high	95.9	Very high	40 Å²	40	49.8 Å²	49.8	19%	0.187	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.2	178.1	-70.6	179.5	-130.7	0	0	113.9	S195 G196 H197 I198 T228	S195-E230 VanDerWaalsContact CA-OE1 3.3Å; S195-E230 WeakPolarHBondContact CA-OE1 3.5Å; G196-E230 VanDerWaalsContact CA-OE2 3.32Å; G196-E230 WeakPolarHBondContact CA-OE2 3.5Å; G196-E230 PolarHBondContact N-OE1 3.29Å; G196-E230 PolarHBondContact N-OE2 3.12Å; H197-E230 PolarHBondContact N-OE2 3.37Å; I198-E230 HydrophobicContact CB-CB 4.32Å; I198-E230 WeakPolarHBondContact CB-OE2 3.5Å; I198-E230 VanDerWaalsContact CG1-OE1 3.23Å; I198-E230 WeakPolarHBondContact CG1-OE1 3.33Å; I198-E230 PolarHBondContact N-OE2 3.38Å; T228-E230 PolarHBondContact O-N 3.19Å; T228-E230 VanDerWaalsContact O-N 3.14Å
231	L	97.3	Very high	95.7	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-11.3	-174.4	-54	179.2	0	0	0	113.3	I198 R199 L202 T228 S229 V268 V287	I198-L231 HydrophobicContact CG2-CD2 4.26Å; R199-L231 HydrophobicContact CB-CD2 4.33Å; L202-L231 HydrophobicContact CD1-CD1 3.66Å; L202-L231 HydrophobicContact CD1-CD2 3.85Å; L202-L231 HydrophobicContact CD1-CG 4.4Å; T228-L231 VanDerWaalsContact O-CB 3.31Å; T228-L231 WeakPolarHBondContact O-CB 3.38Å; T228-L231 PolarHBondContact O-N 3.37Å; S229-L231 PolarHBondContact O-N 3.43Å; L231-V268 HydrophobicContact CB-CG1 4.39Å; L231-V268 HydrophobicContact CD2-CG1 3.94Å; L231-V287 HydrophobicContact CB-CG1 4.01Å; L231-V287 HydrophobicContact CB-CG2 4.01Å; L231-V287 HydrophobicContact CD1-CG2 3.76Å; L231-V287 HydrophobicContact CG-CG2 4.5Å
232	Y	97.6	Very high	95.2	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.016	27%	0.266	C	S	.	.	S	Bend	trans	-92.2	2.7	179.6	-54.5	-68.9	0	0	0	114.3	T228 Y236 L247 T265 V287 D290	T228-Y232 WeakPolarHBondContact O-CD2 3.34Å; T228-Y232 VanDerWaalsContact O-CE2 3.28Å; T228-Y232 WeakPolarHBondContact O-CE2 3.24Å; Y232-Y236 VanDerWaalsContact CB-CG 3.44Å; Y232-Y236 AromaticContact CD2-CD1 3.9Å; Y232-Y236 HydrophobicContact CD2-CD1 3.9Å; Y232-Y236 HydrophobicContact CD2-CD2 4.45Å; Y232-Y236 AromaticContact CD2-CE1 3.65Å; Y232-Y236 HydrophobicContact CD2-CE1 3.65Å; Y232-Y236 HydrophobicContact CD2-CE2 4.25Å; Y232-Y236 HydrophobicContact CD2-CG 4.29Å; Y232-Y236 AromaticContact CD2-CZ 3.83Å; Y232-Y236 HydrophobicContact CE2-CE1 4.47Å; Y232-Y236 HydrophobicContact CG-CD1 4.23Å; Y232-Y236 HydrophobicContact CG-CD2 4.37Å; Y232-Y236 HydrophobicContact CG-CE1 4.38Å; Y232-Y236 HydrophobicContact CG-CG 4.22Å; Y232-Y236 WeakPolarHBondContact O-CB 3.35Å; Y232-L247 HydrophobicContact CD1-CB 4.43Å; Y232-L247 HydrophobicContact CD1-CD1 4.08Å; Y232-L247 HydrophobicContact CD1-CD2 4.03Å; Y232-L247 HydrophobicContact CD1-CG 4.41Å; Y232-L247 HydrophobicContact CE1-CB 4.15Å; Y232-L247 HydrophobicContact CE1-CD2 3.96Å; Y232-L247 HydrophobicContact CE1-CG 4.46Å; Y232-L247 HydrophobicContact CG-CD1 4.37Å; Y232-T265 VanDerWaalsContact CA-OG1 3.3Å; Y232-T265 WeakPolarHBondContact CA-OG1 3.32Å; Y232-T265 HydrophobicContact CD1-CG2 4.29Å; Y232-T265 PolarHBondContact O-OG1 3.22Å; Y232-V287 HydrophobicContact CD1-CG1 4.12Å; Y232-V287 HydrophobicContact CE1-CB 4.49Å; Y232-V287 HydrophobicContact CE1-CG1 3.83Å; Y232-V287 HydrophobicContact CE1-CG2 4.36Å; Y232-D290 HydrophobicContact CE1-CB 4.01Å; Y232-D290 WeakPolarHBondContact CE1-OD2 3.22Å; Y232-D290 PolarHBondContact OH-OD2 2.85Å
233	G	95.2	Very high	94.8	Very high	9 Å²	9	53.8 Å²	53.8	9%	0.093	28%	0.278	C	S	.	.	H	α-helix	trans	94.8	178.4	176.9	0	0	0	0	0	115.7	T237 E264	G233-T237 PolarHBondContact O-N 3.24Å; G233-T237 PolarHBondContact O-OG1 3.41Å; G233-E264 WeakPolarHBondContact CA-OE2 3.37Å
234	N	95.4	Very high	94.4	Very high	126 Å²	126	58.2 Å²	58.2	67%	0.674	29%	0.293	S	S	*	.	H	α-helix	trans	-74.8	-40.8	-178	-69.3	-19.5	0	0	0	110.9	Y236 T237 I238 E264	N234-Y236 VanDerWaalsContact C-N 3.32Å; N234-Y236 PolarHBondContact O-N 2.99Å; N234-T237 WeakPolarHBondContact O-CA 3.31Å; N234-T237 WeakPolarHBondContact O-CB 3.26Å; N234-T237 PolarHBondContact O-N 3.03Å; N234-I238 WeakPolarHBondContact O-CG1 3.42Å; N234-I238 PolarHBondContact O-N 3.02Å; N234-E264 PolarHBondContact N-OE2 3.07Å
235	T	96.5	Very high	94.1	Very high	20 Å²	20	57.2 Å²	57.2	12%	0.123	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-43.7	178.6	-63.3	0	0	0	0	110.6	T237 I238 C239 K257 N260 I261 E264	T235-T237 VanDerWaalsContact C-N 3.28Å; T235-T237 PolarHBondContact O-N 3.47Å; T235-I238 PolarHBondContact O-N 3.39Å; T235-C239 PolarHBondContact O-N 3.03Å; T235-C239 PolarHBondContact O-SG 3.07Å; T235-C239 VanDerWaalsContact O-SG 3.38Å; T235-K257 HydrophobicContact CG2-CB 4.17Å; T235-K257 HydrophobicContact CG2-CD 4.38Å; T235-K257 HydrophobicContact CG2-CG 4.41Å; T235-N260 PolarHBondContact OG1-ND2 3.26Å; T235-I261 HydrophobicContact CG2-CD1 4.19Å; T235-I261 HydrophobicContact CG2-CG1 3.59Å; T235-E264 WeakPolarHBondContact CB-OE1 3.19Å; T235-E264 PolarHBondContact N-OE2 2.95Å; T235-E264 PolarHBondContact OG1-OE1 3.29Å
236	Y	97.2	Very high	94.1	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-57.1	-42.4	171.7	175.8	-95.9	0	0	0	112.3	Y232 N234 I238 C239 K240 N245 L247 V250	Y232-Y236 VanDerWaalsContact CB-CG 3.44Å; Y232-Y236 AromaticContact CD2-CD1 3.9Å; Y232-Y236 HydrophobicContact CD2-CD1 3.9Å; Y232-Y236 HydrophobicContact CD2-CD2 4.45Å; Y232-Y236 AromaticContact CD2-CE1 3.65Å; Y232-Y236 HydrophobicContact CD2-CE1 3.65Å; Y232-Y236 HydrophobicContact CD2-CE2 4.25Å; Y232-Y236 HydrophobicContact CD2-CG 4.29Å; Y232-Y236 AromaticContact CD2-CZ 3.83Å; Y232-Y236 HydrophobicContact CE2-CE1 4.47Å; Y232-Y236 HydrophobicContact CG-CD1 4.23Å; Y232-Y236 HydrophobicContact CG-CD2 4.37Å; Y232-Y236 HydrophobicContact CG-CE1 4.38Å; Y232-Y236 HydrophobicContact CG-CG 4.22Å; Y232-Y236 WeakPolarHBondContact O-CB 3.35Å; N234-Y236 VanDerWaalsContact C-N 3.32Å; N234-Y236 PolarHBondContact O-N 2.99Å; Y236-I238 VanDerWaalsContact C-N 3.27Å; Y236-I238 PolarHBondContact O-N 3Å; Y236-C239 PolarHBondContact O-N 3.3Å; Y236-K240 HydrophobicContact CD1-CD 4.37Å; Y236-K240 HydrophobicContact CE1-CB 4.26Å; Y236-K240 HydrophobicContact CE1-CD 3.95Å; Y236-K240 WeakPolarHBondContact O-CB 3.46Å; Y236-K240 PolarHBondContact O-N 3.46Å; Y236-N245 VanDerWaalsContact OH-C 3.25Å; Y236-N245 PolarHBondContact OH-O 3.47Å; Y236-L247 HydrophobicContact CD2-CD1 3.92Å; Y236-L247 HydrophobicContact CE2-CB 4.48Å; Y236-L247 HydrophobicContact CE2-CD1 4.15Å; Y236-V250 HydrophobicContact CD2-CB 4.07Å; Y236-V250 HydrophobicContact CD2-CG1 3.81Å; Y236-V250 HydrophobicContact CD2-CG2 4.22Å; Y236-V250 HydrophobicContact CE2-CB 3.77Å; Y236-V250 HydrophobicContact CE2-CG1 4.03Å; Y236-V250 HydrophobicContact CE2-CG2 3.61Å
237	T	94.4	Very high	94.1	Very high	64 Å²	64	54.7 Å²	54.7	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-64.9	-31.3	-179.9	-63.1	0	0	0	0	112.7	G233 N234 T235	G233-T237 PolarHBondContact O-N 3.24Å; G233-T237 PolarHBondContact O-OG1 3.41Å; N234-T237 WeakPolarHBondContact O-CA 3.31Å; N234-T237 WeakPolarHBondContact O-CB 3.26Å; N234-T237 PolarHBondContact O-N 3.03Å; T235-T237 VanDerWaalsContact C-N 3.28Å; T235-T237 PolarHBondContact O-N 3.47Å
238	I	94.8	Very high	94.1	Very high	142 Å²	142	60.6 Å²	60.6	73%	0.728	31%	0.312	S	S	*	.	H	α-helix	trans	-75.1	-39.6	175	-65.5	165.1	0	0	0	110.8	N234 T235 Y236	N234-I238 WeakPolarHBondContact O-CG1 3.42Å; N234-I238 PolarHBondContact O-N 3.02Å; T235-I238 PolarHBondContact O-N 3.39Å; Y236-I238 VanDerWaalsContact C-N 3.27Å; Y236-I238 PolarHBondContact O-N 3Å
239	C	93.9	Very high	94	Very high	27 Å²	27	62.9 Å²	62.9	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-81.5	-20.3	-176.5	-66	0	0	0	0	114.3	T235 Y236 V250	T235-C239 PolarHBondContact O-N 3.03Å; T235-C239 PolarHBondContact O-SG 3.07Å; T235-C239 VanDerWaalsContact O-SG 3.38Å; Y236-C239 PolarHBondContact O-N 3.3Å; C239-V250 HydrophobicContact CB-CG1 3.62Å
240	K	93.6	Very high	94.1	Very high	78 Å²	78	62.3 Å²	62.3	34%	0.339	32%	0.321	S	S	.	.			trans	-70.6	148.6	-179.6	78	-177.2	-175.8	-174.5	0	111.8	S229 Y236 R244 V250	S229-K240 PolarHBondContact OG-NZ 3.4Å; Y236-K240 HydrophobicContact CD1-CD 4.37Å; Y236-K240 HydrophobicContact CE1-CB 4.26Å; Y236-K240 HydrophobicContact CE1-CD 3.95Å; Y236-K240 WeakPolarHBondContact O-CB 3.46Å; Y236-K240 PolarHBondContact O-N 3.46Å; K240-R244 WeakPolarHBondContact CA-O 3.29Å; K240-V250 HydrophobicContact CB-CG2 4.14Å
241	S	92.1	Very high	94.3	Very high	49 Å²	49	60.8 Å²	60.8	34%	0.343	31%	0.314	S	S	.	.			trans	-135.7	178.1	173.3	62.8	0	0	0	0	110.3	E243 R244	S241-E243 VanDerWaalsContact C-N 3.27Å; S241-E243 PolarHBondContact O-N 3.26Å; S241-R244 PolarHBondContact N-O 3Å; S241-R244 CarbonylContact O-C 3.15Å; S241-R244 VanDerWaalsContact O-C 3.31Å; S241-R244 PolarHBondContact O-N 3.23Å; S241-R244 VanDerWaalsContact O-O 3.09Å; S241-R244 WeakPolarHBondContact OG-CB 3.42Å; S241-R244 PolarHBondContact OG-N 3.42Å; S241-R244 VanDerWaalsContact OG-N 3.08Å
242	L	86.3	Confident	94.2	Very high	169 Å²	169	64.7 Å²	64.7	89%	0.885	35%	0.347	S	S	*	.	S	Bend	trans	-62.1	-37.4	176.5	-69.4	173.4	0	0	0	112.1	N245	L242-N245 PolarHBondContact O-ND2 3.12Å
243	E	87	Confident	94.1	Very high	168 Å²	168	66.6 Å²	66.6	79%	0.785	36%	0.364	S	S	*	.	S	Bend	trans	-81.6	-32.9	178.9	-63.9	171.6	-174.8	0	0	112.4	S241	S241-E243 VanDerWaalsContact C-N 3.27Å; S241-E243 PolarHBondContact O-N 3.26Å
244	R	89.6	Confident	94.2	Very high	119 Å²	119	67.8 Å²	67.8	45%	0.449	37%	0.368	S	S	.	.			trans	-114.9	85.2	-179.4	-54	-177.9	-169	107.6	6.4	110.1	K240 S241 V250	K240-R244 WeakPolarHBondContact CA-O 3.29Å; S241-R244 PolarHBondContact N-O 3Å; S241-R244 CarbonylContact O-C 3.15Å; S241-R244 VanDerWaalsContact O-C 3.31Å; S241-R244 PolarHBondContact O-N 3.23Å; S241-R244 VanDerWaalsContact O-O 3.09Å; S241-R244 WeakPolarHBondContact OG-CB 3.42Å; S241-R244 PolarHBondContact OG-N 3.42Å; S241-R244 VanDerWaalsContact OG-N 3.08Å; R244-V250 HydrophobicContact CB-CG2 4.29Å; R244-V250 WeakPolarHBondContact O-CG2 3.41Å
245	N	90.6	Very high	94.2	Very high	66 Å²	66	66 Å²	66	35%	0.353	36%	0.363	S	S	.	.			trans	-121.5	10.6	-172.5	62.6	23	0	0	0	113.8	Y236 L242	Y236-N245 VanDerWaalsContact OH-C 3.25Å; Y236-N245 PolarHBondContact OH-O 3.47Å; L242-N245 PolarHBondContact O-ND2 3.12Å
246	T	95.3	Very high	94.2	Very high	44 Å²	44	71.2 Å²	71.2	27%	0.27	39%	0.386	S	S	.	.	S	Bend	trans	-113.4	151.9	171.4	70.5	0	0	0	0	110.4	L225 E248 T249 V250	L225-T246 HydrophobicContact CD2-CG2 4.09Å; T246-E248 VanDerWaalsContact C-N 3.3Å; T246-E248 PolarHBondContact O-N 3.5Å; T246-T249 PolarHBondContact N-OG1 2.92Å; T246-T249 PolarHBondContact O-N 3.16Å; T246-T249 PolarHBondContact O-OG1 3.1Å; T246-T249 VanDerWaalsContact OG1-CG2 3.31Å; T246-T249 WeakPolarHBondContact OG1-CG2 3.44Å; T246-T249 PolarHBondContact OG1-N 2.89Å; T246-T249 PolarHBondContact OG1-OG1 3.05Å; T246-V250 WeakPolarHBondContact O-CG2 3.18Å; T246-V250 PolarHBondContact O-N 3.34Å
247	L	96.3	Very high	94.2	Very high	3 Å²	3	75.3 Å²	75.3	2%	0.016	40%	0.404	C	S	.	.	H	α-helix	trans	-54.1	-47	178.3	-174.8	65.6	0	0	0	111.9	Y232 Y236 T249 V250 L251 I261 L262 D290 F294	Y232-L247 HydrophobicContact CD1-CB 4.43Å; Y232-L247 HydrophobicContact CD1-CD1 4.08Å; Y232-L247 HydrophobicContact CD1-CD2 4.03Å; Y232-L247 HydrophobicContact CD1-CG 4.41Å; Y232-L247 HydrophobicContact CE1-CB 4.15Å; Y232-L247 HydrophobicContact CE1-CD2 3.96Å; Y232-L247 HydrophobicContact CE1-CG 4.46Å; Y232-L247 HydrophobicContact CG-CD1 4.37Å; Y236-L247 HydrophobicContact CD2-CD1 3.92Å; Y236-L247 HydrophobicContact CE2-CB 4.48Å; Y236-L247 HydrophobicContact CE2-CD1 4.15Å; L247-T249 PolarHBondContact O-N 3.47Å; L247-V250 PolarHBondContact O-N 3.15Å; L247-L251 HydrophobicContact CD1-CD1 3.97Å; L247-L251 HydrophobicContact CD1-CD2 4.38Å; L247-L251 HydrophobicContact CD1-CG 3.95Å; L247-L251 HydrophobicContact CD2-CD1 4.25Å; L247-L251 HydrophobicContact CG-CD1 3.73Å; L247-L251 HydrophobicContact CG-CG 4.1Å; L247-L251 WeakPolarHBondContact O-CB 3.4Å; L247-L251 VanDerWaalsContact O-CG 3.24Å; L247-L251 WeakPolarHBondContact O-CG 3.44Å; L247-L251 PolarHBondContact O-N 3.44Å; L247-I261 HydrophobicContact CD1-CG2 3.78Å; L247-L262 HydrophobicContact CD2-CD2 4.2Å; L247-D290 HydrophobicContact CD2-CB 3.72Å; L247-F294 HydrophobicContact CD2-CD2 3.77Å; L247-F294 HydrophobicContact CD2-CE2 4.28Å; L247-F294 HydrophobicContact CG-CD2 4.24Å
248	E	96.4	Very high	94.3	Very high	127 Å²	127	74.4 Å²	74.4	59%	0.593	40%	0.397	S	S	*	.	H	α-helix	trans	-53.9	-54.3	177.5	-175.6	178.3	-169	0	0	112.3	T246 V250 L251 A252 F294	T246-E248 VanDerWaalsContact C-N 3.3Å; T246-E248 PolarHBondContact O-N 3.5Å; E248-V250 VanDerWaalsContact C-N 3.3Å; E248-V250 PolarHBondContact O-N 3.34Å; E248-L251 PolarHBondContact O-N 3.47Å; E248-A252 WeakPolarHBondContact O-CB 3.46Å; E248-A252 PolarHBondContact O-N 3.24Å; E248-F294 HydrophobicContact CB-CE1 4.33Å; E248-F294 HydrophobicContact CB-CE2 4.36Å; E248-F294 HydrophobicContact CB-CZ 3.66Å; E248-F294 HydrophobicContact CG-CE1 4.19Å; E248-F294 HydrophobicContact CG-CZ 3.9Å
249	T	96.5	Very high	94.4	Very high	51 Å²	51	73.9 Å²	73.9	31%	0.313	39%	0.391	S	S	.	.	H	α-helix	trans	-66.3	-31.1	-178.2	58.2	0	0	0	0	113.3	T246 L247 A253	T246-T249 PolarHBondContact N-OG1 2.92Å; T246-T249 PolarHBondContact O-N 3.16Å; T246-T249 PolarHBondContact O-OG1 3.1Å; T246-T249 VanDerWaalsContact OG1-CG2 3.31Å; T246-T249 WeakPolarHBondContact OG1-CG2 3.44Å; T246-T249 PolarHBondContact OG1-N 2.89Å; T246-T249 PolarHBondContact OG1-OG1 3.05Å; L247-T249 PolarHBondContact O-N 3.47Å; T249-A253 PolarHBondContact O-N 3.41Å
250	V	97.1	Very high	94.6	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-73.5	-43.8	177.2	171.1	0	0	0	0	110.6	Y236 C239 K240 R244 T246 L247 E248 A253 N254 I261	Y236-V250 HydrophobicContact CD2-CB 4.07Å; Y236-V250 HydrophobicContact CD2-CG1 3.81Å; Y236-V250 HydrophobicContact CD2-CG2 4.22Å; Y236-V250 HydrophobicContact CE2-CB 3.77Å; Y236-V250 HydrophobicContact CE2-CG1 4.03Å; Y236-V250 HydrophobicContact CE2-CG2 3.61Å; C239-V250 HydrophobicContact CB-CG1 3.62Å; K240-V250 HydrophobicContact CB-CG2 4.14Å; R244-V250 HydrophobicContact CB-CG2 4.29Å; R244-V250 WeakPolarHBondContact O-CG2 3.41Å; T246-V250 WeakPolarHBondContact O-CG2 3.18Å; T246-V250 PolarHBondContact O-N 3.34Å; L247-V250 PolarHBondContact O-N 3.15Å; E248-V250 VanDerWaalsContact C-N 3.3Å; E248-V250 PolarHBondContact O-N 3.34Å; V250-A253 PolarHBondContact O-N 3.19Å; V250-N254 PolarHBondContact O-N 2.81Å; V250-N254 VanDerWaalsContact O-N 3.08Å; V250-N254 PolarHBondContact O-ND2 3.14Å; V250-I261 HydrophobicContact CG1-CD1 4.28Å
251	L	96.6	Very high	94.8	Very high	8 Å²	8	72.6 Å²	72.6	4%	0.042	39%	0.386	C	S	.	.	H	α-helix	trans	-65.3	-42.2	177	-69.6	179.3	0	0	0	111.7	L247 E248 A253 N254 L258 I261 F294	L247-L251 HydrophobicContact CD1-CD1 3.97Å; L247-L251 HydrophobicContact CD1-CD2 4.38Å; L247-L251 HydrophobicContact CD1-CG 3.95Å; L247-L251 HydrophobicContact CD2-CD1 4.25Å; L247-L251 HydrophobicContact CG-CD1 3.73Å; L247-L251 HydrophobicContact CG-CG 4.1Å; L247-L251 WeakPolarHBondContact O-CB 3.4Å; L247-L251 VanDerWaalsContact O-CG 3.24Å; L247-L251 WeakPolarHBondContact O-CG 3.44Å; L247-L251 PolarHBondContact O-N 3.44Å; E248-L251 PolarHBondContact O-N 3.47Å; L251-A253 PolarHBondContact O-N 3Å; L251-N254 CarbonylContact O-C 3.15Å; L251-N254 VanDerWaalsContact O-C 3.27Å; L251-N254 PolarHBondContact O-N 2.88Å; L251-N254 VanDerWaalsContact O-N 3.14Å; L251-L258 HydrophobicContact CD2-CB 4.07Å; L251-L258 HydrophobicContact CD2-CG 4.1Å; L251-I261 HydrophobicContact CD2-CB 4.3Å; L251-I261 HydrophobicContact CD2-CD1 3.93Å; L251-I261 HydrophobicContact CD2-CG2 4.28Å; L251-F294 HydrophobicContact CD1-CB 3.6Å; L251-F294 HydrophobicContact CD1-CD1 4.01Å; L251-F294 HydrophobicContact CD1-CD2 3.96Å; L251-F294 HydrophobicContact CD1-CG 3.57Å
252	A	95.7	Very high	95.1	Very high	82 Å²	82	70.2 Å²	70.2	68%	0.678	37%	0.369	S	S	*	.	H	α-helix	trans	-60	-33.9	177.1	0	0	0	0	0	112.7	E248	E248-A252 WeakPolarHBondContact O-CB 3.46Å; E248-A252 PolarHBondContact O-N 3.24Å
253	A	96.1	Very high	95.6	Very high	45 Å²	45	64.9 Å²	64.9	37%	0.372	34%	0.34	S	S	.	.	H	α-helix	trans	-85.1	-17.4	177.9	0	0	0	0	0	114.1	T249 V250 L251	T249-A253 PolarHBondContact O-N 3.41Å; V250-A253 PolarHBondContact O-N 3.19Å; L251-A253 PolarHBondContact O-N 3Å
254	N	96.1	Very high	96.2	Very high	34 Å²	34	58.6 Å²	58.6	18%	0.182	31%	0.311	C	S	.	.			trans	-137	60.2	-175.5	-52.6	-99.8	0	0	0	110.4	V250 L251 E256 K257	V250-N254 PolarHBondContact O-N 2.81Å; V250-N254 VanDerWaalsContact O-N 3.08Å; V250-N254 PolarHBondContact O-ND2 3.14Å; L251-N254 CarbonylContact O-C 3.15Å; L251-N254 VanDerWaalsContact O-C 3.27Å; L251-N254 PolarHBondContact O-N 2.88Å; L251-N254 VanDerWaalsContact O-N 3.14Å; N254-E256 VanDerWaalsContact C-OE2 3.27Å; N254-E256 PolarHBondContact O-N 3.36Å; N254-K257 HydrophobicContact CB-CB 4.16Å; N254-K257 HydrophobicContact CB-CG 4.1Å; N254-K257 PolarHBondContact O-N 2.95Å
255	P	95.9	Very high	96.6	Very high	88 Å²	88	53 Å²	53	57%	0.571	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-60.1	-31.2	-173.8	25	-34.8	0	0	0	112.9	K257 L258	P255-K257 PolarHBondContact O-N 2.88Å; P255-L258 VanDerWaalsContact O-CB 3.28Å; P255-L258 WeakPolarHBondContact O-CB 3.33Å; P255-L258 PolarHBondContact O-N 2.92Å
256	E	96.9	Very high	96.9	Very high	130 Å²	130	50.9 Å²	50.9	61%	0.607	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-69.2	-15.5	177.3	79	-67.3	166.7	0	0	113.7	N254	N254-E256 VanDerWaalsContact C-OE2 3.27Å; N254-E256 PolarHBondContact O-N 3.36Å
257	K	96.8	Very high	97	Very high	88 Å²	88	54.1 Å²	54.1	38%	0.383	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-96.7	-2.9	177	-58.3	-58.4	-178.5	-174.6	0	113.3	T235 N254 P255 E259 N260 I261	T235-K257 HydrophobicContact CG2-CB 4.17Å; T235-K257 HydrophobicContact CG2-CD 4.38Å; T235-K257 HydrophobicContact CG2-CG 4.41Å; N254-K257 HydrophobicContact CB-CB 4.16Å; N254-K257 HydrophobicContact CB-CG 4.1Å; N254-K257 PolarHBondContact O-N 2.95Å; P255-K257 PolarHBondContact O-N 2.88Å; K257-E259 PolarHBondContact O-N 3.12Å; K257-N260 PolarHBondContact O-N 2.79Å; K257-I261 HydrophobicContact CB-CD1 3.91Å; K257-I261 HydrophobicContact CB-CG1 4.31Å; K257-I261 WeakPolarHBondContact O-CG1 3.38Å; K257-I261 PolarHBondContact O-N 3.09Å
258	L	96.8	Very high	97	Very high	45 Å²	45	54.1 Å²	54.1	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-54.7	-53.6	-172.7	-179.1	152.8	0	0	0	112.7	L251 P255 N260 I261 L262 P296	L251-L258 HydrophobicContact CD2-CB 4.07Å; L251-L258 HydrophobicContact CD2-CG 4.1Å; P255-L258 VanDerWaalsContact O-CB 3.28Å; P255-L258 WeakPolarHBondContact O-CB 3.33Å; P255-L258 PolarHBondContact O-N 2.92Å; L258-N260 VanDerWaalsContact C-N 3.29Å; L258-N260 PolarHBondContact O-N 3.44Å; L258-I261 PolarHBondContact O-N 2.63Å; L258-L262 HydrophobicContact CD2-CD1 3.76Å; L258-L262 HydrophobicContact CG-CD1 4.09Å; L258-L262 WeakPolarHBondContact O-CG 3.42Å; L258-L262 PolarHBondContact O-N 2.86Å; L258-P296 HydrophobicContact CD2-CG 3.65Å
259	E	96.6	Very high	97.1	Very high	130 Å²	130	48.1 Å²	48.1	61%	0.607	26%	0.261	S	S	*	.	H	α-helix	trans	-62.3	-39.1	-177.4	-62.7	-162.9	167.4	0	0	111.9	K257 E263 P296 Q299	K257-E259 PolarHBondContact O-N 3.12Å; E259-E263 WeakPolarHBondContact O-CB 3.43Å; E259-E263 PolarHBondContact O-N 2.99Å; E259-P296 HydrophobicContact CG-CG 4.22Å; E259-Q299 PolarHBondContact O-NE2 3.15Å
260	N	97.6	Very high	97.1	Very high	78 Å²	78	46.9 Å²	46.9	42%	0.417	25%	0.253	S	S	.	.	H	α-helix	trans	-69.4	-44.8	-179.4	-169.1	44.3	0	0	0	111.9	T235 K257 L258 L262 E263 E264	T235-N260 PolarHBondContact OG1-ND2 3.26Å; K257-N260 PolarHBondContact O-N 2.79Å; L258-N260 VanDerWaalsContact C-N 3.29Å; L258-N260 PolarHBondContact O-N 3.44Å; N260-L262 VanDerWaalsContact C-N 3.3Å; N260-L262 PolarHBondContact O-N 3.28Å; N260-E263 PolarHBondContact O-N 2.73Å; N260-E264 PolarHBondContact ND2-OE1 3.23Å; N260-E264 WeakPolarHBondContact O-CG 3.43Å; N260-E264 PolarHBondContact O-N 3.29Å
261	I	98.3	Very high	97.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-44.4	176.6	-71.6	169.6	0	0	0	110.4	T235 L247 V250 L251 K257 L258 E264 T265	T235-I261 HydrophobicContact CG2-CD1 4.19Å; T235-I261 HydrophobicContact CG2-CG1 3.59Å; L247-I261 HydrophobicContact CD1-CG2 3.78Å; V250-I261 HydrophobicContact CG1-CD1 4.28Å; L251-I261 HydrophobicContact CD2-CB 4.3Å; L251-I261 HydrophobicContact CD2-CD1 3.93Å; L251-I261 HydrophobicContact CD2-CG2 4.28Å; K257-I261 HydrophobicContact CB-CD1 3.91Å; K257-I261 HydrophobicContact CB-CG1 4.31Å; K257-I261 WeakPolarHBondContact O-CG1 3.38Å; K257-I261 PolarHBondContact O-N 3.09Å; L258-I261 PolarHBondContact O-N 2.63Å; I261-E264 PolarHBondContact O-N 3.22Å; I261-T265 WeakPolarHBondContact O-CB 3.33Å; I261-T265 PolarHBondContact O-N 2.96Å; I261-T265 PolarHBondContact O-OG1 3.06Å
262	L	98.3	Very high	97	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-74.1	-33.2	-177.7	-65.6	179.7	0	0	0	112.6	L247 L258 N260 T265 K266 F291 F294 A295	L247-L262 HydrophobicContact CD2-CD2 4.2Å; L258-L262 HydrophobicContact CD2-CD1 3.76Å; L258-L262 HydrophobicContact CG-CD1 4.09Å; L258-L262 WeakPolarHBondContact O-CG 3.42Å; L258-L262 PolarHBondContact O-N 2.86Å; N260-L262 VanDerWaalsContact C-N 3.3Å; N260-L262 PolarHBondContact O-N 3.28Å; L262-T265 WeakPolarHBondContact O-CB 3.5Å; L262-T265 PolarHBondContact O-N 3.38Å; L262-K266 WeakPolarHBondContact O-CB 3.5Å; L262-K266 PolarHBondContact O-N 3.13Å; L262-F291 HydrophobicContact CB-CD2 4.34Å; L262-F291 HydrophobicContact CB-CE2 4.14Å; L262-F291 HydrophobicContact CD2-CD2 4.22Å; L262-F291 WeakPolarHBondContact O-CE2 3.48Å; L262-F294 VanDerWaalsContact CD1-C 3.46Å; L262-F294 HydrophobicContact CD1-CB 3.95Å; L262-F294 VanDerWaalsContact CD1-O 3.31Å; L262-F294 WeakPolarHBondContact CD1-O 3.19Å; L262-A295 HydrophobicContact CD1-CB 4.44Å
263	E	98.2	Very high	96.9	Very high	56 Å²	56	44.9 Å²	44.9	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-65.6	-44.4	171.6	-178.6	53	-147.4	0	0	111.5	E259 N260 T265 K266 Q267	E259-E263 WeakPolarHBondContact O-CB 3.43Å; E259-E263 PolarHBondContact O-N 2.99Å; N260-E263 PolarHBondContact O-N 2.73Å; E263-T265 VanDerWaalsContact C-N 3.35Å; E263-T265 PolarHBondContact O-N 3.36Å; E263-K266 WeakPolarHBondContact O-CB 3.42Å; E263-K266 PolarHBondContact O-N 3.34Å; E263-K266 IonicContact OE2-NZ 3.99Å; E263-K266 PolarHBondContact OE2-NZ 2.98Å; E263-Q267 WeakPolarHBondContact O-CG 3.47Å; E263-Q267 PolarHBondContact O-N 3.32Å; E263-Q267 PolarHBondContact OE1-NE2 3.39Å
264	E	98.1	Very high	96.8	Very high	37 Å²	37	50 Å²	50	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-44.6	172.9	-72.6	179.5	-161.9	0	0	111.6	G233 N234 T235 N260 I261 K266 Q267 V268	G233-E264 WeakPolarHBondContact CA-OE2 3.37Å; N234-E264 PolarHBondContact N-OE2 3.07Å; T235-E264 WeakPolarHBondContact CB-OE1 3.19Å; T235-E264 PolarHBondContact N-OE2 2.95Å; T235-E264 PolarHBondContact OG1-OE1 3.29Å; N260-E264 PolarHBondContact ND2-OE1 3.23Å; N260-E264 WeakPolarHBondContact O-CG 3.43Å; N260-E264 PolarHBondContact O-N 3.29Å; I261-E264 PolarHBondContact O-N 3.22Å; E264-K266 VanDerWaalsContact C-N 3.34Å; E264-K266 PolarHBondContact O-N 3.22Å; E264-Q267 PolarHBondContact O-N 3Å; E264-V268 VanDerWaalsContact O-CG2 3.29Å; E264-V268 WeakPolarHBondContact O-CG2 3.37Å; E264-V268 PolarHBondContact O-N 3.27Å
265	T	98.3	Very high	96.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.7	-48	175.8	-60.2	0	0	0	0	110.6	Y232 I261 L262 E263 Q267 V268 I269 V287 F291	Y232-T265 VanDerWaalsContact CA-OG1 3.3Å; Y232-T265 WeakPolarHBondContact CA-OG1 3.32Å; Y232-T265 HydrophobicContact CD1-CG2 4.29Å; Y232-T265 PolarHBondContact O-OG1 3.22Å; I261-T265 WeakPolarHBondContact O-CB 3.33Å; I261-T265 PolarHBondContact O-N 2.96Å; I261-T265 PolarHBondContact O-OG1 3.06Å; L262-T265 WeakPolarHBondContact O-CB 3.5Å; L262-T265 PolarHBondContact O-N 3.38Å; E263-T265 VanDerWaalsContact C-N 3.35Å; E263-T265 PolarHBondContact O-N 3.36Å; T265-Q267 PolarHBondContact O-N 2.99Å; T265-V268 WeakPolarHBondContact O-CA 3.41Å; T265-V268 WeakPolarHBondContact O-CB 3.43Å; T265-V268 PolarHBondContact O-N 2.85Å; T265-I269 HydrophobicContact CG2-CD1 4.11Å; T265-I269 WeakPolarHBondContact O-CG1 3.46Å; T265-I269 PolarHBondContact O-N 3.3Å; T265-V287 HydrophobicContact CG2-CG1 4Å; T265-F291 HydrophobicContact CG2-CD2 4.3Å
266	K	97.9	Very high	96.5	Very high	23 Å²	23	53.1 Å²	53.1	10%	0.1	26%	0.255	C	S	.	.	H	α-helix	trans	-57.1	-46.7	176.9	173.3	176.5	160.6	-140.6	0	111.7	L262 E263 E264 V268 I269 V270 F291 E302 M303	L262-K266 WeakPolarHBondContact O-CB 3.5Å; L262-K266 PolarHBondContact O-N 3.13Å; E263-K266 WeakPolarHBondContact O-CB 3.42Å; E263-K266 PolarHBondContact O-N 3.34Å; E263-K266 IonicContact OE2-NZ 3.99Å; E263-K266 PolarHBondContact OE2-NZ 2.98Å; E264-K266 VanDerWaalsContact C-N 3.34Å; E264-K266 PolarHBondContact O-N 3.22Å; K266-V268 PolarHBondContact O-N 3.2Å; K266-I269 PolarHBondContact O-N 3.29Å; K266-V270 HydrophobicContact CG-CG2 3.88Å; K266-V270 WeakPolarHBondContact O-CB 3.39Å; K266-V270 VanDerWaalsContact O-CG2 3.27Å; K266-V270 WeakPolarHBondContact O-CG2 3.35Å; K266-V270 PolarHBondContact O-N 3.01Å; K266-F291 HydrophobicContact CB-CD2 4.46Å; K266-F291 HydrophobicContact CB-CE2 3.78Å; K266-F291 HydrophobicContact CB-CZ 4.28Å; K266-F291 HydrophobicContact CD-CZ 4.32Å; K266-E302 IonicContact NZ-OE2 3.78Å; K266-E302 PolarHBondContact NZ-OE2 2.98Å; K266-M303 HydrophobicContact CB-CE 3.79Å; K266-M303 HydrophobicContact CD-CE 4.4Å; K266-M303 HydrophobicContact CG-CE 3.65Å
267	Q	97	Very high	96.3	Very high	111 Å²	111	52.8 Å²	52.8	52%	0.519	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-25.8	175.7	-67.1	173.7	13.8	0	0	113.2	E263 E264 T265	E263-Q267 WeakPolarHBondContact O-CG 3.47Å; E263-Q267 PolarHBondContact O-N 3.32Å; E263-Q267 PolarHBondContact OE1-NE2 3.39Å; E264-Q267 PolarHBondContact O-N 3Å; T265-Q267 PolarHBondContact O-N 2.99Å
268	V	96.9	Very high	96.2	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.024	24%	0.235	C	C	.	.	H	α-helix	trans	-76.1	-48.2	173	178.9	0	0	0	0	112	R199 L231 E264 T265 K266	R199-V268 HydrophobicContact CG-CG1 3.97Å; L231-V268 HydrophobicContact CB-CG1 4.39Å; L231-V268 HydrophobicContact CD2-CG1 3.94Å; E264-V268 VanDerWaalsContact O-CG2 3.29Å; E264-V268 WeakPolarHBondContact O-CG2 3.37Å; E264-V268 PolarHBondContact O-N 3.27Å; T265-V268 WeakPolarHBondContact O-CA 3.41Å; T265-V268 WeakPolarHBondContact O-CB 3.43Å; T265-V268 PolarHBondContact O-N 2.85Å; K266-V268 PolarHBondContact O-N 3.2Å
269	I	96.9	Very high	96.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-91.6	-26.2	-165.9	68.9	-176.6	0	0	0	114.7	T265 K266 L272 A273 V287 F288 F291 M303	T265-I269 HydrophobicContact CG2-CD1 4.11Å; T265-I269 WeakPolarHBondContact O-CG1 3.46Å; T265-I269 PolarHBondContact O-N 3.3Å; K266-I269 PolarHBondContact O-N 3.29Å; I269-L272 HydrophobicContact CG2-CD1 4.46Å; I269-L272 WeakPolarHBondContact O-CA 3.44Å; I269-L272 VanDerWaalsContact O-CB 3.25Å; I269-L272 WeakPolarHBondContact O-CB 3.23Å; I269-L272 PolarHBondContact O-N 3.1Å; I269-A273 PolarHBondContact O-N 3.28Å; I269-V287 HydrophobicContact CD1-CG1 4.46Å; I269-V287 HydrophobicContact CG2-CB 4.37Å; I269-V287 HydrophobicContact CG2-CG1 3.68Å; I269-F288 HydrophobicContact CB-CE1 4.37Å; I269-F288 HydrophobicContact CB-CE2 4.07Å; I269-F288 HydrophobicContact CB-CZ 3.91Å; I269-F288 HydrophobicContact CD1-CD1 3.67Å; I269-F288 HydrophobicContact CD1-CD2 4.43Å; I269-F288 HydrophobicContact CD1-CE1 3.73Å; I269-F288 HydrophobicContact CD1-CE2 4.47Å; I269-F288 HydrophobicContact CD1-CG 4.04Å; I269-F288 HydrophobicContact CD1-CZ 4.12Å; I269-F288 HydrophobicContact CG1-CD1 4.28Å; I269-F288 HydrophobicContact CG1-CE1 3.8Å; I269-F288 HydrophobicContact CG1-CE2 4.38Å; I269-F288 HydrophobicContact CG1-CZ 3.84Å; I269-F288 WeakPolarHBondContact O-CZ 3.15Å; I269-F291 HydrophobicContact CD1-CB 4.08Å; I269-F291 HydrophobicContact CD1-CG 4.36Å; I269-M303 HydrophobicContact CD1-CE 3.78Å; I269-M303 HydrophobicContact CG1-CE 3.83Å
270	V	96.9	Very high	96.2	Very high	24 Å²	24	44.4 Å²	44.4	15%	0.145	21%	0.211	C	C	.	.	H	α-helix	trans	-56.1	-45.9	176.9	167.9	0	0	0	0	112.4	K266 L272 A273 M303	K266-V270 HydrophobicContact CG-CG2 3.88Å; K266-V270 WeakPolarHBondContact O-CB 3.39Å; K266-V270 VanDerWaalsContact O-CG2 3.27Å; K266-V270 WeakPolarHBondContact O-CG2 3.35Å; K266-V270 PolarHBondContact O-N 3.01Å; V270-L272 PolarHBondContact O-N 3.33Å; V270-L272 VanDerWaalsContact O-N 3.13Å; V270-A273 WeakPolarHBondContact O-CB 3.41Å; V270-A273 PolarHBondContact O-N 2.95Å; V270-M303 HydrophobicContact CG2-CE 3.93Å; V270-M303 HydrophobicContact CG2-SD 3.61Å
271	P	96.5	Very high	96.2	Very high	40 Å²	40	41.8 Å²	41.8	26%	0.26	20%	0.196	S	C	.	.	H	α-helix	trans	-61.8	-21.3	175	-24.7	35.2	0	0	0	114.5
272	L	95.9	Very high	96.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-75.7	-31.2	176.6	-51.5	-177.2	0	0	0	111	L202 R203 I269 V270 Q274 K275 V278 V284	L202-L272 HydrophobicContact CB-CD1 4.31Å; L202-L272 HydrophobicContact CB-CD2 3.98Å; L202-L272 HydrophobicContact CD1-CD1 4.19Å; R203-L272 HydrophobicContact CG-CD2 3.92Å; I269-L272 HydrophobicContact CG2-CD1 4.46Å; I269-L272 WeakPolarHBondContact O-CA 3.44Å; I269-L272 VanDerWaalsContact O-CB 3.25Å; I269-L272 WeakPolarHBondContact O-CB 3.23Å; I269-L272 PolarHBondContact O-N 3.1Å; V270-L272 PolarHBondContact O-N 3.33Å; V270-L272 VanDerWaalsContact O-N 3.13Å; L272-Q274 VanDerWaalsContact C-N 3.3Å; L272-Q274 PolarHBondContact O-N 3.17Å; L272-K275 PolarHBondContact O-N 2.84Å; L272-V278 HydrophobicContact CB-CG1 4Å; L272-V278 HydrophobicContact CD2-CG1 4.23Å; L272-V284 HydrophobicContact CB-CG1 4.29Å; L272-V284 HydrophobicContact CD1-CG1 4.44Å; L272-V284 HydrophobicContact CD1-CG2 4.26Å
273	A	94.1	Very high	96.2	Very high	8 Å²	8	42.6 Å²	42.6	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-69	-26.2	176	0	0	0	0	0	113.6	I269 V270 K275 I279 F288 I307 A310	I269-A273 PolarHBondContact O-N 3.28Å; V270-A273 WeakPolarHBondContact O-CB 3.41Å; V270-A273 PolarHBondContact O-N 2.95Å; A273-K275 PolarHBondContact O-N 3.42Å; A273-I279 HydrophobicContact CB-CD1 3.82Å; A273-I279 HydrophobicContact CB-CG1 4.15Å; A273-F288 HydrophobicContact CB-CZ 3.98Å; A273-I307 HydrophobicContact CB-CB 4.22Å; A273-I307 HydrophobicContact CB-CG2 3.67Å; A273-A310 HydrophobicContact CB-CB 4.36Å; A273-A310 WeakPolarHBondContact O-CB 3.42Å
274	Q	92.1	Very high	96.3	Very high	153 Å²	153	40 Å²	40	72%	0.715	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.8	178.3	-63.5	176.1	-18.3	0	0	113.5	L272	L272-Q274 VanDerWaalsContact C-N 3.3Å; L272-Q274 PolarHBondContact O-N 3.17Å
275	K	92.9	Very high	96.3	Very high	102 Å²	102	38.2 Å²	38.2	44%	0.443	18%	0.181	S	C	.	.			trans	-116.1	108.5	180	-64.2	-170.9	-174.9	-169	0	110.5	R203 L272 A273 Q277 V278 I279	R203-K275 PolarHBondContact O-NZ 3.1Å; L272-K275 PolarHBondContact O-N 2.84Å; A273-K275 PolarHBondContact O-N 3.42Å; K275-Q277 PolarHBondContact O-N 2.97Å; K275-Q277 VanDerWaalsContact O-N 3.12Å; K275-V278 HydrophobicContact CB-CB 4.03Å; K275-V278 HydrophobicContact CB-CG2 3.77Å; K275-V278 HydrophobicContact CD-CG2 4.29Å; K275-V278 PolarHBondContact O-N 3.35Å; K275-I279 PolarHBondContact O-N 3Å
276	E	92.8	Very high	96.3	Very high	85 Å²	85	41 Å²	41	40%	0.397	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-38.8	-178.6	-166.4	-169.7	143.7	0	0	113.5	V278 R280 Y313	E276-V278 PolarHBondContact O-N 3.12Å; E276-R280 VanDerWaalsContact O-CD 3.22Å; E276-R280 WeakPolarHBondContact O-CD 3.25Å; E276-R280 VanDerWaalsContact O-CG 3.26Å; E276-R280 WeakPolarHBondContact O-CG 3.13Å; E276-R280 PolarHBondContact O-NE 3.36Å; E276-R280 IonicContact OE1-CZ 2.68Å; E276-R280 IonicContact OE1-NE 2.55Å; E276-R280 IonicContact OE1-NH2 3.61Å; E276-R280 PolarHBondContact OE1-NH2 3.23Å; E276-Y313 HydrophobicContact CG-CD1 3.79Å; E276-Y313 HydrophobicContact CG-CD2 4.08Å; E276-Y313 HydrophobicContact CG-CE1 3.72Å; E276-Y313 HydrophobicContact CG-CE2 4.03Å; E276-Y313 HydrophobicContact CG-CG 3.98Å
277	Q	92.5	Very high	96.3	Very high	122 Å²	122	39.9 Å²	39.9	57%	0.57	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.5	179.4	-62.9	-67	-8.1	0	0	114.1	A205 K275 H281	A205-Q277 HydrophobicContact CB-CB 4.27Å; K275-Q277 PolarHBondContact O-N 2.97Å; K275-Q277 VanDerWaalsContact O-N 3.12Å; Q277-H281 PolarHBondContact O-CE1 2.98Å; Q277-H281 VanDerWaalsContact O-CE1 3.28Å; Q277-H281 PolarHBondContact O-NE2 3.05Å
278	V	96.3	Very high	96.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-43.6	-176.3	179.7	0	0	0	0	110.4	L202 L272 K275 E276 R280 H281 V284	L202-V278 WeakPolarHBondContact O-CG1 3.31Å; L202-V278 WeakPolarHBondContact O-CG2 3.45Å; L272-V278 HydrophobicContact CB-CG1 4Å; L272-V278 HydrophobicContact CD2-CG1 4.23Å; K275-V278 HydrophobicContact CB-CB 4.03Å; K275-V278 HydrophobicContact CB-CG2 3.77Å; K275-V278 HydrophobicContact CD-CG2 4.29Å; K275-V278 PolarHBondContact O-N 3.35Å; E276-V278 PolarHBondContact O-N 3.12Å; V278-R280 PolarHBondContact O-N 3.15Å; V278-H281 WeakPolarHBondContact O-CB 3.46Å; V278-H281 PolarHBondContact O-CD2 3.29Å; V278-H281 VanDerWaalsContact O-CD2 3.29Å; V278-H281 PolarHBondContact O-N 2.93Å; V278-H281 VanDerWaalsContact O-N 3.11Å; V278-V284 HydrophobicContact CG1-CG2 4.2Å
279	I	96.5	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-3.4	-178.3	-161.9	51	0	0	0	114.1	A273 K275 V284 H285 F288 A310 Y313 M314	A273-I279 HydrophobicContact CB-CD1 3.82Å; A273-I279 HydrophobicContact CB-CG1 4.15Å; K275-I279 PolarHBondContact O-N 3Å; I279-V284 HydrophobicContact CD1-CG1 3.84Å; I279-H285 PolarHBondContact O-CD2 2.79Å; I279-H285 PolarHBondContact O-NE2 3.06Å; I279-F288 HydrophobicContact CD1-CD2 4.11Å; I279-F288 HydrophobicContact CD1-CE2 3.48Å; I279-F288 VanDerWaalsContact CD1-CE2 3.48Å; I279-F288 HydrophobicContact CD1-CZ 4.12Å; I279-A310 HydrophobicContact CG1-CB 4.26Å; I279-Y313 HydrophobicContact CG2-CD2 4.25Å; I279-Y313 HydrophobicContact CG2-CG 4.35Å; I279-M314 HydrophobicContact CD1-CE 3.42Å; I279-M314 VanDerWaalsContact CD1-CE 3.42Å; I279-M314 HydrophobicContact CG1-CE 3.54Å
280	R	96.6	Very high	96.6	Very high	87 Å²	87	35.1 Å²	35.1	33%	0.328	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.1	174.7	-69.5	166.9	177.7	-108.5	4.3	112.9	E276 V278 H285 H316	E276-R280 VanDerWaalsContact O-CD 3.22Å; E276-R280 WeakPolarHBondContact O-CD 3.25Å; E276-R280 VanDerWaalsContact O-CG 3.26Å; E276-R280 WeakPolarHBondContact O-CG 3.13Å; E276-R280 PolarHBondContact O-NE 3.36Å; E276-R280 IonicContact OE1-CZ 2.68Å; E276-R280 IonicContact OE1-NE 2.55Å; E276-R280 IonicContact OE1-NH2 3.61Å; E276-R280 PolarHBondContact OE1-NH2 3.23Å; V278-R280 PolarHBondContact O-N 3.15Å; R280-H285 VanDerWaalsContact C-CE1 3.41Å; R280-H285 VanDerWaalsContact C-NE2 3.26Å; R280-H285 PolarHBondContact O-CE1 3.39Å; R280-H285 PolarHBondContact O-NE2 3.1Å; R280-H316 PolarHBondContact O-CE1 3.39Å
281	H	98.3	Very high	96.7	Very high	23 Å²	23	34 Å²	34	11%	0.106	16%	0.16	C	C	.	.			trans	-82.9	132.6	-172.1	-65.9	-29.7	0	0	0	111.8	S208 E212 Q277 V278 V283 V284 H285	S208-H281 WeakPolarHBondContact CB-NE2 3.45Å; S208-H281 PolarHBondContact OG-NE2 2.82Å; E212-H281 HydrophobicContact CB-CB 4.06Å; E212-H281 HydrophobicContact CG-CB 4.03Å; E212-H281 WeakPolarHBondContact OE2-CB 3.2Å; Q277-H281 PolarHBondContact O-CE1 2.98Å; Q277-H281 VanDerWaalsContact O-CE1 3.28Å; Q277-H281 PolarHBondContact O-NE2 3.05Å; V278-H281 WeakPolarHBondContact O-CB 3.46Å; V278-H281 PolarHBondContact O-CD2 3.29Å; V278-H281 VanDerWaalsContact O-CD2 3.29Å; V278-H281 PolarHBondContact O-N 2.93Å; V278-H281 VanDerWaalsContact O-N 3.11Å; H281-V283 HydrophobicContact CB-CG1 4.07Å; H281-V283 PolarHBondContact O-N 3.01Å; H281-V284 HydrophobicContact CB-CG2 4.11Å; H281-V284 WeakPolarHBondContact O-CB 3.49Å; H281-V284 PolarHBondContact O-N 3.26Å; H281-H285 PolarHBondContact O-CD2 3.27Å; H281-H285 PolarHBondContact O-N 3.33Å; H281-H285 VanDerWaalsContact O-N 3.13Å; H281-H285 PolarHBondContact O-NE2 2.74Å
282	S	98.3	Very high	96.8	Very high	17 Å²	17	32.2 Å²	32.2	12%	0.119	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-32.9	-179.5	65.2	0	0	0	0	113.1	E212 V284 H285 K286	E212-S282 VanDerWaalsContact CD-N 3.27Å; E212-S282 VanDerWaalsContact CD-OG 3.3Å; E212-S282 WeakPolarHBondContact OE1-CB 3.14Å; E212-S282 PolarHBondContact OE1-N 3.34Å; E212-S282 PolarHBondContact OE1-OG 2.93Å; E212-S282 PolarHBondContact OE2-N 3.13Å; E212-S282 PolarHBondContact OE2-OG 3.3Å; S282-V284 VanDerWaalsContact C-N 3.25Å; S282-V284 PolarHBondContact O-N 3.39Å; S282-H285 PolarHBondContact O-N 2.98Å; S282-K286 PolarHBondContact O-N 3.16Å
283	V	98.3	Very high	96.8	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-37.2	173.7	67.3	0	0	0	0	112.3	L202 E212 Y215 I227 T228 H281	L202-V283 HydrophobicContact CD2-CG1 3.94Å; E212-V283 WeakPolarHBondContact OE2-CG1 3.24Å; E212-V283 PolarHBondContact OE2-N 2.92Å; E212-V283 VanDerWaalsContact OE2-N 3.09Å; Y215-V283 HydrophobicContact CD1-CB 3.67Å; Y215-V283 HydrophobicContact CD1-CG2 4.28Å; Y215-V283 HydrophobicContact CD2-CB 3.98Å; Y215-V283 HydrophobicContact CD2-CG2 3.66Å; Y215-V283 HydrophobicContact CE1-CB 4.05Å; Y215-V283 HydrophobicContact CE2-CB 4.33Å; Y215-V283 HydrophobicContact CE2-CG2 3.95Å; Y215-V283 HydrophobicContact CG-CB 3.64Å; Y215-V283 HydrophobicContact CG-CG2 3.84Å; I227-V283 HydrophobicContact CG2-CG2 3.69Å; T228-V283 HydrophobicContact CG2-CG2 4.01Å; H281-V283 HydrophobicContact CB-CG1 4.07Å; H281-V283 PolarHBondContact O-N 3.01Å
284	V	98.4	Very high	97	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-72.9	-43.4	178.5	176.9	0	0	0	0	109.4	L202 L272 V278 I279 H281 S282 K286 V287 F288	L202-V284 HydrophobicContact CD1-CG2 4.43Å; L202-V284 HydrophobicContact CD2-CG2 4.27Å; L272-V284 HydrophobicContact CB-CG1 4.29Å; L272-V284 HydrophobicContact CD1-CG1 4.44Å; L272-V284 HydrophobicContact CD1-CG2 4.26Å; V278-V284 HydrophobicContact CG1-CG2 4.2Å; I279-V284 HydrophobicContact CD1-CG1 3.84Å; H281-V284 HydrophobicContact CB-CG2 4.11Å; H281-V284 WeakPolarHBondContact O-CB 3.49Å; H281-V284 PolarHBondContact O-N 3.26Å; S282-V284 VanDerWaalsContact C-N 3.25Å; S282-V284 PolarHBondContact O-N 3.39Å; V284-K286 VanDerWaalsContact C-N 3.31Å; V284-K286 PolarHBondContact O-N 2.73Å; V284-V287 PolarHBondContact O-N 3.06Å; V284-F288 HydrophobicContact CG1-CD2 3.63Å; V284-F288 HydrophobicContact CG1-CE2 3.48Å; V284-F288 VanDerWaalsContact CG1-CE2 3.48Å; V284-F288 VanDerWaalsContact O-CD2 3.31Å; V284-F288 WeakPolarHBondContact O-CD2 3.39Å; V284-F288 PolarHBondContact O-N 2.86Å
285	H	98.7	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-38.7	179.4	-51.4	159	0	0	0	112.8	I279 R280 H281 S282 V287 F288 L289 M314 T317 D319	I279-H285 PolarHBondContact O-CD2 2.79Å; I279-H285 PolarHBondContact O-NE2 3.06Å; R280-H285 VanDerWaalsContact C-CE1 3.41Å; R280-H285 VanDerWaalsContact C-NE2 3.26Å; R280-H285 PolarHBondContact O-CE1 3.39Å; R280-H285 PolarHBondContact O-NE2 3.1Å; H281-H285 PolarHBondContact O-CD2 3.27Å; H281-H285 PolarHBondContact O-N 3.33Å; H281-H285 VanDerWaalsContact O-N 3.13Å; H281-H285 PolarHBondContact O-NE2 2.74Å; S282-H285 PolarHBondContact O-N 2.98Å; H285-V287 VanDerWaalsContact C-N 3.35Å; H285-V287 PolarHBondContact O-N 3.47Å; H285-F288 PolarHBondContact O-N 3.39Å; H285-L289 PolarHBondContact O-N 3.13Å; H285-M314 VanDerWaalsContact CD2-CB 3.41Å; H285-M314 WeakPolarHBondContact CD2-CB 3.47Å; H285-M314 WeakPolarHBondContact NE2-CA 3.4Å; H285-M314 VanDerWaalsContact NE2-CB 3.27Å; H285-M314 WeakPolarHBondContact NE2-CB 3.45Å; H285-T317 PolarHBondContact CE1-OG1 3.27Å; H285-T317 WeakPolarHBondContact ND1-CG2 3.31Å; H285-T317 PolarHBondContact ND1-OG1 3.03Å; H285-D319 HydrophobicContact CB-CB 4.11Å
286	K	98.6	Very high	97.4	Very high	58 Å²	58	28.9 Å²	28.9	25%	0.252	14%	0.136	S	C	.	.	H	α-helix	trans	-56.9	-49.7	176.3	-158.5	-41.5	-172.5	169.5	0	110.7	Y215 S282 V284 F288 L289 D290	Y215-K286 WeakPolarHBondContact OH-CG 3.29Å; S282-K286 PolarHBondContact O-N 3.16Å; V284-K286 VanDerWaalsContact C-N 3.31Å; V284-K286 PolarHBondContact O-N 2.73Å; K286-F288 VanDerWaalsContact C-N 3.34Å; K286-F288 PolarHBondContact O-N 3.4Å; K286-L289 WeakPolarHBondContact O-CB 3.3Å; K286-L289 PolarHBondContact O-N 3.46Å; K286-L289 VanDerWaalsContact O-N 3.14Å; K286-D290 WeakPolarHBondContact CD-OD2 3.45Å; K286-D290 IonicContact NZ-OD1 3.1Å; K286-D290 PolarHBondContact NZ-OD1 2.96Å; K286-D290 IonicContact NZ-OD2 3.03Å; K286-D290 PolarHBondContact NZ-OD2 3.33Å; K286-D290 PolarHBondContact O-N 3.22Å
287	V	98.5	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.9	-33.7	-178.3	-175.8	0	0	0	0	111.8	T228 L231 Y232 T265 I269 V284 H285 F291	T228-V287 HydrophobicContact CG2-CG2 3.98Å; L231-V287 HydrophobicContact CB-CG1 4.01Å; L231-V287 HydrophobicContact CB-CG2 4.01Å; L231-V287 HydrophobicContact CD1-CG2 3.76Å; L231-V287 HydrophobicContact CG-CG2 4.5Å; Y232-V287 HydrophobicContact CD1-CG1 4.12Å; Y232-V287 HydrophobicContact CE1-CB 4.49Å; Y232-V287 HydrophobicContact CE1-CG1 3.83Å; Y232-V287 HydrophobicContact CE1-CG2 4.36Å; T265-V287 HydrophobicContact CG2-CG1 4Å; I269-V287 HydrophobicContact CD1-CG1 4.46Å; I269-V287 HydrophobicContact CG2-CB 4.37Å; I269-V287 HydrophobicContact CG2-CG1 3.68Å; V284-V287 PolarHBondContact O-N 3.06Å; H285-V287 VanDerWaalsContact C-N 3.35Å; H285-V287 PolarHBondContact O-N 3.47Å; V287-F291 WeakPolarHBondContact O-CB 3.44Å; V287-F291 PolarHBondContact O-N 3.44Å
288	F	98.8	Very high	97.7	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-44.5	169.2	-86.9	-75.5	0	0	0	111.8	I269 A273 I279 V284 H285 K286 D290 F291 F292 M303 I307 V323	I269-F288 HydrophobicContact CB-CE1 4.37Å; I269-F288 HydrophobicContact CB-CE2 4.07Å; I269-F288 HydrophobicContact CB-CZ 3.91Å; I269-F288 HydrophobicContact CD1-CD1 3.67Å; I269-F288 HydrophobicContact CD1-CD2 4.43Å; I269-F288 HydrophobicContact CD1-CE1 3.73Å; I269-F288 HydrophobicContact CD1-CE2 4.47Å; I269-F288 HydrophobicContact CD1-CG 4.04Å; I269-F288 HydrophobicContact CD1-CZ 4.12Å; I269-F288 HydrophobicContact CG1-CD1 4.28Å; I269-F288 HydrophobicContact CG1-CE1 3.8Å; I269-F288 HydrophobicContact CG1-CE2 4.38Å; I269-F288 HydrophobicContact CG1-CZ 3.84Å; I269-F288 WeakPolarHBondContact O-CZ 3.15Å; A273-F288 HydrophobicContact CB-CZ 3.98Å; I279-F288 HydrophobicContact CD1-CD2 4.11Å; I279-F288 HydrophobicContact CD1-CE2 3.48Å; I279-F288 VanDerWaalsContact CD1-CE2 3.48Å; I279-F288 HydrophobicContact CD1-CZ 4.12Å; V284-F288 HydrophobicContact CG1-CD2 3.63Å; V284-F288 HydrophobicContact CG1-CE2 3.48Å; V284-F288 VanDerWaalsContact CG1-CE2 3.48Å; V284-F288 VanDerWaalsContact O-CD2 3.31Å; V284-F288 WeakPolarHBondContact O-CD2 3.39Å; V284-F288 PolarHBondContact O-N 2.86Å; H285-F288 PolarHBondContact O-N 3.39Å; K286-F288 VanDerWaalsContact C-N 3.34Å; K286-F288 PolarHBondContact O-N 3.4Å; F288-D290 VanDerWaalsContact C-N 3.32Å; F288-D290 PolarHBondContact O-N 3.22Å; F288-F291 WeakPolarHBondContact O-CB 3.4Å; F288-F291 PolarHBondContact O-N 2.92Å; F288-F292 HydrophobicContact CD1-CE2 4.33Å; F288-F292 VanDerWaalsContact O-CD2 3.23Å; F288-F292 WeakPolarHBondContact O-CD2 3.47Å; F288-F292 PolarHBondContact O-N 3.38Å; F288-M303 HydrophobicContact CD1-SD 4.3Å; F288-M303 HydrophobicContact CE1-CE 4.22Å; F288-M303 HydrophobicContact CE1-SD 3.67Å; F288-I307 HydrophobicContact CD1-CD1 3.96Å; F288-I307 HydrophobicContact CE1-CD1 3.81Å; F288-I307 HydrophobicContact CE1-CG2 4.01Å; F288-I307 HydrophobicContact CZ-CG2 4.33Å; F288-V323 HydrophobicContact CB-CB 4.49Å; F288-V323 HydrophobicContact CB-CG1 4.02Å; F288-V323 HydrophobicContact CB-CG2 3.65Å
289	L	98.7	Very high	97.8	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.058	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-45.8	179.3	180	58.4	0	0	0	110.9	H285 K286 F291 F292 Q293 D319 R322 V323	H285-L289 PolarHBondContact O-N 3.13Å; K286-L289 WeakPolarHBondContact O-CB 3.3Å; K286-L289 PolarHBondContact O-N 3.46Å; K286-L289 VanDerWaalsContact O-N 3.14Å; L289-F291 VanDerWaalsContact C-N 3.32Å; L289-F291 PolarHBondContact O-N 3.47Å; L289-F292 PolarHBondContact O-N 3.02Å; L289-F292 VanDerWaalsContact O-N 3.1Å; L289-Q293 HydrophobicContact CD1-CG 4.22Å; L289-Q293 HydrophobicContact CG-CG 4.4Å; L289-Q293 WeakPolarHBondContact O-CG 3.41Å; L289-Q293 PolarHBondContact O-N 3.35Å; L289-D319 HydrophobicContact CB-CB 4.27Å; L289-D319 HydrophobicContact CD2-CB 3.85Å; L289-R322 HydrophobicContact CD1-CB 3.6Å; L289-R322 HydrophobicContact CD2-CB 4.31Å; L289-V323 HydrophobicContact CB-CG2 3.87Å
290	D	98.5	Very high	97.9	Very high	5 Å²	5	35 Å²	35	3%	0.027	16%	0.16	C	C	.	.	H	α-helix	trans	-55	-48.3	173.6	-77.8	-9.9	0	0	0	112	Y232 L247 K286 F288 F292 Q293 F294	Y232-D290 HydrophobicContact CE1-CB 4.01Å; Y232-D290 WeakPolarHBondContact CE1-OD2 3.22Å; Y232-D290 PolarHBondContact OH-OD2 2.85Å; L247-D290 HydrophobicContact CD2-CB 3.72Å; K286-D290 WeakPolarHBondContact CD-OD2 3.45Å; K286-D290 IonicContact NZ-OD1 3.1Å; K286-D290 PolarHBondContact NZ-OD1 2.96Å; K286-D290 IonicContact NZ-OD2 3.03Å; K286-D290 PolarHBondContact NZ-OD2 3.33Å; K286-D290 PolarHBondContact O-N 3.22Å; F288-D290 VanDerWaalsContact C-N 3.32Å; F288-D290 PolarHBondContact O-N 3.22Å; D290-F292 VanDerWaalsContact C-N 3.33Å; D290-F292 PolarHBondContact O-N 3.07Å; D290-Q293 PolarHBondContact O-N 2.89Å; D290-F294 WeakPolarHBondContact O-CD2 3.41Å; D290-F294 PolarHBondContact O-N 3.15Å
291	F	98.7	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-55.8	-49.2	175.2	177.3	-86.9	0	0	0	111	L262 T265 K266 I269 V287 F288 L289 Q293 F294 A295 Q299 M303	L262-F291 HydrophobicContact CB-CD2 4.34Å; L262-F291 HydrophobicContact CB-CE2 4.14Å; L262-F291 HydrophobicContact CD2-CD2 4.22Å; L262-F291 WeakPolarHBondContact O-CE2 3.48Å; T265-F291 HydrophobicContact CG2-CD2 4.3Å; K266-F291 HydrophobicContact CB-CD2 4.46Å; K266-F291 HydrophobicContact CB-CE2 3.78Å; K266-F291 HydrophobicContact CB-CZ 4.28Å; K266-F291 HydrophobicContact CD-CZ 4.32Å; I269-F291 HydrophobicContact CD1-CB 4.08Å; I269-F291 HydrophobicContact CD1-CG 4.36Å; V287-F291 WeakPolarHBondContact O-CB 3.44Å; V287-F291 PolarHBondContact O-N 3.44Å; F288-F291 WeakPolarHBondContact O-CB 3.4Å; F288-F291 PolarHBondContact O-N 2.92Å; L289-F291 VanDerWaalsContact C-N 3.32Å; L289-F291 PolarHBondContact O-N 3.47Å; F291-Q293 VanDerWaalsContact C-N 3.31Å; F291-Q293 PolarHBondContact O-N 2.84Å; F291-F294 PolarHBondContact O-N 2.92Å; F291-A295 HydrophobicContact CD1-CB 4.03Å; F291-A295 HydrophobicContact CE1-CB 3.65Å; F291-A295 HydrophobicContact CE2-CB 4.23Å; F291-A295 HydrophobicContact CG-CB 4.47Å; F291-A295 HydrophobicContact CZ-CB 3.78Å; F291-A295 WeakPolarHBondContact O-CA 3.43Å; F291-A295 WeakPolarHBondContact O-CB 3.33Å; F291-A295 PolarHBondContact O-N 3.08Å; F291-Q299 HydrophobicContact CZ-CB 4.11Å; F291-M303 HydrophobicContact CD1-CB 4.28Å; F291-M303 HydrophobicContact CD1-CE 3.73Å; F291-M303 HydrophobicContact CD1-CG 3.94Å; F291-M303 HydrophobicContact CD2-CE 4.07Å; F291-M303 HydrophobicContact CE1-CB 3.41Å; F291-M303 VanDerWaalsContact CE1-CB 3.41Å; F291-M303 HydrophobicContact CE1-CE 3.61Å; F291-M303 HydrophobicContact CE1-CG 3.57Å; F291-M303 HydrophobicContact CE1-SD 4.5Å; F291-M303 HydrophobicContact CE2-CE 3.95Å; F291-M303 HydrophobicContact CG-CE 3.97Å; F291-M303 HydrophobicContact CZ-CB 3.93Å; F291-M303 HydrophobicContact CZ-CE 3.71Å; F291-M303 HydrophobicContact CZ-CG 4.34Å
292	F	98.4	Very high	98	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.013	17%	0.168	C	C	.	.	H	α-helix	trans	-66.5	-28.9	-178.5	-84.7	-74.9	0	0	0	114.4	F288 L289 D290 R300 M303 I304 I307 V323 H326 C327	F288-F292 HydrophobicContact CD1-CE2 4.33Å; F288-F292 VanDerWaalsContact O-CD2 3.23Å; F288-F292 WeakPolarHBondContact O-CD2 3.47Å; F288-F292 PolarHBondContact O-N 3.38Å; L289-F292 PolarHBondContact O-N 3.02Å; L289-F292 VanDerWaalsContact O-N 3.1Å; D290-F292 VanDerWaalsContact C-N 3.33Å; D290-F292 PolarHBondContact O-N 3.07Å; F292-R300 HydrophobicContact CD1-CG 3.78Å; F292-R300 HydrophobicContact CE1-CG 3.8Å; F292-M303 HydrophobicContact CE2-CG 3.98Å; F292-M303 HydrophobicContact CZ-CB 4.37Å; F292-M303 HydrophobicContact CZ-CG 3.72Å; F292-I304 HydrophobicContact CE1-CD1 4.05Å; F292-I304 HydrophobicContact CE1-CG1 3.6Å; F292-I304 HydrophobicContact CZ-CG1 3.84Å; F292-I307 HydrophobicContact CE2-CD1 3.89Å; F292-I307 HydrophobicContact CZ-CD1 4.06Å; F292-V323 HydrophobicContact CD2-CG1 3.79Å; F292-V323 HydrophobicContact CD2-CG2 4.46Å; F292-V323 HydrophobicContact CE2-CG1 3.65Å; F292-H326 HydrophobicContact CB-CB 4.02Å; F292-H326 HydrophobicContact CD1-CB 3.64Å; F292-H326 HydrophobicContact CE1-CB 4.29Å; F292-H326 HydrophobicContact CG-CB 3.87Å; F292-C327 WeakPolarHBondContact CZ-SG 3.43Å
293	Q	97	Very high	98	Very high	101 Å²	101	34.5 Å²	34.5	47%	0.472	16%	0.162	S	C	.	.	H	α-helix	trans	-70.6	-32	178.1	-76.2	179.5	-39	0	0	113	L289 D290 F291	L289-Q293 HydrophobicContact CD1-CG 4.22Å; L289-Q293 HydrophobicContact CG-CG 4.4Å; L289-Q293 WeakPolarHBondContact O-CG 3.41Å; L289-Q293 PolarHBondContact O-N 3.35Å; D290-Q293 PolarHBondContact O-N 2.89Å; F291-Q293 VanDerWaalsContact C-N 3.31Å; F291-Q293 PolarHBondContact O-N 2.84Å
294	F	97.4	Very high	98	Very high	55 Å²	55	34.5 Å²	34.5	24%	0.241	16%	0.162	C	C	.	.	H	α-helix	trans	-114.8	-13.1	-174.1	-56.7	-71.6	0	0	0	114.3	L247 E248 L251 L262 D290 F291	L247-F294 HydrophobicContact CD2-CD2 3.77Å; L247-F294 HydrophobicContact CD2-CE2 4.28Å; L247-F294 HydrophobicContact CG-CD2 4.24Å; E248-F294 HydrophobicContact CB-CE1 4.33Å; E248-F294 HydrophobicContact CB-CE2 4.36Å; E248-F294 HydrophobicContact CB-CZ 3.66Å; E248-F294 HydrophobicContact CG-CE1 4.19Å; E248-F294 HydrophobicContact CG-CZ 3.9Å; L251-F294 HydrophobicContact CD1-CB 3.6Å; L251-F294 HydrophobicContact CD1-CD1 4.01Å; L251-F294 HydrophobicContact CD1-CD2 3.96Å; L251-F294 HydrophobicContact CD1-CG 3.57Å; L262-F294 VanDerWaalsContact CD1-C 3.46Å; L262-F294 HydrophobicContact CD1-CB 3.95Å; L262-F294 VanDerWaalsContact CD1-O 3.31Å; L262-F294 WeakPolarHBondContact CD1-O 3.19Å; D290-F294 WeakPolarHBondContact O-CD2 3.41Å; D290-F294 PolarHBondContact O-N 3.15Å; F291-F294 PolarHBondContact O-N 2.92Å
295	A	97.6	Very high	98	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.033	19%	0.185	C	C	.	.			trans	-62.2	128	-176.2	0	0	0	0	0	112.8	L262 F291 R300	L262-A295 HydrophobicContact CD1-CB 4.44Å; F291-A295 HydrophobicContact CD1-CB 4.03Å; F291-A295 HydrophobicContact CE1-CB 3.65Å; F291-A295 HydrophobicContact CE2-CB 4.23Å; F291-A295 HydrophobicContact CG-CB 4.47Å; F291-A295 HydrophobicContact CZ-CB 3.78Å; F291-A295 WeakPolarHBondContact O-CA 3.43Å; F291-A295 WeakPolarHBondContact O-CB 3.33Å; F291-A295 PolarHBondContact O-N 3.08Å; A295-R300 HydrophobicContact CB-CB 4.01Å; A295-R300 PolarHBondContact O-NH1 2.98Å; A295-R300 VanDerWaalsContact O-NH1 3.07Å
296	P	96.4	Very high	97.9	Very high	35 Å²	35	42.5 Å²	42.5	23%	0.227	21%	0.207	C	C	.	.			trans	-56.2	155.6	165	-21.8	32	0	0	0	110.9	L258 E259 K298 Q299 R300	L258-P296 HydrophobicContact CD2-CG 3.65Å; E259-P296 HydrophobicContact CG-CG 4.22Å; P296-K298 VanDerWaalsContact C-N 3.31Å; P296-K298 PolarHBondContact O-N 3.31Å; P296-Q299 PolarHBondContact O-N 2.75Å; P296-R300 WeakPolarHBondContact O-CB 3.36Å; P296-R300 PolarHBondContact O-N 3.46Å
297	E	96.1	Very high	97.9	Very high	117 Å²	117	39.8 Å²	39.8	55%	0.547	20%	0.196	S	C	.	.	H	α-helix	trans	-52.7	-46.3	-173.7	-175.4	177.7	174.8	0	0	113.2	R300 T301	E297-R300 PolarHBondContact O-N 2.87Å; E297-T301 PolarHBondContact O-N 2.94Å; E297-T301 PolarHBondContact O-OG1 3.36Å; E297-T301 VanDerWaalsContact O-OG1 3.06Å
298	K	96.5	Very high	97.9	Very high	154 Å²	154	41.3 Å²	41.3	67%	0.67	20%	0.201	S	C	*	.	H	α-helix	trans	-58.4	-54	179.5	-177.4	-177.3	174	-173.8	0	112.1	P296 R300 T301 E302	P296-K298 VanDerWaalsContact C-N 3.31Å; P296-K298 PolarHBondContact O-N 3.31Å; K298-R300 VanDerWaalsContact C-N 3.29Å; K298-R300 PolarHBondContact O-N 3.13Å; K298-T301 PolarHBondContact O-N 3.48Å; K298-E302 WeakPolarHBondContact CE-OE1 3.39Å; K298-E302 WeakPolarHBondContact O-CG 2.86Å; K298-E302 PolarHBondContact O-N 3.42Å; K298-E302 VanDerWaalsContact O-N 3.1Å
299	Q	97.9	Very high	97.8	Very high	17 Å²	17	47.6 Å²	47.6	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-36.5	-179.1	-66.3	-175.7	-3.6	0	0	111.6	E259 F291 P296 M303	E259-Q299 PolarHBondContact O-NE2 3.15Å; F291-Q299 HydrophobicContact CZ-CB 4.11Å; P296-Q299 PolarHBondContact O-N 2.75Å; Q299-M303 WeakPolarHBondContact O-CB 3.29Å; Q299-M303 PolarHBondContact O-N 2.99Å
300	R	98.1	Very high	97.8	Very high	47 Å²	47	47.6 Å²	47.6	18%	0.177	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-48.3	175.5	-174.3	170.4	62.6	-128.6	2.7	111.5	F292 A295 P296 E297 K298 M303 I304 H330	F292-R300 HydrophobicContact CD1-CG 3.78Å; F292-R300 HydrophobicContact CE1-CG 3.8Å; A295-R300 HydrophobicContact CB-CB 4.01Å; A295-R300 PolarHBondContact O-NH1 2.98Å; A295-R300 VanDerWaalsContact O-NH1 3.07Å; P296-R300 WeakPolarHBondContact O-CB 3.36Å; P296-R300 PolarHBondContact O-N 3.46Å; E297-R300 PolarHBondContact O-N 2.87Å; K298-R300 VanDerWaalsContact C-N 3.29Å; K298-R300 PolarHBondContact O-N 3.13Å; R300-M303 WeakPolarHBondContact O-CB 3.44Å; R300-M303 PolarHBondContact O-N 3.33Å; R300-I304 HydrophobicContact CG-CD1 4.23Å; R300-I304 VanDerWaalsContact O-CG1 3.3Å; R300-I304 WeakPolarHBondContact O-CG1 3.44Å; R300-I304 PolarHBondContact O-N 3.15Å; R300-H330 HydrophobicContact CG-CB 4.42Å
301	T	98	Very high	97.7	Very high	46 Å²	46	47.4 Å²	47.4	28%	0.282	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-45.8	178.4	-62	0	0	0	0	111.8	E297 K298 M303 I304 E305	E297-T301 PolarHBondContact O-N 2.94Å; E297-T301 PolarHBondContact O-OG1 3.36Å; E297-T301 VanDerWaalsContact O-OG1 3.06Å; K298-T301 PolarHBondContact O-N 3.48Å; T301-M303 VanDerWaalsContact C-N 3.31Å; T301-M303 PolarHBondContact O-N 3.45Å; T301-I304 PolarHBondContact O-N 3.01Å; T301-E305 PolarHBondContact O-N 3.42Å; T301-E305 VanDerWaalsContact O-N 3.09Å
302	E	98.3	Very high	97.7	Very high	70 Å²	70	48.2 Å²	48.2	33%	0.327	24%	0.236	S	C	.	.	H	α-helix	trans	-61.7	-38.1	176.7	-69	171.1	-175.7	0	0	112.4	K266 K298 S306	K266-E302 IonicContact NZ-OE2 3.78Å; K266-E302 PolarHBondContact NZ-OE2 2.98Å; K298-E302 WeakPolarHBondContact CE-OE1 3.39Å; K298-E302 WeakPolarHBondContact O-CG 2.86Å; K298-E302 PolarHBondContact O-N 3.42Å; K298-E302 VanDerWaalsContact O-N 3.1Å; E302-S306 WeakPolarHBondContact O-CB 3.49Å; E302-S306 PolarHBondContact O-N 3.18Å; E302-S306 VanDerWaalsContact O-N 3.13Å; E302-S306 PolarHBondContact O-OG 2.95Å
303	M	98.5	Very high	97.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63	-47.4	174.6	179	64	79.8	0	0	111.5	K266 I269 V270 F288 F291 F292 Q299 R300 T301 E305 S306 I307	K266-M303 HydrophobicContact CB-CE 3.79Å; K266-M303 HydrophobicContact CD-CE 4.4Å; K266-M303 HydrophobicContact CG-CE 3.65Å; I269-M303 HydrophobicContact CD1-CE 3.78Å; I269-M303 HydrophobicContact CG1-CE 3.83Å; V270-M303 HydrophobicContact CG2-CE 3.93Å; V270-M303 HydrophobicContact CG2-SD 3.61Å; F288-M303 HydrophobicContact CD1-SD 4.3Å; F288-M303 HydrophobicContact CE1-CE 4.22Å; F288-M303 HydrophobicContact CE1-SD 3.67Å; F291-M303 HydrophobicContact CD1-CB 4.28Å; F291-M303 HydrophobicContact CD1-CE 3.73Å; F291-M303 HydrophobicContact CD1-CG 3.94Å; F291-M303 HydrophobicContact CD2-CE 4.07Å; F291-M303 HydrophobicContact CE1-CB 3.41Å; F291-M303 VanDerWaalsContact CE1-CB 3.41Å; F291-M303 HydrophobicContact CE1-CE 3.61Å; F291-M303 HydrophobicContact CE1-CG 3.57Å; F291-M303 HydrophobicContact CE1-SD 4.5Å; F291-M303 HydrophobicContact CE2-CE 3.95Å; F291-M303 HydrophobicContact CG-CE 3.97Å; F291-M303 HydrophobicContact CZ-CB 3.93Å; F291-M303 HydrophobicContact CZ-CE 3.71Å; F291-M303 HydrophobicContact CZ-CG 4.34Å; F292-M303 HydrophobicContact CE2-CG 3.98Å; F292-M303 HydrophobicContact CZ-CB 4.37Å; F292-M303 HydrophobicContact CZ-CG 3.72Å; Q299-M303 WeakPolarHBondContact O-CB 3.29Å; Q299-M303 PolarHBondContact O-N 2.99Å; R300-M303 WeakPolarHBondContact O-CB 3.44Å; R300-M303 PolarHBondContact O-N 3.33Å; T301-M303 VanDerWaalsContact C-N 3.31Å; T301-M303 PolarHBondContact O-N 3.45Å; M303-E305 VanDerWaalsContact C-N 3.33Å; M303-E305 PolarHBondContact O-N 3.49Å; M303-S306 WeakPolarHBondContact O-CB 3.44Å; M303-S306 PolarHBondContact O-N 2.92Å; M303-S306 VanDerWaalsContact O-N 3.08Å; M303-I307 HydrophobicContact CG-CD1 4.14Å; M303-I307 WeakPolarHBondContact O-CG1 3.46Å; M303-I307 PolarHBondContact O-N 3.21Å; M303-I307 VanDerWaalsContact O-N 3.07Å; M303-I307 HydrophobicContact SD-CD1 4.37Å; M303-I307 HydrophobicContact SD-CG2 3.87Å
304	I	98.6	Very high	97.6	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.4	-48	-179.7	-66	168.8	0	0	0	110.2	F292 R300 T301 S306 I307 R308 C327 H330 D335	F292-I304 HydrophobicContact CE1-CD1 4.05Å; F292-I304 HydrophobicContact CE1-CG1 3.6Å; F292-I304 HydrophobicContact CZ-CG1 3.84Å; R300-I304 HydrophobicContact CG-CD1 4.23Å; R300-I304 VanDerWaalsContact O-CG1 3.3Å; R300-I304 WeakPolarHBondContact O-CG1 3.44Å; R300-I304 PolarHBondContact O-N 3.15Å; T301-I304 PolarHBondContact O-N 3.01Å; I304-S306 PolarHBondContact O-N 3.5Å; I304-I307 PolarHBondContact O-N 3.01Å; I304-R308 WeakPolarHBondContact O-CB 3.4Å; I304-R308 PolarHBondContact O-N 2.85Å; I304-C327 HydrophobicContact CG1-CB 4.43Å; I304-C327 HydrophobicContact CG2-CB 4.39Å; I304-H330 HydrophobicContact CD1-CB 3.79Å; I304-D335 HydrophobicContact CG2-CB 3.89Å
305	E	98.3	Very high	97.6	Very high	103 Å²	103	44.4 Å²	44.4	48%	0.481	22%	0.216	S	C	.	.	H	α-helix	trans	-58.1	-39.5	177.1	174	152.2	-129.2	0	0	111.9	T301 M303 I307 R308	T301-E305 PolarHBondContact O-N 3.42Å; T301-E305 VanDerWaalsContact O-N 3.09Å; M303-E305 VanDerWaalsContact C-N 3.33Å; M303-E305 PolarHBondContact O-N 3.49Å; E305-I307 VanDerWaalsContact C-N 3.34Å; E305-I307 PolarHBondContact O-N 2.73Å; E305-R308 IonicContact OE1-CZ 2.75Å; E305-R308 IonicContact OE1-NH1 3.4Å; E305-R308 PolarHBondContact OE1-NH1 3.5Å; E305-R308 IonicContact OE1-NH2 2.68Å; E305-R308 PolarHBondContact OE1-NH2 2.77Å
306	S	98.1	Very high	97.5	Very high	66 Å²	66	48.8 Å²	48.8	46%	0.462	24%	0.236	S	C	.	.	H	α-helix	trans	-69.5	-27.4	-179.1	-58.7	0	0	0	0	113.8	E302 M303 I304	E302-S306 WeakPolarHBondContact O-CB 3.49Å; E302-S306 PolarHBondContact O-N 3.18Å; E302-S306 VanDerWaalsContact O-N 3.13Å; E302-S306 PolarHBondContact O-OG 2.95Å; M303-S306 WeakPolarHBondContact O-CB 3.44Å; M303-S306 PolarHBondContact O-N 2.92Å; M303-S306 VanDerWaalsContact O-N 3.08Å; I304-S306 PolarHBondContact O-N 3.5Å
307	I	98.1	Very high	97.6	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-118.5	-4.9	-171.4	75.9	178.2	0	0	0	115.1	A273 F288 F292 M303 I304 E305 E309 A310 V311	A273-I307 HydrophobicContact CB-CB 4.22Å; A273-I307 HydrophobicContact CB-CG2 3.67Å; F288-I307 HydrophobicContact CD1-CD1 3.96Å; F288-I307 HydrophobicContact CE1-CD1 3.81Å; F288-I307 HydrophobicContact CE1-CG2 4.01Å; F288-I307 HydrophobicContact CZ-CG2 4.33Å; F292-I307 HydrophobicContact CE2-CD1 3.89Å; F292-I307 HydrophobicContact CZ-CD1 4.06Å; M303-I307 HydrophobicContact CG-CD1 4.14Å; M303-I307 WeakPolarHBondContact O-CG1 3.46Å; M303-I307 PolarHBondContact O-N 3.21Å; M303-I307 VanDerWaalsContact O-N 3.07Å; M303-I307 HydrophobicContact SD-CD1 4.37Å; M303-I307 HydrophobicContact SD-CG2 3.87Å; I304-I307 PolarHBondContact O-N 3.01Å; E305-I307 VanDerWaalsContact C-N 3.34Å; E305-I307 PolarHBondContact O-N 2.73Å; I307-E309 PolarHBondContact O-N 3.17Å; I307-A310 WeakPolarHBondContact O-CA 3.4Å; I307-A310 PolarHBondContact O-N 3.38Å; I307-V311 HydrophobicContact CG1-CG2 4.29Å; I307-V311 PolarHBondContact O-N 3.49Å
308	R	97.8	Very high	97.7	Very high	31 Å²	31	46.9 Å²	46.9	12%	0.117	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-31.1	-173.5	61.3	-174.9	178.9	-146.7	-15.9	115.2	I304 E305 D335 V338 I339	I304-R308 WeakPolarHBondContact O-CB 3.4Å; I304-R308 PolarHBondContact O-N 2.85Å; E305-R308 IonicContact OE1-CZ 2.75Å; E305-R308 IonicContact OE1-NH1 3.4Å; E305-R308 PolarHBondContact OE1-NH1 3.5Å; E305-R308 IonicContact OE1-NH2 2.68Å; E305-R308 PolarHBondContact OE1-NH2 2.77Å; R308-D335 WeakPolarHBondContact CD-OD1 3.27Å; R308-D335 IonicContact CZ-OD1 3.98Å; R308-D335 IonicContact NE-OD1 3.17Å; R308-D335 IonicContact NH1-OD1 3.73Å; R308-D335 PolarHBondContact NH1-OD1 2.91Å; R308-V338 HydrophobicContact CB-CG1 4.37Å; R308-V338 HydrophobicContact CG-CB 4.32Å; R308-V338 HydrophobicContact CG-CG1 3.87Å; R308-I339 HydrophobicContact CB-CD1 4.33Å; R308-I339 HydrophobicContact CB-CG1 3.91Å; R308-I339 WeakPolarHBondContact O-CG1 3.42Å
309	E	97.6	Very high	97.8	Very high	133 Å²	133	41.2 Å²	41.2	62%	0.621	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-24.3	177.4	-66.3	-179	-167.1	0	0	113.4	I307 V338	I307-E309 PolarHBondContact O-N 3.17Å; E309-V338 HydrophobicContact CG-CG1 3.73Å
310	A	97.6	Very high	97.9	Very high	11 Å²	11	40.4 Å²	40.4	9%	0.091	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-13	-177.7	0	0	0	0	0	113.8	A273 I279 I307 V312 Y313	A273-A310 HydrophobicContact CB-CB 4.36Å; A273-A310 WeakPolarHBondContact O-CB 3.42Å; I279-A310 HydrophobicContact CG1-CB 4.26Å; I307-A310 WeakPolarHBondContact O-CA 3.4Å; I307-A310 PolarHBondContact O-N 3.38Å; A310-V312 PolarHBondContact O-N 3.11Å; A310-V312 VanDerWaalsContact O-N 3.12Å; A310-Y313 HydrophobicContact CB-CD2 4.42Å; A310-Y313 WeakPolarHBondContact O-CB 3.45Å; A310-Y313 WeakPolarHBondContact O-CD2 3.4Å; A310-Y313 PolarHBondContact O-N 3.03Å
311	V	97.9	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-53.2	-35.6	-177.4	173.4	0	0	0	0	112.7	I307 Y313 M314 A315 A324 C327 I339 M343	I307-V311 HydrophobicContact CG1-CG2 4.29Å; I307-V311 PolarHBondContact O-N 3.49Å; V311-Y313 PolarHBondContact O-N 3.28Å; V311-Y313 VanDerWaalsContact O-N 3.14Å; V311-M314 WeakPolarHBondContact O-CG 3.23Å; V311-M314 PolarHBondContact O-N 3.3Å; V311-A315 PolarHBondContact O-N 3.06Å; V311-A324 HydrophobicContact CG1-CB 3.41Å; V311-A324 VanDerWaalsContact CG1-CB 3.41Å; V311-C327 HydrophobicContact CG2-CB 4.12Å; V311-I339 HydrophobicContact CB-CG1 4.47Å; V311-I339 HydrophobicContact CB-CG2 4.38Å; V311-I339 HydrophobicContact CG1-CG2 4.06Å; V311-I339 HydrophobicContact CG2-CD1 4.45Å; V311-I339 HydrophobicContact CG2-CG1 4.36Å; V311-M343 HydrophobicContact CG1-CE 4.11Å
312	V	97.6	Very high	97.9	Very high	17 Å²	17	38.1 Å²	38.1	10%	0.103	19%	0.185	C	C	.	.	H	α-helix	trans	-57.6	-29.7	178.3	64.8	0	0	0	0	113	A310 M343 Y346 F350	A310-V312 PolarHBondContact O-N 3.11Å; A310-V312 VanDerWaalsContact O-N 3.12Å; V312-M343 HydrophobicContact CB-CG 4.25Å; V312-M343 HydrophobicContact CG2-CG 4.04Å; V312-Y346 HydrophobicContact CG2-CD2 4.46Å; V312-F350 HydrophobicContact CG2-CE2 3.95Å; V312-F350 HydrophobicContact CG2-CZ 3.95Å
313	Y	97.5	Very high	98	Very high	78 Å²	78	34.8 Å²	34.8	31%	0.306	17%	0.17	S	C	.	.	H	α-helix	trans	-82.4	-20.3	-175.1	-58.1	-61.5	0	0	0	113.8	E276 I279 A310 V311 H316	E276-Y313 HydrophobicContact CG-CD1 3.79Å; E276-Y313 HydrophobicContact CG-CD2 4.08Å; E276-Y313 HydrophobicContact CG-CE1 3.72Å; E276-Y313 HydrophobicContact CG-CE2 4.03Å; E276-Y313 HydrophobicContact CG-CG 3.98Å; I279-Y313 HydrophobicContact CG2-CD2 4.25Å; I279-Y313 HydrophobicContact CG2-CG 4.35Å; A310-Y313 HydrophobicContact CB-CD2 4.42Å; A310-Y313 WeakPolarHBondContact O-CB 3.45Å; A310-Y313 WeakPolarHBondContact O-CD2 3.4Å; A310-Y313 PolarHBondContact O-N 3.03Å; V311-Y313 PolarHBondContact O-N 3.28Å; V311-Y313 VanDerWaalsContact O-N 3.14Å; Y313-H316 PolarHBondContact O-CE1 3.26Å; Y313-H316 PolarHBondContact O-ND1 2.68Å
314	M	96.4	Very high	98	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-98.2	-22.3	-177.8	59.5	-179.7	71.5	0	0	114.2	I279 H285 V311 H316 T317 G320 V323	I279-M314 HydrophobicContact CD1-CE 3.42Å; I279-M314 VanDerWaalsContact CD1-CE 3.42Å; I279-M314 HydrophobicContact CG1-CE 3.54Å; H285-M314 VanDerWaalsContact CD2-CB 3.41Å; H285-M314 WeakPolarHBondContact CD2-CB 3.47Å; H285-M314 WeakPolarHBondContact NE2-CA 3.4Å; H285-M314 VanDerWaalsContact NE2-CB 3.27Å; H285-M314 WeakPolarHBondContact NE2-CB 3.45Å; V311-M314 WeakPolarHBondContact O-CG 3.23Å; V311-M314 PolarHBondContact O-N 3.3Å; M314-H316 PolarHBondContact O-N 2.87Å; M314-T317 PolarHBondContact O-N 2.73Å; M314-T317 PolarHBondContact O-OG1 2.92Å; M314-G320 CarbonylContact O-C 3.35Å; M314-G320 VanDerWaalsContact O-CA 3.31Å; M314-G320 WeakPolarHBondContact O-CA 3.27Å; M314-V323 HydrophobicContact SD-CB 3.85Å; M314-V323 HydrophobicContact SD-CG1 3.35Å; M314-V323 WeakPolarHBondContact SD-CG1 3.45Å
315	A	97	Very high	98	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-0.5	-169.5	0	0	0	0	0	116.6	V311 A324 F350 G356 V359	V311-A315 PolarHBondContact O-N 3.06Å; A315-A324 HydrophobicContact CB-CB 4.09Å; A315-F350 HydrophobicContact CB-CD1 4.35Å; A315-F350 HydrophobicContact CB-CE1 3.32Å; A315-F350 HydrophobicContact CB-CZ 3.74Å; A315-G356 WeakPolarHBondContact O-CA 3.32Å; A315-V359 HydrophobicContact CB-CG2 4.1Å
316	H	96.4	Very high	98	Very high	96 Å²	96	30.5 Å²	30.5	44%	0.444	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.3	-178	67.2	-80.4	0	0	0	114	R280 Y313 M314	R280-H316 PolarHBondContact O-CE1 3.39Å; Y313-H316 PolarHBondContact O-CE1 3.26Å; Y313-H316 PolarHBondContact O-ND1 2.68Å; M314-H316 PolarHBondContact O-N 2.87Å
317	T	98.3	Very high	98.1	Very high	25 Å²	25	27.4 Å²	27.4	15%	0.153	13%	0.128	C	C	.	.	S	Bend	trans	-108.5	164.6	178.7	67.9	0	0	0	0	111.2	H285 M314 D319 G320 A321 F355	H285-T317 PolarHBondContact CE1-OG1 3.27Å; H285-T317 WeakPolarHBondContact ND1-CG2 3.31Å; H285-T317 PolarHBondContact ND1-OG1 3.03Å; M314-T317 PolarHBondContact O-N 2.73Å; M314-T317 PolarHBondContact O-OG1 2.92Å; T317-D319 PolarHBondContact O-N 3.4Å; T317-G320 PolarHBondContact O-N 3.11Å; T317-G320 WeakPolarHBondContact OG1-CA 3.41Å; T317-G320 PolarHBondContact OG1-N 3.33Å; T317-A321 VanDerWaalsContact O-CB 3.29Å; T317-A321 WeakPolarHBondContact O-CB 3.49Å; T317-A321 PolarHBondContact O-N 3.09Å; T317-F355 VanDerWaalsContact C-CD2 3.41Å; T317-F355 WeakPolarHBondContact O-CB 3.43Å
318	H	98.1	Very high	98.1	Very high	88 Å²	88	27.3 Å²	27.3	41%	0.407	13%	0.127	S	C	.	.	H	α-helix	trans	-50.5	-56	176	-179	-95.6	0	0	0	112.3	R322 F355	H318-R322 PolarHBondContact CD2-NH1 2.83Å; H318-R322 PolarHBondContact CE1-NH1 2.97Å; H318-R322 PolarHBondContact CE1-NH2 3.44Å; H318-R322 PolarHBondContact ND1-NH1 2.88Å; H318-R322 VanDerWaalsContact NE2-CZ 3.28Å; H318-R322 PolarHBondContact NE2-NH1 2.85Å; H318-R322 PolarHBondContact NE2-NH2 3.09Å; H318-R322 PolarHBondContact O-NH1 3.11Å; H318-F355 HydrophobicContact CB-CD1 4.1Å; H318-F355 HydrophobicContact CB-CD2 4.4Å; H318-F355 HydrophobicContact CB-CE1 3.83Å; H318-F355 HydrophobicContact CB-CE2 4.12Å; H318-F355 HydrophobicContact CB-CG 4.38Å; H318-F355 HydrophobicContact CB-CZ 3.83Å; H318-F355 AromaticContact CD2-CE1 3.63Å
319	D	98.6	Very high	98.1	Very high	34 Å²	34	25.9 Å²	25.9	18%	0.182	12%	0.122	C	C	.	.	H	α-helix	trans	-77.5	-38.6	-176.2	-61.4	-10.9	0	0	0	111.5	H285 L289 T317 A321 R322 V323	H285-D319 HydrophobicContact CB-CB 4.11Å; L289-D319 HydrophobicContact CB-CB 4.27Å; L289-D319 HydrophobicContact CD2-CB 3.85Å; T317-D319 PolarHBondContact O-N 3.4Å; D319-A321 VanDerWaalsContact C-N 3.33Å; D319-A321 PolarHBondContact O-N 3.17Å; D319-R322 WeakPolarHBondContact O-CB 3.13Å; D319-R322 PolarHBondContact O-N 3.43Å; D319-V323 WeakPolarHBondContact O-CG2 3.43Å; D319-V323 PolarHBondContact O-N 2.94Å
320	G	98.6	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68	-29.8	-178.4	0	0	0	0	0	113.7	M314 T317 V323 A324	M314-G320 CarbonylContact O-C 3.35Å; M314-G320 VanDerWaalsContact O-CA 3.31Å; M314-G320 WeakPolarHBondContact O-CA 3.27Å; T317-G320 PolarHBondContact O-N 3.11Å; T317-G320 WeakPolarHBondContact OG1-CA 3.41Å; T317-G320 PolarHBondContact OG1-N 3.33Å; G320-V323 PolarHBondContact O-N 3Å; G320-A324 PolarHBondContact O-N 3.12Å
321	A	98.8	Very high	98.2	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-65.1	-40.2	169.7	0	0	0	0	0	111.6	T317 D319 A324 M325 F355 V359	T317-A321 VanDerWaalsContact O-CB 3.29Å; T317-A321 WeakPolarHBondContact O-CB 3.49Å; T317-A321 PolarHBondContact O-N 3.09Å; D319-A321 VanDerWaalsContact C-N 3.33Å; D319-A321 PolarHBondContact O-N 3.17Å; A321-A324 WeakPolarHBondContact O-CB 3.38Å; A321-A324 PolarHBondContact O-N 3.39Å; A321-M325 VanDerWaalsContact O-CG 3.23Å; A321-M325 WeakPolarHBondContact O-CG 3.38Å; A321-M325 PolarHBondContact O-N 3.46Å; A321-F355 HydrophobicContact CB-CB 3.72Å; A321-F355 WeakPolarHBondContact CB-O 3.32Å; A321-V359 HydrophobicContact CB-CG2 4Å
322	R	98.8	Very high	98.2	Very high	44 Å²	44	22.6 Å²	22.6	17%	0.166	11%	0.108	C	C	.	.	H	α-helix	trans	-66.1	-40.3	175.6	-71	-177.7	-177.7	82.7	-7.1	112.4	L289 H318 D319 A324 M325 H326 Q417	L289-R322 HydrophobicContact CD1-CB 3.6Å; L289-R322 HydrophobicContact CD2-CB 4.31Å; H318-R322 PolarHBondContact CD2-NH1 2.83Å; H318-R322 PolarHBondContact CE1-NH1 2.97Å; H318-R322 PolarHBondContact CE1-NH2 3.44Å; H318-R322 PolarHBondContact ND1-NH1 2.88Å; H318-R322 VanDerWaalsContact NE2-CZ 3.28Å; H318-R322 PolarHBondContact NE2-NH1 2.85Å; H318-R322 PolarHBondContact NE2-NH2 3.09Å; H318-R322 PolarHBondContact O-NH1 3.11Å; D319-R322 WeakPolarHBondContact O-CB 3.13Å; D319-R322 PolarHBondContact O-N 3.43Å; R322-A324 VanDerWaalsContact C-N 3.29Å; R322-A324 PolarHBondContact O-N 3.38Å; R322-M325 WeakPolarHBondContact O-CB 3.18Å; R322-M325 PolarHBondContact O-N 3.06Å; R322-M325 VanDerWaalsContact O-N 3.17Å; R322-H326 PolarHBondContact O-CD2 3.09Å; R322-H326 VanDerWaalsContact O-CD2 3.23Å; R322-H326 PolarHBondContact O-N 3.07Å; R322-Q417 VanDerWaalsContact NE-CD 3.25Å
323	V	98.8	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.3	-46.4	171.3	176	0	0	0	0	110.4	F288 L289 F292 M314 D319 G320 M325 H326 C327	F288-V323 HydrophobicContact CB-CB 4.49Å; F288-V323 HydrophobicContact CB-CG1 4.02Å; F288-V323 HydrophobicContact CB-CG2 3.65Å; L289-V323 HydrophobicContact CB-CG2 3.87Å; F292-V323 HydrophobicContact CD2-CG1 3.79Å; F292-V323 HydrophobicContact CD2-CG2 4.46Å; F292-V323 HydrophobicContact CE2-CG1 3.65Å; M314-V323 HydrophobicContact SD-CB 3.85Å; M314-V323 HydrophobicContact SD-CG1 3.35Å; M314-V323 WeakPolarHBondContact SD-CG1 3.45Å; D319-V323 WeakPolarHBondContact O-CG2 3.43Å; D319-V323 PolarHBondContact O-N 2.94Å; G320-V323 PolarHBondContact O-N 3Å; V323-M325 VanDerWaalsContact C-N 3.32Å; V323-M325 PolarHBondContact O-N 3.03Å; V323-H326 PolarHBondContact O-N 2.91Å; V323-C327 PolarHBondContact O-N 3.4Å; V323-C327 PolarHBondContact O-SG 3.08Å; V323-C327 VanDerWaalsContact O-SG 3.33Å
324	A	98.8	Very high	98.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.7	-39.6	176.5	0	0	0	0	0	112.7	V311 A315 G320 A321 R322 C327 L328 V359	V311-A324 HydrophobicContact CG1-CB 3.41Å; V311-A324 VanDerWaalsContact CG1-CB 3.41Å; A315-A324 HydrophobicContact CB-CB 4.09Å; G320-A324 PolarHBondContact O-N 3.12Å; A321-A324 WeakPolarHBondContact O-CB 3.38Å; A321-A324 PolarHBondContact O-N 3.39Å; R322-A324 VanDerWaalsContact C-N 3.29Å; R322-A324 PolarHBondContact O-N 3.38Å; A324-C327 PolarHBondContact O-N 3.24Å; A324-L328 WeakPolarHBondContact O-CG 3.35Å; A324-L328 PolarHBondContact O-N 3.1Å; A324-V359 HydrophobicContact CB-CG1 3.96Å; A324-V359 HydrophobicContact CB-CG2 3.82Å
325	M	98.9	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.2	-47.4	174.8	-65.3	163.2	68.5	0	0	111.3	A321 R322 V323 C327 L328 W329 L358 V359 A362 Q417 L418	A321-M325 VanDerWaalsContact O-CG 3.23Å; A321-M325 WeakPolarHBondContact O-CG 3.38Å; A321-M325 PolarHBondContact O-N 3.46Å; R322-M325 WeakPolarHBondContact O-CB 3.18Å; R322-M325 PolarHBondContact O-N 3.06Å; R322-M325 VanDerWaalsContact O-N 3.17Å; V323-M325 VanDerWaalsContact C-N 3.32Å; V323-M325 PolarHBondContact O-N 3.03Å; M325-C327 VanDerWaalsContact C-N 3.34Å; M325-C327 PolarHBondContact O-N 2.91Å; M325-L328 WeakPolarHBondContact O-CB 3.42Å; M325-L328 PolarHBondContact O-N 2.74Å; M325-L328 VanDerWaalsContact O-N 3.09Å; M325-W329 HydrophobicContact CB-CD2 4.24Å; M325-W329 HydrophobicContact CB-CE3 4.24Å; M325-W329 HydrophobicContact CB-CH2 3.78Å; M325-W329 HydrophobicContact CB-CZ2 3.76Å; M325-W329 HydrophobicContact CB-CZ3 4.01Å; M325-W329 HydrophobicContact CE-CH2 3.46Å; M325-W329 VanDerWaalsContact CE-CH2 3.46Å; M325-W329 HydrophobicContact CE-CZ2 3.34Å; M325-W329 HydrophobicContact CG-CZ2 4.39Å; M325-W329 VanDerWaalsContact O-CD2 3.24Å; M325-W329 PolarHBondContact O-N 3.08Å; M325-L358 HydrophobicContact CE-CB 4.45Å; M325-L358 HydrophobicContact SD-CB 3.8Å; M325-V359 HydrophobicContact CG-CG2 4.49Å; M325-A362 HydrophobicContact CB-CB 4.13Å; M325-A362 HydrophobicContact CG-CB 3.78Å; M325-Q417 HydrophobicContact CE-CG 4.13Å; M325-Q417 PolarHBondContact SD-NE2 2.99Å; M325-Q417 VanDerWaalsContact SD-NE2 3.45Å; M325-L418 HydrophobicContact CE-CD2 3.74Å; M325-L418 HydrophobicContact CE-CG 4.44Å
326	H	98.8	Very high	98.5	Very high	14 Å²	14	28.1 Å²	28.1	7%	0.065	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-40.5	174.8	-78.4	-73.7	0	0	0	112.9	F292 R322 V323 L328 W329 H330	F292-H326 HydrophobicContact CB-CB 4.02Å; F292-H326 HydrophobicContact CD1-CB 3.64Å; F292-H326 HydrophobicContact CE1-CB 4.29Å; F292-H326 HydrophobicContact CG-CB 3.87Å; R322-H326 PolarHBondContact O-CD2 3.09Å; R322-H326 VanDerWaalsContact O-CD2 3.23Å; R322-H326 PolarHBondContact O-N 3.07Å; V323-H326 PolarHBondContact O-N 2.91Å; H326-L328 VanDerWaalsContact C-N 3.26Å; H326-L328 PolarHBondContact O-N 3.43Å; H326-W329 AromaticContact ND1-CE3 3.89Å; H326-W329 PolarHBondContact O-N 3.44Å; H326-H330 AromaticContact ND1-CD2 3.7Å; H326-H330 AromaticContact ND1-NE2 3.36Å; H326-H330 PolarHBondContact ND1-NE2 3.19Å; H326-H330 PolarHBondContact O-CD2 3.15Å; H326-H330 VanDerWaalsContact O-CD2 3.29Å; H326-H330 PolarHBondContact O-N 3.25Å
327	C	98.8	Very high	98.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.7	-35.9	174.4	-70.8	0	0	0	0	112.5	F292 I304 V311 V323 A324 M325 G331 I339	F292-C327 WeakPolarHBondContact CZ-SG 3.43Å; I304-C327 HydrophobicContact CG1-CB 4.43Å; I304-C327 HydrophobicContact CG2-CB 4.39Å; V311-C327 HydrophobicContact CG2-CB 4.12Å; V323-C327 PolarHBondContact O-N 3.4Å; V323-C327 PolarHBondContact O-SG 3.08Å; V323-C327 VanDerWaalsContact O-SG 3.33Å; A324-C327 PolarHBondContact O-N 3.24Å; M325-C327 VanDerWaalsContact C-N 3.34Å; M325-C327 PolarHBondContact O-N 2.91Å; C327-G331 VanDerWaalsContact O-CA 3.27Å; C327-G331 WeakPolarHBondContact O-CA 3.49Å; C327-G331 PolarHBondContact O-N 3.3Å; C327-G331 VanDerWaalsContact O-N 3.08Å; C327-I339 HydrophobicContact CB-CD1 3.85Å
328	L	98.8	Very high	98.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-75.3	-47.4	177	-72.6	164.2	0	0	0	111.8	A324 M325 H326 R336 I339 V359 A362 I363 C366	A324-L328 WeakPolarHBondContact O-CG 3.35Å; A324-L328 PolarHBondContact O-N 3.1Å; M325-L328 WeakPolarHBondContact O-CB 3.42Å; M325-L328 PolarHBondContact O-N 2.74Å; M325-L328 VanDerWaalsContact O-N 3.09Å; H326-L328 VanDerWaalsContact C-N 3.26Å; H326-L328 PolarHBondContact O-N 3.43Å; L328-R336 HydrophobicContact CD2-CG 4.41Å; L328-R336 PolarHBondContact O-NE 3.23Å; L328-R336 PolarHBondContact O-NH2 3.07Å; L328-I339 HydrophobicContact CD2-CB 4.31Å; L328-I339 HydrophobicContact CD2-CD1 4.36Å; L328-I339 HydrophobicContact CD2-CG2 3.9Å; L328-I339 HydrophobicContact CG-CG2 4.37Å; L328-V359 HydrophobicContact CD1-CG1 3.63Å; L328-A362 HydrophobicContact CD1-CB 4.27Å; L328-I363 HydrophobicContact CD1-CD1 4.37Å; L328-I363 HydrophobicContact CD1-CG1 3.6Å; L328-I363 HydrophobicContact CD2-CG1 3.97Å; L328-I363 HydrophobicContact CG-CG1 4.43Å; L328-C366 PolarHBondContact O-SG 3.34Å
329	W	98.6	Very high	98.7	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-49.4	-178	-62.3	-34	0	0	0	111.8	M325 H326 R336 A362 Q417 Q420 N424	M325-W329 HydrophobicContact CB-CD2 4.24Å; M325-W329 HydrophobicContact CB-CE3 4.24Å; M325-W329 HydrophobicContact CB-CH2 3.78Å; M325-W329 HydrophobicContact CB-CZ2 3.76Å; M325-W329 HydrophobicContact CB-CZ3 4.01Å; M325-W329 HydrophobicContact CE-CH2 3.46Å; M325-W329 VanDerWaalsContact CE-CH2 3.46Å; M325-W329 HydrophobicContact CE-CZ2 3.34Å; M325-W329 HydrophobicContact CG-CZ2 4.39Å; M325-W329 VanDerWaalsContact O-CD2 3.24Å; M325-W329 PolarHBondContact O-N 3.08Å; H326-W329 AromaticContact ND1-CE3 3.89Å; H326-W329 PolarHBondContact O-N 3.44Å; W329-R336 PolarHBondContact O-NH2 2.76Å; W329-A362 HydrophobicContact CZ2-CB 4.37Å; W329-Q417 WeakPolarHBondContact CH2-O 3.46Å; W329-Q420 HydrophobicContact CH2-CB 4.08Å; W329-Q420 HydrophobicContact CZ3-CB 3.84Å; W329-N424 VanDerWaalsContact O-CB 3.29Å; W329-N424 WeakPolarHBondContact O-CB 3.31Å; W329-N424 PolarHBondContact O-OD1 2.74Å; W329-N424 VanDerWaalsContact O-OD1 3.07Å
330	H	98.4	Very high	98.7	Very high	34 Å²	34	22.7 Å²	22.7	16%	0.157	12%	0.119	C	C	.	.	H	α-helix	trans	-96.3	-3.3	-174.4	-50.2	-61.9	0	0	0	113.6	R300 I304 H326	R300-H330 HydrophobicContact CG-CB 4.42Å; I304-H330 HydrophobicContact CD1-CB 3.79Å; H326-H330 AromaticContact ND1-CD2 3.7Å; H326-H330 AromaticContact ND1-NE2 3.36Å; H326-H330 PolarHBondContact ND1-NE2 3.19Å; H326-H330 PolarHBondContact O-CD2 3.15Å; H326-H330 VanDerWaalsContact O-CD2 3.29Å; H326-H330 PolarHBondContact O-N 3.25Å
331	G	98.4	Very high	98.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	14%	0.144	C	C	.	.	S	Bend	trans	-76.4	153.4	176.3	0	0	0	0	0	112.8	C327 R336 H426	C327-G331 VanDerWaalsContact O-CA 3.27Å; C327-G331 WeakPolarHBondContact O-CA 3.49Å; C327-G331 PolarHBondContact O-N 3.3Å; C327-G331 VanDerWaalsContact O-N 3.08Å; G331-R336 PolarHBondContact O-NE 3.15Å; G331-H426 PolarHBondContact O-CD2 3.22Å
332	T	98.6	Very high	98.6	Very high	40 Å²	40	30.5 Å²	30.5	25%	0.245	16%	0.156	C	C	.	.			trans	-67.8	169.2	173.1	69.2	0	0	0	0	111.3	K334 D335 R336	T332-K334 PolarHBondContact O-N 3.13Å; T332-K334 PolarHBondContact OG1-N 3.32Å; T332-D335 WeakPolarHBondContact CB-OD2 3.41Å; T332-D335 WeakPolarHBondContact CG2-OD2 3.44Å; T332-D335 PolarHBondContact N-OD2 3.15Å; T332-D335 PolarHBondContact O-N 3.23Å; T332-D335 PolarHBondContact OG1-N 3.25Å; T332-D335 PolarHBondContact OG1-OD2 3.08Å; T332-R336 WeakPolarHBondContact O-CG 3.37Å; T332-R336 PolarHBondContact O-N 3.41Å
333	A	98.4	Very high	98.5	Very high	74 Å²	74	28.4 Å²	28.4	61%	0.612	15%	0.148	S	C	*	.	H	α-helix	trans	-55.9	-34	172.2	0	0	0	0	0	112.6	K337	A333-K337 WeakPolarHBondContact O-CB 3.29Å; A333-K337 PolarHBondContact O-N 2.9Å; A333-K337 VanDerWaalsContact O-N 3.13Å
334	K	98.6	Very high	98.2	Very high	128 Å²	128	33.9 Å²	33.9	56%	0.557	17%	0.172	S	C	*	.	H	α-helix	trans	-67	-45	174.7	-176.9	-177.9	175.4	-173	0	111	T332 K337 V338	T332-K334 PolarHBondContact O-N 3.13Å; T332-K334 PolarHBondContact OG1-N 3.32Å; K334-K337 PolarHBondContact O-N 2.9Å; K334-V338 WeakPolarHBondContact O-CG2 3.47Å; K334-V338 PolarHBondContact O-N 3.39Å
335	D	98.7	Very high	98	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-49.9	-179.8	-57.7	-45	0	0	0	111.4	I304 R308 T332 K337 V338 I339	I304-D335 HydrophobicContact CG2-CB 3.89Å; R308-D335 WeakPolarHBondContact CD-OD1 3.27Å; R308-D335 IonicContact CZ-OD1 3.98Å; R308-D335 IonicContact NE-OD1 3.17Å; R308-D335 IonicContact NH1-OD1 3.73Å; R308-D335 PolarHBondContact NH1-OD1 2.91Å; T332-D335 WeakPolarHBondContact CB-OD2 3.41Å; T332-D335 WeakPolarHBondContact CG2-OD2 3.44Å; T332-D335 PolarHBondContact N-OD2 3.15Å; T332-D335 PolarHBondContact O-N 3.23Å; T332-D335 PolarHBondContact OG1-N 3.25Å; T332-D335 PolarHBondContact OG1-OD2 3.08Å; D335-K337 VanDerWaalsContact C-N 3.27Å; D335-K337 PolarHBondContact O-N 3.39Å; D335-V338 PolarHBondContact O-N 3.42Å; D335-V338 VanDerWaalsContact O-N 3.07Å; D335-I339 VanDerWaalsContact O-CG1 3.29Å; D335-I339 WeakPolarHBondContact O-CG1 3Å; D335-I339 PolarHBondContact O-N 3.2Å
336	R	98.7	Very high	97.9	Very high	6 Å²	6	44.2 Å²	44.2	2%	0.023	22%	0.223	C	C	.	.	H	α-helix	trans	-53.9	-45.3	175.7	-67.9	167.5	-178.1	172.4	0.8	111.3	L328 W329 G331 T332 V338 I339 I340 C366 V367 N424 H426 S427	L328-R336 HydrophobicContact CD2-CG 4.41Å; L328-R336 PolarHBondContact O-NE 3.23Å; L328-R336 PolarHBondContact O-NH2 3.07Å; W329-R336 PolarHBondContact O-NH2 2.76Å; G331-R336 PolarHBondContact O-NE 3.15Å; T332-R336 WeakPolarHBondContact O-CG 3.37Å; T332-R336 PolarHBondContact O-N 3.41Å; R336-V338 PolarHBondContact O-N 3.02Å; R336-I339 PolarHBondContact O-N 3.37Å; R336-I340 WeakPolarHBondContact O-CB 3.45Å; R336-I340 WeakPolarHBondContact O-CD1 3.43Å; R336-I340 WeakPolarHBondContact O-CG1 3.4Å; R336-I340 PolarHBondContact O-N 3.26Å; R336-C366 PolarHBondContact NH1-O 3.35Å; R336-V367 HydrophobicContact CB-CG2 4.35Å; R336-V367 HydrophobicContact CG-CG2 4.44Å; R336-N424 PolarHBondContact NH2-OD1 2.98Å; R336-H426 VanDerWaalsContact NH1-C 3.26Å; R336-H426 PolarHBondContact NH1-O 3.29Å; R336-S427 PolarHBondContact NH1-OG 3.35Å; R336-S427 PolarHBondContact NH2-OG 3.24Å
337	K	98.7	Very high	97.9	Very high	95 Å²	95	43.6 Å²	43.6	41%	0.413	22%	0.22	S	C	.	.	H	α-helix	trans	-61.8	-42.5	177.4	178.7	173.4	-177.5	171.9	0	112.7	A333 K334 D335 K341 L372	A333-K337 WeakPolarHBondContact O-CB 3.29Å; A333-K337 PolarHBondContact O-N 2.9Å; A333-K337 VanDerWaalsContact O-N 3.13Å; K334-K337 PolarHBondContact O-N 2.9Å; D335-K337 VanDerWaalsContact C-N 3.27Å; D335-K337 PolarHBondContact O-N 3.39Å; K337-K341 HydrophobicContact CG-CD 4.42Å; K337-K341 WeakPolarHBondContact O-CB 3.44Å; K337-K341 VanDerWaalsContact O-CG 3.28Å; K337-K341 WeakPolarHBondContact O-CG 3.35Å; K337-K341 PolarHBondContact O-N 3.34Å; K337-K341 VanDerWaalsContact O-N 3.11Å; K337-L372 HydrophobicContact CB-CD2 3.99Å; K337-L372 HydrophobicContact CG-CD2 3.92Å
338	V	98.7	Very high	97.8	Very high	34 Å²	34	44.9 Å²	44.9	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-47.7	176.9	173	0	0	0	0	110.5	R308 E309 K334 D335 R336 I340 K341 T342	R308-V338 HydrophobicContact CB-CG1 4.37Å; R308-V338 HydrophobicContact CG-CB 4.32Å; R308-V338 HydrophobicContact CG-CG1 3.87Å; E309-V338 HydrophobicContact CG-CG1 3.73Å; K334-V338 WeakPolarHBondContact O-CG2 3.47Å; K334-V338 PolarHBondContact O-N 3.39Å; D335-V338 PolarHBondContact O-N 3.42Å; D335-V338 VanDerWaalsContact O-N 3.07Å; R336-V338 PolarHBondContact O-N 3.02Å; V338-I340 PolarHBondContact O-N 3.2Å; V338-K341 PolarHBondContact O-N 3.05Å; V338-T342 PolarHBondContact O-N 2.67Å
339	I	98.7	Very high	97.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.8	-49	179	-66.5	165.5	0	0	0	110.8	R308 V311 C327 L328 D335 R336 K341 T342 M343	R308-I339 HydrophobicContact CB-CD1 4.33Å; R308-I339 HydrophobicContact CB-CG1 3.91Å; R308-I339 WeakPolarHBondContact O-CG1 3.42Å; V311-I339 HydrophobicContact CB-CG1 4.47Å; V311-I339 HydrophobicContact CB-CG2 4.38Å; V311-I339 HydrophobicContact CG1-CG2 4.06Å; V311-I339 HydrophobicContact CG2-CD1 4.45Å; V311-I339 HydrophobicContact CG2-CG1 4.36Å; C327-I339 HydrophobicContact CB-CD1 3.85Å; L328-I339 HydrophobicContact CD2-CB 4.31Å; L328-I339 HydrophobicContact CD2-CD1 4.36Å; L328-I339 HydrophobicContact CD2-CG2 3.9Å; L328-I339 HydrophobicContact CG-CG2 4.37Å; D335-I339 VanDerWaalsContact O-CG1 3.29Å; D335-I339 WeakPolarHBondContact O-CG1 3Å; D335-I339 PolarHBondContact O-N 3.2Å; R336-I339 PolarHBondContact O-N 3.37Å; I339-K341 VanDerWaalsContact C-N 3.3Å; I339-K341 PolarHBondContact O-N 3.17Å; I339-T342 PolarHBondContact O-N 3.01Å; I339-T342 PolarHBondContact O-OG1 3.29Å; I339-M343 HydrophobicContact CG2-CE 3.38Å; I339-M343 HydrophobicContact CG2-SD 4.17Å; I339-M343 WeakPolarHBondContact O-CG 3.27Å; I339-M343 PolarHBondContact O-N 2.99Å
340	I	98.6	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-38.5	179.8	-66.6	163.1	0	0	0	111.1	R336 V338 T342 M343 K344 M347 I363 V367 L372 A376 V377	R336-I340 WeakPolarHBondContact O-CB 3.45Å; R336-I340 WeakPolarHBondContact O-CD1 3.43Å; R336-I340 WeakPolarHBondContact O-CG1 3.4Å; R336-I340 PolarHBondContact O-N 3.26Å; V338-I340 PolarHBondContact O-N 3.2Å; I340-T342 PolarHBondContact O-N 3.22Å; I340-M343 PolarHBondContact O-N 3.28Å; I340-K344 PolarHBondContact O-N 3.31Å; I340-M347 HydrophobicContact CG2-CE 4.13Å; I340-M347 WeakPolarHBondContact O-CE 3.35Å; I340-I363 HydrophobicContact CD1-CG2 4.28Å; I340-I363 HydrophobicContact CG1-CD1 4.06Å; I340-I363 HydrophobicContact CG1-CG1 4.34Å; I340-V367 HydrophobicContact CD1-CG1 3.98Å; I340-V367 HydrophobicContact CD1-CG2 3.95Å; I340-L372 HydrophobicContact CB-CD2 4.34Å; I340-L372 HydrophobicContact CD1-CD2 3.92Å; I340-L372 HydrophobicContact CG2-CD1 4.48Å; I340-L372 HydrophobicContact CG2-CD2 4.34Å; I340-L372 HydrophobicContact CG2-CG 4.2Å; I340-A376 HydrophobicContact CG2-CB 3.85Å; I340-V377 HydrophobicContact CG2-CG2 4.08Å
341	K	98.1	Very high	97.8	Very high	123 Å²	123	48.1 Å²	48.1	54%	0.535	24%	0.242	S	C	.	.	H	α-helix	trans	-66.7	-35.3	178.9	-80.4	-175.8	172.9	-164.5	0	113.2	K337 V338 I339 M343 K344	K337-K341 HydrophobicContact CG-CD 4.42Å; K337-K341 WeakPolarHBondContact O-CB 3.44Å; K337-K341 VanDerWaalsContact O-CG 3.28Å; K337-K341 WeakPolarHBondContact O-CG 3.35Å; K337-K341 PolarHBondContact O-N 3.34Å; K337-K341 VanDerWaalsContact O-N 3.11Å; V338-K341 PolarHBondContact O-N 3.05Å; I339-K341 VanDerWaalsContact C-N 3.3Å; I339-K341 PolarHBondContact O-N 3.17Å; K341-M343 VanDerWaalsContact C-N 3.26Å; K341-M343 PolarHBondContact O-N 3.09Å; K341-K344 VanDerWaalsContact O-CB 3.31Å; K341-K344 WeakPolarHBondContact O-CB 3.33Å; K341-K344 PolarHBondContact O-N 3.43Å
342	T	97.6	Very high	97.7	Very high	41 Å²	41	49.6 Å²	49.6	25%	0.252	25%	0.25	S	S	.	.	H	α-helix	trans	-72	-23.7	175.9	59.6	0	0	0	0	112.4	V338 I339 I340	V338-T342 PolarHBondContact O-N 2.67Å; I339-T342 PolarHBondContact O-N 3.01Å; I339-T342 PolarHBondContact O-OG1 3.29Å; I340-T342 PolarHBondContact O-N 3.22Å
343	M	97.2	Very high	97.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-80.4	-14.7	174.3	-65.4	172.7	-177.6	0	0	113.9	V311 V312 I339 I340 K341 Y346 M347 F350 V359 I363	V311-M343 HydrophobicContact CG1-CE 4.11Å; V312-M343 HydrophobicContact CB-CG 4.25Å; V312-M343 HydrophobicContact CG2-CG 4.04Å; I339-M343 HydrophobicContact CG2-CE 3.38Å; I339-M343 HydrophobicContact CG2-SD 4.17Å; I339-M343 WeakPolarHBondContact O-CG 3.27Å; I339-M343 PolarHBondContact O-N 2.99Å; I340-M343 PolarHBondContact O-N 3.28Å; K341-M343 VanDerWaalsContact C-N 3.26Å; K341-M343 PolarHBondContact O-N 3.09Å; M343-Y346 WeakPolarHBondContact O-CA 3.39Å; M343-Y346 WeakPolarHBondContact O-CB 3.22Å; M343-Y346 PolarHBondContact O-N 2.97Å; M343-M347 HydrophobicContact CB-CE 3.54Å; M343-M347 HydrophobicContact CB-SD 4.07Å; M343-F350 HydrophobicContact CB-CE2 4.46Å; M343-F350 HydrophobicContact CE-CE1 3.9Å; M343-F350 HydrophobicContact CE-CZ 4.14Å; M343-F350 HydrophobicContact CG-CE1 4.27Å; M343-F350 HydrophobicContact CG-CE2 4.13Å; M343-F350 HydrophobicContact CG-CZ 3.83Å; M343-F350 HydrophobicContact SD-CE1 4.03Å; M343-F350 HydrophobicContact SD-CZ 4.21Å; M343-V359 HydrophobicContact CE-CG1 3.76Å; M343-V359 HydrophobicContact SD-CG1 4.35Å; M343-I363 HydrophobicContact SD-CD1 4.18Å
344	K	93.2	Very high	97.6	Very high	116 Å²	116	50.9 Å²	50.9	50%	0.504	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	143.2	178.8	-167.6	-179.5	-179.4	178.7	0	110.1	I340 K341 Y346 E380	I340-K344 PolarHBondContact O-N 3.31Å; K341-K344 VanDerWaalsContact O-CB 3.31Å; K341-K344 WeakPolarHBondContact O-CB 3.33Å; K341-K344 PolarHBondContact O-N 3.43Å; K344-Y346 PolarHBondContact O-N 3.25Å; K344-E380 WeakPolarHBondContact CG-OE1 3.37Å
345	T	94	Very high	97.6	Very high	101 Å²	101	47.1 Å²	47.1	62%	0.62	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	-5.4	-171.3	75.6	0	0	0	0	115.7	E380	T345-E380 VanDerWaalsContact CA-OE2 3.26Å; T345-E380 WeakPolarHBondContact CA-OE2 3.28Å; T345-E380 VanDerWaalsContact N-CD 3.33Å; T345-E380 PolarHBondContact N-OE1 3.11Å; T345-E380 PolarHBondContact N-OE2 3.47Å; T345-E380 VanDerWaalsContact N-OE2 3.12Å
346	Y	96.9	Very high	97.6	Very high	116 Å²	116	47.1 Å²	47.1	46%	0.455	23%	0.231	S	C	.	.			trans	-116.7	5.3	177.4	-54.9	-64.2	0	0	0	112.9	V312 M343 K344 V348 K349 F350	V312-Y346 HydrophobicContact CG2-CD2 4.46Å; M343-Y346 WeakPolarHBondContact O-CA 3.39Å; M343-Y346 WeakPolarHBondContact O-CB 3.22Å; M343-Y346 PolarHBondContact O-N 2.97Å; K344-Y346 PolarHBondContact O-N 3.25Å; Y346-V348 VanDerWaalsContact C-N 3.3Å; Y346-V348 PolarHBondContact O-N 3.14Å; Y346-K349 WeakPolarHBondContact O-CA 3.48Å; Y346-K349 WeakPolarHBondContact O-CB 3.39Å; Y346-K349 PolarHBondContact O-N 3.22Å; Y346-F350 WeakPolarHBondContact O-CD2 3.4Å; Y346-F350 PolarHBondContact O-N 3.37Å
347	M	97.6	Very high	97.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-39.6	-171.8	-64.3	-63.5	177.5	0	0	112.7	I340 M343 K349 F350 A351 L360 A376 V377 E380 L381	I340-M347 HydrophobicContact CG2-CE 4.13Å; I340-M347 WeakPolarHBondContact O-CE 3.35Å; M343-M347 HydrophobicContact CB-CE 3.54Å; M343-M347 HydrophobicContact CB-SD 4.07Å; M347-K349 VanDerWaalsContact C-N 3.33Å; M347-K349 PolarHBondContact O-N 3.24Å; M347-F350 WeakPolarHBondContact O-CB 3.32Å; M347-F350 PolarHBondContact O-N 2.97Å; M347-A351 PolarHBondContact O-N 3.05Å; M347-L360 HydrophobicContact SD-CD2 4.03Å; M347-A376 WeakPolarHBondContact CE-O 3.45Å; M347-A376 WeakPolarHBondContact CG-O 3.36Å; M347-V377 HydrophobicContact CE-CG2 3.8Å; M347-V377 HydrophobicContact SD-CB 4.33Å; M347-V377 HydrophobicContact SD-CG1 4.1Å; M347-V377 HydrophobicContact SD-CG2 4Å; M347-E380 HydrophobicContact CB-CB 3.93Å; M347-E380 WeakPolarHBondContact CB-OE2 3.26Å; M347-E380 HydrophobicContact CG-CB 4.29Å; M347-E380 HydrophobicContact CG-CG 4.48Å; M347-E380 WeakPolarHBondContact CG-OE2 3.3Å; M347-E380 PolarHBondContact N-OE2 3.47Å; M347-L381 HydrophobicContact CB-CD2 4.08Å; M347-L381 HydrophobicContact CB-CG 4.5Å
348	V	97.9	Very high	97.6	Very high	27 Å²	27	43 Å²	43	16%	0.164	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-41.2	176.1	-176.6	0	0	0	0	111.1	Y346 F350 A351 T352 L381 V384 V388	Y346-V348 VanDerWaalsContact C-N 3.3Å; Y346-V348 PolarHBondContact O-N 3.14Å; V348-F350 VanDerWaalsContact C-N 3.32Å; V348-F350 PolarHBondContact O-N 2.85Å; V348-A351 PolarHBondContact O-N 3.37Å; V348-T352 HydrophobicContact CG1-CG2 4.32Å; V348-T352 WeakPolarHBondContact O-CB 3.47Å; V348-T352 VanDerWaalsContact O-CG2 3.3Å; V348-T352 WeakPolarHBondContact O-CG2 3.42Å; V348-T352 PolarHBondContact O-N 3.12Å; V348-T352 PolarHBondContact O-OG1 3.5Å; V348-L381 HydrophobicContact CG2-CD2 4.48Å; V348-V384 HydrophobicContact CB-CG2 4.4Å; V348-V384 HydrophobicContact CG1-CG2 4.07Å; V348-V384 HydrophobicContact CG2-CG2 3.41Å; V348-V384 VanDerWaalsContact CG2-CG2 3.41Å; V348-V388 HydrophobicContact CG1-CG2 4.34Å
349	K	97.7	Very high	97.6	Very high	92 Å²	92	41.4 Å²	41.4	40%	0.4	20%	0.204	S	C	.	.	H	α-helix	trans	-65.5	-36.4	175.9	179.4	-174.1	161.8	-168.1	0	111.8	F31 Y346 M347 T352 G353	F31-K349 HydrophobicContact CE1-CD 4Å; F31-K349 HydrophobicContact CZ-CD 3.79Å; Y346-K349 WeakPolarHBondContact O-CA 3.48Å; Y346-K349 WeakPolarHBondContact O-CB 3.39Å; Y346-K349 PolarHBondContact O-N 3.22Å; M347-K349 VanDerWaalsContact C-N 3.33Å; M347-K349 PolarHBondContact O-N 3.24Å; K349-T352 PolarHBondContact O-OG1 3.06Å; K349-G353 PolarHBondContact O-N 2.97Å; K349-G353 VanDerWaalsContact O-N 3.17Å
350	F	98.4	Very high	97.6	Very high	13 Å²	13	41.4 Å²	41.4	6%	0.057	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-50.5	172.4	-87.3	-106	0	0	0	110.6	V312 A315 M343 Y346 M347 V348 T352 G353 G356 H357 V359 L360	V312-F350 HydrophobicContact CG2-CE2 3.95Å; V312-F350 HydrophobicContact CG2-CZ 3.95Å; A315-F350 HydrophobicContact CB-CD1 4.35Å; A315-F350 HydrophobicContact CB-CE1 3.32Å; A315-F350 HydrophobicContact CB-CZ 3.74Å; M343-F350 HydrophobicContact CB-CE2 4.46Å; M343-F350 HydrophobicContact CE-CE1 3.9Å; M343-F350 HydrophobicContact CE-CZ 4.14Å; M343-F350 HydrophobicContact CG-CE1 4.27Å; M343-F350 HydrophobicContact CG-CE2 4.13Å; M343-F350 HydrophobicContact CG-CZ 3.83Å; M343-F350 HydrophobicContact SD-CE1 4.03Å; M343-F350 HydrophobicContact SD-CZ 4.21Å; Y346-F350 WeakPolarHBondContact O-CD2 3.4Å; Y346-F350 PolarHBondContact O-N 3.37Å; M347-F350 WeakPolarHBondContact O-CB 3.32Å; M347-F350 PolarHBondContact O-N 2.97Å; V348-F350 VanDerWaalsContact C-N 3.32Å; V348-F350 PolarHBondContact O-N 2.85Å; F350-T352 VanDerWaalsContact C-N 3.29Å; F350-T352 PolarHBondContact O-N 3.14Å; F350-G353 PolarHBondContact O-N 3.45Å; F350-G353 VanDerWaalsContact O-N 3.12Å; F350-G356 CarbonylContact O-C 3.6Å; F350-H357 WeakPolarHBondContact O-CA 3.25Å; F350-H357 PolarHBondContact O-N 2.9Å; F350-V359 HydrophobicContact CD1-CB 4.28Å; F350-V359 HydrophobicContact CE1-CB 4.44Å; F350-V359 HydrophobicContact CE1-CG1 4.41Å; F350-L360 HydrophobicContact CB-CD1 4.08Å; F350-L360 HydrophobicContact CB-CD2 4.12Å; F350-L360 HydrophobicContact CB-CG 4.08Å
351	A	98.4	Very high	97.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-39.4	-178.7	0	0	0	0	0	112.9	M347 V348 G353 H357 L360 L381 V388 H393 G394 V397	M347-A351 PolarHBondContact O-N 3.05Å; V348-A351 PolarHBondContact O-N 3.37Å; A351-G353 VanDerWaalsContact C-N 3.33Å; A351-H357 WeakPolarHBondContact O-CB 3.43Å; A351-L360 HydrophobicContact CB-CD1 3.68Å; A351-L381 HydrophobicContact CB-CD2 3.6Å; A351-V388 HydrophobicContact CB-CG1 4.47Å; A351-H393 CarbonylContact O-C 3.34Å; A351-H393 WeakPolarHBondContact O-CB 3.48Å; A351-G394 VanDerWaalsContact O-CA 3.23Å; A351-G394 WeakPolarHBondContact O-CA 3.29Å; A351-G394 PolarHBondContact O-N 3.42Å; A351-V397 HydrophobicContact CB-CB 4.48Å; A351-V397 HydrophobicContact CB-CG2 3.95Å
352	T	98	Very high	97.6	Very high	31 Å²	31	35.6 Å²	35.6	19%	0.19	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.5	-179.2	57	0	0	0	0	113.9	V348 K349 F350 N391	V348-T352 HydrophobicContact CG1-CG2 4.32Å; V348-T352 WeakPolarHBondContact O-CB 3.47Å; V348-T352 VanDerWaalsContact O-CG2 3.3Å; V348-T352 WeakPolarHBondContact O-CG2 3.42Å; V348-T352 PolarHBondContact O-N 3.12Å; V348-T352 PolarHBondContact O-OG1 3.5Å; K349-T352 PolarHBondContact O-OG1 3.06Å; F350-T352 VanDerWaalsContact C-N 3.29Å; F350-T352 PolarHBondContact O-N 3.14Å; T352-N391 WeakPolarHBondContact CA-OD1 3.38Å; T352-N391 WeakPolarHBondContact CB-ND2 3.32Å; T352-N391 HydrophobicContact CG2-CB 3.77Å; T352-N391 PolarHBondContact O-OD1 2.97Å
353	G	97.9	Very high	97.7	Very high	21 Å²	21	33.6 Å²	33.6	22%	0.216	17%	0.167	C	C	.	.	S	Bend	trans	-85.2	140.7	-179	0	0	0	0	0	113.3	K349 F350 A351 F355 H357	K349-G353 PolarHBondContact O-N 2.97Å; K349-G353 VanDerWaalsContact O-N 3.17Å; F350-G353 PolarHBondContact O-N 3.45Å; F350-G353 VanDerWaalsContact O-N 3.12Å; A351-G353 VanDerWaalsContact C-N 3.33Å; G353-F355 VanDerWaalsContact C-N 3.27Å; G353-F355 PolarHBondContact O-N 3.43Å; G353-H357 PolarHBondContact O-N 2.62Å; G353-H357 PolarHBondContact O-ND1 3.27Å
354	E	96.8	Very high	97.7	Very high	120 Å²	120	33.9 Å²	33.9	56%	0.561	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-40.2	-178	-179.2	173.2	-166.3	0	0	113.5	H357	E354-H357 PolarHBondContact O-CE1 2.99Å; E354-H357 PolarHBondContact O-ND1 2.8Å
355	F	98.1	Very high	98	Very high	49 Å²	49	28.8 Å²	28.8	22%	0.215	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-31	178.3	-54	-64.9	0	0	0	113	T317 H318 A321 G353 H357 L358	T317-F355 VanDerWaalsContact C-CD2 3.41Å; T317-F355 WeakPolarHBondContact O-CB 3.43Å; H318-F355 HydrophobicContact CB-CD1 4.1Å; H318-F355 HydrophobicContact CB-CD2 4.4Å; H318-F355 HydrophobicContact CB-CE1 3.83Å; H318-F355 HydrophobicContact CB-CE2 4.12Å; H318-F355 HydrophobicContact CB-CG 4.38Å; H318-F355 HydrophobicContact CB-CZ 3.83Å; H318-F355 AromaticContact CD2-CE1 3.63Å; A321-F355 HydrophobicContact CB-CB 3.72Å; A321-F355 WeakPolarHBondContact CB-O 3.32Å; G353-F355 VanDerWaalsContact C-N 3.27Å; G353-F355 PolarHBondContact O-N 3.43Å; F355-H357 PolarHBondContact O-N 3.45Å; F355-L358 WeakPolarHBondContact O-CB 3.16Å; F355-L358 PolarHBondContact O-N 2.81Å
356	G	98.1	Very high	98.2	Very high	4 Å²	4	24 Å²	24	4%	0.041	12%	0.116	C	C	.	.	H	α-helix	trans	-59.9	-30.7	-177.8	0	0	0	0	0	113.7	A315 F350 L358 V359	A315-G356 WeakPolarHBondContact O-CA 3.32Å; F350-G356 CarbonylContact O-C 3.6Å; G356-L358 PolarHBondContact O-N 2.77Å; G356-V359 WeakPolarHBondContact O-CB 3.44Å; G356-V359 PolarHBondContact O-N 3.28Å; G356-V359 VanDerWaalsContact O-N 3.09Å
357	H	98.6	Very high	98.3	Very high	10 Å²	10	18.6 Å²	18.6	5%	0.046	10%	0.096	C	C	.	.	H	α-helix	trans	-63.1	-32.1	-179.1	77.2	-78.7	0	0	0	112.2	F350 A351 G353 E354 F355 V359 L360 L361 H393 V397	F350-H357 WeakPolarHBondContact O-CA 3.25Å; F350-H357 PolarHBondContact O-N 2.9Å; A351-H357 WeakPolarHBondContact O-CB 3.43Å; G353-H357 PolarHBondContact O-N 2.62Å; G353-H357 PolarHBondContact O-ND1 3.27Å; E354-H357 PolarHBondContact O-CE1 2.99Å; E354-H357 PolarHBondContact O-ND1 2.8Å; F355-H357 PolarHBondContact O-N 3.45Å; H357-V359 PolarHBondContact O-N 2.94Å; H357-L360 WeakPolarHBondContact O-CB 3.28Å; H357-L360 PolarHBondContact O-N 2.95Å; H357-L360 VanDerWaalsContact O-N 3.09Å; H357-L361 WeakPolarHBondContact O-CG 3.31Å; H357-L361 PolarHBondContact O-N 3.19Å; H357-H393 HydrophobicContact CB-CB 4.26Å; H357-H393 AromaticContact CE1-ND1 3.56Å; H357-H393 AromaticContact ND1-ND1 3.67Å; H357-V397 HydrophobicContact CB-CG2 3.7Å
358	L	98.7	Very high	98.3	Very high	6 Å²	6	20.5 Å²	20.5	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-63.3	-30.1	177.2	-59.6	177.9	0	0	0	112.4	M325 F355 G356 L360 L361 A362 I414	M325-L358 HydrophobicContact CE-CB 4.45Å; M325-L358 HydrophobicContact SD-CB 3.8Å; F355-L358 WeakPolarHBondContact O-CB 3.16Å; F355-L358 PolarHBondContact O-N 2.81Å; G356-L358 PolarHBondContact O-N 2.77Å; L358-L360 VanDerWaalsContact C-N 3.32Å; L358-L361 HydrophobicContact CD2-CD1 4.13Å; L358-L361 PolarHBondContact O-N 2.64Å; L358-A362 PolarHBondContact O-N 3.18Å; L358-I414 HydrophobicContact CD2-CG2 3.63Å
359	V	98.8	Very high	98.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.9	-37.4	175.7	-174.6	0	0	0	0	110.5	A315 A321 A324 M325 L328 M343 F350 G356 H357 L361 A362 I363	A315-V359 HydrophobicContact CB-CG2 4.1Å; A321-V359 HydrophobicContact CB-CG2 4Å; A324-V359 HydrophobicContact CB-CG1 3.96Å; A324-V359 HydrophobicContact CB-CG2 3.82Å; M325-V359 HydrophobicContact CG-CG2 4.49Å; L328-V359 HydrophobicContact CD1-CG1 3.63Å; M343-V359 HydrophobicContact CE-CG1 3.76Å; M343-V359 HydrophobicContact SD-CG1 4.35Å; F350-V359 HydrophobicContact CD1-CB 4.28Å; F350-V359 HydrophobicContact CE1-CB 4.44Å; F350-V359 HydrophobicContact CE1-CG1 4.41Å; G356-V359 WeakPolarHBondContact O-CB 3.44Å; G356-V359 PolarHBondContact O-N 3.28Å; G356-V359 VanDerWaalsContact O-N 3.09Å; H357-V359 PolarHBondContact O-N 2.94Å; V359-L361 VanDerWaalsContact C-N 3.35Å; V359-A362 PolarHBondContact O-N 2.85Å; V359-I363 WeakPolarHBondContact O-CG1 3.25Å; V359-I363 PolarHBondContact O-N 3.44Å
360	L	98.8	Very high	98.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.2	-37.7	174.5	-57.3	-175.1	0	0	0	111.6	M347 F350 A351 H357 L358 A362 I363 F364 V377 L381 V397	M347-L360 HydrophobicContact SD-CD2 4.03Å; F350-L360 HydrophobicContact CB-CD1 4.08Å; F350-L360 HydrophobicContact CB-CD2 4.12Å; F350-L360 HydrophobicContact CB-CG 4.08Å; A351-L360 HydrophobicContact CB-CD1 3.68Å; H357-L360 WeakPolarHBondContact O-CB 3.28Å; H357-L360 PolarHBondContact O-N 2.95Å; H357-L360 VanDerWaalsContact O-N 3.09Å; L358-L360 VanDerWaalsContact C-N 3.32Å; L360-A362 VanDerWaalsContact C-N 3.34Å; L360-I363 HydrophobicContact CD2-CD1 4.02Å; L360-I363 WeakPolarHBondContact O-CB 3.39Å; L360-I363 PolarHBondContact O-N 3.2Å; L360-F364 HydrophobicContact CB-CZ 4.44Å; L360-F364 WeakPolarHBondContact O-CD2 3.49Å; L360-F364 VanDerWaalsContact O-CG 3.24Å; L360-F364 WeakPolarHBondContact O-CG 3.23Å; L360-F364 PolarHBondContact O-N 3.2Å; L360-V377 HydrophobicContact CD2-CG1 4.14Å; L360-L381 HydrophobicContact CD1-CD1 4.22Å; L360-V397 HydrophobicContact CB-CG1 4.16Å; L360-V397 HydrophobicContact CD1-CG1 3.99Å; L360-V397 HydrophobicContact CD1-CG2 4.26Å
361	L	98.7	Very high	98.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.3	-43.7	174.7	-50.9	-168.7	0	0	0	111.1	H357 L358 V359 I363 F364 D365 V397 Y400 M410 L418	H357-L361 WeakPolarHBondContact O-CG 3.31Å; H357-L361 PolarHBondContact O-N 3.19Å; L358-L361 HydrophobicContact CD2-CD1 4.13Å; L358-L361 PolarHBondContact O-N 2.64Å; V359-L361 VanDerWaalsContact C-N 3.35Å; L361-I363 VanDerWaalsContact C-N 3.33Å; L361-I363 PolarHBondContact O-N 3.39Å; L361-F364 HydrophobicContact CD2-CD2 4.37Å; L361-F364 HydrophobicContact CD2-CE2 4.47Å; L361-F364 PolarHBondContact O-N 2.97Å; L361-D365 PolarHBondContact O-N 2.68Å; L361-V397 HydrophobicContact CD2-CG2 4.47Å; L361-Y400 HydrophobicContact CB-CD1 4.25Å; L361-Y400 HydrophobicContact CB-CE1 4.17Å; L361-Y400 HydrophobicContact CB-CE2 4.5Å; L361-Y400 HydrophobicContact CB-CG 4.44Å; L361-Y400 HydrophobicContact CD1-CD2 3.84Å; L361-Y400 HydrophobicContact CD1-CE2 4.16Å; L361-Y400 HydrophobicContact CD1-CG 4.19Å; L361-Y400 VanDerWaalsContact CD2-CB 3.49Å; L361-Y400 HydrophobicContact CD2-CD1 3.86Å; L361-Y400 HydrophobicContact CD2-CD2 4.1Å; L361-Y400 HydrophobicContact CD2-CG 3.56Å; L361-Y400 HydrophobicContact CG-CD1 4.49Å; L361-Y400 HydrophobicContact CG-CD2 4.37Å; L361-Y400 HydrophobicContact CG-CG 4.25Å; L361-M410 HydrophobicContact CD1-CE 3.35Å; L361-M410 HydrophobicContact CD1-SD 4.35Å; L361-L418 HydrophobicContact CB-CD1 4.44Å; L361-L418 HydrophobicContact CB-CD2 3.88Å; L361-L418 HydrophobicContact CD1-CD1 4.11Å
362	A	98.8	Very high	98.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.5	-37.2	174.4	0	0	0	0	0	112.7	M325 L328 W329 L358 V359 L360 F364 D365 C366	M325-A362 HydrophobicContact CB-CB 4.13Å; M325-A362 HydrophobicContact CG-CB 3.78Å; L328-A362 HydrophobicContact CD1-CB 4.27Å; W329-A362 HydrophobicContact CZ2-CB 4.37Å; L358-A362 PolarHBondContact O-N 3.18Å; V359-A362 PolarHBondContact O-N 2.85Å; L360-A362 VanDerWaalsContact C-N 3.34Å; A362-F364 VanDerWaalsContact C-N 3.34Å; A362-F364 PolarHBondContact O-N 2.63Å; A362-D365 PolarHBondContact O-N 3.29Å; A362-C366 PolarHBondContact O-N 3.07Å; A362-C366 PolarHBondContact O-SG 3.05Å
363	I	98.8	Very high	98.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.4	-47.4	172.6	-73.1	168	0	0	0	110.3	L328 I340 M343 V359 L360 L361 D365 C366 V367 V373 V377	L328-I363 HydrophobicContact CD1-CD1 4.37Å; L328-I363 HydrophobicContact CD1-CG1 3.6Å; L328-I363 HydrophobicContact CD2-CG1 3.97Å; L328-I363 HydrophobicContact CG-CG1 4.43Å; I340-I363 HydrophobicContact CD1-CG2 4.28Å; I340-I363 HydrophobicContact CG1-CD1 4.06Å; I340-I363 HydrophobicContact CG1-CG1 4.34Å; M343-I363 HydrophobicContact SD-CD1 4.18Å; V359-I363 WeakPolarHBondContact O-CG1 3.25Å; V359-I363 PolarHBondContact O-N 3.44Å; L360-I363 HydrophobicContact CD2-CD1 4.02Å; L360-I363 WeakPolarHBondContact O-CB 3.39Å; L360-I363 PolarHBondContact O-N 3.2Å; L361-I363 VanDerWaalsContact C-N 3.33Å; L361-I363 PolarHBondContact O-N 3.39Å; I363-D365 VanDerWaalsContact C-N 3.25Å; I363-D365 PolarHBondContact O-N 3.37Å; I363-C366 PolarHBondContact O-N 3.29Å; I363-V367 HydrophobicContact CB-CG2 4.42Å; I363-V367 HydrophobicContact CG2-CB 4.48Å; I363-V367 HydrophobicContact CG2-CG2 4.03Å; I363-V367 WeakPolarHBondContact O-CB 3.37Å; I363-V367 VanDerWaalsContact O-CG2 3.3Å; I363-V367 WeakPolarHBondContact O-CG2 3.35Å; I363-V367 PolarHBondContact O-N 3.01Å; I363-V367 VanDerWaalsContact O-N 3.11Å; I363-V373 HydrophobicContact CG2-CG1 4.1Å; I363-V373 HydrophobicContact CG2-CG2 3.87Å; I363-V377 HydrophobicContact CG2-CG2 4.4Å
364	F	98.7	Very high	98.4	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-63.1	-34.7	178.9	-56.3	-28.5	0	0	0	112.1	L360 L361 A362 V373 V377 L378 V397 Y400 L401 R434 L438	L360-F364 HydrophobicContact CB-CZ 4.44Å; L360-F364 WeakPolarHBondContact O-CD2 3.49Å; L360-F364 VanDerWaalsContact O-CG 3.24Å; L360-F364 WeakPolarHBondContact O-CG 3.23Å; L360-F364 PolarHBondContact O-N 3.2Å; L361-F364 HydrophobicContact CD2-CD2 4.37Å; L361-F364 HydrophobicContact CD2-CE2 4.47Å; L361-F364 PolarHBondContact O-N 2.97Å; A362-F364 VanDerWaalsContact C-N 3.34Å; A362-F364 PolarHBondContact O-N 2.63Å; F364-V373 HydrophobicContact CD1-CG1 3.93Å; F364-V373 HydrophobicContact CE1-CG1 3.92Å; F364-V377 HydrophobicContact CE1-CG1 4.06Å; F364-V377 HydrophobicContact CZ-CG1 4.35Å; F364-L378 HydrophobicContact CE1-CD2 3.85Å; F364-L378 HydrophobicContact CZ-CD2 3.93Å; F364-V397 HydrophobicContact CE2-CG1 3.62Å; F364-V397 HydrophobicContact CZ-CG1 3.89Å; F364-Y400 HydrophobicContact CD2-CD1 4.13Å; F364-L401 HydrophobicContact CD1-CD2 4.09Å; F364-L401 HydrophobicContact CD2-CD2 3.74Å; F364-L401 HydrophobicContact CD2-CG 4.08Å; F364-L401 HydrophobicContact CE1-CD2 4.06Å; F364-L401 HydrophobicContact CE2-CD1 4.09Å; F364-L401 HydrophobicContact CE2-CD2 3.69Å; F364-L401 HydrophobicContact CE2-CG 3.69Å; F364-L401 HydrophobicContact CG-CD2 3.94Å; F364-L401 HydrophobicContact CZ-CD1 4.04Å; F364-L401 HydrophobicContact CZ-CD2 3.87Å; F364-L401 HydrophobicContact CZ-CG 4.07Å; F364-R434 WeakPolarHBondContact O-CD 3.34Å; F364-L438 HydrophobicContact CB-CD1 3.88Å; F364-L438 HydrophobicContact CD1-CD1 3.97Å; F364-L438 HydrophobicContact CG-CD1 4.21Å
365	D	98.5	Very high	98.5	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.043	13%	0.133	C	C	.	.	H	α-helix	trans	-78.6	-24.7	-178.4	-83.9	-2.9	0	0	0	114.4	L361 A362 I363 Y400 R405 R434	L361-D365 PolarHBondContact O-N 2.68Å; A362-D365 PolarHBondContact O-N 3.29Å; I363-D365 VanDerWaalsContact C-N 3.25Å; I363-D365 PolarHBondContact O-N 3.37Å; D365-Y400 WeakPolarHBondContact OD1-CE1 3.49Å; D365-Y400 PolarHBondContact OD1-OH 3.37Å; D365-Y400 PolarHBondContact OD2-OH 3.48Å; D365-R405 IonicContact OD2-CZ 3.96Å; D365-R405 IonicContact OD2-NE 3.23Å; D365-R405 IonicContact OD2-NH2 2.6Å; D365-R405 PolarHBondContact OD2-NH2 3.32Å; D365-R434 PolarHBondContact O-NH1 3.19Å
366	C	98.3	Very high	98.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-123.5	-15.7	-172.3	77.7	0	0	0	0	116.4	L328 R336 A362 I363 D368 S427	L328-C366 PolarHBondContact O-SG 3.34Å; R336-C366 PolarHBondContact NH1-O 3.35Å; A362-C366 PolarHBondContact O-N 3.07Å; A362-C366 PolarHBondContact O-SG 3.05Å; I363-C366 PolarHBondContact O-N 3.29Å; C366-D368 PolarHBondContact O-N 3.22Å; C366-S427 VanDerWaalsContact CA-OG 3.32Å; C366-S427 WeakPolarHBondContact CA-OG 3.35Å; C366-S427 WeakPolarHBondContact CB-OG 3.24Å; C366-S427 PolarHBondContact O-OG 3.36Å
367	V	98.6	Very high	98.5	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.024	12%	0.123	C	C	.	.			trans	-89.4	113.1	-170.5	-178.2	0	0	0	0	112.1	R336 I340 I363 D369 V373 R434	R336-V367 HydrophobicContact CB-CG2 4.35Å; R336-V367 HydrophobicContact CG-CG2 4.44Å; I340-V367 HydrophobicContact CD1-CG1 3.98Å; I340-V367 HydrophobicContact CD1-CG2 3.95Å; I363-V367 HydrophobicContact CB-CG2 4.42Å; I363-V367 HydrophobicContact CG2-CB 4.48Å; I363-V367 HydrophobicContact CG2-CG2 4.03Å; I363-V367 WeakPolarHBondContact O-CB 3.37Å; I363-V367 VanDerWaalsContact O-CG2 3.3Å; I363-V367 WeakPolarHBondContact O-CG2 3.35Å; I363-V367 PolarHBondContact O-N 3.01Å; I363-V367 VanDerWaalsContact O-N 3.11Å; V367-D369 HydrophobicContact CG1-CB 4.48Å; V367-V373 HydrophobicContact CB-CG2 3.91Å; V367-V373 HydrophobicContact CG1-CG2 3.69Å; V367-R434 VanDerWaalsContact O-CD 3.28Å; V367-R434 WeakPolarHBondContact O-CD 3.41Å; V367-R434 PolarHBondContact O-NE 2.95Å
368	D	98.4	Very high	98.5	Very high	39 Å²	39	25.4 Å²	25.4	21%	0.209	12%	0.122	C	C	.	.	S	Bend	trans	-71.7	-32.8	-179.4	-70.2	-4	0	0	0	113.8	C366 T370 K428 K429 R434	C366-D368 PolarHBondContact O-N 3.22Å; D368-T370 PolarHBondContact O-N 3.05Å; D368-K428 PolarHBondContact OD2-N 2.96Å; D368-K429 HydrophobicContact CB-CB 4.11Å; D368-K429 WeakPolarHBondContact O-CE 3.45Å; D368-K429 PolarHBondContact O-NZ 2.77Å; D368-K429 WeakPolarHBondContact OD1-CB 3.49Å; D368-K429 PolarHBondContact OD1-N 2.89Å; D368-K429 PolarHBondContact OD2-N 3.21Å; D368-K429 VanDerWaalsContact OD2-N 3.08Å; D368-R434 IonicContact OD1-CZ 3.63Å; D368-R434 IonicContact OD1-NE 2.85Å; D368-R434 PolarHBondContact OD1-NE 3.27Å; D368-R434 IonicContact OD1-NH2 3.53Å; D368-R434 PolarHBondContact OD1-NH2 3.23Å
369	D	98.4	Very high	98.4	Very high	75 Å²	75	27.8 Å²	27.8	40%	0.401	14%	0.139	S	C	.	.			trans	-74.8	73	174.5	-171.3	-8.2	0	0	0	109.9	V367 K371 L372 V373	V367-D369 HydrophobicContact CG1-CB 4.48Å; D369-K371 PolarHBondContact O-N 2.78Å; D369-K371 PolarHBondContact OD1-N 3.32Å; D369-L372 HydrophobicContact CB-CB 4.17Å; D369-L372 WeakPolarHBondContact O-CB 3.42Å; D369-L372 PolarHBondContact O-N 3.03Å; D369-L372 VanDerWaalsContact O-N 3.16Å; D369-L372 PolarHBondContact OD1-N 3Å; D369-V373 PolarHBondContact O-N 3.42Å
370	T	98.3	Very high	98.4	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.043	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-23.1	178.3	55.2	0	0	0	0	111.9	D368 V373 K374 R434 E437 L438	D368-T370 PolarHBondContact O-N 3.05Å; T370-V373 PolarHBondContact O-N 2.91Å; T370-K374 WeakPolarHBondContact O-CB 3.41Å; T370-K374 WeakPolarHBondContact O-CG 3.24Å; T370-K374 PolarHBondContact O-N 3.22Å; T370-R434 HydrophobicContact CG2-CG 3.81Å; T370-E437 VanDerWaalsContact CB-OE2 3.25Å; T370-E437 WeakPolarHBondContact CB-OE2 3.43Å; T370-E437 HydrophobicContact CG2-CB 4.26Å; T370-E437 WeakPolarHBondContact CG2-OE2 3.44Å; T370-E437 PolarHBondContact OG1-OE2 3.16Å; T370-L438 HydrophobicContact CG2-CD2 4.04Å; T370-L438 HydrophobicContact CG2-CG 4.21Å
371	K	98.4	Very high	98.3	Very high	155 Å²	155	29.3 Å²	29.3	67%	0.674	15%	0.146	S	C	*	.	H	α-helix	trans	-62.7	-44.7	171.9	-69.4	-176.5	179.8	179.5	0	110.6	D369 K374 Q375	D369-K371 PolarHBondContact O-N 2.78Å; D369-K371 PolarHBondContact OD1-N 3.32Å; K371-K374 PolarHBondContact O-N 2.97Å; K371-Q375 WeakPolarHBondContact O-CB 3.38Å; K371-Q375 VanDerWaalsContact O-CG 3.3Å; K371-Q375 WeakPolarHBondContact O-CG 3.23Å; K371-Q375 PolarHBondContact O-N 3.41Å
372	L	98.5	Very high	98.2	Very high	18 Å²	18	30.7 Å²	30.7	9%	0.094	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-45.8	172.5	175.4	66.5	0	0	0	111.5	K337 I340 D369 K374 Q375 A376	K337-L372 HydrophobicContact CB-CD2 3.99Å; K337-L372 HydrophobicContact CG-CD2 3.92Å; I340-L372 HydrophobicContact CB-CD2 4.34Å; I340-L372 HydrophobicContact CD1-CD2 3.92Å; I340-L372 HydrophobicContact CG2-CD1 4.48Å; I340-L372 HydrophobicContact CG2-CD2 4.34Å; I340-L372 HydrophobicContact CG2-CG 4.2Å; D369-L372 HydrophobicContact CB-CB 4.17Å; D369-L372 WeakPolarHBondContact O-CB 3.42Å; D369-L372 PolarHBondContact O-N 3.03Å; D369-L372 VanDerWaalsContact O-N 3.16Å; D369-L372 PolarHBondContact OD1-N 3Å; L372-K374 PolarHBondContact O-N 3.2Å; L372-Q375 PolarHBondContact O-N 2.84Å; L372-A376 HydrophobicContact CD1-CB 4.11Å; L372-A376 VanDerWaalsContact O-CB 3.29Å; L372-A376 WeakPolarHBondContact O-CB 3.09Å; L372-A376 PolarHBondContact O-N 3.42Å
373	V	98.7	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-44.9	179.3	-178.7	0	0	0	0	111	I363 F364 V367 D369 T370 Q375 V377 L378 L438	I363-V373 HydrophobicContact CG2-CG1 4.1Å; I363-V373 HydrophobicContact CG2-CG2 3.87Å; F364-V373 HydrophobicContact CD1-CG1 3.93Å; F364-V373 HydrophobicContact CE1-CG1 3.92Å; V367-V373 HydrophobicContact CB-CG2 3.91Å; V367-V373 HydrophobicContact CG1-CG2 3.69Å; D369-V373 PolarHBondContact O-N 3.42Å; T370-V373 PolarHBondContact O-N 2.91Å; V373-Q375 PolarHBondContact O-N 3.31Å; V373-V377 HydrophobicContact CG1-CB 4.12Å; V373-V377 HydrophobicContact CG1-CG2 4.18Å; V373-V377 WeakPolarHBondContact O-CA 3.39Å; V373-V377 VanDerWaalsContact O-CB 3.23Å; V373-V377 WeakPolarHBondContact O-CB 3.37Å; V373-V377 PolarHBondContact O-N 3.43Å; V373-L378 HydrophobicContact CG1-CG 4.49Å; V373-L378 PolarHBondContact O-N 3.05Å; V373-L438 HydrophobicContact CB-CD2 3.87Å; V373-L438 HydrophobicContact CG1-CD2 3.61Å
374	K	98.4	Very high	98	Very high	62 Å²	62	37.3 Å²	37.3	27%	0.27	20%	0.197	S	C	.	.	I	π-helix	trans	-57.3	-48.6	175.4	-70.9	171	-171.8	-160.1	0	111.6	T370 K371 L372 L378 S379 E437 A441	T370-K374 WeakPolarHBondContact O-CB 3.41Å; T370-K374 WeakPolarHBondContact O-CG 3.24Å; T370-K374 PolarHBondContact O-N 3.22Å; K371-K374 PolarHBondContact O-N 2.97Å; L372-K374 PolarHBondContact O-N 3.2Å; K374-L378 HydrophobicContact CG-CD1 4.23Å; K374-S379 PolarHBondContact O-N 3.12Å; K374-E437 WeakPolarHBondContact CE-O 3.39Å; K374-E437 PolarHBondContact NZ-O 2.99Å; K374-A441 HydrophobicContact CD-CB 3.78Å; K374-A441 HydrophobicContact CG-CB 3.65Å
375	Q	97.6	Very high	97.8	Very high	143 Å²	143	37.5 Å²	37.5	67%	0.668	20%	0.199	S	C	*	.	I	π-helix	trans	-77.4	-34	-173.9	-71.7	178	-7.8	0	0	114.6	K371 L372 V373 S379	K371-Q375 WeakPolarHBondContact O-CB 3.38Å; K371-Q375 VanDerWaalsContact O-CG 3.3Å; K371-Q375 WeakPolarHBondContact O-CG 3.23Å; K371-Q375 PolarHBondContact O-N 3.41Å; L372-Q375 PolarHBondContact O-N 2.84Å; V373-Q375 PolarHBondContact O-N 3.31Å; Q375-S379 PolarHBondContact O-OG 3.31Å
376	A	97.4	Very high	97.6	Very high	7 Å²	7	41.2 Å²	41.2	6%	0.058	22%	0.223	C	C	.	.	I	π-helix	trans	-102.7	-28.6	-173.9	0	0	0	0	0	113.4	I340 M347 L372	I340-A376 HydrophobicContact CG2-CB 3.85Å; M347-A376 WeakPolarHBondContact CE-O 3.45Å; M347-A376 WeakPolarHBondContact CG-O 3.36Å; L372-A376 HydrophobicContact CD1-CB 4.11Å; L372-A376 VanDerWaalsContact O-CB 3.29Å; L372-A376 WeakPolarHBondContact O-CB 3.09Å; L372-A376 PolarHBondContact O-N 3.42Å
377	V	98.4	Very high	97.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	I	π-helix	trans	-105.4	-63.4	-177.4	-171.8	0	0	0	0	110.1	I340 M347 L360 I363 F364 V373 S379 E380 L381	I340-V377 HydrophobicContact CG2-CG2 4.08Å; M347-V377 HydrophobicContact CE-CG2 3.8Å; M347-V377 HydrophobicContact SD-CB 4.33Å; M347-V377 HydrophobicContact SD-CG1 4.1Å; M347-V377 HydrophobicContact SD-CG2 4Å; L360-V377 HydrophobicContact CD2-CG1 4.14Å; I363-V377 HydrophobicContact CG2-CG2 4.4Å; F364-V377 HydrophobicContact CE1-CG1 4.06Å; F364-V377 HydrophobicContact CZ-CG1 4.35Å; V373-V377 HydrophobicContact CG1-CB 4.12Å; V373-V377 HydrophobicContact CG1-CG2 4.18Å; V373-V377 WeakPolarHBondContact O-CA 3.39Å; V373-V377 VanDerWaalsContact O-CB 3.23Å; V373-V377 WeakPolarHBondContact O-CB 3.37Å; V373-V377 PolarHBondContact O-N 3.43Å; V377-S379 PolarHBondContact O-N 3.17Å; V377-E380 PolarHBondContact O-N 2.92Å; V377-L381 HydrophobicContact CG1-CD1 4.04Å; V377-L381 WeakPolarHBondContact O-CG 3.34Å; V377-L381 PolarHBondContact O-N 3.19Å
378	L	98.4	Very high	97.3	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	25%	0.248	C	C	.	.	I	π-helix	trans	-66.8	-39.8	-170.9	-57.7	-174.4	0	0	0	112.2	F364 V373 K374 E380 L381 L382 L401 L438 A441	F364-L378 HydrophobicContact CE1-CD2 3.85Å; F364-L378 HydrophobicContact CZ-CD2 3.93Å; V373-L378 HydrophobicContact CG1-CG 4.49Å; V373-L378 PolarHBondContact O-N 3.05Å; K374-L378 HydrophobicContact CG-CD1 4.23Å; L378-E380 VanDerWaalsContact C-N 3.27Å; L378-E380 PolarHBondContact O-N 3.42Å; L378-L381 PolarHBondContact O-N 2.89Å; L378-L382 HydrophobicContact CB-CD1 4.03Å; L378-L382 VanDerWaalsContact O-CB 3.25Å; L378-L382 WeakPolarHBondContact O-CB 3.24Å; L378-L382 WeakPolarHBondContact O-CG 3.4Å; L378-L382 PolarHBondContact O-N 2.64Å; L378-L401 HydrophobicContact CD2-CD1 3.64Å; L378-L401 HydrophobicContact CD2-CD2 4.3Å; L378-L438 HydrophobicContact CD1-CD2 4.29Å; L378-A441 HydrophobicContact CD1-CB 4Å
379	S	97.7	Very high	97	Very high	56 Å²	56	46 Å²	46	39%	0.392	25%	0.245	S	C	.	.	H	α-helix	trans	-54.3	-41.5	176.9	66.2	0	0	0	0	113	K374 Q375 V377 S383	K374-S379 PolarHBondContact O-N 3.12Å; Q375-S379 PolarHBondContact O-OG 3.31Å; V377-S379 PolarHBondContact O-N 3.17Å; S379-S383 VanDerWaalsContact O-CB 3.32Å; S379-S383 WeakPolarHBondContact O-CB 3.21Å; S379-S383 PolarHBondContact O-N 3.39Å; S379-S383 PolarHBondContact O-OG 3.18Å
380	E	97.6	Very high	96.7	Very high	32 Å²	32	45.8 Å²	45.8	15%	0.15	26%	0.261	C	S	.	.	H	α-helix	trans	-70.4	-49.1	177.4	-70.1	-173.2	-153.7	0	0	111.2	K344 T345 M347 V377 L378 L382 S383	K344-E380 WeakPolarHBondContact CG-OE1 3.37Å; T345-E380 VanDerWaalsContact CA-OE2 3.26Å; T345-E380 WeakPolarHBondContact CA-OE2 3.28Å; T345-E380 VanDerWaalsContact N-CD 3.33Å; T345-E380 PolarHBondContact N-OE1 3.11Å; T345-E380 PolarHBondContact N-OE2 3.47Å; T345-E380 VanDerWaalsContact N-OE2 3.12Å; M347-E380 HydrophobicContact CB-CB 3.93Å; M347-E380 WeakPolarHBondContact CB-OE2 3.26Å; M347-E380 HydrophobicContact CG-CB 4.29Å; M347-E380 HydrophobicContact CG-CG 4.48Å; M347-E380 WeakPolarHBondContact CG-OE2 3.3Å; M347-E380 PolarHBondContact N-OE2 3.47Å; V377-E380 PolarHBondContact O-N 2.92Å; L378-E380 VanDerWaalsContact C-N 3.27Å; L378-E380 PolarHBondContact O-N 3.42Å; E380-L382 PolarHBondContact O-N 2.99Å; E380-S383 PolarHBondContact O-N 3.3Å; E380-S383 PolarHBondContact O-OG 2.86Å
381	L	98.2	Very high	96.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-43.2	-179.7	-60.5	-178.2	0	0	0	112.6	M347 V348 A351 L360 V377 L378 S383 V384 L385 V388 V397	M347-L381 HydrophobicContact CB-CD2 4.08Å; M347-L381 HydrophobicContact CB-CG 4.5Å; V348-L381 HydrophobicContact CG2-CD2 4.48Å; A351-L381 HydrophobicContact CB-CD2 3.6Å; L360-L381 HydrophobicContact CD1-CD1 4.22Å; V377-L381 HydrophobicContact CG1-CD1 4.04Å; V377-L381 WeakPolarHBondContact O-CG 3.34Å; V377-L381 PolarHBondContact O-N 3.19Å; L378-L381 PolarHBondContact O-N 2.89Å; L381-S383 VanDerWaalsContact C-N 3.31Å; L381-S383 PolarHBondContact O-N 3.09Å; L381-V384 CarbonylContact O-C 3.14Å; L381-V384 PolarHBondContact O-N 2.99Å; L381-L385 PolarHBondContact O-N 3.18Å; L381-V388 HydrophobicContact CD2-CG2 4.45Å; L381-V397 HydrophobicContact CD1-CG1 3.89Å
382	L	96.9	Very high	96.3	Very high	29 Å²	29	47.2 Å²	47.2	15%	0.152	27%	0.269	C	S	.	.	H	α-helix	trans	-74.9	-23.6	-176.2	-61.3	174	0	0	0	111.8	L378 E380 V384 L385 L398 P445	L378-L382 HydrophobicContact CB-CD1 4.03Å; L378-L382 VanDerWaalsContact O-CB 3.25Å; L378-L382 WeakPolarHBondContact O-CB 3.24Å; L378-L382 WeakPolarHBondContact O-CG 3.4Å; L378-L382 PolarHBondContact O-N 2.64Å; E380-L382 PolarHBondContact O-N 2.99Å; L382-V384 PolarHBondContact O-N 3.44Å; L382-L385 HydrophobicContact CD2-CD1 4.37Å; L382-L385 HydrophobicContact CD2-CD2 3.69Å; L382-L385 HydrophobicContact CD2-CG 4.21Å; L382-L385 WeakPolarHBondContact O-CG 3.47Å; L382-L398 HydrophobicContact CD2-CD2 4.36Å; L382-P445 HydrophobicContact CB-CB 4.38Å; L382-P445 HydrophobicContact CD1-CB 4.41Å; L382-P445 HydrophobicContact CD1-CG 4.08Å; L382-P445 HydrophobicContact CD2-CB 4.33Å
383	S	96.3	Very high	96.2	Very high	92 Å²	92	47.7 Å²	47.7	64%	0.643	27%	0.27	S	S	*	.	H	α-helix	trans	-67.6	-21.5	174.8	72.7	0	0	0	0	113.7	S379 E380 L381	S379-S383 VanDerWaalsContact O-CB 3.32Å; S379-S383 WeakPolarHBondContact O-CB 3.21Å; S379-S383 PolarHBondContact O-N 3.39Å; S379-S383 PolarHBondContact O-OG 3.18Å; E380-S383 PolarHBondContact O-N 3.3Å; E380-S383 PolarHBondContact O-OG 2.86Å; L381-S383 VanDerWaalsContact C-N 3.31Å; L381-S383 PolarHBondContact O-N 3.09Å
384	V	96.2	Very high	96.1	Very high	47 Å²	47	47.7 Å²	47.7	29%	0.285	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	41.8	179.5	-67.2	0	0	0	0	112.2	V348 L381 L382 P386 E387 V388	V348-V384 HydrophobicContact CB-CG2 4.4Å; V348-V384 HydrophobicContact CG1-CG2 4.07Å; V348-V384 HydrophobicContact CG2-CG2 3.41Å; V348-V384 VanDerWaalsContact CG2-CG2 3.41Å; L381-V384 CarbonylContact O-C 3.14Å; L381-V384 PolarHBondContact O-N 2.99Å; L382-V384 PolarHBondContact O-N 3.44Å; V384-P386 VanDerWaalsContact C-N 3.34Å; V384-E387 HydrophobicContact CB-CB 4.43Å; V384-E387 PolarHBondContact O-N 3.49Å; V384-V388 HydrophobicContact CG2-CG2 4.16Å; V384-V388 PolarHBondContact O-N 3.25Å
385	L	94.6	Very high	95.9	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.052	27%	0.27	C	S	.	.	H	α-helix	trans	-44.6	-45.7	179.4	-84.7	174.6	0	0	0	115.2	L381 L382 E387 V388 L389 L398 P445 L446 H449	L381-L385 PolarHBondContact O-N 3.18Å; L382-L385 HydrophobicContact CD2-CD1 4.37Å; L382-L385 HydrophobicContact CD2-CD2 3.69Å; L382-L385 HydrophobicContact CD2-CG 4.21Å; L382-L385 WeakPolarHBondContact O-CG 3.47Å; L385-E387 VanDerWaalsContact C-N 3.3Å; L385-E387 PolarHBondContact O-N 3.04Å; L385-V388 PolarHBondContact O-N 3.21Å; L385-L389 WeakPolarHBondContact O-CB 3.34Å; L385-L389 PolarHBondContact O-N 3.28Å; L385-L398 HydrophobicContact CD2-CD1 3.7Å; L385-L398 HydrophobicContact CD2-CD2 4.36Å; L385-P445 HydrophobicContact CD1-CB 4.03Å; L385-P445 WeakPolarHBondContact CD1-O 3.02Å; L385-L446 HydrophobicContact CD1-CD2 4.49Å; L385-L446 HydrophobicContact CD2-CD2 3.76Å; L385-H449 HydrophobicContact CD1-CB 3.89Å
386	P	93.4	Very high	95.9	Very high	86 Å²	86	43.2 Å²	43.2	56%	0.558	25%	0.249	S	C	*	.	H	α-helix	trans	-60	-39.2	-179.3	-22	31.4	0	0	0	113.1	V384 G390	V384-P386 VanDerWaalsContact C-N 3.34Å; P386-G390 PolarHBondContact O-N 3.02Å
387	E	94.6	Very high	95.9	Very high	117 Å²	117	42.9 Å²	42.9	55%	0.547	25%	0.246	S	C	.	.	H	α-helix	trans	-68.1	-43.5	177.9	-175.8	-177.2	158.9	0	0	110.9	V384 L385 N391	V384-E387 HydrophobicContact CB-CB 4.43Å; V384-E387 PolarHBondContact O-N 3.49Å; L385-E387 VanDerWaalsContact C-N 3.3Å; L385-E387 PolarHBondContact O-N 3.04Å; E387-N391 WeakPolarHBondContact O-CB 3.28Å; E387-N391 PolarHBondContact O-N 3.31Å
388	V	96.3	Very high	95.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.2	-47.4	-178.3	-179.3	0	0	0	0	111	V348 A351 L381 V384 L385 N391 G394 K395 L398	V348-V388 HydrophobicContact CG1-CG2 4.34Å; A351-V388 HydrophobicContact CB-CG1 4.47Å; L381-V388 HydrophobicContact CD2-CG2 4.45Å; V384-V388 HydrophobicContact CG2-CG2 4.16Å; V384-V388 PolarHBondContact O-N 3.25Å; L385-V388 PolarHBondContact O-N 3.21Å; V388-N391 PolarHBondContact O-N 2.87Å; V388-G394 WeakPolarHBondContact CG1-O 3.49Å; V388-G394 CarbonylContact O-C 3.58Å; V388-G394 VanDerWaalsContact O-CA 3.26Å; V388-G394 WeakPolarHBondContact O-CA 3.32Å; V388-K395 PolarHBondContact O-N 2.92Å; V388-L398 HydrophobicContact CB-CD1 4.26Å; V388-L398 HydrophobicContact CG1-CD1 3.71Å; V388-L398 HydrophobicContact CG1-CG 3.97Å
389	L	93.1	Very high	95.6	Very high	26 Å²	26	43.2 Å²	43.2	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-66.7	-36.3	177.8	-76.1	171.6	0	0	0	112.5	L385 N391 L398 H449 T466	L385-L389 WeakPolarHBondContact O-CB 3.34Å; L385-L389 PolarHBondContact O-N 3.28Å; L389-N391 PolarHBondContact O-N 3.44Å; L389-L398 HydrophobicContact CD1-CD1 4.48Å; L389-L398 HydrophobicContact CD2-CB 4.44Å; L389-L398 HydrophobicContact CD2-CD1 3.48Å; L389-L398 VanDerWaalsContact CD2-CD1 3.48Å; L389-L398 HydrophobicContact CG-CD1 3.58Å; L389-H449 VanDerWaalsContact CD1-CD2 3.48Å; L389-H449 WeakPolarHBondContact CD1-CD2 3.4Å; L389-T466 HydrophobicContact CD2-CG2 3.87Å
390	G	92.5	Very high	95.6	Very high	72 Å²	72	40.9 Å²	40.9	74%	0.742	23%	0.23	S	C	*	.	H	α-helix	trans	-69.7	-11.8	176.2	0	0	0	0	0	114	P386	P386-G390 PolarHBondContact O-N 3.02Å
391	N	95	Very high	95.6	Very high	47 Å²	47	39.9 Å²	39.9	25%	0.251	23%	0.226	S	C	.	.	S	Bend	trans	-95.8	137.9	-179.8	-174.4	-78.2	0	0	0	112.6	T352 E387 V388 L389 H393 G394 K395	T352-N391 WeakPolarHBondContact CA-OD1 3.38Å; T352-N391 WeakPolarHBondContact CB-ND2 3.32Å; T352-N391 HydrophobicContact CG2-CB 3.77Å; T352-N391 PolarHBondContact O-OD1 2.97Å; E387-N391 WeakPolarHBondContact O-CB 3.28Å; E387-N391 PolarHBondContact O-N 3.31Å; V388-N391 PolarHBondContact O-N 2.87Å; L389-N391 PolarHBondContact O-N 3.44Å; N391-H393 VanDerWaalsContact C-N 3.27Å; N391-H393 PolarHBondContact O-N 3.43Å; N391-H393 PolarHBondContact OD1-N 3.31Å; N391-G394 PolarHBondContact O-N 3.11Å; N391-G394 PolarHBondContact OD1-N 3.48Å; N391-K395 WeakPolarHBondContact O-CG 2.74Å; N391-K395 PolarHBondContact O-N 3.38Å
392	K	93.4	Very high	95.5	Very high	145 Å²	145	40.3 Å²	40.3	63%	0.63	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-39.3	178.9	-179.4	-174.2	174.9	-169.9	0	114
393	H	96.3	Very high	95.4	Very high	28 Å²	28	39.8 Å²	39.8	13%	0.13	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-38.5	-180	-60.9	-74.3	0	0	0	111.5	A351 H357 N391 K395 K396 V397	A351-H393 CarbonylContact O-C 3.34Å; A351-H393 WeakPolarHBondContact O-CB 3.48Å; H357-H393 HydrophobicContact CB-CB 4.26Å; H357-H393 AromaticContact CE1-ND1 3.56Å; H357-H393 AromaticContact ND1-ND1 3.67Å; N391-H393 VanDerWaalsContact C-N 3.27Å; N391-H393 PolarHBondContact O-N 3.43Å; N391-H393 PolarHBondContact OD1-N 3.31Å; H393-K395 VanDerWaalsContact C-N 3.31Å; H393-K395 PolarHBondContact O-N 2.89Å; H393-K396 VanDerWaalsContact O-CB 3.31Å; H393-K396 WeakPolarHBondContact O-CB 3.45Å; H393-K396 PolarHBondContact O-N 3.29Å; H393-V397 PolarHBondContact O-N 3.5Å
394	G	96.5	Very high	95.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.4	-43.8	179.5	0	0	0	0	0	112.4	A351 V388 N391 K396 V397 L398	A351-G394 VanDerWaalsContact O-CA 3.23Å; A351-G394 WeakPolarHBondContact O-CA 3.29Å; A351-G394 PolarHBondContact O-N 3.42Å; V388-G394 WeakPolarHBondContact CG1-O 3.49Å; V388-G394 CarbonylContact O-C 3.58Å; V388-G394 VanDerWaalsContact O-CA 3.26Å; V388-G394 WeakPolarHBondContact O-CA 3.32Å; N391-G394 PolarHBondContact O-N 3.11Å; N391-G394 PolarHBondContact OD1-N 3.48Å; G394-K396 PolarHBondContact O-N 3.05Å; G394-V397 WeakPolarHBondContact O-CB 3.38Å; G394-V397 PolarHBondContact O-N 3.44Å; G394-L398 PolarHBondContact O-N 2.89Å
395	K	94.5	Very high	95.3	Very high	59 Å²	59	36.7 Å²	36.7	26%	0.257	20%	0.201	S	C	.	.	H	α-helix	trans	-58.5	-33.8	175.4	73.8	-178.5	-171.7	167.9	0	113.2	V388 N391 H393 V397 L398 L399	V388-K395 PolarHBondContact O-N 2.92Å; N391-K395 WeakPolarHBondContact O-CG 2.74Å; N391-K395 PolarHBondContact O-N 3.38Å; H393-K395 VanDerWaalsContact C-N 3.31Å; H393-K395 PolarHBondContact O-N 2.89Å; K395-V397 VanDerWaalsContact C-N 3.29Å; K395-V397 PolarHBondContact O-N 3.37Å; K395-L398 PolarHBondContact O-N 3.18Å; K395-L399 WeakPolarHBondContact O-CB 3.43Å; K395-L399 VanDerWaalsContact O-CG 3.25Å; K395-L399 WeakPolarHBondContact O-CG 3.48Å; K395-L399 PolarHBondContact O-N 3.35Å
396	K	95.8	Very high	95.2	Very high	51 Å²	51	38 Å²	38	22%	0.222	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-33.4	178.2	-62.6	-171.8	172.5	-157.8	0	111.9	H393 G394 Y400 M410	H393-K396 VanDerWaalsContact O-CB 3.31Å; H393-K396 WeakPolarHBondContact O-CB 3.45Å; H393-K396 PolarHBondContact O-N 3.29Å; G394-K396 PolarHBondContact O-N 3.05Å; K396-Y400 VanDerWaalsContact O-CB 3.28Å; K396-Y400 WeakPolarHBondContact O-CB 3.33Å; K396-Y400 PolarHBondContact O-N 3.13Å; K396-M410 HydrophobicContact CD-SD 4.39Å
397	V	97.8	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-44.1	176.2	-177.4	0	0	0	0	110.7	A351 H357 L360 L361 F364 L381 H393 G394 K395 Y400 L401	A351-V397 HydrophobicContact CB-CB 4.48Å; A351-V397 HydrophobicContact CB-CG2 3.95Å; H357-V397 HydrophobicContact CB-CG2 3.7Å; L360-V397 HydrophobicContact CB-CG1 4.16Å; L360-V397 HydrophobicContact CD1-CG1 3.99Å; L360-V397 HydrophobicContact CD1-CG2 4.26Å; L361-V397 HydrophobicContact CD2-CG2 4.47Å; F364-V397 HydrophobicContact CE2-CG1 3.62Å; F364-V397 HydrophobicContact CZ-CG1 3.89Å; L381-V397 HydrophobicContact CD1-CG1 3.89Å; H393-V397 PolarHBondContact O-N 3.5Å; G394-V397 WeakPolarHBondContact O-CB 3.38Å; G394-V397 PolarHBondContact O-N 3.44Å; K395-V397 VanDerWaalsContact C-N 3.29Å; K395-V397 PolarHBondContact O-N 3.37Å; V397-Y400 PolarHBondContact O-N 3.01Å; V397-L401 PolarHBondContact O-N 3.49Å
398	L	96.2	Very high	94.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-72.3	-41.9	178.7	-62.4	175.9	0	0	0	111.9	L382 L385 V388 L389 G394 K395 Y400 L401 L402 L446	L382-L398 HydrophobicContact CD2-CD2 4.36Å; L385-L398 HydrophobicContact CD2-CD1 3.7Å; L385-L398 HydrophobicContact CD2-CD2 4.36Å; V388-L398 HydrophobicContact CB-CD1 4.26Å; V388-L398 HydrophobicContact CG1-CD1 3.71Å; V388-L398 HydrophobicContact CG1-CG 3.97Å; L389-L398 HydrophobicContact CD1-CD1 4.48Å; L389-L398 HydrophobicContact CD2-CB 4.44Å; L389-L398 HydrophobicContact CD2-CD1 3.48Å; L389-L398 VanDerWaalsContact CD2-CD1 3.48Å; L389-L398 HydrophobicContact CG-CD1 3.58Å; G394-L398 PolarHBondContact O-N 2.89Å; K395-L398 PolarHBondContact O-N 3.18Å; L398-Y400 PolarHBondContact O-N 3.01Å; L398-L401 HydrophobicContact CD2-CD1 4.26Å; L398-L401 WeakPolarHBondContact O-CB 3.44Å; L398-L401 PolarHBondContact O-N 2.81Å; L398-L401 VanDerWaalsContact O-N 3.08Å; L398-L402 PolarHBondContact O-N 3.08Å; L398-L446 HydrophobicContact CD1-CD2 4.26Å
399	L	95.6	Very high	94.6	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-31.1	173.7	-70.8	169.8	0	0	0	112.2	K395 L401 L402 S403 H409 T466 D469	K395-L399 WeakPolarHBondContact O-CB 3.43Å; K395-L399 VanDerWaalsContact O-CG 3.25Å; K395-L399 WeakPolarHBondContact O-CG 3.48Å; K395-L399 PolarHBondContact O-N 3.35Å; L399-L401 VanDerWaalsContact C-N 3.34Å; L399-L402 HydrophobicContact CD2-CD1 4.49Å; L399-L402 PolarHBondContact O-N 2.64Å; L399-S403 CarbonylContact O-C 3.54Å; L399-S403 WeakPolarHBondContact O-CA 3.26Å; L399-S403 PolarHBondContact O-N 3.32Å; L399-H409 HydrophobicContact CD1-CB 4.36Å; L399-T466 HydrophobicContact CD2-CG2 4.11Å; L399-D469 HydrophobicContact CD2-CB 3.69Å
400	Y	97.8	Very high	94.6	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-71.3	-28.3	175.2	-161.6	-91.4	0	0	0	113.1	L361 F364 D365 K396 V397 L398 P404 R405 M410 L418	L361-Y400 HydrophobicContact CB-CD1 4.25Å; L361-Y400 HydrophobicContact CB-CE1 4.17Å; L361-Y400 HydrophobicContact CB-CE2 4.5Å; L361-Y400 HydrophobicContact CB-CG 4.44Å; L361-Y400 HydrophobicContact CD1-CD2 3.84Å; L361-Y400 HydrophobicContact CD1-CE2 4.16Å; L361-Y400 HydrophobicContact CD1-CG 4.19Å; L361-Y400 VanDerWaalsContact CD2-CB 3.49Å; L361-Y400 HydrophobicContact CD2-CD1 3.86Å; L361-Y400 HydrophobicContact CD2-CD2 4.1Å; L361-Y400 HydrophobicContact CD2-CG 3.56Å; L361-Y400 HydrophobicContact CG-CD1 4.49Å; L361-Y400 HydrophobicContact CG-CD2 4.37Å; L361-Y400 HydrophobicContact CG-CG 4.25Å; F364-Y400 HydrophobicContact CD2-CD1 4.13Å; D365-Y400 WeakPolarHBondContact OD1-CE1 3.49Å; D365-Y400 PolarHBondContact OD1-OH 3.37Å; D365-Y400 PolarHBondContact OD2-OH 3.48Å; K396-Y400 VanDerWaalsContact O-CB 3.28Å; K396-Y400 WeakPolarHBondContact O-CB 3.33Å; K396-Y400 PolarHBondContact O-N 3.13Å; V397-Y400 PolarHBondContact O-N 3.01Å; L398-Y400 PolarHBondContact O-N 3.01Å; Y400-P404 HydrophobicContact CD1-CB 4.21Å; Y400-P404 HydrophobicContact CE1-CB 4.03Å; Y400-P404 HydrophobicContact CE2-CB 4.46Å; Y400-P404 VanDerWaalsContact O-CA 3.24Å; Y400-P404 WeakPolarHBondContact O-CA 3.3Å; Y400-P404 WeakPolarHBondContact O-CB 3.4Å; Y400-P404 WeakPolarHBondContact O-CD 3.4Å; Y400-R405 HydrophobicContact CE2-CG 3.76Å; Y400-R405 VanDerWaalsContact CE2-N 3.31Å; Y400-R405 VanDerWaalsContact OH-CG 3.27Å; Y400-R405 WeakPolarHBondContact OH-CG 3.42Å; Y400-R405 PolarHBondContact OH-NE 3.04Å; Y400-M410 HydrophobicContact CD2-CE 4.25Å; Y400-M410 HydrophobicContact CE2-CE 4.33Å; Y400-L418 HydrophobicContact CE2-CD1 3.77Å
401	L	97.4	Very high	94.7	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.063	21%	0.214	C	C	.	.	H	α-helix	trans	-71.1	-37	172.8	-70.6	165.6	0	0	0	111.6	F364 L378 V397 L398 L399 L438 A442	F364-L401 HydrophobicContact CD1-CD2 4.09Å; F364-L401 HydrophobicContact CD2-CD2 3.74Å; F364-L401 HydrophobicContact CD2-CG 4.08Å; F364-L401 HydrophobicContact CE1-CD2 4.06Å; F364-L401 HydrophobicContact CE2-CD1 4.09Å; F364-L401 HydrophobicContact CE2-CD2 3.69Å; F364-L401 HydrophobicContact CE2-CG 3.69Å; F364-L401 HydrophobicContact CG-CD2 3.94Å; F364-L401 HydrophobicContact CZ-CD1 4.04Å; F364-L401 HydrophobicContact CZ-CD2 3.87Å; F364-L401 HydrophobicContact CZ-CG 4.07Å; L378-L401 HydrophobicContact CD2-CD1 3.64Å; L378-L401 HydrophobicContact CD2-CD2 4.3Å; V397-L401 PolarHBondContact O-N 3.49Å; L398-L401 HydrophobicContact CD2-CD1 4.26Å; L398-L401 WeakPolarHBondContact O-CB 3.44Å; L398-L401 PolarHBondContact O-N 2.81Å; L398-L401 VanDerWaalsContact O-N 3.08Å; L399-L401 VanDerWaalsContact C-N 3.34Å; L401-L438 HydrophobicContact CD2-CB 3.98Å; L401-L438 HydrophobicContact CD2-CD1 4.49Å; L401-A442 HydrophobicContact CD1-CB 4.08Å
402	L	95.9	Very high	94.8	Very high	9 Å²	9	44 Å²	44	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-74.3	-52.9	177.9	-66.7	166.4	0	0	0	111.5	L398 L399 L439 L446 D469 I470 S473 A474	L398-L402 PolarHBondContact O-N 3.08Å; L399-L402 HydrophobicContact CD2-CD1 4.49Å; L399-L402 PolarHBondContact O-N 2.64Å; L402-L439 HydrophobicContact CD2-CD1 3.92Å; L402-L446 HydrophobicContact CD1-CD1 4.32Å; L402-L446 HydrophobicContact CD2-CD1 4.06Å; L402-L446 HydrophobicContact CG-CD1 4.25Å; L402-D469 HydrophobicContact CD1-CB 4.07Å; L402-I470 HydrophobicContact CD1-CG1 3.74Å; L402-S473 VanDerWaalsContact O-CB 3.26Å; L402-S473 WeakPolarHBondContact O-CB 2.99Å; L402-S473 PolarHBondContact O-OG 2.96Å; L402-A474 HydrophobicContact CD2-CB 4.43Å
403	S	93.7	Very high	94.9	Very high	18 Å²	18	43.2 Å²	43.2	13%	0.126	24%	0.235	C	C	.	.	S	Bend	trans	-135.7	72.7	-169.1	-57.8	0	0	0	0	109.7	L399 R405 N406 D469 S473	L399-S403 CarbonylContact O-C 3.54Å; L399-S403 WeakPolarHBondContact O-CA 3.26Å; L399-S403 PolarHBondContact O-N 3.32Å; S403-R405 PolarHBondContact O-N 3.26Å; S403-N406 VanDerWaalsContact O-CB 3.25Å; S403-N406 WeakPolarHBondContact O-CB 3.44Å; S403-N406 PolarHBondContact O-N 2.87Å; S403-D469 PolarHBondContact OG-OD1 3.32Å; S403-S473 PolarHBondContact OG-OG 3.34Å
404	P	95.8	Very high	94.9	Very high	37 Å²	37	43.9 Å²	43.9	24%	0.24	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	135.1	-174.4	22.4	-32	0	0	0	111.5	Y400 N406 R435	Y400-P404 HydrophobicContact CD1-CB 4.21Å; Y400-P404 HydrophobicContact CE1-CB 4.03Å; Y400-P404 HydrophobicContact CE2-CB 4.46Å; Y400-P404 VanDerWaalsContact O-CA 3.24Å; Y400-P404 WeakPolarHBondContact O-CA 3.3Å; Y400-P404 WeakPolarHBondContact O-CB 3.4Å; Y400-P404 WeakPolarHBondContact O-CD 3.4Å; P404-N406 PolarHBondContact O-N 3.46Å; P404-N406 VanDerWaalsContact O-N 3.15Å; P404-R435 HydrophobicContact CG-CG 4.36Å
405	R	95.4	Very high	95	Very high	36 Å²	36	44.9 Å²	44.9	14%	0.136	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	19.9	179.7	-53.4	-176.8	-179.2	178.3	3.9	115.3	D365 Y400 S403 V415 D422	D365-R405 IonicContact OD2-CZ 3.96Å; D365-R405 IonicContact OD2-NE 3.23Å; D365-R405 IonicContact OD2-NH2 2.6Å; D365-R405 PolarHBondContact OD2-NH2 3.32Å; Y400-R405 HydrophobicContact CE2-CG 3.76Å; Y400-R405 VanDerWaalsContact CE2-N 3.31Å; Y400-R405 VanDerWaalsContact OH-CG 3.27Å; Y400-R405 WeakPolarHBondContact OH-CG 3.42Å; Y400-R405 PolarHBondContact OH-NE 3.04Å; S403-R405 PolarHBondContact O-N 3.26Å; R405-V415 HydrophobicContact CB-CG1 4.18Å; R405-V415 HydrophobicContact CB-CG2 4.31Å; R405-V415 HydrophobicContact CG-CG1 4.41Å; R405-D422 IonicContact CZ-OD1 3.68Å; R405-D422 IonicContact CZ-OD2 3.4Å; R405-D422 IonicContact NH1-OD1 2.64Å; R405-D422 IonicContact NH1-OD2 2.64Å; R405-D422 PolarHBondContact NH1-OD2 3.21Å; R405-D422 IonicContact NH2-OD1 2.7Å; R405-D422 PolarHBondContact NH2-OD1 3.08Å; R405-D422 IonicContact NH2-OD2 3.42Å; R405-D422 PolarHBondContact NH2-OD2 3.3Å
406	N	93.1	Very high	95.1	Very high	38 Å²	38	48.9 Å²	48.9	20%	0.203	26%	0.262	C	S	.	.			trans	-64.3	126.7	178.8	-173.8	-38.7	0	0	0	111.5	S403 P404 N408 H409 M410	S403-N406 VanDerWaalsContact O-CB 3.25Å; S403-N406 WeakPolarHBondContact O-CB 3.44Å; S403-N406 PolarHBondContact O-N 2.87Å; P404-N406 PolarHBondContact O-N 3.46Å; P404-N406 VanDerWaalsContact O-N 3.15Å; N406-N408 PolarHBondContact O-N 3.34Å; N406-N408 VanDerWaalsContact O-N 3.15Å; N406-N408 VanDerWaalsContact OD1-CB 3.25Å; N406-N408 WeakPolarHBondContact OD1-CB 3.5Å; N406-N408 PolarHBondContact OD1-N 3.23Å; N406-N408 PolarHBondContact OD1-ND2 3.43Å; N406-H409 PolarHBondContact O-N 2.88Å; N406-M410 PolarHBondContact O-N 3.38Å; N406-M410 VanDerWaalsContact O-N 3.08Å
407	P	92.3	Very high	95.1	Very high	106 Å²	106	47.3 Å²	47.3	69%	0.688	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.3	-176.7	26.9	-36.2	0	0	0	113.8	H409	P407-H409 PolarHBondContact O-N 3.22Å
408	N	88.8	Confident	95.1	Very high	118 Å²	118	47.3 Å²	47.3	63%	0.631	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.8	174.3	-64.4	-30.1	0	0	0	112.5	N406	N406-N408 PolarHBondContact O-N 3.34Å; N406-N408 VanDerWaalsContact O-N 3.15Å; N406-N408 VanDerWaalsContact OD1-CB 3.25Å; N406-N408 WeakPolarHBondContact OD1-CB 3.5Å; N406-N408 PolarHBondContact OD1-N 3.23Å; N406-N408 PolarHBondContact OD1-ND2 3.43Å
409	H	89.9	Confident	95.2	Very high	26 Å²	26	51.7 Å²	51.7	12%	0.12	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-22.8	-172.6	-52.6	-42.5	0	0	0	112.8	L399 N406 P407 D469	L399-H409 HydrophobicContact CD1-CB 4.36Å; N406-H409 PolarHBondContact O-N 2.88Å; P407-H409 PolarHBondContact O-N 3.22Å; H409-D469 IonicContact CD2-OD1 3.49Å; H409-D469 IonicContact CE1-OD1 2.73Å; H409-D469 IonicContact CE1-OD2 3.63Å; H409-D469 PolarHBondContact CE1-OD2 3.21Å; H409-D469 IonicContact NE2-OD1 3.67Å; H409-D469 PolarHBondContact NE2-OD1 3.4Å; H409-D469 IonicContact NE2-OD2 3.26Å; H409-D469 PolarHBondContact NE2-OD2 3.29Å
410	M	92.2	Very high	95.3	Very high	9 Å²	9	56.2 Å²	56.2	4%	0.044	30%	0.297	C	S	.	.	S	Bend	trans	-130.3	132.8	-168.9	-64.6	-68.7	-83.5	0	0	111	L361 K396 Y400 N406 I414 V415 L418	L361-M410 HydrophobicContact CD1-CE 3.35Å; L361-M410 HydrophobicContact CD1-SD 4.35Å; K396-M410 HydrophobicContact CD-SD 4.39Å; Y400-M410 HydrophobicContact CD2-CE 4.25Å; Y400-M410 HydrophobicContact CE2-CE 4.33Å; N406-M410 PolarHBondContact O-N 3.38Å; N406-M410 VanDerWaalsContact O-N 3.08Å; M410-I414 HydrophobicContact CE-CB 4.35Å; M410-I414 HydrophobicContact CE-CG2 3.42Å; M410-I414 VanDerWaalsContact CE-CG2 3.42Å; M410-V415 HydrophobicContact CB-CG2 4.01Å; M410-L418 HydrophobicContact CE-CD1 3.78Å
411	L	95.3	Very high	95.2	Very high	118 Å²	118	56 Å²	56	62%	0.618	30%	0.297	S	S	*	.			trans	-71.4	146	175.3	-65.5	175.9	0	0	0	110.4	D413 I414 V415	L411-D413 VanDerWaalsContact C-N 3.27Å; L411-D413 PolarHBondContact O-N 3.28Å; L411-I414 HydrophobicContact CB-CG1 4.3Å; L411-I414 WeakPolarHBondContact O-CB 3.25Å; L411-I414 PolarHBondContact O-N 3.34Å; L411-V415 PolarHBondContact O-N 3.25Å; L411-V415 VanDerWaalsContact O-N 3.15Å
412	P	96.8	Very high	95.3	Very high	98 Å²	98	58.2 Å²	58.2	64%	0.636	31%	0.309	S	S	*	.	H	α-helix	trans	-52.8	-40	179.7	-28.7	35.5	0	0	0	114	I414 V415 K416	P412-I414 VanDerWaalsContact C-N 3.28Å; P412-I414 PolarHBondContact O-N 3.03Å; P412-V415 WeakPolarHBondContact O-CB 3.4Å; P412-V415 PolarHBondContact O-N 3.04Å; P412-V415 VanDerWaalsContact O-N 3.13Å; P412-K416 PolarHBondContact O-N 3.33Å
413	D	96.4	Very high	95.3	Very high	128 Å²	128	61.9 Å²	61.9	68%	0.684	35%	0.348	S	S	*	.	H	α-helix	trans	-63.4	-33.9	178.8	-66.4	-24.5	0	0	0	113	L411 Q417	L411-D413 VanDerWaalsContact C-N 3.27Å; L411-D413 PolarHBondContact O-N 3.28Å; D413-Q417 WeakPolarHBondContact O-CB 3.43Å; D413-Q417 PolarHBondContact O-N 3.25Å
414	I	96.3	Very high	95.5	Very high	41 Å²	41	61.7 Å²	61.7	21%	0.21	35%	0.346	C	S	.	.	H	α-helix	trans	-73.3	-37	176.3	-57	-63.2	0	0	0	110.3	L358 M410 L411 P412 Q417 L418	L358-I414 HydrophobicContact CD2-CG2 3.63Å; M410-I414 HydrophobicContact CE-CB 4.35Å; M410-I414 HydrophobicContact CE-CG2 3.42Å; M410-I414 VanDerWaalsContact CE-CG2 3.42Å; L411-I414 HydrophobicContact CB-CG1 4.3Å; L411-I414 WeakPolarHBondContact O-CB 3.25Å; L411-I414 PolarHBondContact O-N 3.34Å; P412-I414 VanDerWaalsContact C-N 3.28Å; P412-I414 PolarHBondContact O-N 3.03Å; I414-Q417 WeakPolarHBondContact O-CB 3.36Å; I414-Q417 PolarHBondContact O-N 3.02Å; I414-L418 HydrophobicContact CG2-CD1 4.27Å; I414-L418 WeakPolarHBondContact O-CG 3.36Å; I414-L418 PolarHBondContact O-N 3.33Å
415	V	97.6	Very high	95.5	Very high	21 Å²	21	62 Å²	62	13%	0.127	35%	0.351	C	S	.	.	H	α-helix	trans	-61.9	-49.9	174	176.9	0	0	0	0	110	R405 M410 L411 P412 Q417 L418 E419	R405-V415 HydrophobicContact CB-CG1 4.18Å; R405-V415 HydrophobicContact CB-CG2 4.31Å; R405-V415 HydrophobicContact CG-CG1 4.41Å; M410-V415 HydrophobicContact CB-CG2 4.01Å; L411-V415 PolarHBondContact O-N 3.25Å; L411-V415 VanDerWaalsContact O-N 3.15Å; P412-V415 WeakPolarHBondContact O-CB 3.4Å; P412-V415 PolarHBondContact O-N 3.04Å; P412-V415 VanDerWaalsContact O-N 3.13Å; V415-Q417 PolarHBondContact O-N 3.22Å; V415-L418 PolarHBondContact O-N 3.29Å; V415-E419 HydrophobicContact CG1-CG 4.45Å; V415-E419 WeakPolarHBondContact CG1-OE1 3.26Å; V415-E419 WeakPolarHBondContact O-CG 3.49Å; V415-E419 PolarHBondContact O-N 3.47Å
416	K	97.2	Very high	95.6	Very high	144 Å²	144	63.4 Å²	63.4	63%	0.626	36%	0.359	S	S	*	.	H	α-helix	trans	-57.7	-34.9	175.3	-173.4	176.8	-179	178.6	0	112.7	P412 E419	P412-K416 PolarHBondContact O-N 3.33Å; K416-E419 WeakPolarHBondContact CA-OE2 3.42Å
417	Q	96.3	Very high	95.8	Very high	17 Å²	17	62.7 Å²	62.7	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-66.9	-44.4	173.7	-174	-178.2	-49	0	0	111.7	R322 M325 W329 D413 I414 V415 E419 Q420	R322-Q417 VanDerWaalsContact NE-CD 3.25Å; M325-Q417 HydrophobicContact CE-CG 4.13Å; M325-Q417 PolarHBondContact SD-NE2 2.99Å; M325-Q417 VanDerWaalsContact SD-NE2 3.45Å; W329-Q417 WeakPolarHBondContact CH2-O 3.46Å; D413-Q417 WeakPolarHBondContact O-CB 3.43Å; D413-Q417 PolarHBondContact O-N 3.25Å; I414-Q417 WeakPolarHBondContact O-CB 3.36Å; I414-Q417 PolarHBondContact O-N 3.02Å; V415-Q417 PolarHBondContact O-N 3.22Å; Q417-E419 VanDerWaalsContact C-N 3.34Å; Q417-Q420 WeakPolarHBondContact O-CB 3.44Å; Q417-Q420 PolarHBondContact O-N 3.48Å
418	L	97.6	Very high	96	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-65.8	-36.3	179.4	-71.5	163.5	0	0	0	112.5	M325 L361 Y400 M410 I414 V415 Q420 G421	M325-L418 HydrophobicContact CE-CD2 3.74Å; M325-L418 HydrophobicContact CE-CG 4.44Å; L361-L418 HydrophobicContact CB-CD1 4.44Å; L361-L418 HydrophobicContact CB-CD2 3.88Å; L361-L418 HydrophobicContact CD1-CD1 4.11Å; Y400-L418 HydrophobicContact CE2-CD1 3.77Å; M410-L418 HydrophobicContact CE-CD1 3.78Å; I414-L418 HydrophobicContact CG2-CD1 4.27Å; I414-L418 WeakPolarHBondContact O-CG 3.36Å; I414-L418 PolarHBondContact O-N 3.33Å; V415-L418 PolarHBondContact O-N 3.29Å; L418-Q420 PolarHBondContact O-N 3.15Å; L418-Q420 VanDerWaalsContact O-N 3.15Å; L418-G421 PolarHBondContact O-N 2.8Å; L418-G421 VanDerWaalsContact O-N 3.09Å
419	E	97.7	Very high	96.4	Very high	93 Å²	93	62.3 Å²	62.3	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-59.5	-22.3	177.8	-77.1	168.7	172.8	0	0	113.8	V415 K416 Q417 G421 D422	V415-E419 HydrophobicContact CG1-CG 4.45Å; V415-E419 WeakPolarHBondContact CG1-OE1 3.26Å; V415-E419 WeakPolarHBondContact O-CG 3.49Å; V415-E419 PolarHBondContact O-N 3.47Å; K416-E419 WeakPolarHBondContact CA-OE2 3.42Å; Q417-E419 VanDerWaalsContact C-N 3.34Å; E419-G421 PolarHBondContact O-N 3.39Å; E419-G421 VanDerWaalsContact O-N 3.11Å; E419-D422 WeakPolarHBondContact O-CB 3.48Å; E419-D422 PolarHBondContact O-N 3.14Å
420	Q	97.3	Very high	96.8	Very high	105 Å²	105	65.2 Å²	65.2	49%	0.491	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.2	175.3	-62.6	177.5	28.8	0	0	113.1	W329 Q417 L418	W329-Q420 HydrophobicContact CH2-CB 4.08Å; W329-Q420 HydrophobicContact CZ3-CB 3.84Å; Q417-Q420 WeakPolarHBondContact O-CB 3.44Å; Q417-Q420 PolarHBondContact O-N 3.48Å; L418-Q420 PolarHBondContact O-N 3.15Å; L418-Q420 VanDerWaalsContact O-N 3.15Å
421	G	97.2	Very high	96.9	Very high	3 Å²	3	67.4 Å²	67.4	3%	0.031	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-7.4	175.8	0	0	0	0	0	115.3	L418 E419 N424	L418-G421 PolarHBondContact O-N 2.8Å; L418-G421 VanDerWaalsContact O-N 3.09Å; E419-G421 PolarHBondContact O-N 3.39Å; E419-G421 VanDerWaalsContact O-N 3.11Å; G421-N424 WeakPolarHBondContact O-CB 3.41Å; G421-N424 PolarHBondContact O-ND2 3.42Å
422	D	97.6	Very high	97	Very high	58 Å²	58	64.6 Å²	64.6	31%	0.31	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	148	-175.2	-67.4	-17.6	0	0	0	111.5	R405 E419 N424 M431	R405-D422 IonicContact CZ-OD1 3.68Å; R405-D422 IonicContact CZ-OD2 3.4Å; R405-D422 IonicContact NH1-OD1 2.64Å; R405-D422 IonicContact NH1-OD2 2.64Å; R405-D422 PolarHBondContact NH1-OD2 3.21Å; R405-D422 IonicContact NH2-OD1 2.7Å; R405-D422 PolarHBondContact NH2-OD1 3.08Å; R405-D422 IonicContact NH2-OD2 3.42Å; R405-D422 PolarHBondContact NH2-OD2 3.3Å; E419-D422 WeakPolarHBondContact O-CB 3.48Å; E419-D422 PolarHBondContact O-N 3.14Å; D422-N424 PolarHBondContact O-N 2.88Å; D422-N424 VanDerWaalsContact O-N 3.11Å; D422-M431 WeakPolarHBondContact OD1-CE 3.46Å
423	G	96.5	Very high	97	Very high	85 Å²	85	62.9 Å²	62.9	88%	0.876	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	14.9	179.6	0	0	0	0	0	114.8
424	N	97.2	Very high	97.1	Very high	15 Å²	15	57.1 Å²	57.1	8%	0.08	31%	0.314	C	S	.	.			trans	-61.2	159	-178.5	72.7	72.2	0	0	0	113.1	W329 R336 G421 D422 H426 S427	W329-N424 VanDerWaalsContact O-CB 3.29Å; W329-N424 WeakPolarHBondContact O-CB 3.31Å; W329-N424 PolarHBondContact O-OD1 2.74Å; W329-N424 VanDerWaalsContact O-OD1 3.07Å; R336-N424 PolarHBondContact NH2-OD1 2.98Å; G421-N424 WeakPolarHBondContact O-CB 3.41Å; G421-N424 PolarHBondContact O-ND2 3.42Å; D422-N424 PolarHBondContact O-N 2.88Å; D422-N424 VanDerWaalsContact O-N 3.11Å; N424-H426 PolarHBondContact O-N 3.43Å; N424-H426 PolarHBondContact OD1-N 3.23Å; N424-H426 VanDerWaalsContact OD1-N 3.1Å; N424-S427 WeakPolarHBondContact ND2-CB 3.33Å; N424-S427 PolarHBondContact ND2-OG 3.46Å; N424-S427 WeakPolarHBondContact OD1-CB 3.23Å; N424-S427 PolarHBondContact OD1-N 3.45Å; N424-S427 PolarHBondContact OD1-OG 2.98Å
425	A	96.4	Very high	97.1	Very high	42 Å²	42	58.8 Å²	58.8	35%	0.347	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.7	-170.9	0	0	0	0	0	115.5	K428	A425-K428 WeakPolarHBondContact O-CE 3.35Å; A425-K428 PolarHBondContact O-NZ 3.34Å
426	H	97.2	Very high	97.1	Very high	66 Å²	66	63.8 Å²	63.8	31%	0.306	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-0.6	-169.6	-62.4	-59	0	0	0	114.5	G331 R336 N424	G331-H426 PolarHBondContact O-CD2 3.22Å; R336-H426 VanDerWaalsContact NH1-C 3.26Å; R336-H426 PolarHBondContact NH1-O 3.29Å; N424-H426 PolarHBondContact O-N 3.43Å; N424-H426 PolarHBondContact OD1-N 3.23Å; N424-H426 VanDerWaalsContact OD1-N 3.1Å
427	S	97.8	Very high	97.2	Very high	23 Å²	23	59 Å²	59	16%	0.161	31%	0.314	C	S	.	.			trans	-92.5	96.2	171.2	-66.5	0	0	0	0	108.8	R336 C366 N424	R336-S427 PolarHBondContact NH1-OG 3.35Å; R336-S427 PolarHBondContact NH2-OG 3.24Å; C366-S427 VanDerWaalsContact CA-OG 3.32Å; C366-S427 WeakPolarHBondContact CA-OG 3.35Å; C366-S427 WeakPolarHBondContact CB-OG 3.24Å; C366-S427 PolarHBondContact O-OG 3.36Å; N424-S427 WeakPolarHBondContact ND2-CB 3.33Å; N424-S427 PolarHBondContact ND2-OG 3.46Å; N424-S427 WeakPolarHBondContact OD1-CB 3.23Å; N424-S427 PolarHBondContact OD1-N 3.45Å; N424-S427 PolarHBondContact OD1-OG 2.98Å
428	K	97.7	Very high	97.3	Very high	161 Å²	161	58.3 Å²	58.3	70%	0.7	31%	0.311	S	S	*	.			trans	-99.3	-24.9	-175.4	-58	-54.5	-175.9	-171.5	0	112.8	D368 A425	D368-K428 PolarHBondContact OD2-N 2.96Å; A425-K428 WeakPolarHBondContact O-CE 3.35Å; A425-K428 PolarHBondContact O-NZ 3.34Å
429	K	97.1	Very high	97.3	Very high	56 Å²	56	59.5 Å²	59.5	24%	0.243	32%	0.317	C	S	.	.	S	Bend	trans	-66.6	134.6	172.4	-173.6	175.9	-77	179.3	0	109.7	D368 I433 R434 E437	D368-K429 HydrophobicContact CB-CB 4.11Å; D368-K429 WeakPolarHBondContact O-CE 3.45Å; D368-K429 PolarHBondContact O-NZ 2.77Å; D368-K429 WeakPolarHBondContact OD1-CB 3.49Å; D368-K429 PolarHBondContact OD1-N 2.89Å; D368-K429 PolarHBondContact OD2-N 3.21Å; D368-K429 VanDerWaalsContact OD2-N 3.08Å; K429-I433 HydrophobicContact CD-CG2 4.11Å; K429-I433 HydrophobicContact CG-CB 4.26Å; K429-I433 HydrophobicContact CG-CG2 4.16Å; K429-R434 HydrophobicContact CD-CB 4Å; K429-R434 HydrophobicContact CD-CG 4.49Å; K429-R434 HydrophobicContact CG-CB 4.34Å; K429-R434 PolarHBondContact O-NH2 3.43Å; K429-E437 VanDerWaalsContact NZ-CD 3.35Å; K429-E437 IonicContact NZ-OE1 3.54Å; K429-E437 PolarHBondContact NZ-OE1 3.43Å; K429-E437 VanDerWaalsContact NZ-OE1 3.17Å; K429-E437 IonicContact NZ-OE2 3.97Å; K429-E437 PolarHBondContact NZ-OE2 3.3Å
430	D	96.8	Very high	97.3	Very high	87 Å²	87	59.4 Å²	59.4	47%	0.465	32%	0.316	S	S	.	.			trans	-53.7	139.6	171.9	172.8	-99.5	0	0	0	111	A432 I433 R434	D430-A432 VanDerWaalsContact C-N 3.34Å; D430-A432 PolarHBondContact O-N 2.93Å; D430-A432 WeakPolarHBondContact OD1-CA 3.37Å; D430-A432 VanDerWaalsContact OD1-CB 3.24Å; D430-A432 WeakPolarHBondContact OD1-CB 3.31Å; D430-A432 PolarHBondContact OD1-N 3.44Å; D430-I433 HydrophobicContact CB-CB 4.28Å; D430-I433 HydrophobicContact CB-CD1 3.96Å; D430-I433 HydrophobicContact CB-CG1 3.99Å; D430-I433 PolarHBondContact O-N 3Å; D430-I433 PolarHBondContact OD1-N 3.33Å; D430-R434 PolarHBondContact O-N 3.43Å
431	M	95.5	Very high	97.4	Very high	54 Å²	54	55.9 Å²	55.9	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-65.1	-38.9	-174	-173.3	-174.9	-72.5	0	0	111.6	D422 R434 R435	D422-M431 WeakPolarHBondContact OD1-CE 3.46Å; M431-R434 PolarHBondContact O-N 3.34Å; M431-R435 WeakPolarHBondContact O-CB 3.1Å; M431-R435 VanDerWaalsContact O-CG 3.23Å; M431-R435 WeakPolarHBondContact O-CG 3.29Å; M431-R435 PolarHBondContact O-N 3.27Å; M431-R435 PolarHBondContact SD-NH2 2.7Å
432	A	95.9	Very high	97.4	Very high	59 Å²	59	55.7 Å²	55.7	49%	0.488	30%	0.304	S	S	.	.	H	α-helix	trans	-68.2	-39.3	178.4	0	0	0	0	0	111.1	D430 R435 R436	D430-A432 VanDerWaalsContact C-N 3.34Å; D430-A432 PolarHBondContact O-N 2.93Å; D430-A432 WeakPolarHBondContact OD1-CA 3.37Å; D430-A432 VanDerWaalsContact OD1-CB 3.24Å; D430-A432 WeakPolarHBondContact OD1-CB 3.31Å; D430-A432 PolarHBondContact OD1-N 3.44Å; A432-R435 PolarHBondContact O-N 3.19Å; A432-R436 WeakPolarHBondContact O-CB 3.39Å; A432-R436 PolarHBondContact O-N 3.45Å
433	I	97.9	Very high	97.4	Very high	63 Å²	63	53 Å²	53	32%	0.323	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-47.9	173.8	-60.7	180	0	0	0	110.9	K429 D430 R435 R436 E437	K429-I433 HydrophobicContact CD-CG2 4.11Å; K429-I433 HydrophobicContact CG-CB 4.26Å; K429-I433 HydrophobicContact CG-CG2 4.16Å; D430-I433 HydrophobicContact CB-CB 4.28Å; D430-I433 HydrophobicContact CB-CD1 3.96Å; D430-I433 HydrophobicContact CB-CG1 3.99Å; D430-I433 PolarHBondContact O-N 3Å; D430-I433 PolarHBondContact OD1-N 3.33Å; I433-R435 VanDerWaalsContact C-N 3.34Å; I433-R435 PolarHBondContact O-N 2.84Å; I433-R436 PolarHBondContact O-N 2.52Å; I433-E437 HydrophobicContact CG2-CG 4.44Å; I433-E437 WeakPolarHBondContact O-CG 3.38Å; I433-E437 PolarHBondContact O-N 2.86Å
434	R	97.9	Very high	97.5	Very high	6 Å²	6	52.2 Å²	52.2	2%	0.023	27%	0.269	C	S	.	.	H	α-helix	trans	-58.2	-46.7	178.4	-169.9	-172.5	-61.5	112.5	12.3	111	F364 D365 V367 D368 T370 K429 D430 M431 E437 L438	F364-R434 WeakPolarHBondContact O-CD 3.34Å; D365-R434 PolarHBondContact O-NH1 3.19Å; V367-R434 VanDerWaalsContact O-CD 3.28Å; V367-R434 WeakPolarHBondContact O-CD 3.41Å; V367-R434 PolarHBondContact O-NE 2.95Å; D368-R434 IonicContact OD1-CZ 3.63Å; D368-R434 IonicContact OD1-NE 2.85Å; D368-R434 PolarHBondContact OD1-NE 3.27Å; D368-R434 IonicContact OD1-NH2 3.53Å; D368-R434 PolarHBondContact OD1-NH2 3.23Å; T370-R434 HydrophobicContact CG2-CG 3.81Å; K429-R434 HydrophobicContact CD-CB 4Å; K429-R434 HydrophobicContact CD-CG 4.49Å; K429-R434 HydrophobicContact CG-CB 4.34Å; K429-R434 PolarHBondContact O-NH2 3.43Å; D430-R434 PolarHBondContact O-N 3.43Å; M431-R434 PolarHBondContact O-N 3.34Å; R434-E437 PolarHBondContact O-N 2.86Å; R434-L438 HydrophobicContact CG-CD1 4.43Å; R434-L438 WeakPolarHBondContact O-CG 3.42Å; R434-L438 PolarHBondContact O-N 3.36Å
435	R	97.2	Very high	97.5	Very high	76 Å²	76	53.6 Å²	53.6	29%	0.287	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-49.9	177.6	-75.2	169.1	175.1	179.9	1.5	111.7	P404 M431 A432 I433 E437 L438 L439	P404-R435 HydrophobicContact CG-CG 4.36Å; M431-R435 WeakPolarHBondContact O-CB 3.1Å; M431-R435 VanDerWaalsContact O-CG 3.23Å; M431-R435 WeakPolarHBondContact O-CG 3.29Å; M431-R435 PolarHBondContact O-N 3.27Å; M431-R435 PolarHBondContact SD-NH2 2.7Å; A432-R435 PolarHBondContact O-N 3.19Å; I433-R435 VanDerWaalsContact C-N 3.34Å; I433-R435 PolarHBondContact O-N 2.84Å; R435-E437 PolarHBondContact O-N 3.29Å; R435-L438 PolarHBondContact O-N 3.47Å; R435-L439 VanDerWaalsContact O-CB 3.31Å; R435-L439 WeakPolarHBondContact O-CB 3.25Å; R435-L439 PolarHBondContact O-N 3.11Å
436	R	97.6	Very high	97.6	Very high	126 Å²	126	51.7 Å²	51.7	48%	0.475	26%	0.262	S	S	.	.	H	α-helix	trans	-57	-48.7	178.6	-175.8	178.3	63.8	-126.5	-0.9	111.7	A432 I433 L438 L439 E440	A432-R436 WeakPolarHBondContact O-CB 3.39Å; A432-R436 PolarHBondContact O-N 3.45Å; I433-R436 PolarHBondContact O-N 2.52Å; R436-L438 VanDerWaalsContact C-N 3.29Å; R436-L438 PolarHBondContact O-N 3.17Å; R436-L439 PolarHBondContact O-N 3.2Å; R436-E440 HydrophobicContact CG-CG 4.37Å; R436-E440 WeakPolarHBondContact CG-OE1 3.45Å; R436-E440 IonicContact NE-OE1 3.59Å; R436-E440 WeakPolarHBondContact O-CB 3.17Å; R436-E440 VanDerWaalsContact O-CG 3.3Å; R436-E440 WeakPolarHBondContact O-CG 3.46Å; R436-E440 PolarHBondContact O-N 3.12Å
437	E	98.4	Very high	97.6	Very high	43 Å²	43	49.2 Å²	49.2	20%	0.201	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-37	-180	-72.8	176.3	177.6	0	0	112.8	T370 K374 K429 I433 R434 R435	T370-E437 VanDerWaalsContact CB-OE2 3.25Å; T370-E437 WeakPolarHBondContact CB-OE2 3.43Å; T370-E437 HydrophobicContact CG2-CB 4.26Å; T370-E437 WeakPolarHBondContact CG2-OE2 3.44Å; T370-E437 PolarHBondContact OG1-OE2 3.16Å; K374-E437 WeakPolarHBondContact CE-O 3.39Å; K374-E437 PolarHBondContact NZ-O 2.99Å; K429-E437 VanDerWaalsContact NZ-CD 3.35Å; K429-E437 IonicContact NZ-OE1 3.54Å; K429-E437 PolarHBondContact NZ-OE1 3.43Å; K429-E437 VanDerWaalsContact NZ-OE1 3.17Å; K429-E437 IonicContact NZ-OE2 3.97Å; K429-E437 PolarHBondContact NZ-OE2 3.3Å; I433-E437 HydrophobicContact CG2-CG 4.44Å; I433-E437 WeakPolarHBondContact O-CG 3.38Å; I433-E437 PolarHBondContact O-N 2.86Å; R434-E437 PolarHBondContact O-N 2.86Å; R435-E437 PolarHBondContact O-N 3.29Å
438	L	98.5	Very high	97.6	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-73.8	-41.4	177.6	-65.2	177.5	0	0	0	111.6	F364 T370 V373 L378 L401 R434 R435 R436 A441 A442	F364-L438 HydrophobicContact CB-CD1 3.88Å; F364-L438 HydrophobicContact CD1-CD1 3.97Å; F364-L438 HydrophobicContact CG-CD1 4.21Å; T370-L438 HydrophobicContact CG2-CD2 4.04Å; T370-L438 HydrophobicContact CG2-CG 4.21Å; V373-L438 HydrophobicContact CB-CD2 3.87Å; V373-L438 HydrophobicContact CG1-CD2 3.61Å; L378-L438 HydrophobicContact CD1-CD2 4.29Å; L401-L438 HydrophobicContact CD2-CB 3.98Å; L401-L438 HydrophobicContact CD2-CD1 4.49Å; R434-L438 HydrophobicContact CG-CD1 4.43Å; R434-L438 WeakPolarHBondContact O-CG 3.42Å; R434-L438 PolarHBondContact O-N 3.36Å; R435-L438 PolarHBondContact O-N 3.47Å; R436-L438 VanDerWaalsContact C-N 3.29Å; R436-L438 PolarHBondContact O-N 3.17Å; L438-A441 PolarHBondContact O-N 3.45Å; L438-A442 PolarHBondContact O-N 3.46Å; L438-A442 VanDerWaalsContact O-N 3.09Å
439	L	98.3	Very high	97.6	Very high	25 Å²	25	45.5 Å²	45.5	13%	0.131	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-45	176.4	177.2	59.3	0	0	0	111.5	L402 R435 R436 A441 A442 S443 S473	L402-L439 HydrophobicContact CD2-CD1 3.92Å; R435-L439 VanDerWaalsContact O-CB 3.31Å; R435-L439 WeakPolarHBondContact O-CB 3.25Å; R435-L439 PolarHBondContact O-N 3.11Å; R436-L439 PolarHBondContact O-N 3.2Å; L439-A441 PolarHBondContact O-N 3.13Å; L439-A442 PolarHBondContact O-N 3.34Å; L439-A442 VanDerWaalsContact O-N 3.1Å; L439-S443 WeakPolarHBondContact CD1-OG 3.48Å; L439-S443 WeakPolarHBondContact O-CB 3.31Å; L439-S443 PolarHBondContact O-N 3.22Å; L439-S443 PolarHBondContact O-OG 3.48Å; L439-S473 WeakPolarHBondContact CD2-O 3.44Å
440	E	97.9	Very high	97.6	Very high	90 Å²	90	42.8 Å²	42.8	42%	0.421	23%	0.225	S	C	.	.	H	α-helix	trans	-56	-35.3	174.9	-76.2	168.3	-178.6	0	0	112.4	R436 P444 C475	R436-E440 HydrophobicContact CG-CG 4.37Å; R436-E440 WeakPolarHBondContact CG-OE1 3.45Å; R436-E440 IonicContact NE-OE1 3.59Å; R436-E440 WeakPolarHBondContact O-CB 3.17Å; R436-E440 VanDerWaalsContact O-CG 3.3Å; R436-E440 WeakPolarHBondContact O-CG 3.46Å; R436-E440 PolarHBondContact O-N 3.12Å; E440-P444 WeakPolarHBondContact O-CD 3.35Å; E440-C475 HydrophobicContact CG-CB 4.39Å
441	A	97.8	Very high	97.6	Very high	31 Å²	31	43.3 Å²	43.3	26%	0.256	22%	0.22	S	C	.	.	H	α-helix	trans	-78.6	-31.6	178.3	0	0	0	0	0	113.3	K374 L378 L438 L439	K374-A441 HydrophobicContact CD-CB 3.78Å; K374-A441 HydrophobicContact CG-CB 3.65Å; L378-A441 HydrophobicContact CD1-CB 4Å; L438-A441 PolarHBondContact O-N 3.45Å; L439-A441 PolarHBondContact O-N 3.13Å
442	A	97.9	Very high	97.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-84	-27	-179.9	0	0	0	0	0	113.2	L401 L438 L439 P445 L446	L401-A442 HydrophobicContact CD1-CB 4.08Å; L438-A442 PolarHBondContact O-N 3.46Å; L438-A442 VanDerWaalsContact O-N 3.09Å; L439-A442 PolarHBondContact O-N 3.34Å; L439-A442 VanDerWaalsContact O-N 3.1Å; A442-P445 WeakPolarHBondContact O-CD 3.47Å; A442-L446 HydrophobicContact CB-CD1 4.2Å; A442-L446 WeakPolarHBondContact O-CD1 3.43Å; A442-L446 VanDerWaalsContact O-CG 3.24Å; A442-L446 WeakPolarHBondContact O-CG 3.4Å; A442-L446 PolarHBondContact O-N 2.91Å
443	S	98.1	Very high	97.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-50.7	-170.3	-63.6	0	0	0	0	114	L439 L446 L447 A474 C475	L439-S443 WeakPolarHBondContact CD1-OG 3.48Å; L439-S443 WeakPolarHBondContact O-CB 3.31Å; L439-S443 PolarHBondContact O-N 3.22Å; L439-S443 PolarHBondContact O-OG 3.48Å; S443-L446 PolarHBondContact O-N 3.25Å; S443-L447 WeakPolarHBondContact O-CG 3.47Å; S443-L447 PolarHBondContact O-N 3.22Å; S443-A474 WeakPolarHBondContact OG-CA 3.43Å; S443-C475 VanDerWaalsContact CB-N 3.33Å; S443-C475 VanDerWaalsContact CB-O 3.28Å; S443-C475 WeakPolarHBondContact CB-O 3.24Å; S443-C475 PolarHBondContact OG-N 3.05Å
444	P	97.9	Very high	97.6	Very high	69 Å²	69	43.8 Å²	43.8	45%	0.448	22%	0.216	S	C	.	.	H	α-helix	trans	-61.2	-47.1	-175.8	-18.2	29	0	0	0	113.3	E440 L446 L447 D448	E440-P444 WeakPolarHBondContact O-CD 3.35Å; P444-L446 VanDerWaalsContact C-N 3.3Å; P444-L446 PolarHBondContact O-N 3.21Å; P444-L447 PolarHBondContact O-N 3.15Å; P444-D448 WeakPolarHBondContact O-CB 3.24Å; P444-D448 PolarHBondContact O-N 2.8Å
445	P	97.8	Very high	97.5	Very high	45 Å²	45	47.8 Å²	47.8	29%	0.292	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-32.7	176.3	-27.3	39.4	0	0	0	114.1	L382 L385 A442 H449	L382-P445 HydrophobicContact CB-CB 4.38Å; L382-P445 HydrophobicContact CD1-CB 4.41Å; L382-P445 HydrophobicContact CD1-CG 4.08Å; L382-P445 HydrophobicContact CD2-CB 4.33Å; L385-P445 HydrophobicContact CD1-CB 4.03Å; L385-P445 WeakPolarHBondContact CD1-O 3.02Å; A442-P445 WeakPolarHBondContact O-CD 3.47Å; P445-H449 VanDerWaalsContact O-CB 3.25Å; P445-H449 WeakPolarHBondContact O-CB 3.4Å; P445-H449 PolarHBondContact O-N 3.33Å
446	L	97.7	Very high	97.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-70.1	-42.7	176	-72.2	171.2	0	0	0	111.9	L385 L398 L402 A442 S443 P444 H449 L450 I470	L385-L446 HydrophobicContact CD1-CD2 4.49Å; L385-L446 HydrophobicContact CD2-CD2 3.76Å; L398-L446 HydrophobicContact CD1-CD2 4.26Å; L402-L446 HydrophobicContact CD1-CD1 4.32Å; L402-L446 HydrophobicContact CD2-CD1 4.06Å; L402-L446 HydrophobicContact CG-CD1 4.25Å; A442-L446 HydrophobicContact CB-CD1 4.2Å; A442-L446 WeakPolarHBondContact O-CD1 3.43Å; A442-L446 VanDerWaalsContact O-CG 3.24Å; A442-L446 WeakPolarHBondContact O-CG 3.4Å; A442-L446 PolarHBondContact O-N 2.91Å; S443-L446 PolarHBondContact O-N 3.25Å; P444-L446 VanDerWaalsContact C-N 3.3Å; P444-L446 PolarHBondContact O-N 3.21Å; L446-H449 PolarHBondContact O-N 2.98Å; L446-L450 WeakPolarHBondContact O-CB 3.39Å; L446-L450 PolarHBondContact O-N 3.38Å; L446-I470 HydrophobicContact CB-CD1 4.45Å; L446-I470 HydrophobicContact CB-CG1 4.44Å
447	L	98.1	Very high	97.1	Very high	15 Å²	15	41.5 Å²	41.5	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-44.5	175.8	-72.1	169.3	0	0	0	111.4	S443 P444 H449 L450 R451 I470 L471 A474 L478 A481	S443-L447 WeakPolarHBondContact O-CG 3.47Å; S443-L447 PolarHBondContact O-N 3.22Å; P444-L447 PolarHBondContact O-N 3.15Å; L447-H449 VanDerWaalsContact C-N 3.35Å; L447-H449 PolarHBondContact O-N 3.22Å; L447-L450 PolarHBondContact O-N 3.21Å; L447-R451 WeakPolarHBondContact O-CB 3.3Å; L447-R451 PolarHBondContact O-N 3.07Å; L447-I470 HydrophobicContact CD2-CG2 3.78Å; L447-I470 HydrophobicContact CG-CG2 4.4Å; L447-L471 HydrophobicContact CD2-CD2 4.15Å; L447-A474 HydrophobicContact CD1-CB 3.98Å; L447-A474 HydrophobicContact CD2-CB 3.92Å; L447-A474 HydrophobicContact CG-CB 3.87Å; L447-L478 HydrophobicContact CD1-CD2 4.04Å; L447-L478 HydrophobicContact CD2-CD2 3.56Å; L447-L478 HydrophobicContact CG-CD2 4.43Å; L447-A481 HydrophobicContact CD2-CB 4.02Å
448	D	97.9	Very high	96.9	Very high	78 Å²	78	39.5 Å²	39.5	42%	0.417	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-40.7	175.5	-94	-37.7	0	0	0	112.2	P444 R451 L452	P444-D448 WeakPolarHBondContact O-CB 3.24Å; P444-D448 PolarHBondContact O-N 2.8Å; D448-R451 PolarHBondContact O-N 3.09Å; D448-R451 IonicContact OD1-CZ 2.74Å; D448-R451 IonicContact OD1-NE 2.67Å; D448-R451 PolarHBondContact OD1-NE 3.42Å; D448-R451 IonicContact OD1-NH2 3.51Å; D448-R451 PolarHBondContact OD1-NH2 3.15Å; D448-L452 WeakPolarHBondContact O-CB 3.38Å; D448-L452 VanDerWaalsContact O-CG 3.28Å; D448-L452 WeakPolarHBondContact O-CG 3.24Å; D448-L452 PolarHBondContact O-N 3.32Å
449	H	96.9	Very high	96.5	Very high	27 Å²	27	42.3 Å²	42.3	13%	0.125	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-45.3	175.7	-175.5	72.4	0	0	0	111.6	L385 L389 P445 L446 L447 L452 N453	L385-H449 HydrophobicContact CD1-CB 3.89Å; L389-H449 VanDerWaalsContact CD1-CD2 3.48Å; L389-H449 WeakPolarHBondContact CD1-CD2 3.4Å; P445-H449 VanDerWaalsContact O-CB 3.25Å; P445-H449 WeakPolarHBondContact O-CB 3.4Å; P445-H449 PolarHBondContact O-N 3.33Å; L446-H449 PolarHBondContact O-N 2.98Å; L447-H449 VanDerWaalsContact C-N 3.35Å; L447-H449 PolarHBondContact O-N 3.22Å; H449-L452 PolarHBondContact O-N 3.26Å; H449-N453 PolarHBondContact CE1-ND2 2.97Å; H449-N453 PolarHBondContact ND1-ND2 3.27Å; H449-N453 WeakPolarHBondContact O-CB 3.33Å; H449-N453 PolarHBondContact O-N 3.39Å; H449-N453 PolarHBondContact O-ND2 3.08Å
450	L	97.3	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-48.3	175.2	174	56.7	0	0	0	111.4	L446 L447 L452 N453 A454 M457 V467 I470 L471 A481 V485	L446-L450 WeakPolarHBondContact O-CB 3.39Å; L446-L450 PolarHBondContact O-N 3.38Å; L447-L450 PolarHBondContact O-N 3.21Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L450-L452 PolarHBondContact O-N 3.01Å; L450-N453 CarbonylContact O-C 3.53Å; L450-N453 PolarHBondContact O-N 3.21Å; L450-A454 VanDerWaalsContact O-CA 3.28Å; L450-A454 WeakPolarHBondContact O-CA 3.34Å; L450-A454 WeakPolarHBondContact O-CB 3.35Å; L450-A454 PolarHBondContact O-N 3.18Å; L450-M457 HydrophobicContact CB-SD 4.21Å; L450-M457 HydrophobicContact CD1-CB 4.3Å; L450-M457 HydrophobicContact CD1-CE 4.25Å; L450-M457 HydrophobicContact CD1-SD 3.83Å; L450-V467 HydrophobicContact CD1-CB 4.4Å; L450-V467 HydrophobicContact CD1-CG1 3.96Å; L450-V467 HydrophobicContact CD1-CG2 3.88Å; L450-V467 HydrophobicContact CD2-CG1 4.11Å; L450-I470 HydrophobicContact CD2-CB 4.39Å; L450-I470 HydrophobicContact CD2-CG2 3.96Å; L450-L471 HydrophobicContact CD2-CD1 4.08Å; L450-L471 HydrophobicContact CD2-CD2 3.85Å; L450-L471 HydrophobicContact CD2-CG 3.75Å; L450-A481 HydrophobicContact CD2-CB 4.1Å; L450-A481 HydrophobicContact CG-CB 4.27Å; L450-V485 HydrophobicContact CD1-CG2 4.12Å; L450-V485 HydrophobicContact CG-CG2 4.45Å
451	R	97.9	Very high	95.4	Very high	97 Å²	97	49 Å²	49	37%	0.366	27%	0.27	S	S	.	.	H	α-helix	trans	-56.6	-45.5	178.1	-176	-175.8	63.3	77.5	-0.4	112.1	L447 D448 A481 A484	L447-R451 WeakPolarHBondContact O-CB 3.3Å; L447-R451 PolarHBondContact O-N 3.07Å; D448-R451 PolarHBondContact O-N 3.09Å; D448-R451 IonicContact OD1-CZ 2.74Å; D448-R451 IonicContact OD1-NE 2.67Å; D448-R451 PolarHBondContact OD1-NE 3.42Å; D448-R451 IonicContact OD1-NH2 3.51Å; D448-R451 PolarHBondContact OD1-NH2 3.15Å; R451-A481 HydrophobicContact CB-CB 4.45Å; R451-A484 HydrophobicContact CB-CB 4.44Å; R451-A484 HydrophobicContact CG-CB 3.99Å
452	L	97.2	Very high	94.6	Very high	116 Å²	116	50 Å²	50	61%	0.607	28%	0.277	S	S	*	.	H	α-helix	trans	-77	-21.4	-177.6	-68.1	172.5	0	0	0	113.7	D448 H449 L450	D448-L452 WeakPolarHBondContact O-CB 3.38Å; D448-L452 VanDerWaalsContact O-CG 3.28Å; D448-L452 WeakPolarHBondContact O-CG 3.24Å; D448-L452 PolarHBondContact O-N 3.32Å; H449-L452 PolarHBondContact O-N 3.26Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L450-L452 PolarHBondContact O-N 3.01Å
453	N	96.1	Very high	94	Very high	64 Å²	64	51.1 Å²	51.1	34%	0.342	29%	0.287	S	S	.	.	H	α-helix	trans	-126.1	22.9	-172	-58.1	-87.1	0	0	0	113	H449 L450 V455 A456 M457	H449-N453 PolarHBondContact CE1-ND2 2.97Å; H449-N453 PolarHBondContact ND1-ND2 3.27Å; H449-N453 WeakPolarHBondContact O-CB 3.33Å; H449-N453 PolarHBondContact O-N 3.39Å; H449-N453 PolarHBondContact O-ND2 3.08Å; L450-N453 CarbonylContact O-C 3.53Å; L450-N453 PolarHBondContact O-N 3.21Å; N453-V455 VanDerWaalsContact C-N 3.29Å; N453-V455 PolarHBondContact O-N 2.94Å; N453-A456 PolarHBondContact O-N 3.11Å; N453-A456 VanDerWaalsContact O-N 3.08Å; N453-M457 HydrophobicContact CB-CG 4.39Å; N453-M457 PolarHBondContact O-N 3.24Å
454	A	96.3	Very high	93.6	Very high	6 Å²	6	51.3 Å²	51.3	5%	0.05	29%	0.288	C	S	.	.	H	α-helix	trans	-51.9	-45.4	-171.8	0	0	0	0	0	112.6	L450 A456 M457 V458 A484 V485 L488	L450-A454 VanDerWaalsContact O-CA 3.28Å; L450-A454 WeakPolarHBondContact O-CA 3.34Å; L450-A454 WeakPolarHBondContact O-CB 3.35Å; L450-A454 PolarHBondContact O-N 3.18Å; A454-A456 PolarHBondContact O-N 2.82Å; A454-M457 PolarHBondContact O-N 3.21Å; A454-V458 VanDerWaalsContact O-CB 3.29Å; A454-V458 WeakPolarHBondContact O-CB 3.42Å; A454-V458 WeakPolarHBondContact O-CG2 3.42Å; A454-V458 PolarHBondContact O-N 3.13Å; A454-A484 HydrophobicContact CB-CB 4.28Å; A454-V485 HydrophobicContact CB-CG2 4.33Å; A454-L488 HydrophobicContact CB-CD1 4.01Å; A454-L488 HydrophobicContact CB-CG 4.46Å
455	V	94.1	Very high	93	Very high	90 Å²	90	50.8 Å²	50.8	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-55.6	-53.6	178.5	-179.2	0	0	0	0	111.3	N453 M457 T459 L488	N453-V455 VanDerWaalsContact C-N 3.29Å; N453-V455 PolarHBondContact O-N 2.94Å; V455-M457 VanDerWaalsContact C-N 3.35Å; V455-M457 PolarHBondContact O-N 3.21Å; V455-T459 WeakPolarHBondContact O-CB 3.35Å; V455-T459 WeakPolarHBondContact O-CG2 3.24Å; V455-T459 PolarHBondContact O-N 2.7Å; V455-T459 PolarHBondContact O-OG1 3.05Å; V455-L488 HydrophobicContact CG2-CD1 4.36Å; V455-L488 HydrophobicContact CG2-CD2 3.45Å; V455-L488 VanDerWaalsContact CG2-CD2 3.45Å
456	A	93.3	Very high	92.6	Very high	60 Å²	60	48.9 Å²	48.9	50%	0.496	27%	0.271	S	S	.	.	H	α-helix	trans	-65.1	-39.7	-176.5	0	0	0	0	0	111.6	N453 A454 D460	N453-A456 PolarHBondContact O-N 3.11Å; N453-A456 VanDerWaalsContact O-N 3.08Å; A454-A456 PolarHBondContact O-N 2.82Å; A456-D460 WeakPolarHBondContact O-CB 3.25Å; A456-D460 PolarHBondContact O-N 2.8Å
457	M	94.5	Very high	92.5	Very high	11 Å²	11	48.8 Å²	48.8	5%	0.054	27%	0.271	C	S	.	.	H	α-helix	trans	-72.4	-38.6	-178.9	-66.8	-171.8	68.2	0	0	113	L450 N453 A454 V455 A463 S464 V467 I470	L450-M457 HydrophobicContact CB-SD 4.21Å; L450-M457 HydrophobicContact CD1-CB 4.3Å; L450-M457 HydrophobicContact CD1-CE 4.25Å; L450-M457 HydrophobicContact CD1-SD 3.83Å; N453-M457 HydrophobicContact CB-CG 4.39Å; N453-M457 PolarHBondContact O-N 3.24Å; A454-M457 PolarHBondContact O-N 3.21Å; V455-M457 VanDerWaalsContact C-N 3.35Å; V455-M457 PolarHBondContact O-N 3.21Å; M457-A463 HydrophobicContact CB-CB 4.48Å; M457-A463 CarbonylContact O-C 3.48Å; M457-S464 VanDerWaalsContact O-CA 3.24Å; M457-S464 WeakPolarHBondContact O-CA 3.35Å; M457-S464 PolarHBondContact O-N 3.4Å; M457-V467 HydrophobicContact CB-CG2 3.77Å; M457-V467 HydrophobicContact CE-CG2 4.24Å; M457-I470 HydrophobicContact CE-CD1 3.89Å
458	V	94	Very high	92.2	Very high	1 Å²	1	53 Å²	53	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-75.3	-36.2	-179	170.5	0	0	0	0	111.9	A454 V467 V485 L488 M504 A509 V513	A454-V458 VanDerWaalsContact O-CB 3.29Å; A454-V458 WeakPolarHBondContact O-CB 3.42Å; A454-V458 WeakPolarHBondContact O-CG2 3.42Å; A454-V458 PolarHBondContact O-N 3.13Å; V458-V467 HydrophobicContact CG2-CG2 4.37Å; V458-V485 HydrophobicContact CG2-CG1 4.18Å; V458-V485 HydrophobicContact CG2-CG2 4.29Å; V458-L488 HydrophobicContact CB-CD1 4.12Å; V458-L488 HydrophobicContact CG1-CD1 4.45Å; V458-L488 HydrophobicContact CG2-CD1 4.04Å; V458-M504 HydrophobicContact CG1-CE 3.65Å; V458-M504 HydrophobicContact CG1-CG 4.44Å; V458-M504 HydrophobicContact CG2-CE 4.35Å; V458-A509 WeakPolarHBondContact O-CB 3.36Å; V458-V513 HydrophobicContact CG1-CB 4.27Å; V458-V513 HydrophobicContact CG1-CG1 4.5Å; V458-V513 HydrophobicContact CG1-CG2 4.25Å; V458-V513 HydrophobicContact CG2-CG1 4.27Å
459	T	90	Very high	91.9	Very high	62 Å²	62	49.8 Å²	49.8	38%	0.38	27%	0.269	S	S	.	.	H	α-helix	trans	-84.3	-21.9	-175.9	58.4	0	0	0	0	113.3	V455 H507	V455-T459 WeakPolarHBondContact O-CB 3.35Å; V455-T459 WeakPolarHBondContact O-CG2 3.24Å; V455-T459 PolarHBondContact O-N 2.7Å; V455-T459 PolarHBondContact O-OG1 3.05Å; T459-H507 PolarHBondContact O-CE1 2.82Å; T459-H507 VanDerWaalsContact O-CE1 3.24Å
460	D	89.8	Confident	91.9	Very high	79 Å²	79	48.5 Å²	48.5	42%	0.422	26%	0.263	S	S	.	.	S	Bend	trans	-82.1	126.6	173	178.8	-97.9	0	0	0	111.9	A456 A462 A463 S464	A456-D460 WeakPolarHBondContact O-CB 3.25Å; A456-D460 PolarHBondContact O-N 2.8Å; D460-A462 PolarHBondContact O-N 3.08Å; D460-A462 WeakPolarHBondContact OD1-CA 3.46Å; D460-A462 WeakPolarHBondContact OD1-CB 3.24Å; D460-A462 PolarHBondContact OD1-N 3.19Å; D460-A463 HydrophobicContact CB-CB 4.05Å; D460-A463 PolarHBondContact O-N 3.17Å; D460-A463 PolarHBondContact OD1-N 3.41Å; D460-S464 VanDerWaalsContact O-CB 3.24Å; D460-S464 WeakPolarHBondContact O-CB 3.45Å; D460-S464 PolarHBondContact O-N 3.06Å; D460-S464 PolarHBondContact O-OG 3.4Å
461	K	82.6	Confident	91.8	Very high	178 Å²	178	48.5 Å²	48.5	77%	0.774	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.4	-177.7	-175.9	178.9	179.7	-178.8	0	113.3	S464	K461-S464 PolarHBondContact O-OG 3.35Å
462	A	80.9	Confident	91.5	Very high	50 Å²	50	44.5 Å²	44.5	41%	0.413	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-33.3	-177.1	0	0	0	0	0	112.2	D460	D460-A462 PolarHBondContact O-N 3.08Å; D460-A462 WeakPolarHBondContact OD1-CA 3.46Å; D460-A462 WeakPolarHBondContact OD1-CB 3.24Å; D460-A462 PolarHBondContact OD1-N 3.19Å
463	A	86.3	Confident	91.4	Very high	25 Å²	25	40.3 Å²	40.3	21%	0.207	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-26.2	178	0	0	0	0	0	113.1	M457 D460 V465 T466 V467	M457-A463 HydrophobicContact CB-CB 4.48Å; M457-A463 CarbonylContact O-C 3.48Å; D460-A463 HydrophobicContact CB-CB 4.05Å; D460-A463 PolarHBondContact O-N 3.17Å; D460-A463 PolarHBondContact OD1-N 3.41Å; A463-V465 PolarHBondContact O-N 3.15Å; A463-T466 WeakPolarHBondContact O-CA 3.25Å; A463-T466 VanDerWaalsContact O-CB 3.25Å; A463-T466 WeakPolarHBondContact O-CB 3.46Å; A463-T466 PolarHBondContact O-N 3.46Å; A463-T466 PolarHBondContact O-OG1 3.21Å; A463-V467 PolarHBondContact O-N 3.42Å
464	S	88.1	Confident	91.4	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-30.5	-178.2	68.8	0	0	0	0	113	M457 D460 K461 T466 V467	M457-S464 VanDerWaalsContact O-CA 3.24Å; M457-S464 WeakPolarHBondContact O-CA 3.35Å; M457-S464 PolarHBondContact O-N 3.4Å; D460-S464 VanDerWaalsContact O-CB 3.24Å; D460-S464 WeakPolarHBondContact O-CB 3.45Å; D460-S464 PolarHBondContact O-N 3.06Å; D460-S464 PolarHBondContact O-OG 3.4Å; K461-S464 PolarHBondContact O-OG 3.35Å; S464-T466 VanDerWaalsContact C-N 3.35Å; S464-V467 WeakPolarHBondContact O-CB 3.16Å; S464-V467 PolarHBondContact O-N 2.99Å
465	V	85.5	Confident	91.3	Very high	57 Å²	57	38.9 Å²	38.9	35%	0.345	23%	0.225	S	C	.	.	H	α-helix	trans	-65.5	-40.7	173.9	-177.9	0	0	0	0	110.6	A463 V467 R468 D469	A463-V465 PolarHBondContact O-N 3.15Å; V465-V467 VanDerWaalsContact C-N 3.28Å; V465-V467 PolarHBondContact O-N 3.1Å; V465-R468 WeakPolarHBondContact O-CB 3.26Å; V465-R468 PolarHBondContact O-N 3.32Å; V465-D469 PolarHBondContact O-N 3.1Å
466	T	90.8	Very high	91.2	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-32.2	178.2	-43.8	0	0	0	0	112.3	L389 L399 A463 S464 R468 D469 I470	L389-T466 HydrophobicContact CD2-CG2 3.87Å; L399-T466 HydrophobicContact CD2-CG2 4.11Å; A463-T466 WeakPolarHBondContact O-CA 3.25Å; A463-T466 VanDerWaalsContact O-CB 3.25Å; A463-T466 WeakPolarHBondContact O-CB 3.46Å; A463-T466 PolarHBondContact O-N 3.46Å; A463-T466 PolarHBondContact O-OG1 3.21Å; S464-T466 VanDerWaalsContact C-N 3.35Å; T466-R468 VanDerWaalsContact C-N 3.29Å; T466-R468 PolarHBondContact O-N 3.35Å; T466-D469 PolarHBondContact O-N 3.24Å; T466-I470 HydrophobicContact CG2-CD1 3.88Å; T466-I470 HydrophobicContact CG2-CG1 4.18Å; T466-I470 VanDerWaalsContact O-CG1 3.26Å; T466-I470 WeakPolarHBondContact O-CG1 3.19Å; T466-I470 PolarHBondContact O-N 3.3Å
467	V	94.8	Very high	91.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-56.8	-46.4	176.8	178.1	0	0	0	0	110.7	L450 M457 V458 A463 S464 V465 I470 L471 V485 V513 L517	L450-V467 HydrophobicContact CD1-CB 4.4Å; L450-V467 HydrophobicContact CD1-CG1 3.96Å; L450-V467 HydrophobicContact CD1-CG2 3.88Å; L450-V467 HydrophobicContact CD2-CG1 4.11Å; M457-V467 HydrophobicContact CB-CG2 3.77Å; M457-V467 HydrophobicContact CE-CG2 4.24Å; V458-V467 HydrophobicContact CG2-CG2 4.37Å; A463-V467 PolarHBondContact O-N 3.42Å; S464-V467 WeakPolarHBondContact O-CB 3.16Å; S464-V467 PolarHBondContact O-N 2.99Å; V465-V467 VanDerWaalsContact C-N 3.28Å; V465-V467 PolarHBondContact O-N 3.1Å; V467-I470 PolarHBondContact O-N 3Å; V467-L471 HydrophobicContact CG1-CD1 4.18Å; V467-L471 PolarHBondContact O-N 2.9Å; V467-L471 VanDerWaalsContact O-N 3.08Å; V467-V485 HydrophobicContact CG1-CG2 4.3Å; V467-V513 HydrophobicContact CG1-CG1 3.99Å; V467-L517 HydrophobicContact CG1-CD1 4.46Å
468	R	91	Very high	91.2	Very high	103 Å²	103	38.2 Å²	38.2	39%	0.389	22%	0.223	S	C	.	.	H	α-helix	trans	-59.7	-52.2	177.2	-176.6	-167.8	164.2	-176.5	-5.7	110.8	V465 T466 I470 L471 A472 W516 Q520	V465-R468 WeakPolarHBondContact O-CB 3.26Å; V465-R468 PolarHBondContact O-N 3.32Å; T466-R468 VanDerWaalsContact C-N 3.29Å; T466-R468 PolarHBondContact O-N 3.35Å; R468-I470 VanDerWaalsContact C-N 3.32Å; R468-I470 PolarHBondContact O-N 2.78Å; R468-L471 PolarHBondContact O-N 3.24Å; R468-A472 WeakPolarHBondContact O-CB 3.48Å; R468-A472 PolarHBondContact O-N 3.15Å; R468-W516 HydrophobicContact CG-CB 4.43Å; R468-Q520 PolarHBondContact O-OE1 3.4Å
469	D	92.5	Very high	91.3	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.059	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-38.4	-178.9	-74.4	-83.1	0	0	0	113.4	L399 L402 S403 H409 V465 T466 A472 S473	L399-D469 HydrophobicContact CD2-CB 3.69Å; L402-D469 HydrophobicContact CD1-CB 4.07Å; S403-D469 PolarHBondContact OG-OD1 3.32Å; H409-D469 IonicContact CD2-OD1 3.49Å; H409-D469 IonicContact CE1-OD1 2.73Å; H409-D469 IonicContact CE1-OD2 3.63Å; H409-D469 PolarHBondContact CE1-OD2 3.21Å; H409-D469 IonicContact NE2-OD1 3.67Å; H409-D469 PolarHBondContact NE2-OD1 3.4Å; H409-D469 IonicContact NE2-OD2 3.26Å; H409-D469 PolarHBondContact NE2-OD2 3.29Å; V465-D469 PolarHBondContact O-N 3.1Å; T466-D469 PolarHBondContact O-N 3.24Å; D469-A472 PolarHBondContact O-N 2.94Å; D469-S473 WeakPolarHBondContact O-CB 3.36Å; D469-S473 PolarHBondContact O-N 3.41Å; D469-S473 PolarHBondContact O-OG 2.83Å; D469-S473 VanDerWaalsContact O-OG 3.14Å
470	I	96.2	Very high	91.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-54.1	175.8	-69.7	167.8	0	0	0	109.5	L402 L446 L447 L450 M457 T466 V467 R468 A472 S473 A474	L402-I470 HydrophobicContact CD1-CG1 3.74Å; L446-I470 HydrophobicContact CB-CD1 4.45Å; L446-I470 HydrophobicContact CB-CG1 4.44Å; L447-I470 HydrophobicContact CD2-CG2 3.78Å; L447-I470 HydrophobicContact CG-CG2 4.4Å; L450-I470 HydrophobicContact CD2-CB 4.39Å; L450-I470 HydrophobicContact CD2-CG2 3.96Å; M457-I470 HydrophobicContact CE-CD1 3.89Å; T466-I470 HydrophobicContact CG2-CD1 3.88Å; T466-I470 HydrophobicContact CG2-CG1 4.18Å; T466-I470 VanDerWaalsContact O-CG1 3.26Å; T466-I470 WeakPolarHBondContact O-CG1 3.19Å; T466-I470 PolarHBondContact O-N 3.3Å; V467-I470 PolarHBondContact O-N 3Å; R468-I470 VanDerWaalsContact C-N 3.32Å; R468-I470 PolarHBondContact O-N 2.78Å; I470-A472 PolarHBondContact O-N 3.3Å; I470-S473 PolarHBondContact O-N 3.36Å; I470-A474 HydrophobicContact CG2-CB 4.3Å; I470-A474 WeakPolarHBondContact O-CB 3.43Å; I470-A474 PolarHBondContact O-N 3.45Å
471	L	95.9	Very high	92.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-72	-19.2	-177.3	-65.8	178.6	0	0	0	113.1	L447 L450 V467 R468 L478 A481 M482 L517 Q520	L447-L471 HydrophobicContact CD2-CD2 4.15Å; L450-L471 HydrophobicContact CD2-CD1 4.08Å; L450-L471 HydrophobicContact CD2-CD2 3.85Å; L450-L471 HydrophobicContact CD2-CG 3.75Å; V467-L471 HydrophobicContact CG1-CD1 4.18Å; V467-L471 PolarHBondContact O-N 2.9Å; V467-L471 VanDerWaalsContact O-N 3.08Å; R468-L471 PolarHBondContact O-N 3.24Å; L471-L478 HydrophobicContact CD2-CB 4.39Å; L471-L478 HydrophobicContact CD2-CD2 4.42Å; L471-L478 WeakPolarHBondContact O-CD1 3.16Å; L471-A481 HydrophobicContact CD2-CB 3.96Å; L471-M482 HydrophobicContact CB-CE 4.45Å; L471-M482 HydrophobicContact CD1-CG 4.04Å; L471-M482 HydrophobicContact CD2-CG 3.89Å; L471-L517 HydrophobicContact CB-CD2 3.98Å; L471-L517 HydrophobicContact CD1-CD1 3.75Å; L471-L517 HydrophobicContact CD1-CD2 3.67Å; L471-L517 HydrophobicContact CD1-CG 4.38Å; L471-L517 HydrophobicContact CG-CD2 4.43Å; L471-Q520 PolarHBondContact O-NE2 3.04Å
472	A	92.3	Very high	92.8	Very high	12 Å²	12	32.1 Å²	32.1	10%	0.099	19%	0.19	C	C	.	.	H	α-helix	trans	-73.1	-48.7	172.8	0	0	0	0	0	111.4	R468 D469 I470 M523 R529	R468-A472 WeakPolarHBondContact O-CB 3.48Å; R468-A472 PolarHBondContact O-N 3.15Å; D469-A472 PolarHBondContact O-N 2.94Å; I470-A472 PolarHBondContact O-N 3.3Å; A472-M523 HydrophobicContact CB-CE 3.83Å; A472-R529 PolarHBondContact O-NH1 3.01Å
473	S	93.9	Very high	93.6	Very high	28 Å²	28	31.4 Å²	31.4	20%	0.196	18%	0.181	C	C	.	.	H	α-helix	trans	-114.3	-21.6	-159.6	-39.8	0	0	0	0	113.5	L402 S403 L439 D469 I470 C475	L402-S473 VanDerWaalsContact O-CB 3.26Å; L402-S473 WeakPolarHBondContact O-CB 2.99Å; L402-S473 PolarHBondContact O-OG 2.96Å; S403-S473 PolarHBondContact OG-OG 3.34Å; L439-S473 WeakPolarHBondContact CD2-O 3.44Å; D469-S473 WeakPolarHBondContact O-CB 3.36Å; D469-S473 PolarHBondContact O-N 3.41Å; D469-S473 PolarHBondContact O-OG 2.83Å; D469-S473 VanDerWaalsContact O-OG 3.14Å; I470-S473 PolarHBondContact O-N 3.36Å; S473-C475 PolarHBondContact O-N 3.3Å
474	A	96.1	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.			trans	-62.1	137.7	-176.5	0	0	0	0	0	111.6	L402 S443 L447 I470 L478 R529	L402-A474 HydrophobicContact CD2-CB 4.43Å; S443-A474 WeakPolarHBondContact OG-CA 3.43Å; L447-A474 HydrophobicContact CD1-CB 3.98Å; L447-A474 HydrophobicContact CD2-CB 3.92Å; L447-A474 HydrophobicContact CG-CB 3.87Å; I470-A474 HydrophobicContact CG2-CB 4.3Å; I470-A474 WeakPolarHBondContact O-CB 3.43Å; I470-A474 PolarHBondContact O-N 3.45Å; A474-L478 HydrophobicContact CB-CD2 4.19Å; A474-R529 PolarHBondContact O-NH1 3.18Å; A474-R529 VanDerWaalsContact O-NH1 3.1Å; A474-R529 PolarHBondContact O-NH2 3.4Å; A474-R529 VanDerWaalsContact O-NH2 3.08Å
475	C	94	Very high	94.6	Very high	40 Å²	40	30.5 Å²	30.5	27%	0.27	17%	0.173	S	C	.	.			trans	-80.4	154.9	172.4	-54.9	0	0	0	0	111.3	E440 S443 S473	E440-C475 HydrophobicContact CG-CB 4.39Å; S443-C475 VanDerWaalsContact CB-N 3.33Å; S443-C475 VanDerWaalsContact CB-O 3.28Å; S443-C475 WeakPolarHBondContact CB-O 3.24Å; S443-C475 PolarHBondContact OG-N 3.05Å; S473-C475 PolarHBondContact O-N 3.3Å
476	G	92.3	Very high	95.2	Very high	55 Å²	55	27.8 Å²	27.8	57%	0.567	16%	0.157	S	C	*	.	S	Bend	trans	91.4	-170.9	-179.2	0	0	0	0	0	112.9	L478 R529	G476-L478 PolarHBondContact O-N 2.94Å; G476-R529 PolarHBondContact O-NH2 3.29Å
477	D	93.6	Very high	95.6	Very high	92 Å²	92	33 Å²	33	49%	0.492	18%	0.181	S	C	.	.			trans	-71.4	114	-177	179.9	13	0	0	0	111.2	R479 P480	D477-R479 WeakPolarHBondContact OD1-CB 3.33Å; D477-R479 PolarHBondContact OD1-N 3.45Å; D477-P480 WeakPolarHBondContact OD1-CD 3.42Å; D477-P480 WeakPolarHBondContact OD2-CD 3.46Å
478	L	95.7	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.			trans	-82.4	-20.7	177.3	-58.1	-174	0	0	0	113.2	L447 L471 A474 G476 A481 M482 E531	L447-L478 HydrophobicContact CD1-CD2 4.04Å; L447-L478 HydrophobicContact CD2-CD2 3.56Å; L447-L478 HydrophobicContact CG-CD2 4.43Å; L471-L478 HydrophobicContact CD2-CB 4.39Å; L471-L478 HydrophobicContact CD2-CD2 4.42Å; L471-L478 WeakPolarHBondContact O-CD1 3.16Å; A474-L478 HydrophobicContact CB-CD2 4.19Å; G476-L478 PolarHBondContact O-N 2.94Å; L478-A481 PolarHBondContact O-N 3.4Å; L478-M482 HydrophobicContact CB-CE 4.15Å; L478-M482 HydrophobicContact CB-CG 4.21Å; L478-M482 HydrophobicContact CB-SD 3.96Å; L478-M482 HydrophobicContact CD1-CE 3.63Å; L478-M482 HydrophobicContact CD1-SD 4.48Å; L478-M482 PolarHBondContact O-N 3.42Å; L478-E531 HydrophobicContact CB-CG 4.49Å
479	R	95.7	Very high	95.9	Very high	132 Å²	132	30 Å²	30	50%	0.498	17%	0.173	S	C	.	.	H	α-helix	trans	-54.8	-45.4	-167.2	-176.7	-178.3	-68.1	-106.4	0	112	D477 A481 M482 T483 I536	D477-R479 WeakPolarHBondContact OD1-CB 3.33Å; D477-R479 PolarHBondContact OD1-N 3.45Å; R479-A481 VanDerWaalsContact C-N 3.31Å; R479-A481 PolarHBondContact O-N 3.38Å; R479-M482 PolarHBondContact O-N 3.17Å; R479-T483 WeakPolarHBondContact O-CB 3.15Å; R479-T483 PolarHBondContact O-N 3.25Å; R479-T483 PolarHBondContact O-OG1 3.48Å; R479-I536 HydrophobicContact CB-CD1 4.48Å; R479-I536 HydrophobicContact CG-CD1 4.12Å
480	P	97.8	Very high	96	Very high	58 Å²	58	33.4 Å²	33.4	38%	0.377	19%	0.191	S	C	.	.	H	α-helix	trans	-59.4	-38.7	178.7	-25.9	35.8	0	0	0	113.7	D477 A484	D477-P480 WeakPolarHBondContact OD1-CD 3.42Å; D477-P480 WeakPolarHBondContact OD2-CD 3.46Å; P480-A484 WeakPolarHBondContact O-CB 3.4Å; P480-A484 PolarHBondContact O-N 3.35Å; P480-A484 VanDerWaalsContact O-N 3.1Å
481	A	97.8	Very high	95.8	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	22%	0.216	C	C	.	.	H	α-helix	trans	-75.2	-42	178.7	0	0	0	0	0	111.6	L447 L450 R451 L471 L478 R479 A484 V485	L447-A481 HydrophobicContact CD2-CB 4.02Å; L450-A481 HydrophobicContact CD2-CB 4.1Å; L450-A481 HydrophobicContact CG-CB 4.27Å; R451-A481 HydrophobicContact CB-CB 4.45Å; L471-A481 HydrophobicContact CD2-CB 3.96Å; L478-A481 PolarHBondContact O-N 3.4Å; R479-A481 VanDerWaalsContact C-N 3.31Å; R479-A481 PolarHBondContact O-N 3.38Å; A481-A484 PolarHBondContact O-N 3.44Å; A481-V485 WeakPolarHBondContact O-CG2 3.42Å; A481-V485 PolarHBondContact O-N 3.29Å; A481-V485 VanDerWaalsContact O-N 3.08Å
482	M	97.9	Very high	95.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60	-46	173.4	-75.7	179.7	164.6	0	0	111.7	L471 L478 R479 A484 V485 A486 L524 E531 F533 I536	L471-M482 HydrophobicContact CB-CE 4.45Å; L471-M482 HydrophobicContact CD1-CG 4.04Å; L471-M482 HydrophobicContact CD2-CG 3.89Å; L478-M482 HydrophobicContact CB-CE 4.15Å; L478-M482 HydrophobicContact CB-CG 4.21Å; L478-M482 HydrophobicContact CB-SD 3.96Å; L478-M482 HydrophobicContact CD1-CE 3.63Å; L478-M482 HydrophobicContact CD1-SD 4.48Å; L478-M482 PolarHBondContact O-N 3.42Å; R479-M482 PolarHBondContact O-N 3.17Å; M482-A484 PolarHBondContact O-N 2.89Å; M482-V485 PolarHBondContact O-N 2.82Å; M482-A486 WeakPolarHBondContact O-CB 3.48Å; M482-A486 PolarHBondContact O-N 3.36Å; M482-L524 HydrophobicContact CE-CD1 3.78Å; M482-E531 HydrophobicContact SD-CB 4.06Å; M482-F533 HydrophobicContact CB-CD2 4.06Å; M482-F533 HydrophobicContact CE-CB 4.26Å; M482-F533 HydrophobicContact CG-CD2 4.1Å; M482-F533 HydrophobicContact SD-CB 4.4Å; M482-I536 HydrophobicContact CB-CD1 3.72Å; M482-I536 HydrophobicContact CB-CG2 4.37Å; M482-I536 HydrophobicContact CG-CD1 4.34Å; M482-I536 HydrophobicContact SD-CD1 3.65Å
483	T	98.1	Very high	95.8	Very high	36 Å²	36	44.2 Å²	44.2	22%	0.221	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-43.3	176.3	-61.6	0	0	0	0	111.1	R479 V485 A486 Q487	R479-T483 WeakPolarHBondContact O-CB 3.15Å; R479-T483 PolarHBondContact O-N 3.25Å; R479-T483 PolarHBondContact O-OG1 3.48Å; T483-V485 VanDerWaalsContact C-N 3.27Å; T483-V485 PolarHBondContact O-N 3.27Å; T483-A486 PolarHBondContact O-N 3.4Å; T483-Q487 HydrophobicContact CG2-CG 4.23Å; T483-Q487 WeakPolarHBondContact O-CB 3.25Å; T483-Q487 VanDerWaalsContact O-CG 3.24Å; T483-Q487 WeakPolarHBondContact O-CG 3.26Å; T483-Q487 PolarHBondContact O-N 3.08Å
484	A	98.2	Very high	95.8	Very high	10 Å²	10	46 Å²	46	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-36.3	176.5	0	0	0	0	0	112.5	R451 A454 P480 A481 M482 L488	R451-A484 HydrophobicContact CB-CB 4.44Å; R451-A484 HydrophobicContact CG-CB 3.99Å; A454-A484 HydrophobicContact CB-CB 4.28Å; P480-A484 WeakPolarHBondContact O-CB 3.4Å; P480-A484 PolarHBondContact O-N 3.35Å; P480-A484 VanDerWaalsContact O-N 3.1Å; A481-A484 PolarHBondContact O-N 3.44Å; M482-A484 PolarHBondContact O-N 2.89Å; A484-L488 WeakPolarHBondContact O-CG 3.21Å
485	V	97.8	Very high	95.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.9	-44.6	173.4	173.2	0	0	0	0	111.2	L450 A454 V458 V467 A481 M482 T483 Q487 L488 M504 V513 L517 F533	L450-V485 HydrophobicContact CD1-CG2 4.12Å; L450-V485 HydrophobicContact CG-CG2 4.45Å; A454-V485 HydrophobicContact CB-CG2 4.33Å; V458-V485 HydrophobicContact CG2-CG1 4.18Å; V458-V485 HydrophobicContact CG2-CG2 4.29Å; V467-V485 HydrophobicContact CG1-CG2 4.3Å; A481-V485 WeakPolarHBondContact O-CG2 3.42Å; A481-V485 PolarHBondContact O-N 3.29Å; A481-V485 VanDerWaalsContact O-N 3.08Å; M482-V485 PolarHBondContact O-N 2.82Å; T483-V485 VanDerWaalsContact C-N 3.27Å; T483-V485 PolarHBondContact O-N 3.27Å; V485-Q487 VanDerWaalsContact C-N 3.34Å; V485-Q487 PolarHBondContact O-N 3.46Å; V485-L488 WeakPolarHBondContact O-CB 3.3Å; V485-L488 WeakPolarHBondContact O-CG 3.43Å; V485-L488 PolarHBondContact O-N 2.94Å; V485-M504 HydrophobicContact CG1-CE 3.56Å; V485-M504 WeakPolarHBondContact O-CE 3.38Å; V485-V513 HydrophobicContact CG1-CG1 4.31Å; V485-L517 HydrophobicContact CG1-CD1 3.92Å; V485-F533 HydrophobicContact CB-CE2 4.2Å; V485-F533 HydrophobicContact CG1-CE2 3.93Å; V485-F533 HydrophobicContact CG1-CZ 4.01Å
486	A	97.9	Very high	95.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-36.9	178.5	0	0	0	0	0	112.9	M482 T483 L488 A489 F533 I536 L537 T540	M482-A486 WeakPolarHBondContact O-CB 3.48Å; M482-A486 PolarHBondContact O-N 3.36Å; T483-A486 PolarHBondContact O-N 3.4Å; A486-L488 PolarHBondContact O-N 2.97Å; A486-L488 VanDerWaalsContact O-N 3.15Å; A486-A489 WeakPolarHBondContact O-CB 2.89Å; A486-A489 PolarHBondContact O-N 2.85Å; A486-F533 HydrophobicContact CB-CE2 4.29Å; A486-I536 HydrophobicContact CB-CG2 4.19Å; A486-L537 HydrophobicContact CB-CD1 3.89Å; A486-T540 HydrophobicContact CB-CG2 4.06Å
487	Q	97.6	Very high	95.7	Very high	114 Å²	114	48.1 Å²	48.1	53%	0.533	26%	0.264	S	S	.	.	H	α-helix	trans	-58.6	-26.6	177	-80.1	174.6	0.8	0	0	113	T483 V485 A489 N490 T540	T483-Q487 HydrophobicContact CG2-CG 4.23Å; T483-Q487 WeakPolarHBondContact O-CB 3.25Å; T483-Q487 VanDerWaalsContact O-CG 3.24Å; T483-Q487 WeakPolarHBondContact O-CG 3.26Å; T483-Q487 PolarHBondContact O-N 3.08Å; V485-Q487 VanDerWaalsContact C-N 3.34Å; V485-Q487 PolarHBondContact O-N 3.46Å; Q487-A489 PolarHBondContact O-N 3.22Å; Q487-N490 WeakPolarHBondContact O-CB 3.15Å; Q487-N490 PolarHBondContact O-N 3.34Å; Q487-T540 HydrophobicContact CG-CG2 3.89Å
488	L	96.1	Very high	95.6	Very high	41 Å²	41	48.8 Å²	48.8	22%	0.215	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.3	176.3	-53.3	-174.1	0	0	0	113.1	A454 V455 V458 A484 V485 A486 M504	A454-L488 HydrophobicContact CB-CD1 4.01Å; A454-L488 HydrophobicContact CB-CG 4.46Å; V455-L488 HydrophobicContact CG2-CD1 4.36Å; V455-L488 HydrophobicContact CG2-CD2 3.45Å; V455-L488 VanDerWaalsContact CG2-CD2 3.45Å; V458-L488 HydrophobicContact CB-CD1 4.12Å; V458-L488 HydrophobicContact CG1-CD1 4.45Å; V458-L488 HydrophobicContact CG2-CD1 4.04Å; A484-L488 WeakPolarHBondContact O-CG 3.21Å; V485-L488 WeakPolarHBondContact O-CB 3.3Å; V485-L488 WeakPolarHBondContact O-CG 3.43Å; V485-L488 PolarHBondContact O-N 2.94Å; A486-L488 PolarHBondContact O-N 2.97Å; A486-L488 VanDerWaalsContact O-N 3.15Å; L488-M504 HydrophobicContact CB-CE 4.47Å; L488-M504 HydrophobicContact CB-CG 4.43Å; L488-M504 HydrophobicContact CB-SD 3.6Å; L488-M504 VanDerWaalsContact CB-SD 3.6Å
489	A	96.3	Very high	95.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	1.4	174.9	0	0	0	0	0	112.8	A486 Q487 Q491 H503 M504 L514 L537 V541 W549	A486-A489 WeakPolarHBondContact O-CB 2.89Å; A486-A489 PolarHBondContact O-N 2.85Å; Q487-A489 PolarHBondContact O-N 3.22Å; A489-Q491 PolarHBondContact O-N 2.92Å; A489-H503 PolarHBondContact O-NE2 3.38Å; A489-M504 HydrophobicContact CB-CB 4.16Å; A489-M504 HydrophobicContact CB-SD 3.8Å; A489-L514 HydrophobicContact CB-CD1 4.49Å; A489-L537 HydrophobicContact CB-CD1 4.26Å; A489-V541 HydrophobicContact CB-CG2 3.97Å; A489-W549 HydrophobicContact CB-CH2 4.01Å; A489-W549 HydrophobicContact CB-CZ2 3.74Å
490	N	95.6	Very high	95	Very high	82 Å²	82	55.9 Å²	55.9	44%	0.439	32%	0.323	S	S	.	.			trans	-85.4	59.3	-176.9	-170.5	18.9	0	0	0	112.1	Q487 T540 V541	Q487-N490 WeakPolarHBondContact O-CB 3.15Å; Q487-N490 PolarHBondContact O-N 3.34Å; N490-T540 HydrophobicContact CB-CG2 4.31Å; N490-T540 VanDerWaalsContact CG-O 3.27Å; N490-T540 PolarHBondContact ND2-O 3.21Å; N490-T540 PolarHBondContact OD1-O 3.05Å; N490-V541 HydrophobicContact CB-CG2 4.4Å
491	Q	92.3	Very high	94.7	Very high	112 Å²	112	60.5 Å²	60.5	52%	0.523	34%	0.34	S	S	.	.	S	Bend	trans	-152.9	155.1	172.9	65.5	-165.1	14.8	0	0	108.8	A489 L493 H503 T545	A489-Q491 PolarHBondContact O-N 2.92Å; Q491-L493 PolarHBondContact O-N 3.35Å; Q491-H503 VanDerWaalsContact CG-CD2 3.5Å; Q491-H503 WeakPolarHBondContact CG-CD2 3.42Å; Q491-H503 PolarHBondContact O-NE2 3.49Å; Q491-H503 VanDerWaalsContact O-NE2 3.15Å; Q491-T545 WeakPolarHBondContact O-CG2 3.38Å
492	E	91.8	Very high	94.5	Very high	127 Å²	127	63.3 Å²	63.3	59%	0.593	35%	0.354	S	S	*	.			trans	-63	137.1	176.8	-165.4	-173.6	167.4	0	0	110.5	V494 K551	E492-V494 PolarHBondContact O-N 3.35Å; E492-K551 IonicContact OE1-NZ 2.68Å
493	L	95.1	Very high	94.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.355	C	S	.	.			trans	-78.1	117.3	177.5	-170.2	149.2	0	0	0	110.4	Q491 P495 H503 A505 E506 S548 W549 V552	Q491-L493 PolarHBondContact O-N 3.35Å; L493-P495 HydrophobicContact CD2-CG 4.11Å; L493-H503 HydrophobicContact CD1-CB 4.09Å; L493-H503 HydrophobicContact CG-CB 3.94Å; L493-A505 HydrophobicContact CD1-CB 4.12Å; L493-E506 HydrophobicContact CD1-CB 4.43Å; L493-S548 WeakPolarHBondContact CB-OG 3.18Å; L493-S548 PolarHBondContact N-OG 2.7Å; L493-S548 VanDerWaalsContact N-OG 3.08Å; L493-W549 HydrophobicContact CD1-CB 4.37Å; L493-W549 HydrophobicContact CD1-CG 4.24Å; L493-V552 HydrophobicContact CD1-CG2 3.58Å; L493-V552 HydrophobicContact CD2-CB 4.43Å; L493-V552 HydrophobicContact CD2-CG1 3.8Å; L493-V552 HydrophobicContact CD2-CG2 3.74Å; L493-V552 HydrophobicContact CG-CG2 4.33Å
494	V	95.1	Very high	94.3	Very high	65 Å²	65	62.4 Å²	62.4	39%	0.394	35%	0.347	S	S	.	.			trans	-101.7	113.9	167.4	-179.3	0	0	0	0	108.5	E492 G496 G497 I498	E492-V494 PolarHBondContact O-N 3.35Å; V494-G496 PolarHBondContact O-N 3Å; V494-G497 WeakPolarHBondContact O-CA 3.4Å; V494-G497 PolarHBondContact O-N 3.37Å; V494-I498 HydrophobicContact CB-CD1 4.41Å; V494-I498 HydrophobicContact CB-CG1 4.14Å; V494-I498 HydrophobicContact CG1-CG1 4.38Å; V494-I498 HydrophobicContact CG2-CD1 4Å; V494-I498 HydrophobicContact CG2-CG1 4.25Å
495	P	93.9	Very high	94.2	Very high	69 Å²	69	61.9 Å²	61.9	45%	0.448	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	133.7	179.9	-27.7	35.9	0	0	0	112.5	L493 G497 K551 V552	L493-P495 HydrophobicContact CD2-CG 4.11Å; P495-G497 PolarHBondContact O-N 3.04Å; P495-K551 HydrophobicContact CG-CB 3.79Å; P495-K551 HydrophobicContact CG-CD 4.2Å; P495-V552 HydrophobicContact CB-CG1 3.7Å; P495-V552 HydrophobicContact CG-CG1 3.98Å
496	G	92.3	Very high	94.1	Very high	50 Å²	50	63.2 Å²	63.2	52%	0.515	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-1.9	-176.2	0	0	0	0	0	114.6	V494 E506	V494-G496 PolarHBondContact O-N 3Å; G496-E506 PolarHBondContact N-OE1 3.24Å; G496-E506 PolarHBondContact N-OE2 3.21Å; G496-E506 VanDerWaalsContact N-OE2 3.11Å
497	G	93.3	Very high	94.1	Very high	20 Å²	20	65.1 Å²	65.1	21%	0.206	36%	0.358	C	S	.	.			trans	77.1	178.2	173.6	0	0	0	0	0	115.5	V494 P495 Q501	V494-G497 WeakPolarHBondContact O-CA 3.4Å; V494-G497 PolarHBondContact O-N 3.37Å; P495-G497 PolarHBondContact O-N 3.04Å; G497-Q501 CarbonylContact C-O 3.56Å; G497-Q501 WeakPolarHBondContact CA-O 3.3Å
498	I	92.6	Very high	93.9	Very high	107 Å²	107	62.6 Å²	62.6	55%	0.549	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-115.8	127.1	-179	-58.7	174	0	0	0	108.3	V494 G500 Q501	V494-I498 HydrophobicContact CB-CD1 4.41Å; V494-I498 HydrophobicContact CB-CG1 4.14Å; V494-I498 HydrophobicContact CG1-CG1 4.38Å; V494-I498 HydrophobicContact CG2-CD1 4Å; V494-I498 HydrophobicContact CG2-CG1 4.25Å; I498-G500 PolarHBondContact O-N 3.34Å; I498-G500 VanDerWaalsContact O-N 3.15Å; I498-Q501 PolarHBondContact N-O 3.42Å; I498-Q501 PolarHBondContact O-N 3.48Å
499	K	90.3	Very high	93.8	Very high	204 Å²	204	61 Å²	61	89%	0.887	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	36.4	-179.9	-62.2	174.3	-179.7	175.5	0	113.2	Q501	K499-Q501 VanDerWaalsContact C-N 3.27Å; K499-Q501 PolarHBondContact O-N 2.87Å
500	G	87.7	Confident	93.8	Very high	76 Å²	76	61 Å²	61	78%	0.784	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	6.1	-179.9	0	0	0	0	0	115.1	I498	I498-G500 PolarHBondContact O-N 3.34Å; I498-G500 VanDerWaalsContact O-N 3.15Å
501	Q	90.5	Very high	93.8	Very high	156 Å²	156	58.5 Å²	58.5	73%	0.729	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-100.4	117.2	172.6	-63.5	-175.8	-4.6	0	0	109.6	G497 I498 K499	G497-Q501 CarbonylContact C-O 3.56Å; G497-Q501 WeakPolarHBondContact CA-O 3.3Å; I498-Q501 PolarHBondContact N-O 3.42Å; I498-Q501 PolarHBondContact O-N 3.48Å; K499-Q501 VanDerWaalsContact C-N 3.27Å; K499-Q501 PolarHBondContact O-N 2.87Å
502	L	94.7	Very high	93.9	Very high	61 Å²	61	56 Å²	56	32%	0.319	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-76.6	145.8	177.1	-65.4	177	0	0	0	110.9	E506 H507	L502-E506 HydrophobicContact CD2-CG 4.42Å; L502-H507 HydrophobicContact CB-CB 4.34Å
503	H	96.2	Very high	94.1	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.023	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-58	148.7	168.2	-175.8	-89.6	0	0	0	111	A489 Q491 L493 A505 E506 H507 W549	A489-H503 PolarHBondContact O-NE2 3.38Å; Q491-H503 VanDerWaalsContact CG-CD2 3.5Å; Q491-H503 WeakPolarHBondContact CG-CD2 3.42Å; Q491-H503 PolarHBondContact O-NE2 3.49Å; Q491-H503 VanDerWaalsContact O-NE2 3.15Å; L493-H503 HydrophobicContact CD1-CB 4.09Å; L493-H503 HydrophobicContact CG-CB 3.94Å; H503-A505 VanDerWaalsContact C-N 3.31Å; H503-A505 WeakPolarHBondContact ND1-CB 3.36Å; H503-A505 PolarHBondContact ND1-N 3.39Å; H503-A505 PolarHBondContact O-N 2.89Å; H503-E506 HydrophobicContact CB-CB 4.33Å; H503-E506 CarbonylContact O-C 3.27Å; H503-E506 WeakPolarHBondContact O-CA 3.49Å; H503-E506 PolarHBondContact O-N 3.36Å; H503-H507 WeakPolarHBondContact O-CB 3.43Å; H503-H507 PolarHBondContact O-N 3.44Å; H503-W549 AromaticContact CE1-CE2 3.77Å; H503-W549 AromaticContact CE1-NE1 3.43Å; H503-W549 PolarHBondContact CE1-NE1 3.38Å; H503-W549 AromaticContact NE2-NE1 3.92Å
504	M	95.3	Very high	94.2	Very high	11 Å²	11	50.1 Å²	50.1	5%	0.054	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-44.4	-178.2	-173	-173.6	-173.2	0	0	112.9	V458 V485 L488 A489 E506 H507 G510 H511 L514	V458-M504 HydrophobicContact CG1-CE 3.65Å; V458-M504 HydrophobicContact CG1-CG 4.44Å; V458-M504 HydrophobicContact CG2-CE 4.35Å; V485-M504 HydrophobicContact CG1-CE 3.56Å; V485-M504 WeakPolarHBondContact O-CE 3.38Å; L488-M504 HydrophobicContact CB-CE 4.47Å; L488-M504 HydrophobicContact CB-CG 4.43Å; L488-M504 HydrophobicContact CB-SD 3.6Å; L488-M504 VanDerWaalsContact CB-SD 3.6Å; A489-M504 HydrophobicContact CB-CB 4.16Å; A489-M504 HydrophobicContact CB-SD 3.8Å; M504-E506 PolarHBondContact O-N 3.1Å; M504-H507 PolarHBondContact O-N 2.91Å; M504-G510 CarbonylContact O-C 3.51Å; M504-G510 VanDerWaalsContact O-C 3.27Å; M504-H511 PolarHBondContact O-N 3.02Å; M504-L514 HydrophobicContact CE-CD1 4.45Å; M504-L514 HydrophobicContact CE-CD2 3.41Å; M504-L514 VanDerWaalsContact CE-CD2 3.41Å; M504-L514 HydrophobicContact CE-CG 3.7Å; M504-L514 HydrophobicContact CG-CD1 4Å; M504-L514 HydrophobicContact CG-CG 4.2Å; M504-L514 HydrophobicContact SD-CD1 4.04Å; M504-L514 HydrophobicContact SD-CD2 3.68Å; M504-L514 HydrophobicContact SD-CG 3.93Å
505	A	96.2	Very high	94.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.3	176.7	0	0	0	0	0	114.3	L493 H503 H511 L514 W549 R554 G555	L493-A505 HydrophobicContact CD1-CB 4.12Å; H503-A505 VanDerWaalsContact C-N 3.31Å; H503-A505 WeakPolarHBondContact ND1-CB 3.36Å; H503-A505 PolarHBondContact ND1-N 3.39Å; H503-A505 PolarHBondContact O-N 2.89Å; A505-H511 WeakPolarHBondContact O-CB 3.49Å; A505-L514 HydrophobicContact CB-CD1 4.19Å; A505-W549 HydrophobicContact CB-CD2 3.79Å; A505-W549 HydrophobicContact CB-CE3 3.94Å; A505-W549 HydrophobicContact CB-CG 4.18Å; A505-W549 HydrophobicContact CB-CZ2 4.43Å; A505-W549 HydrophobicContact CB-CZ3 4.33Å; A505-R554 CarbonylContact O-C 3.54Å; A505-R554 VanDerWaalsContact O-C 3.31Å; A505-R554 VanDerWaalsContact O-CB 3.24Å; A505-R554 WeakPolarHBondContact O-CB 3.49Å; A505-G555 PolarHBondContact O-N 2.97Å
506	E	96.6	Very high	94.4	Very high	28 Å²	28	49.6 Å²	49.6	13%	0.131	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-20	173.5	-164	178.4	-175.3	0	0	112.5	L493 G496 L502 H503 M504 V552 R554	L493-E506 HydrophobicContact CD1-CB 4.43Å; G496-E506 PolarHBondContact N-OE1 3.24Å; G496-E506 PolarHBondContact N-OE2 3.21Å; G496-E506 VanDerWaalsContact N-OE2 3.11Å; L502-E506 HydrophobicContact CD2-CG 4.42Å; H503-E506 HydrophobicContact CB-CB 4.33Å; H503-E506 CarbonylContact O-C 3.27Å; H503-E506 WeakPolarHBondContact O-CA 3.49Å; H503-E506 PolarHBondContact O-N 3.36Å; M504-E506 PolarHBondContact O-N 3.1Å; E506-V552 HydrophobicContact CB-CG2 4.19Å; E506-V552 HydrophobicContact CG-CB 4.28Å; E506-V552 HydrophobicContact CG-CG1 4.31Å; E506-V552 HydrophobicContact CG-CG2 4.09Å; E506-R554 WeakPolarHBondContact O-CD 3.46Å; E506-R554 PolarHBondContact O-NH1 3.35Å
507	H	95.9	Very high	94.6	Very high	39 Å²	39	47.2 Å²	47.2	18%	0.181	25%	0.252	C	S	.	.	S	Bend	trans	-65.1	134.9	-176	-172.2	-91.5	0	0	0	111.3	T459 L502 H503 M504 A509 G510 H511	T459-H507 PolarHBondContact O-CE1 2.82Å; T459-H507 VanDerWaalsContact O-CE1 3.24Å; L502-H507 HydrophobicContact CB-CB 4.34Å; H503-H507 WeakPolarHBondContact O-CB 3.43Å; H503-H507 PolarHBondContact O-N 3.44Å; M504-H507 PolarHBondContact O-N 2.91Å; H507-A509 VanDerWaalsContact C-N 3.31Å; H507-A509 PolarHBondContact ND1-N 3.26Å; H507-A509 PolarHBondContact O-N 3.44Å; H507-G510 PolarHBondContact ND1-N 2.85Å; H507-G510 VanDerWaalsContact ND1-N 3.13Å; H507-G510 PolarHBondContact O-N 3.08Å; H507-G510 VanDerWaalsContact O-N 3.11Å; H507-H511 PolarHBondContact O-N 2.67Å; H507-H511 PolarHBondContact O-ND1 3.19Å
508	P	94.1	Very high	94.8	Very high	61 Å²	61	46.5 Å²	46.5	40%	0.396	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-34.3	-175.2	21.5	-34.3	0	0	0	114.5	H511	P508-H511 PolarHBondContact O-CE1 3.34Å; P508-H511 PolarHBondContact O-ND1 2.7Å
509	A	94.1	Very high	94.9	Very high	9 Å²	9	46.2 Å²	46.2	7%	0.074	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-32.9	171.6	0	0	0	0	0	112.4	V458 H507 L512 V513	V458-A509 WeakPolarHBondContact O-CB 3.36Å; H507-A509 VanDerWaalsContact C-N 3.31Å; H507-A509 PolarHBondContact ND1-N 3.26Å; H507-A509 PolarHBondContact O-N 3.44Å; A509-L512 PolarHBondContact O-N 3.12Å; A509-V513 PolarHBondContact O-N 3.1Å; A509-V513 VanDerWaalsContact O-N 3.1Å
510	G	95.6	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69	-44.9	-170.6	0	0	0	0	0	112.4	M504 H507 L512 V513 L514	M504-G510 CarbonylContact O-C 3.51Å; M504-G510 VanDerWaalsContact O-C 3.27Å; H507-G510 PolarHBondContact ND1-N 2.85Å; H507-G510 VanDerWaalsContact ND1-N 3.13Å; H507-G510 PolarHBondContact O-N 3.08Å; H507-G510 VanDerWaalsContact O-N 3.11Å; G510-L512 PolarHBondContact O-N 2.87Å; G510-V513 PolarHBondContact O-N 3.22Å; G510-V513 VanDerWaalsContact O-N 3.15Å; G510-L514 PolarHBondContact O-N 3.23Å
511	H	95.8	Very high	95.5	Very high	28 Å²	28	33.3 Å²	33.3	13%	0.13	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-31.7	177.8	82.8	-73.6	0	0	0	112.3	M504 A505 H507 P508 K515 R554 V558	M504-H511 PolarHBondContact O-N 3.02Å; A505-H511 WeakPolarHBondContact O-CB 3.49Å; H507-H511 PolarHBondContact O-N 2.67Å; H507-H511 PolarHBondContact O-ND1 3.19Å; P508-H511 PolarHBondContact O-CE1 3.34Å; P508-H511 PolarHBondContact O-ND1 2.7Å; H511-K515 VanDerWaalsContact O-CB 3.3Å; H511-K515 WeakPolarHBondContact O-CB 3.49Å; H511-K515 PolarHBondContact O-N 3.23Å; H511-R554 HydrophobicContact CB-CB 4.02Å; H511-V558 HydrophobicContact CB-CG2 3.92Å
512	L	95.4	Very high	95.7	Very high	61 Å²	61	27.7 Å²	27.7	32%	0.319	14%	0.143	S	C	.	.	H	α-helix	trans	-68.6	-42.5	174.8	-67.9	177.5	0	0	0	110.9	A509 G510 K515 W516	A509-L512 PolarHBondContact O-N 3.12Å; G510-L512 PolarHBondContact O-N 2.87Å; L512-K515 PolarHBondContact O-N 3.29Å; L512-W516 HydrophobicContact CB-CD2 4.31Å; L512-W516 HydrophobicContact CB-CE3 4.42Å; L512-W516 HydrophobicContact CB-CH2 3.98Å; L512-W516 HydrophobicContact CB-CZ2 3.84Å; L512-W516 HydrophobicContact CB-CZ3 4.27Å; L512-W516 HydrophobicContact CD1-CH2 4.25Å; L512-W516 HydrophobicContact CD1-CZ2 4.08Å; L512-W516 HydrophobicContact CG-CZ2 4.37Å; L512-W516 WeakPolarHBondContact O-CB 3.45Å; L512-W516 PolarHBondContact O-N 3.21Å
513	V	96.6	Very high	95.5	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-60.1	-48.6	174.8	174.5	0	0	0	0	110.7	V458 V467 V485 A509 G510 K515 W516 L517	V458-V513 HydrophobicContact CG1-CB 4.27Å; V458-V513 HydrophobicContact CG1-CG1 4.5Å; V458-V513 HydrophobicContact CG1-CG2 4.25Å; V458-V513 HydrophobicContact CG2-CG1 4.27Å; V467-V513 HydrophobicContact CG1-CG1 3.99Å; V485-V513 HydrophobicContact CG1-CG1 4.31Å; A509-V513 PolarHBondContact O-N 3.1Å; A509-V513 VanDerWaalsContact O-N 3.1Å; G510-V513 PolarHBondContact O-N 3.22Å; G510-V513 VanDerWaalsContact O-N 3.15Å; V513-K515 VanDerWaalsContact C-N 3.33Å; V513-K515 PolarHBondContact O-N 3.09Å; V513-W516 PolarHBondContact O-N 2.96Å; V513-L517 HydrophobicContact CG1-CD1 3.7Å; V513-L517 HydrophobicContact CG1-CG 4.17Å; V513-L517 WeakPolarHBondContact O-CB 3.41Å; V513-L517 VanDerWaalsContact O-CG 3.25Å; V513-L517 WeakPolarHBondContact O-CG 3.44Å; V513-L517 PolarHBondContact O-N 3.43Å
514	L	97.3	Very high	95.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-55.1	-50.9	176.6	-70	178.4	0	0	0	111.2	A489 M504 A505 G510 L517 I518 F533 L537 W549 V558	A489-L514 HydrophobicContact CB-CD1 4.49Å; M504-L514 HydrophobicContact CE-CD1 4.45Å; M504-L514 HydrophobicContact CE-CD2 3.41Å; M504-L514 VanDerWaalsContact CE-CD2 3.41Å; M504-L514 HydrophobicContact CE-CG 3.7Å; M504-L514 HydrophobicContact CG-CD1 4Å; M504-L514 HydrophobicContact CG-CG 4.2Å; M504-L514 HydrophobicContact SD-CD1 4.04Å; M504-L514 HydrophobicContact SD-CD2 3.68Å; M504-L514 HydrophobicContact SD-CG 3.93Å; A505-L514 HydrophobicContact CB-CD1 4.19Å; G510-L514 PolarHBondContact O-N 3.23Å; L514-L517 PolarHBondContact O-N 3Å; L514-I518 WeakPolarHBondContact O-CD1 3.19Å; L514-I518 VanDerWaalsContact O-CG1 3.24Å; L514-I518 WeakPolarHBondContact O-CG1 3.45Å; L514-I518 PolarHBondContact O-N 2.88Å; L514-F533 HydrophobicContact CD2-CE1 3.82Å; L514-F533 HydrophobicContact CD2-CZ 3.7Å; L514-L537 HydrophobicContact CD2-CD1 3.96Å; L514-L537 HydrophobicContact CD2-CD2 4.08Å; L514-W549 HydrophobicContact CD1-CH2 4.42Å; L514-V558 HydrophobicContact CB-CG1 3.96Å; L514-V558 HydrophobicContact CB-CG2 4.2Å; L514-V558 HydrophobicContact CD1-CG1 4.14Å; L514-V558 HydrophobicContact CD1-CG2 4.38Å
515	K	96.5	Very high	95.2	Very high	60 Å²	60	29.3 Å²	29.3	26%	0.261	16%	0.157	S	C	.	.	H	α-helix	trans	-58.9	-49.9	179.3	173.2	167.5	178.2	-175.7	0	112.2	H511 L512 V513 L517 I518 E519 S561	H511-K515 VanDerWaalsContact O-CB 3.3Å; H511-K515 WeakPolarHBondContact O-CB 3.49Å; H511-K515 PolarHBondContact O-N 3.23Å; L512-K515 PolarHBondContact O-N 3.29Å; V513-K515 VanDerWaalsContact C-N 3.33Å; V513-K515 PolarHBondContact O-N 3.09Å; K515-L517 VanDerWaalsContact C-N 3.32Å; K515-L517 PolarHBondContact O-N 3.45Å; K515-I518 PolarHBondContact O-N 3.3Å; K515-E519 WeakPolarHBondContact CE-OE1 3.37Å; K515-E519 HydrophobicContact CG-CG 4.46Å; K515-E519 IonicContact NZ-OE1 3.79Å; K515-E519 WeakPolarHBondContact O-CG 3.23Å; K515-E519 PolarHBondContact O-N 2.63Å; K515-S561 WeakPolarHBondContact CG-OG 3.32Å
516	W	95.3	Very high	95	Very high	63 Å²	63	37.2 Å²	37.2	24%	0.239	19%	0.193	C	C	.	.	H	α-helix	trans	-62.3	-39.5	-179.4	-65.2	-27	0	0	0	112.3	R468 L512 V513 E519 Q520	R468-W516 HydrophobicContact CG-CB 4.43Å; L512-W516 HydrophobicContact CB-CD2 4.31Å; L512-W516 HydrophobicContact CB-CE3 4.42Å; L512-W516 HydrophobicContact CB-CH2 3.98Å; L512-W516 HydrophobicContact CB-CZ2 3.84Å; L512-W516 HydrophobicContact CB-CZ3 4.27Å; L512-W516 HydrophobicContact CD1-CH2 4.25Å; L512-W516 HydrophobicContact CD1-CZ2 4.08Å; L512-W516 HydrophobicContact CG-CZ2 4.37Å; L512-W516 WeakPolarHBondContact O-CB 3.45Å; L512-W516 PolarHBondContact O-N 3.21Å; V513-W516 PolarHBondContact O-N 2.96Å; W516-E519 PolarHBondContact O-N 2.8Å; W516-Q520 WeakPolarHBondContact O-CB 3.44Å; W516-Q520 PolarHBondContact O-N 3.42Å
517	L	96.6	Very high	94.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-70.9	-35.5	179.2	-66.1	177.7	0	0	0	112.1	V467 L471 V485 V513 L514 K515 Q520 D521 F533	V467-L517 HydrophobicContact CG1-CD1 4.46Å; L471-L517 HydrophobicContact CB-CD2 3.98Å; L471-L517 HydrophobicContact CD1-CD1 3.75Å; L471-L517 HydrophobicContact CD1-CD2 3.67Å; L471-L517 HydrophobicContact CD1-CG 4.38Å; L471-L517 HydrophobicContact CG-CD2 4.43Å; V485-L517 HydrophobicContact CG1-CD1 3.92Å; V513-L517 HydrophobicContact CG1-CD1 3.7Å; V513-L517 HydrophobicContact CG1-CG 4.17Å; V513-L517 WeakPolarHBondContact O-CB 3.41Å; V513-L517 VanDerWaalsContact O-CG 3.25Å; V513-L517 WeakPolarHBondContact O-CG 3.44Å; V513-L517 PolarHBondContact O-N 3.43Å; L514-L517 PolarHBondContact O-N 3Å; K515-L517 VanDerWaalsContact C-N 3.32Å; K515-L517 PolarHBondContact O-N 3.45Å; L517-Q520 PolarHBondContact O-N 2.84Å; L517-D521 PolarHBondContact O-N 2.87Å; L517-F533 HydrophobicContact CB-CB 4.01Å; L517-F533 HydrophobicContact CB-CD1 3.27Å; L517-F533 HydrophobicContact CB-CD2 4.14Å; L517-F533 HydrophobicContact CB-CE1 3.7Å; L517-F533 HydrophobicContact CB-CG 3.52Å; L517-F533 HydrophobicContact CB-CZ 4.31Å; L517-F533 HydrophobicContact CD1-CD1 4.23Å; L517-F533 HydrophobicContact CD1-CD2 3.9Å; L517-F533 HydrophobicContact CD1-CE1 4.06Å; L517-F533 HydrophobicContact CD1-CE2 3.73Å; L517-F533 HydrophobicContact CD1-CG 4.15Å; L517-F533 HydrophobicContact CD1-CZ 3.81Å; L517-F533 HydrophobicContact CG-CD1 4.4Å; L517-F533 HydrophobicContact CG-CG 4.44Å
518	I	97.6	Very high	94.3	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-47.8	171.4	-65.9	157.7	0	0	0	110.4	L514 K515 Q520 D521 F533 L537 V558 S561 L562	L514-I518 WeakPolarHBondContact O-CD1 3.19Å; L514-I518 VanDerWaalsContact O-CG1 3.24Å; L514-I518 WeakPolarHBondContact O-CG1 3.45Å; L514-I518 PolarHBondContact O-N 2.88Å; K515-I518 PolarHBondContact O-N 3.3Å; I518-Q520 PolarHBondContact O-N 3.29Å; I518-D521 WeakPolarHBondContact O-CB 3.2Å; I518-D521 PolarHBondContact O-N 3.09Å; I518-F533 HydrophobicContact CG1-CD1 4.12Å; I518-F533 HydrophobicContact CG1-CE1 4.45Å; I518-L537 HydrophobicContact CD1-CD2 4.16Å; I518-V558 HydrophobicContact CD1-CG1 3.98Å; I518-S561 WeakPolarHBondContact CG2-O 3.43Å; I518-L562 HydrophobicContact CD1-CD2 3.69Å; I518-L562 HydrophobicContact CD1-CG 3.72Å; I518-L562 HydrophobicContact CG1-CD2 3.9Å; I518-L562 HydrophobicContact CG1-CG 4.47Å; I518-L562 HydrophobicContact CG2-CD2 4.39Å
519	E	94.9	Very high	94.1	Very high	102 Å²	102	41.4 Å²	41.4	48%	0.477	23%	0.227	S	C	.	.	H	α-helix	trans	-64.9	-30.2	179.2	-71	171.2	165.7	0	0	112.4	K515 W516 D521	K515-E519 WeakPolarHBondContact CE-OE1 3.37Å; K515-E519 HydrophobicContact CG-CG 4.46Å; K515-E519 IonicContact NZ-OE1 3.79Å; K515-E519 WeakPolarHBondContact O-CG 3.23Å; K515-E519 PolarHBondContact O-N 2.63Å; W516-E519 PolarHBondContact O-N 2.8Å; E519-D521 VanDerWaalsContact C-N 3.26Å; E519-D521 PolarHBondContact O-N 3Å
520	Q	94.1	Very high	93.8	Very high	9 Å²	9	49.4 Å²	49.4	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-70.6	-19.6	179	-173.3	-178.6	-64.6	0	0	113.2	R468 L471 W516 L517 I518 A522 M523 L524	R468-Q520 PolarHBondContact O-OE1 3.4Å; L471-Q520 PolarHBondContact O-NE2 3.04Å; W516-Q520 WeakPolarHBondContact O-CB 3.44Å; W516-Q520 PolarHBondContact O-N 3.42Å; L517-Q520 PolarHBondContact O-N 2.84Å; I518-Q520 PolarHBondContact O-N 3.29Å; Q520-A522 PolarHBondContact O-N 3.2Å; Q520-A522 VanDerWaalsContact O-N 3.17Å; Q520-M523 HydrophobicContact CG-CE 3.94Å; Q520-M523 WeakPolarHBondContact O-CB 3.09Å; Q520-M523 PolarHBondContact O-N 3.43Å; Q520-L524 HydrophobicContact CG-CG 4.28Å; Q520-L524 PolarHBondContact O-N 3.01Å
521	D	96	Very high	93.5	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.3	-33.2	179.2	-79.2	-13.8	0	0	0	112.9	L517 I518 E519 L524 A525 R532 F533 S534 C566	L517-D521 PolarHBondContact O-N 2.87Å; I518-D521 WeakPolarHBondContact O-CB 3.2Å; I518-D521 PolarHBondContact O-N 3.09Å; E519-D521 VanDerWaalsContact C-N 3.26Å; E519-D521 PolarHBondContact O-N 3Å; D521-L524 PolarHBondContact O-N 3Å; D521-A525 WeakPolarHBondContact O-CB 3.4Å; D521-A525 PolarHBondContact O-N 3.1Å; D521-R532 WeakPolarHBondContact OD1-CA 3.29Å; D521-F533 PolarHBondContact OD1-N 3.29Å; D521-F533 PolarHBondContact OD2-N 2.78Å; D521-S534 WeakPolarHBondContact OD2-CB 3.38Å; D521-S534 PolarHBondContact OD2-N 3.06Å; D521-S534 PolarHBondContact OD2-OG 3.46Å; D521-C566 VanDerWaalsContact C-SG 3.5Å; D521-C566 VanDerWaalsContact CB-SG 3.57Å
522	A	94.3	Very high	93.5	Very high	38 Å²	38	51.9 Å²	51.9	31%	0.314	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-44.8	175.9	0	0	0	0	0	111.6	Q520 A525 E526 C566	Q520-A522 PolarHBondContact O-N 3.2Å; Q520-A522 VanDerWaalsContact O-N 3.17Å; A522-A525 WeakPolarHBondContact O-CB 3.29Å; A522-A525 PolarHBondContact O-N 2.9Å; A522-E526 WeakPolarHBondContact O-CG 3.45Å; A522-E526 PolarHBondContact O-N 3.3Å; A522-C566 HydrophobicContact CB-CB 4.16Å; A522-C566 PolarHBondContact N-SG 3.36Å; A522-C566 VanDerWaalsContact N-SG 3.42Å
523	M	91.8	Very high	93.6	Very high	69 Å²	69	49 Å²	49	34%	0.34	26%	0.257	S	S	.	.	H	α-helix	trans	-64.7	-42.1	176.1	-171.3	-160.5	79.3	0	0	111.1	A472 Q520 A525 E526 D527	A472-M523 HydrophobicContact CB-CE 3.83Å; Q520-M523 HydrophobicContact CG-CE 3.94Å; Q520-M523 WeakPolarHBondContact O-CB 3.09Å; Q520-M523 PolarHBondContact O-N 3.43Å; M523-A525 PolarHBondContact O-N 3.18Å; M523-E526 PolarHBondContact O-N 3.11Å; M523-D527 WeakPolarHBondContact O-CB 3.38Å; M523-D527 PolarHBondContact O-N 3.34Å
524	L	92.5	Very high	93.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-34.5	175.6	-63.2	175.6	0	0	0	111.7	M482 Q520 D521 G528 R529	M482-L524 HydrophobicContact CE-CD1 3.78Å; Q520-L524 HydrophobicContact CG-CG 4.28Å; Q520-L524 PolarHBondContact O-N 3.01Å; D521-L524 PolarHBondContact O-N 3Å; L524-G528 PolarHBondContact O-N 3.29Å; L524-R529 HydrophobicContact CB-CB 4.29Å; L524-R529 WeakPolarHBondContact O-CB 3.49Å; L524-R529 PolarHBondContact O-N 3.27Å
525	A	92.4	Very high	93.7	Very high	42 Å²	42	51 Å²	51	35%	0.347	27%	0.265	S	S	.	.	H	α-helix	trans	-69	-43.9	175.6	0	0	0	0	0	112.9	D521 A522 M523 D527 G528	D521-A525 WeakPolarHBondContact O-CB 3.4Å; D521-A525 PolarHBondContact O-N 3.1Å; A522-A525 WeakPolarHBondContact O-CB 3.29Å; A522-A525 PolarHBondContact O-N 2.9Å; M523-A525 PolarHBondContact O-N 3.18Å; A525-D527 VanDerWaalsContact C-N 3.26Å; A525-D527 PolarHBondContact O-N 3.35Å; A525-G528 PolarHBondContact O-N 3.44Å
526	E	92.4	Very high	93.8	Very high	165 Å²	165	48.5 Å²	48.5	77%	0.771	25%	0.254	S	S	*	.	H	α-helix	trans	-60.7	-37.8	174.3	-71.8	174	-177	0	0	111.7	A522 M523 G528	A522-E526 WeakPolarHBondContact O-CG 3.45Å; A522-E526 PolarHBondContact O-N 3.3Å; M523-E526 PolarHBondContact O-N 3.11Å; E526-G528 PolarHBondContact O-N 3.23Å
527	D	87.9	Confident	93.9	Very high	106 Å²	106	45.5 Å²	45.5	57%	0.567	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	2.4	174.9	-71.6	-21.2	0	0	0	113.6	M523 A525 R529	M523-D527 WeakPolarHBondContact O-CB 3.38Å; M523-D527 PolarHBondContact O-N 3.34Å; A525-D527 VanDerWaalsContact C-N 3.26Å; A525-D527 PolarHBondContact O-N 3.35Å; D527-R529 VanDerWaalsContact C-N 3.3Å; D527-R529 HydrophobicContact CB-CG 4.32Å; D527-R529 PolarHBondContact O-N 2.97Å
528	G	90.1	Very high	94	Very high	66 Å²	66	45.5 Å²	45.5	68%	0.68	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	18	177.3	0	0	0	0	0	114.8	L524 A525 E526	L524-G528 PolarHBondContact O-N 3.29Å; A525-G528 PolarHBondContact O-N 3.44Å; E526-G528 PolarHBondContact O-N 3.23Å
529	R	89	Confident	94	Very high	44 Å²	44	50 Å²	50	17%	0.166	27%	0.267	C	S	.	.			trans	-81	147.1	176.1	-56.5	-177.5	63.4	147.5	25.1	110	A472 A474 G476 L524 D527 R532	A472-R529 PolarHBondContact O-NH1 3.01Å; A474-R529 PolarHBondContact O-NH1 3.18Å; A474-R529 VanDerWaalsContact O-NH1 3.1Å; A474-R529 PolarHBondContact O-NH2 3.4Å; A474-R529 VanDerWaalsContact O-NH2 3.08Å; G476-R529 PolarHBondContact O-NH2 3.29Å; L524-R529 HydrophobicContact CB-CB 4.29Å; L524-R529 WeakPolarHBondContact O-CB 3.49Å; L524-R529 PolarHBondContact O-N 3.27Å; D527-R529 VanDerWaalsContact C-N 3.3Å; D527-R529 HydrophobicContact CB-CG 4.32Å; D527-R529 PolarHBondContact O-N 2.97Å; R529-R532 PolarHBondContact O-NH1 3.02Å; R529-R532 PolarHBondContact O-NH2 3.26Å
530	E	87.8	Confident	94.1	Very high	178 Å²	178	46.6 Å²	46.6	83%	0.832	25%	0.253	S	S	*	.			trans	-88.4	-29.7	-179.5	-67.3	-173.2	172	0	0	112.7	R532	E530-R532 PolarHBondContact O-N 2.88Å
531	E	90.2	Very high	94.2	Very high	33 Å²	33	46.4 Å²	46.4	15%	0.154	25%	0.252	C	S	.	.			trans	-69.2	131.5	-174.8	-55.8	91.4	154.2	0	0	111.8	L478 M482	L478-E531 HydrophobicContact CB-CG 4.49Å; M482-E531 HydrophobicContact SD-CB 4.06Å
532	R	95.3	Very high	94.3	Very high	46 Å²	46	47.8 Å²	47.8	17%	0.174	27%	0.267	C	S	.	.			trans	-124	120.8	175.5	-61.2	-68.9	173.3	-84.5	-11.2	109	D521 R529 E530 S534 R535 I536	D521-R532 WeakPolarHBondContact OD1-CA 3.29Å; R529-R532 PolarHBondContact O-NH1 3.02Å; R529-R532 PolarHBondContact O-NH2 3.26Å; E530-R532 PolarHBondContact O-N 2.88Å; R532-S534 VanDerWaalsContact C-N 3.33Å; R532-R535 HydrophobicContact CB-CB 3.99Å; R532-R535 PolarHBondContact O-N 2.67Å; R532-I536 WeakPolarHBondContact O-CG1 3.25Å; R532-I536 PolarHBondContact O-N 3.38Å; R532-I536 VanDerWaalsContact O-N 3.11Å
533	F	97.8	Very high	94.3	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-39.3	178	-179.6	-100.8	0	0	0	111.3	M482 V485 A486 L514 L517 I518 D521 R535 I536 L537	M482-F533 HydrophobicContact CB-CD2 4.06Å; M482-F533 HydrophobicContact CE-CB 4.26Å; M482-F533 HydrophobicContact CG-CD2 4.1Å; M482-F533 HydrophobicContact SD-CB 4.4Å; V485-F533 HydrophobicContact CB-CE2 4.2Å; V485-F533 HydrophobicContact CG1-CE2 3.93Å; V485-F533 HydrophobicContact CG1-CZ 4.01Å; A486-F533 HydrophobicContact CB-CE2 4.29Å; L514-F533 HydrophobicContact CD2-CE1 3.82Å; L514-F533 HydrophobicContact CD2-CZ 3.7Å; L517-F533 HydrophobicContact CB-CB 4.01Å; L517-F533 HydrophobicContact CB-CD1 3.27Å; L517-F533 HydrophobicContact CB-CD2 4.14Å; L517-F533 HydrophobicContact CB-CE1 3.7Å; L517-F533 HydrophobicContact CB-CG 3.52Å; L517-F533 HydrophobicContact CB-CZ 4.31Å; L517-F533 HydrophobicContact CD1-CD1 4.23Å; L517-F533 HydrophobicContact CD1-CD2 3.9Å; L517-F533 HydrophobicContact CD1-CE1 4.06Å; L517-F533 HydrophobicContact CD1-CE2 3.73Å; L517-F533 HydrophobicContact CD1-CG 4.15Å; L517-F533 HydrophobicContact CD1-CZ 3.81Å; L517-F533 HydrophobicContact CG-CD1 4.4Å; L517-F533 HydrophobicContact CG-CG 4.44Å; I518-F533 HydrophobicContact CG1-CD1 4.12Å; I518-F533 HydrophobicContact CG1-CE1 4.45Å; D521-F533 PolarHBondContact OD1-N 3.29Å; D521-F533 PolarHBondContact OD2-N 2.78Å; F533-R535 VanDerWaalsContact C-N 3.33Å; F533-R535 PolarHBondContact O-N 3.03Å; F533-I536 PolarHBondContact O-N 2.93Å; F533-L537 HydrophobicContact CE1-CB 4.22Å; F533-L537 HydrophobicContact CE1-CD2 4.01Å; F533-L537 HydrophobicContact CE1-CG 4.48Å; F533-L537 HydrophobicContact CZ-CB 4.44Å; F533-L537 HydrophobicContact CZ-CD1 4.27Å; F533-L537 VanDerWaalsContact O-CB 3.28Å; F533-L537 WeakPolarHBondContact O-CB 3.45Å; F533-L537 PolarHBondContact O-N 3.06Å
534	S	97.6	Very high	94.4	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-43.8	178.2	60.4	0	0	0	0	112.1	D521 R532 L537 V538 S565	D521-S534 WeakPolarHBondContact OD2-CB 3.38Å; D521-S534 PolarHBondContact OD2-N 3.06Å; D521-S534 PolarHBondContact OD2-OG 3.46Å; R532-S534 VanDerWaalsContact C-N 3.33Å; S534-L537 PolarHBondContact O-N 2.9Å; S534-V538 WeakPolarHBondContact O-CG2 3.22Å; S534-V538 PolarHBondContact O-N 3.08Å; S534-S565 PolarHBondContact OG-OG 3.13Å
535	R	97.6	Very high	94.6	Very high	45 Å²	45	51.9 Å²	51.9	17%	0.17	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-51.4	173.9	179.3	49.3	55.6	-172.9	4.1	111.7	R532 F533 L537 V538 D539 D567 S569 V570 E573	R532-R535 HydrophobicContact CB-CB 3.99Å; R532-R535 PolarHBondContact O-N 2.67Å; F533-R535 VanDerWaalsContact C-N 3.33Å; F533-R535 PolarHBondContact O-N 3.03Å; R535-L537 PolarHBondContact O-N 3.34Å; R535-V538 PolarHBondContact O-N 3.18Å; R535-D539 VanDerWaalsContact CD-OD1 3.32Å; R535-D539 WeakPolarHBondContact CD-OD1 3.46Å; R535-D539 WeakPolarHBondContact CD-OD2 3.28Å; R535-D539 IonicContact NH1-OD1 3.59Å; R535-D539 PolarHBondContact O-N 3.28Å; R535-D567 IonicContact NE-OD2 3.21Å; R535-D567 IonicContact NH2-OD1 3.04Å; R535-D567 IonicContact NH2-OD2 3.59Å; R535-S569 PolarHBondContact NH2-O 3.46Å; R535-S569 PolarHBondContact NH2-OG 3.41Å; R535-V570 HydrophobicContact CB-CG2 3.99Å; R535-V570 VanDerWaalsContact NE-CG2 3.32Å; R535-E573 IonicContact CZ-OE2 3.84Å; R535-E573 IonicContact NH1-OE2 2.82Å; R535-E573 PolarHBondContact NH1-OE2 3.26Å; R535-E573 IonicContact NH2-OE2 3.97Å
536	I	97.9	Very high	94.7	Very high	7 Å²	7	50 Å²	50	4%	0.036	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-38.5	178.4	-67.8	166.8	0	0	0	111.2	R479 M482 A486 R532 F533 T540	R479-I536 HydrophobicContact CB-CD1 4.48Å; R479-I536 HydrophobicContact CG-CD1 4.12Å; M482-I536 HydrophobicContact CB-CD1 3.72Å; M482-I536 HydrophobicContact CB-CG2 4.37Å; M482-I536 HydrophobicContact CG-CD1 4.34Å; M482-I536 HydrophobicContact SD-CD1 3.65Å; A486-I536 HydrophobicContact CB-CG2 4.19Å; R532-I536 WeakPolarHBondContact O-CG1 3.25Å; R532-I536 PolarHBondContact O-N 3.38Å; R532-I536 VanDerWaalsContact O-N 3.11Å; F533-I536 PolarHBondContact O-N 2.93Å; I536-T540 WeakPolarHBondContact O-CB 3.34Å; I536-T540 PolarHBondContact O-N 3.48Å; I536-T540 PolarHBondContact O-OG1 3Å
537	L	98.3	Very high	94.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-45.9	178.9	-175.8	65.7	0	0	0	111.5	A486 A489 L514 I518 F533 S534 R535 T540 V541 M546 W549 L562	A486-L537 HydrophobicContact CB-CD1 3.89Å; A489-L537 HydrophobicContact CB-CD1 4.26Å; L514-L537 HydrophobicContact CD2-CD1 3.96Å; L514-L537 HydrophobicContact CD2-CD2 4.08Å; I518-L537 HydrophobicContact CD1-CD2 4.16Å; F533-L537 HydrophobicContact CE1-CB 4.22Å; F533-L537 HydrophobicContact CE1-CD2 4.01Å; F533-L537 HydrophobicContact CE1-CG 4.48Å; F533-L537 HydrophobicContact CZ-CB 4.44Å; F533-L537 HydrophobicContact CZ-CD1 4.27Å; F533-L537 VanDerWaalsContact O-CB 3.28Å; F533-L537 WeakPolarHBondContact O-CB 3.45Å; F533-L537 PolarHBondContact O-N 3.06Å; S534-L537 PolarHBondContact O-N 2.9Å; R535-L537 PolarHBondContact O-N 3.34Å; L537-T540 PolarHBondContact O-N 3.44Å; L537-V541 HydrophobicContact CD1-CG2 3.85Å; L537-V541 WeakPolarHBondContact O-CB 3.36Å; L537-V541 WeakPolarHBondContact O-CG2 3.47Å; L537-V541 PolarHBondContact O-N 3.04Å; L537-M546 HydrophobicContact CD2-CE 4.41Å; L537-M546 HydrophobicContact CG-CE 3.83Å; L537-M546 WeakPolarHBondContact O-CE 3.16Å; L537-W549 HydrophobicContact CD1-CH2 4.35Å; L537-W549 HydrophobicContact CD2-CH2 4.3Å; L537-W549 HydrophobicContact CD2-CZ3 4.47Å; L537-W549 HydrophobicContact CG-CH2 4.48Å; L537-L562 HydrophobicContact CD2-CD1 4.36Å; L537-L562 HydrophobicContact CD2-CD2 4.36Å
538	V	97.8	Very high	95.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-49	176	171.6	0	0	0	0	111.1	S534 R535 T540 G542 T543 M546 L562 V570 E573 V574	S534-V538 WeakPolarHBondContact O-CG2 3.22Å; S534-V538 PolarHBondContact O-N 3.08Å; R535-V538 PolarHBondContact O-N 3.18Å; V538-T540 PolarHBondContact O-N 2.96Å; V538-G542 WeakPolarHBondContact O-CA 3.47Å; V538-G542 PolarHBondContact O-N 3.04Å; V538-T543 HydrophobicContact CG1-CG2 4.15Å; V538-M546 HydrophobicContact CB-CE 4.37Å; V538-M546 HydrophobicContact CG2-CE 3.94Å; V538-M546 HydrophobicContact CG2-SD 4.27Å; V538-L562 HydrophobicContact CG2-CD2 4.39Å; V538-V570 HydrophobicContact CG2-CG1 3.87Å; V538-E573 WeakPolarHBondContact CG1-OE1 3.32Å; V538-V574 HydrophobicContact CG2-CG2 3.9Å
539	D	97.4	Very high	95.5	Very high	98 Å²	98	36.4 Å²	36.4	52%	0.524	18%	0.183	S	C	.	.	H	α-helix	trans	-63.2	-32.1	-179.8	-62.4	-12	0	0	0	112.1	R535	R535-D539 VanDerWaalsContact CD-OD1 3.32Å; R535-D539 WeakPolarHBondContact CD-OD1 3.46Å; R535-D539 WeakPolarHBondContact CD-OD2 3.28Å; R535-D539 IonicContact NH1-OD1 3.59Å; R535-D539 PolarHBondContact O-N 3.28Å
540	T	97.6	Very high	95.8	Very high	30 Å²	30	34.5 Å²	34.5	18%	0.184	18%	0.177	C	C	.	.	H	α-helix	trans	-81.9	-42.4	-177.4	-59.3	0	0	0	0	112.9	A486 Q487 N490 I536 L537 V538	A486-T540 HydrophobicContact CB-CG2 4.06Å; Q487-T540 HydrophobicContact CG-CG2 3.89Å; N490-T540 HydrophobicContact CB-CG2 4.31Å; N490-T540 VanDerWaalsContact CG-O 3.27Å; N490-T540 PolarHBondContact ND2-O 3.21Å; N490-T540 PolarHBondContact OD1-O 3.05Å; I536-T540 WeakPolarHBondContact O-CB 3.34Å; I536-T540 PolarHBondContact O-N 3.48Å; I536-T540 PolarHBondContact O-OG1 3Å; L537-T540 PolarHBondContact O-N 3.44Å; V538-T540 PolarHBondContact O-N 2.96Å
541	V	97.3	Very high	96	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.03	16%	0.155	C	C	.	.	H	α-helix	trans	-92.3	-33.6	-173.1	176.4	0	0	0	0	111.8	A489 N490 L537 T545 M546 W549	A489-V541 HydrophobicContact CB-CG2 3.97Å; N490-V541 HydrophobicContact CB-CG2 4.4Å; L537-V541 HydrophobicContact CD1-CG2 3.85Å; L537-V541 WeakPolarHBondContact O-CB 3.36Å; L537-V541 WeakPolarHBondContact O-CG2 3.47Å; L537-V541 PolarHBondContact O-N 3.04Å; V541-T545 HydrophobicContact CG1-CG2 3.96Å; V541-T545 VanDerWaalsContact O-CB 3.24Å; V541-T545 WeakPolarHBondContact O-CB 3.26Å; V541-T545 PolarHBondContact O-OG1 2.58Å; V541-M546 HydrophobicContact CB-CE 3.77Å; V541-M546 HydrophobicContact CB-CG 4.31Å; V541-M546 HydrophobicContact CG1-CE 4.17Å; V541-M546 HydrophobicContact CG1-CG 3.71Å; V541-M546 HydrophobicContact CG2-CE 4.32Å; V541-W549 HydrophobicContact CG1-CH2 4.45Å; V541-W549 HydrophobicContact CG1-CZ2 3.76Å; V541-W549 HydrophobicContact CG2-CZ2 4.31Å
542	G	97	Very high	96.3	Very high	29 Å²	29	29.2 Å²	29.2	30%	0.299	15%	0.151	S	C	.	.			trans	77	140.8	-172.2	0	0	0	0	0	113	V538 E544 T545 M546	V538-G542 WeakPolarHBondContact O-CA 3.47Å; V538-G542 PolarHBondContact O-N 3.04Å; G542-E544 VanDerWaalsContact C-N 3.29Å; G542-E544 PolarHBondContact O-N 3.17Å; G542-T545 PolarHBondContact O-N 3.02Å; G542-M546 WeakPolarHBondContact O-CG 3.25Å; G542-M546 PolarHBondContact O-N 2.8Å; G542-M546 VanDerWaalsContact O-N 3.1Å
543	T	95.2	Very high	96.3	Very high	27 Å²	27	30.2 Å²	30.2	17%	0.166	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-32.3	-178.3	47	0	0	0	0	113.2	V538 M546 K547 E573 A577	V538-T543 HydrophobicContact CG1-CG2 4.15Å; T543-M546 PolarHBondContact O-N 3.09Å; T543-K547 PolarHBondContact O-N 3.41Å; T543-K547 VanDerWaalsContact O-N 3.13Å; T543-E573 HydrophobicContact CG2-CG 4.05Å; T543-A577 HydrophobicContact CG2-CB 4.12Å
544	E	94.2	Very high	96.3	Very high	126 Å²	126	34.5 Å²	34.5	59%	0.589	18%	0.176	S	C	*	.	H	α-helix	trans	-62.3	-45.8	174.7	-67.4	-53.8	129.3	0	0	112.3	G542 M546 K547	G542-E544 VanDerWaalsContact C-N 3.29Å; G542-E544 PolarHBondContact O-N 3.17Å; E544-M546 VanDerWaalsContact C-N 3.33Å; E544-M546 PolarHBondContact O-N 3.26Å; E544-K547 WeakPolarHBondContact O-CB 3.42Å; E544-K547 PolarHBondContact O-N 3.28Å; E544-K547 WeakPolarHBondContact OE1-CE 3.39Å; E544-K547 IonicContact OE1-NZ 3.19Å; E544-K547 PolarHBondContact OE1-NZ 3.32Å; E544-K547 IonicContact OE2-NZ 3.65Å; E544-K547 PolarHBondContact OE2-NZ 3.36Å
545	T	94.9	Very high	96.2	Very high	41 Å²	41	34.5 Å²	34.5	25%	0.252	18%	0.176	S	C	.	.	H	α-helix	trans	-65.1	-40.2	175.7	-49.1	0	0	0	0	110.8	Q491 V541 G542 K547 S548	Q491-T545 WeakPolarHBondContact O-CG2 3.38Å; V541-T545 HydrophobicContact CG1-CG2 3.96Å; V541-T545 VanDerWaalsContact O-CB 3.24Å; V541-T545 WeakPolarHBondContact O-CB 3.26Å; V541-T545 PolarHBondContact O-OG1 2.58Å; G542-T545 PolarHBondContact O-N 3.02Å; T545-K547 VanDerWaalsContact C-N 3.25Å; T545-K547 PolarHBondContact O-N 2.74Å; T545-S548 WeakPolarHBondContact O-CB 3.47Å; T545-S548 PolarHBondContact O-N 3.29Å; T545-S548 VanDerWaalsContact O-N 3.11Å; T545-S548 PolarHBondContact O-OG 3.44Å
546	M	96.3	Very high	96.1	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-27.1	179.6	-72.7	-172.2	-177.5	0	0	113.6	L537 V538 V541 G542 T543 E544 S548 W549 L559 L562	L537-M546 HydrophobicContact CD2-CE 4.41Å; L537-M546 HydrophobicContact CG-CE 3.83Å; L537-M546 WeakPolarHBondContact O-CE 3.16Å; V538-M546 HydrophobicContact CB-CE 4.37Å; V538-M546 HydrophobicContact CG2-CE 3.94Å; V538-M546 HydrophobicContact CG2-SD 4.27Å; V541-M546 HydrophobicContact CB-CE 3.77Å; V541-M546 HydrophobicContact CB-CG 4.31Å; V541-M546 HydrophobicContact CG1-CE 4.17Å; V541-M546 HydrophobicContact CG1-CG 3.71Å; V541-M546 HydrophobicContact CG2-CE 4.32Å; G542-M546 WeakPolarHBondContact O-CG 3.25Å; G542-M546 PolarHBondContact O-N 2.8Å; G542-M546 VanDerWaalsContact O-N 3.1Å; T543-M546 PolarHBondContact O-N 3.09Å; E544-M546 VanDerWaalsContact C-N 3.33Å; E544-M546 PolarHBondContact O-N 3.26Å; M546-S548 PolarHBondContact O-N 2.79Å; M546-W549 HydrophobicContact CB-CD2 4.49Å; M546-W549 HydrophobicContact CE-CH2 4.18Å; M546-W549 HydrophobicContact CG-CD2 4.39Å; M546-W549 HydrophobicContact CG-CE3 4.41Å; M546-W549 HydrophobicContact CG-CH2 4.16Å; M546-W549 HydrophobicContact CG-CZ2 4.14Å; M546-W549 HydrophobicContact CG-CZ3 4.29Å; M546-W549 WeakPolarHBondContact O-CB 3.34Å; M546-W549 PolarHBondContact O-N 2.91Å; M546-L559 HydrophobicContact CB-CD2 4.15Å; M546-L562 HydrophobicContact CE-CD1 4.15Å; M546-L562 HydrophobicContact SD-CD1 3.75Å
547	K	95.1	Very high	96.1	Very high	40 Å²	40	34.6 Å²	34.6	17%	0.174	18%	0.179	C	C	.	.	H	α-helix	trans	-54.1	-36.2	173	-72.9	172.1	-174.9	172.2	0	111.6	T543 E544 T545 W549 V550 A577 I581	T543-K547 PolarHBondContact O-N 3.41Å; T543-K547 VanDerWaalsContact O-N 3.13Å; E544-K547 WeakPolarHBondContact O-CB 3.42Å; E544-K547 PolarHBondContact O-N 3.28Å; E544-K547 WeakPolarHBondContact OE1-CE 3.39Å; E544-K547 IonicContact OE1-NZ 3.19Å; E544-K547 PolarHBondContact OE1-NZ 3.32Å; E544-K547 IonicContact OE2-NZ 3.65Å; E544-K547 PolarHBondContact OE2-NZ 3.36Å; T545-K547 VanDerWaalsContact C-N 3.25Å; T545-K547 PolarHBondContact O-N 2.74Å; K547-W549 PolarHBondContact O-N 2.95Å; K547-W549 VanDerWaalsContact O-N 3.09Å; K547-V550 WeakPolarHBondContact O-CG2 3.25Å; K547-V550 PolarHBondContact O-N 3.33Å; K547-A577 VanDerWaalsContact CE-O 3.25Å; K547-A577 WeakPolarHBondContact CE-O 3.24Å; K547-I581 HydrophobicContact CB-CD1 3.88Å; K547-I581 HydrophobicContact CD-CG2 3.83Å; K547-I581 HydrophobicContact CG-CD1 3.87Å; K547-I581 HydrophobicContact CG-CG1 4.44Å; K547-I581 HydrophobicContact CG-CG2 4.31Å
548	S	94.8	Very high	96	Very high	10 Å²	10	34.6 Å²	34.6	7%	0.07	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-61.7	-19.2	177.1	71.2	0	0	0	0	113.6	L493 T545 M546 V550 K551	L493-S548 WeakPolarHBondContact CB-OG 3.18Å; L493-S548 PolarHBondContact N-OG 2.7Å; L493-S548 VanDerWaalsContact N-OG 3.08Å; T545-S548 WeakPolarHBondContact O-CB 3.47Å; T545-S548 PolarHBondContact O-N 3.29Å; T545-S548 VanDerWaalsContact O-N 3.11Å; T545-S548 PolarHBondContact O-OG 3.44Å; M546-S548 PolarHBondContact O-N 2.79Å; S548-V550 VanDerWaalsContact C-N 3.26Å; S548-V550 PolarHBondContact O-N 3.3Å; S548-K551 WeakPolarHBondContact O-CB 3.3Å; S548-K551 WeakPolarHBondContact O-CD 3.21Å; S548-K551 VanDerWaalsContact O-CG 3.26Å; S548-K551 WeakPolarHBondContact O-CG 3.41Å; S548-K551 PolarHBondContact O-N 3.17Å
549	W	96.6	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-72.9	-18.3	-177.2	-60	5.4	0	0	0	113.4	A489 L493 H503 A505 L514 L537 V541 M546 K547 K551 V552 G555 A556 V558 L559	A489-W549 HydrophobicContact CB-CH2 4.01Å; A489-W549 HydrophobicContact CB-CZ2 3.74Å; L493-W549 HydrophobicContact CD1-CB 4.37Å; L493-W549 HydrophobicContact CD1-CG 4.24Å; H503-W549 AromaticContact CE1-CE2 3.77Å; H503-W549 AromaticContact CE1-NE1 3.43Å; H503-W549 PolarHBondContact CE1-NE1 3.38Å; H503-W549 AromaticContact NE2-NE1 3.92Å; A505-W549 HydrophobicContact CB-CD2 3.79Å; A505-W549 HydrophobicContact CB-CE3 3.94Å; A505-W549 HydrophobicContact CB-CG 4.18Å; A505-W549 HydrophobicContact CB-CZ2 4.43Å; A505-W549 HydrophobicContact CB-CZ3 4.33Å; L514-W549 HydrophobicContact CD1-CH2 4.42Å; L537-W549 HydrophobicContact CD1-CH2 4.35Å; L537-W549 HydrophobicContact CD2-CH2 4.3Å; L537-W549 HydrophobicContact CD2-CZ3 4.47Å; L537-W549 HydrophobicContact CG-CH2 4.48Å; V541-W549 HydrophobicContact CG1-CH2 4.45Å; V541-W549 HydrophobicContact CG1-CZ2 3.76Å; V541-W549 HydrophobicContact CG2-CZ2 4.31Å; M546-W549 HydrophobicContact CB-CD2 4.49Å; M546-W549 HydrophobicContact CE-CH2 4.18Å; M546-W549 HydrophobicContact CG-CD2 4.39Å; M546-W549 HydrophobicContact CG-CE3 4.41Å; M546-W549 HydrophobicContact CG-CH2 4.16Å; M546-W549 HydrophobicContact CG-CZ2 4.14Å; M546-W549 HydrophobicContact CG-CZ3 4.29Å; M546-W549 WeakPolarHBondContact O-CB 3.34Å; M546-W549 PolarHBondContact O-N 2.91Å; K547-W549 PolarHBondContact O-N 2.95Å; K547-W549 VanDerWaalsContact O-N 3.09Å; W549-K551 PolarHBondContact O-N 2.95Å; W549-V552 PolarHBondContact O-N 3.34Å; W549-G555 CarbonylContact O-C 3.45Å; W549-G555 WeakPolarHBondContact O-CA 3.45Å; W549-A556 PolarHBondContact O-N 3.28Å; W549-V558 HydrophobicContact CE3-CB 4.46Å; W549-V558 HydrophobicContact CE3-CG1 4.15Å; W549-V558 HydrophobicContact CZ3-CB 4.48Å; W549-V558 HydrophobicContact CZ3-CG1 3.71Å; W549-L559 HydrophobicContact CB-CD1 3.96Å; W549-L559 HydrophobicContact CB-CG 4.22Å; W549-L559 HydrophobicContact CE3-CD2 4.14Å; W549-L559 HydrophobicContact CE3-CG 4.36Å
550	V	94.8	Very high	95.9	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.03	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-64.1	-20.6	175.4	-56.2	0	0	0	0	113	K547 S548 V552 L559 L578 I581 L585 I588 H591 L597	K547-V550 WeakPolarHBondContact O-CG2 3.25Å; K547-V550 PolarHBondContact O-N 3.33Å; S548-V550 VanDerWaalsContact C-N 3.26Å; S548-V550 PolarHBondContact O-N 3.3Å; V550-V552 PolarHBondContact O-N 3.5Å; V550-L559 HydrophobicContact CB-CD1 4.49Å; V550-L559 HydrophobicContact CG1-CD1 3.48Å; V550-L559 VanDerWaalsContact CG1-CD1 3.48Å; V550-L578 HydrophobicContact CG1-CD2 4Å; V550-I581 HydrophobicContact CG1-CD1 3.94Å; V550-I581 HydrophobicContact CG2-CD1 4.22Å; V550-L585 HydrophobicContact CB-CD1 3.9Å; V550-L585 HydrophobicContact CG1-CD1 4.16Å; V550-I588 HydrophobicContact CB-CD1 4.2Å; V550-I588 HydrophobicContact CG2-CD1 3.67Å; V550-H591 PolarHBondContact O-CE1 2.89Å; V550-H591 PolarHBondContact O-NE2 2.99Å; V550-H591 VanDerWaalsContact O-NE2 3.12Å; V550-L597 HydrophobicContact CG1-CD2 3.83Å
551	K	93.4	Very high	95.9	Very high	88 Å²	88	29.4 Å²	29.4	38%	0.383	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-67.4	-11.4	-177.9	-61.1	174.2	-175.3	170.9	0	113.5	E492 P495 S548 W549	E492-K551 IonicContact OE1-NZ 2.68Å; P495-K551 HydrophobicContact CG-CB 3.79Å; P495-K551 HydrophobicContact CG-CD 4.2Å; S548-K551 WeakPolarHBondContact O-CB 3.3Å; S548-K551 WeakPolarHBondContact O-CD 3.21Å; S548-K551 VanDerWaalsContact O-CG 3.26Å; S548-K551 WeakPolarHBondContact O-CG 3.41Å; S548-K551 PolarHBondContact O-N 3.17Å; W549-K551 PolarHBondContact O-N 2.95Å
552	V	95.3	Very high	95.9	Very high	11 Å²	11	29.1 Å²	29.1	7%	0.067	15%	0.15	C	C	.	.	S	Bend	trans	-137.8	144.9	-178.7	-63	0	0	0	0	111.7	L493 P495 E506 W549 V550 R554 G555 A556 H591	L493-V552 HydrophobicContact CD1-CG2 3.58Å; L493-V552 HydrophobicContact CD2-CB 4.43Å; L493-V552 HydrophobicContact CD2-CG1 3.8Å; L493-V552 HydrophobicContact CD2-CG2 3.74Å; L493-V552 HydrophobicContact CG-CG2 4.33Å; P495-V552 HydrophobicContact CB-CG1 3.7Å; P495-V552 HydrophobicContact CG-CG1 3.98Å; E506-V552 HydrophobicContact CB-CG2 4.19Å; E506-V552 HydrophobicContact CG-CB 4.28Å; E506-V552 HydrophobicContact CG-CG1 4.31Å; E506-V552 HydrophobicContact CG-CG2 4.09Å; W549-V552 PolarHBondContact O-N 3.34Å; V550-V552 PolarHBondContact O-N 3.5Å; V552-R554 VanDerWaalsContact C-N 3.34Å; V552-R554 PolarHBondContact O-N 3.01Å; V552-G555 PolarHBondContact O-N 3.31Å; V552-G555 VanDerWaalsContact O-N 3.1Å; V552-A556 PolarHBondContact O-N 3.49Å; V552-H591 VanDerWaalsContact C-NE2 3.3Å; V552-H591 WeakPolarHBondContact CA-NE2 3.34Å; V552-H591 PolarHBondContact N-NE2 3.39Å
553	N	95.6	Very high	95.8	Very high	67 Å²	67	28.7 Å²	28.7	36%	0.358	14%	0.141	S	C	.	.	H	α-helix	trans	-52.5	-47.7	-175.8	-173.3	80.1	0	0	0	113.7	M557 H591 G593	N553-M557 WeakPolarHBondContact O-CG 3.5Å; N553-M557 PolarHBondContact O-N 3.19Å; N553-M557 VanDerWaalsContact O-N 3.15Å; N553-H591 HydrophobicContact CB-CB 3.78Å; N553-H591 PolarHBondContact N-CD2 3.37Å; N553-H591 PolarHBondContact N-NE2 2.95Å; N553-G593 PolarHBondContact OD1-N 2.87Å
554	R	96.8	Very high	95.7	Very high	91 Å²	91	32.7 Å²	32.7	34%	0.343	16%	0.161	S	C	.	.	H	α-helix	trans	-68.3	-37.3	-177.7	-73.7	171.9	178.2	145.5	8.6	112.1	A505 E506 H511 V552 M557 V558	A505-R554 CarbonylContact O-C 3.54Å; A505-R554 VanDerWaalsContact O-C 3.31Å; A505-R554 VanDerWaalsContact O-CB 3.24Å; A505-R554 WeakPolarHBondContact O-CB 3.49Å; E506-R554 WeakPolarHBondContact O-CD 3.46Å; E506-R554 PolarHBondContact O-NH1 3.35Å; H511-R554 HydrophobicContact CB-CB 4.02Å; V552-R554 VanDerWaalsContact C-N 3.34Å; V552-R554 PolarHBondContact O-N 3.01Å; R554-M557 PolarHBondContact O-N 3.34Å; R554-V558 WeakPolarHBondContact O-CG2 3.34Å; R554-V558 PolarHBondContact O-N 3.09Å; R554-V558 VanDerWaalsContact O-N 3.09Å
555	G	96.8	Very high	95.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-44.9	176.9	0	0	0	0	0	111.3	A505 W549 V552 M557 V558 L559	A505-G555 PolarHBondContact O-N 2.97Å; W549-G555 CarbonylContact O-C 3.45Å; W549-G555 WeakPolarHBondContact O-CA 3.45Å; V552-G555 PolarHBondContact O-N 3.31Å; V552-G555 VanDerWaalsContact O-N 3.1Å; G555-M557 VanDerWaalsContact C-N 3.28Å; G555-M557 PolarHBondContact O-N 3.11Å; G555-V558 PolarHBondContact O-N 2.9Å; G555-V558 VanDerWaalsContact O-N 3.07Å; G555-L559 WeakPolarHBondContact O-CG 3.48Å; G555-L559 PolarHBondContact O-N 3.15Å
556	A	95.8	Very high	95.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.8	-36.7	173.4	0	0	0	0	0	112.9	W549 V552 L559 C560 G593 L597	W549-A556 PolarHBondContact O-N 3.28Å; V552-A556 PolarHBondContact O-N 3.49Å; A556-L559 PolarHBondContact O-N 3.29Å; A556-C560 PolarHBondContact O-N 3.17Å; A556-C560 PolarHBondContact O-SG 3.36Å; A556-G593 VanDerWaalsContact CB-C 3.49Å; A556-G593 WeakPolarHBondContact CB-O 3.49Å; A556-L597 HydrophobicContact CB-CD2 4.37Å
557	M	96.6	Very high	95.6	Very high	54 Å²	54	30.1 Å²	30.1	27%	0.266	16%	0.156	S	C	.	.	H	α-helix	trans	-68.3	-34.7	174.3	-66.9	-58	-61.8	0	0	113.2	N553 R554 G555 C560 S561 I596	N553-M557 WeakPolarHBondContact O-CG 3.5Å; N553-M557 PolarHBondContact O-N 3.19Å; N553-M557 VanDerWaalsContact O-N 3.15Å; R554-M557 PolarHBondContact O-N 3.34Å; G555-M557 VanDerWaalsContact C-N 3.28Å; G555-M557 PolarHBondContact O-N 3.11Å; M557-C560 WeakPolarHBondContact O-CB 3.35Å; M557-C560 PolarHBondContact O-N 2.64Å; M557-S561 PolarHBondContact O-N 3Å; M557-I596 HydrophobicContact SD-CD1 4.03Å
558	V	97.4	Very high	95.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-67	-42	173.3	176.8	0	0	0	0	110.4	H511 L514 I518 W549 R554 G555 C560 S561 L562	H511-V558 HydrophobicContact CB-CG2 3.92Å; L514-V558 HydrophobicContact CB-CG1 3.96Å; L514-V558 HydrophobicContact CB-CG2 4.2Å; L514-V558 HydrophobicContact CD1-CG1 4.14Å; L514-V558 HydrophobicContact CD1-CG2 4.38Å; I518-V558 HydrophobicContact CD1-CG1 3.98Å; W549-V558 HydrophobicContact CE3-CB 4.46Å; W549-V558 HydrophobicContact CE3-CG1 4.15Å; W549-V558 HydrophobicContact CZ3-CB 4.48Å; W549-V558 HydrophobicContact CZ3-CG1 3.71Å; R554-V558 WeakPolarHBondContact O-CG2 3.34Å; R554-V558 PolarHBondContact O-N 3.09Å; R554-V558 VanDerWaalsContact O-N 3.09Å; G555-V558 PolarHBondContact O-N 2.9Å; G555-V558 VanDerWaalsContact O-N 3.07Å; V558-C560 VanDerWaalsContact C-N 3.3Å; V558-C560 PolarHBondContact O-N 3.08Å; V558-S561 WeakPolarHBondContact O-CB 3.39Å; V558-S561 PolarHBondContact O-N 2.98Å; V558-S561 VanDerWaalsContact O-N 3.08Å; V558-L562 PolarHBondContact O-N 3.36Å
559	L	97.3	Very high	95.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-38.5	174	-68.5	172.7	0	0	0	112	M546 W549 V550 G555 A556 S561 L562 L563 L578 L597	M546-L559 HydrophobicContact CB-CD2 4.15Å; W549-L559 HydrophobicContact CB-CD1 3.96Å; W549-L559 HydrophobicContact CB-CG 4.22Å; W549-L559 HydrophobicContact CE3-CD2 4.14Å; W549-L559 HydrophobicContact CE3-CG 4.36Å; V550-L559 HydrophobicContact CB-CD1 4.49Å; V550-L559 HydrophobicContact CG1-CD1 3.48Å; V550-L559 VanDerWaalsContact CG1-CD1 3.48Å; G555-L559 WeakPolarHBondContact O-CG 3.48Å; G555-L559 PolarHBondContact O-N 3.15Å; A556-L559 PolarHBondContact O-N 3.29Å; L559-S561 VanDerWaalsContact C-N 3.29Å; L559-S561 PolarHBondContact O-N 3.41Å; L559-L562 HydrophobicContact CD2-CD1 4.42Å; L559-L562 PolarHBondContact O-N 3.48Å; L559-L562 VanDerWaalsContact O-N 3.17Å; L559-L563 PolarHBondContact O-N 3.33Å; L559-L578 HydrophobicContact CB-CD1 4.3Å; L559-L578 HydrophobicContact CD1-CD2 3.99Å; L559-L578 HydrophobicContact CD2-CD2 4.49Å; L559-L597 HydrophobicContact CB-CD1 3.87Å; L559-L597 HydrophobicContact CB-CD2 4.18Å; L559-L597 HydrophobicContact CD1-CD2 3.97Å
560	C	96.2	Very high	95.6	Very high	7 Å²	7	35.6 Å²	35.6	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-59.3	-40.6	172.4	-69.9	0	0	0	0	112	A556 M557 V558 L562 L563 N564 L597	A556-C560 PolarHBondContact O-N 3.17Å; A556-C560 PolarHBondContact O-SG 3.36Å; M557-C560 WeakPolarHBondContact O-CB 3.35Å; M557-C560 PolarHBondContact O-N 2.64Å; V558-C560 VanDerWaalsContact C-N 3.3Å; V558-C560 PolarHBondContact O-N 3.08Å; C560-L562 VanDerWaalsContact C-N 3.35Å; C560-L563 PolarHBondContact O-N 3.11Å; C560-N564 PolarHBondContact O-N 3.19Å; C560-N564 PolarHBondContact O-ND2 2.9Å; C560-L597 HydrophobicContact CB-CD1 4.49Å; C560-L597 VanDerWaalsContact SG-CA 3.58Å; C560-L597 VanDerWaalsContact SG-CD1 3.56Å
561	S	96.8	Very high	95.6	Very high	12 Å²	12	36.3 Å²	36.3	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-38.9	175.5	-67.6	0	0	0	0	111.9	K515 I518 M557 V558 L559 N564 S565	K515-S561 WeakPolarHBondContact CG-OG 3.32Å; I518-S561 WeakPolarHBondContact CG2-O 3.43Å; M557-S561 PolarHBondContact O-N 3Å; V558-S561 WeakPolarHBondContact O-CB 3.39Å; V558-S561 PolarHBondContact O-N 2.98Å; V558-S561 VanDerWaalsContact O-N 3.08Å; L559-S561 VanDerWaalsContact C-N 3.29Å; L559-S561 PolarHBondContact O-N 3.41Å; S561-N564 CarbonylContact O-C 3.37Å; S561-N564 PolarHBondContact O-N 2.69Å; S561-S565 PolarHBondContact O-N 3.46Å; S561-S565 VanDerWaalsContact O-N 3.15Å
562	L	97.2	Very high	95.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-39.5	175.8	-73.9	172.1	0	0	0	113.1	I518 L537 V538 M546 V558 L559 C560 N564 S565 V570 V574	I518-L562 HydrophobicContact CD1-CD2 3.69Å; I518-L562 HydrophobicContact CD1-CG 3.72Å; I518-L562 HydrophobicContact CG1-CD2 3.9Å; I518-L562 HydrophobicContact CG1-CG 4.47Å; I518-L562 HydrophobicContact CG2-CD2 4.39Å; L537-L562 HydrophobicContact CD2-CD1 4.36Å; L537-L562 HydrophobicContact CD2-CD2 4.36Å; V538-L562 HydrophobicContact CG2-CD2 4.39Å; M546-L562 HydrophobicContact CE-CD1 4.15Å; M546-L562 HydrophobicContact SD-CD1 3.75Å; V558-L562 PolarHBondContact O-N 3.36Å; L559-L562 HydrophobicContact CD2-CD1 4.42Å; L559-L562 PolarHBondContact O-N 3.48Å; L559-L562 VanDerWaalsContact O-N 3.17Å; C560-L562 VanDerWaalsContact C-N 3.35Å; L562-N564 PolarHBondContact O-N 3.34Å; L562-S565 VanDerWaalsContact O-CB 3.23Å; L562-S565 WeakPolarHBondContact O-CB 3.38Å; L562-S565 PolarHBondContact O-N 3.45Å; L562-S565 VanDerWaalsContact O-N 3.1Å; L562-V570 HydrophobicContact CD2-CG1 4.02Å; L562-V574 HydrophobicContact CB-CG1 4.16Å; L562-V574 HydrophobicContact CB-CG2 4.19Å; L562-V574 HydrophobicContact CD1-CG2 4.44Å
563	L	95.4	Very high	95.8	Very high	20 Å²	20	37.8 Å²	37.8	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-30.2	173.6	-75.1	178.5	0	0	0	112.7	L559 C560 A571 V574 K575 L578 L597 N600 L601	L559-L563 PolarHBondContact O-N 3.33Å; C560-L563 PolarHBondContact O-N 3.11Å; L563-A571 WeakPolarHBondContact O-CB 3.5Å; L563-V574 HydrophobicContact CD2-CB 4.39Å; L563-V574 HydrophobicContact CD2-CG1 3.95Å; L563-V574 HydrophobicContact CG-CG1 4.25Å; L563-K575 HydrophobicContact CD2-CB 3.74Å; L563-K575 HydrophobicContact CD2-CG 4.41Å; L563-L578 HydrophobicContact CD1-CD1 4.01Å; L563-L578 HydrophobicContact CD2-CD1 4.15Å; L563-L578 HydrophobicContact CG-CD1 4.11Å; L563-L597 HydrophobicContact CD1-CD1 3.5Å; L563-L597 VanDerWaalsContact CD1-CD1 3.5Å; L563-L597 HydrophobicContact CG-CD1 4.48Å; L563-N600 HydrophobicContact CD1-CB 4.32Å; L563-L601 HydrophobicContact CD1-CD2 3.71Å; L563-L601 HydrophobicContact CD1-CG 3.96Å; L563-L601 HydrophobicContact CD2-CD2 3.95Å
564	N	92.9	Very high	95.9	Very high	110 Å²	110	34.8 Å²	34.8	59%	0.588	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	19.8	177.3	-63.4	-63.4	0	0	0	112.3	C560 S561 L562	C560-N564 PolarHBondContact O-N 3.19Å; C560-N564 PolarHBondContact O-ND2 2.9Å; S561-N564 CarbonylContact O-C 3.37Å; S561-N564 PolarHBondContact O-N 2.69Å; L562-N564 PolarHBondContact O-N 3.34Å
565	S	94.6	Very high	95.8	Very high	14 Å²	14	34.2 Å²	34.2	10%	0.098	21%	0.207	C	C	.	.			trans	-61.3	145.1	178	-176.7	0	0	0	0	111	S534 S561 L562 D567	S534-S565 PolarHBondContact OG-OG 3.13Å; S561-S565 PolarHBondContact O-N 3.46Å; S561-S565 VanDerWaalsContact O-N 3.15Å; L562-S565 VanDerWaalsContact O-CB 3.23Å; L562-S565 WeakPolarHBondContact O-CB 3.38Å; L562-S565 PolarHBondContact O-N 3.45Å; L562-S565 VanDerWaalsContact O-N 3.1Å; S565-D567 PolarHBondContact O-N 2.96Å; S565-D567 PolarHBondContact OG-N 3.43Å
566	C	93.6	Very high	95.8	Very high	68 Å²	68	37.3 Å²	37.3	46%	0.459	23%	0.232	S	C	.	.	S	Bend	trans	-69.7	-17.2	171.1	66.8	0	0	0	0	112.6	D521 A522 S568	D521-C566 VanDerWaalsContact C-SG 3.5Å; D521-C566 VanDerWaalsContact CB-SG 3.57Å; A522-C566 HydrophobicContact CB-CB 4.16Å; A522-C566 PolarHBondContact N-SG 3.36Å; A522-C566 VanDerWaalsContact N-SG 3.42Å; C566-S568 PolarHBondContact O-N 3.28Å
567	D	93.8	Very high	95.7	Very high	35 Å²	35	37.9 Å²	37.9	19%	0.187	24%	0.236	C	C	.	.			trans	-81.8	103.6	168.4	-177.8	-27.5	0	0	0	108.9	R535 S565 S569 V570 A571	R535-D567 IonicContact NE-OD2 3.21Å; R535-D567 IonicContact NH2-OD1 3.04Å; R535-D567 IonicContact NH2-OD2 3.59Å; S565-D567 PolarHBondContact O-N 2.96Å; S565-D567 PolarHBondContact OG-N 3.43Å; D567-S569 PolarHBondContact O-N 3.34Å; D567-S569 WeakPolarHBondContact OD1-CA 3.48Å; D567-S569 VanDerWaalsContact OD1-CB 3.29Å; D567-S569 WeakPolarHBondContact OD1-CB 3.5Å; D567-S569 PolarHBondContact OD1-N 3.1Å; D567-V570 HydrophobicContact CB-CB 4.06Å; D567-V570 HydrophobicContact CB-CG2 3.87Å; D567-V570 WeakPolarHBondContact O-CB 3.32Å; D567-V570 PolarHBondContact O-N 3.15Å; D567-V570 PolarHBondContact OD1-N 3.44Å; D567-V570 VanDerWaalsContact OD1-N 3.09Å; D567-A571 PolarHBondContact O-N 2.93Å
568	S	93.6	Very high	95.7	Very high	98 Å²	98	35.4 Å²	35.4	69%	0.685	23%	0.225	S	C	*	.	H	α-helix	trans	-62.4	-29.6	-177.4	58.3	0	0	0	0	113.2	C566 A572	C566-S568 PolarHBondContact O-N 3.28Å; S568-A572 VanDerWaalsContact O-CB 3.32Å; S568-A572 WeakPolarHBondContact O-CB 3.36Å; S568-A572 PolarHBondContact O-N 3.34Å
569	S	96	Very high	95.5	Very high	67 Å²	67	38.6 Å²	38.6	47%	0.469	24%	0.244	S	C	.	.	H	α-helix	trans	-68.6	-39	174.9	179.7	0	0	0	0	110.3	R535 D567 A572 E573	R535-S569 PolarHBondContact NH2-O 3.46Å; R535-S569 PolarHBondContact NH2-OG 3.41Å; D567-S569 PolarHBondContact O-N 3.34Å; D567-S569 WeakPolarHBondContact OD1-CA 3.48Å; D567-S569 VanDerWaalsContact OD1-CB 3.29Å; D567-S569 WeakPolarHBondContact OD1-CB 3.5Å; D567-S569 PolarHBondContact OD1-N 3.1Å; S569-A572 PolarHBondContact O-N 2.9Å; S569-E573 WeakPolarHBondContact O-CB 3.45Å; S569-E573 PolarHBondContact O-N 3.23Å
570	V	96.9	Very high	95.3	Very high	0 Å²	0	42 Å²	42	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-48.8	177.5	167.2	0	0	0	0	109.4	R535 V538 L562 D567 A572 E573 V574	R535-V570 HydrophobicContact CB-CG2 3.99Å; R535-V570 VanDerWaalsContact NE-CG2 3.32Å; V538-V570 HydrophobicContact CG2-CG1 3.87Å; L562-V570 HydrophobicContact CD2-CG1 4.02Å; D567-V570 HydrophobicContact CB-CB 4.06Å; D567-V570 HydrophobicContact CB-CG2 3.87Å; D567-V570 WeakPolarHBondContact O-CB 3.32Å; D567-V570 PolarHBondContact O-N 3.15Å; D567-V570 PolarHBondContact OD1-N 3.44Å; D567-V570 VanDerWaalsContact OD1-N 3.09Å; V570-A572 VanDerWaalsContact C-N 3.31Å; V570-A572 PolarHBondContact O-N 2.99Å; V570-E573 PolarHBondContact O-N 2.96Å; V570-V574 HydrophobicContact CG1-CG2 4.29Å; V570-V574 WeakPolarHBondContact O-CB 3.46Å; V570-V574 WeakPolarHBondContact O-CG2 3.28Å; V570-V574 PolarHBondContact O-N 3.15Å
571	A	95.7	Very high	95.2	Very high	19 Å²	19	42.2 Å²	42.2	16%	0.157	27%	0.273	C	S	.	.	H	α-helix	trans	-58.2	-44.1	-179.9	0	0	0	0	0	111.6	L563 D567 K575	L563-A571 WeakPolarHBondContact O-CB 3.5Å; D567-A571 PolarHBondContact O-N 2.93Å; A571-K575 WeakPolarHBondContact O-CB 3.17Å; A571-K575 PolarHBondContact O-N 3.32Å
572	A	96.1	Very high	94.9	Very high	58 Å²	58	43.5 Å²	43.5	48%	0.479	28%	0.278	S	S	.	.	H	α-helix	trans	-64.8	-45.6	178.6	0	0	0	0	0	112.6	S568 S569 V570 K575 A576	S568-A572 VanDerWaalsContact O-CB 3.32Å; S568-A572 WeakPolarHBondContact O-CB 3.36Å; S568-A572 PolarHBondContact O-N 3.34Å; S569-A572 PolarHBondContact O-N 2.9Å; V570-A572 VanDerWaalsContact C-N 3.31Å; V570-A572 PolarHBondContact O-N 2.99Å; A572-K575 PolarHBondContact O-N 3.04Å; A572-A576 WeakPolarHBondContact O-CB 3.47Å; A572-A576 PolarHBondContact O-N 3.49Å
573	E	97.1	Very high	94.6	Very high	73 Å²	73	47 Å²	47	34%	0.341	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-45.1	-179.5	-163.8	-171.9	151.3	0	0	111.7	R535 V538 T543 S569 V570 A576 A577	R535-E573 IonicContact CZ-OE2 3.84Å; R535-E573 IonicContact NH1-OE2 2.82Å; R535-E573 PolarHBondContact NH1-OE2 3.26Å; R535-E573 IonicContact NH2-OE2 3.97Å; V538-E573 WeakPolarHBondContact CG1-OE1 3.32Å; T543-E573 HydrophobicContact CG2-CG 4.05Å; S569-E573 WeakPolarHBondContact O-CB 3.45Å; S569-E573 PolarHBondContact O-N 3.23Å; V570-E573 PolarHBondContact O-N 2.96Å; E573-A576 PolarHBondContact O-N 3.05Å; E573-A577 PolarHBondContact O-N 3.39Å; E573-A577 VanDerWaalsContact O-N 3.1Å
574	V	96.5	Very high	94.3	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-67.1	-40.6	176.3	175.5	0	0	0	0	110.9	V538 L562 L563 V570 A576 A577 L578	V538-V574 HydrophobicContact CG2-CG2 3.9Å; L562-V574 HydrophobicContact CB-CG1 4.16Å; L562-V574 HydrophobicContact CB-CG2 4.19Å; L562-V574 HydrophobicContact CD1-CG2 4.44Å; L563-V574 HydrophobicContact CD2-CB 4.39Å; L563-V574 HydrophobicContact CD2-CG1 3.95Å; L563-V574 HydrophobicContact CG-CG1 4.25Å; V570-V574 HydrophobicContact CG1-CG2 4.29Å; V570-V574 WeakPolarHBondContact O-CB 3.46Å; V570-V574 WeakPolarHBondContact O-CG2 3.28Å; V570-V574 PolarHBondContact O-N 3.15Å; V574-A576 VanDerWaalsContact C-N 3.35Å; V574-A576 PolarHBondContact O-N 3.19Å; V574-A577 PolarHBondContact O-N 2.98Å; V574-L578 HydrophobicContact CG1-CD1 3.8Å; V574-L578 HydrophobicContact CG1-CG 4.2Å; V574-L578 WeakPolarHBondContact O-CB 3.41Å; V574-L578 VanDerWaalsContact O-CG 3.3Å; V574-L578 WeakPolarHBondContact O-CG 3.48Å; V574-L578 PolarHBondContact O-N 3.39Å
575	K	95.9	Very high	94	Very high	80 Å²	80	46.3 Å²	46.3	35%	0.348	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-44.2	175.7	-174.4	165.7	-177.9	167.1	0	111.4	L563 A571 A572 L578 T579 L601 K603	L563-K575 HydrophobicContact CD2-CB 3.74Å; L563-K575 HydrophobicContact CD2-CG 4.41Å; A571-K575 WeakPolarHBondContact O-CB 3.17Å; A571-K575 PolarHBondContact O-N 3.32Å; A572-K575 PolarHBondContact O-N 3.04Å; K575-L578 PolarHBondContact O-N 3.26Å; K575-T579 WeakPolarHBondContact O-CB 3.28Å; K575-T579 PolarHBondContact O-N 2.66Å; K575-T579 PolarHBondContact O-OG1 3.19Å; K575-L601 WeakPolarHBondContact CE-O 3.33Å; K575-L601 HydrophobicContact CG-CD2 4.1Å; K575-K603 PolarHBondContact NZ-OXT 2.98Å
576	A	95.9	Very high	93.8	Very high	65 Å²	65	52 Å²	52	54%	0.537	32%	0.319	S	S	.	.	H	α-helix	trans	-61	-47.6	177.4	0	0	0	0	0	111.8	A572 E573 V574 L578 T579 A580	A572-A576 WeakPolarHBondContact O-CB 3.47Å; A572-A576 PolarHBondContact O-N 3.49Å; E573-A576 PolarHBondContact O-N 3.05Å; V574-A576 VanDerWaalsContact C-N 3.35Å; V574-A576 PolarHBondContact O-N 3.19Å; A576-L578 PolarHBondContact O-N 2.79Å; A576-T579 PolarHBondContact O-N 2.95Å; A576-A580 PolarHBondContact O-N 2.85Å
577	A	95.1	Very high	93.6	Very high	11 Å²	11	58 Å²	58	9%	0.091	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-41.5	179.4	0	0	0	0	0	112.9	T543 K547 E573 V574 A580	T543-A577 HydrophobicContact CG2-CB 4.12Å; K547-A577 VanDerWaalsContact CE-O 3.25Å; K547-A577 WeakPolarHBondContact CE-O 3.24Å; E573-A577 PolarHBondContact O-N 3.39Å; E573-A577 VanDerWaalsContact O-N 3.1Å; V574-A577 PolarHBondContact O-N 2.98Å; A577-A580 PolarHBondContact O-N 3.34Å
578	L	94.8	Very high	93.3	Very high	3 Å²	3	58 Å²	58	2%	0.016	33%	0.331	C	S	.	.	H	α-helix	trans	-73.8	-31.2	178.7	-66.3	179.5	0	0	0	112.8	V550 L559 L563 V574 K575 A576 A580 I581 I582 L597 L601	V550-L578 HydrophobicContact CG1-CD2 4Å; L559-L578 HydrophobicContact CB-CD1 4.3Å; L559-L578 HydrophobicContact CD1-CD2 3.99Å; L559-L578 HydrophobicContact CD2-CD2 4.49Å; L563-L578 HydrophobicContact CD1-CD1 4.01Å; L563-L578 HydrophobicContact CD2-CD1 4.15Å; L563-L578 HydrophobicContact CG-CD1 4.11Å; V574-L578 HydrophobicContact CG1-CD1 3.8Å; V574-L578 HydrophobicContact CG1-CG 4.2Å; V574-L578 WeakPolarHBondContact O-CB 3.41Å; V574-L578 VanDerWaalsContact O-CG 3.3Å; V574-L578 WeakPolarHBondContact O-CG 3.48Å; V574-L578 PolarHBondContact O-N 3.39Å; K575-L578 PolarHBondContact O-N 3.26Å; A576-L578 PolarHBondContact O-N 2.79Å; L578-A580 PolarHBondContact O-N 3.19Å; L578-I581 HydrophobicContact CD2-CD1 4.07Å; L578-I581 VanDerWaalsContact O-CG1 3.25Å; L578-I581 WeakPolarHBondContact O-CG1 3.33Å; L578-I581 PolarHBondContact O-N 3.08Å; L578-I581 VanDerWaalsContact O-N 3.11Å; L578-I582 PolarHBondContact O-N 2.91Å; L578-L597 HydrophobicContact CD1-CD1 3.97Å; L578-L597 HydrophobicContact CD1-CD2 4.26Å; L578-L597 HydrophobicContact CD1-CG 4.41Å; L578-L601 HydrophobicContact CB-CD1 3.99Å; L578-L601 HydrophobicContact CB-CD2 3.84Å; L578-L601 HydrophobicContact CD1-CD2 4.3Å
579	T	94.3	Very high	92.7	Very high	68 Å²	68	59.9 Å²	59.9	42%	0.417	33%	0.334	S	S	.	.	H	α-helix	trans	-60.6	-36.9	174.9	-60.1	0	0	0	0	111.2	K575 A576 I581 I582	K575-T579 WeakPolarHBondContact O-CB 3.28Å; K575-T579 PolarHBondContact O-N 2.66Å; K575-T579 PolarHBondContact O-OG1 3.19Å; A576-T579 PolarHBondContact O-N 2.95Å; T579-I581 PolarHBondContact O-N 3.46Å; T579-I582 HydrophobicContact CG2-CD1 3.84Å; T579-I582 WeakPolarHBondContact O-CG1 3.32Å; T579-I582 PolarHBondContact O-N 2.83Å
580	A	93.3	Very high	92.2	Very high	72 Å²	72	62.4 Å²	62.4	60%	0.595	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.1	177.6	0	0	0	0	0	114	A576 A577 L578	A576-A580 PolarHBondContact O-N 2.85Å; A577-A580 PolarHBondContact O-N 3.34Å; L578-A580 PolarHBondContact O-N 3.19Å
581	I	93.1	Very high	91.8	Very high	10 Å²	10	63.4 Å²	63.4	5%	0.051	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	16.4	-179.1	61.6	161.4	0	0	0	113.3	K547 V550 L578 T579 P583 E584 L585	K547-I581 HydrophobicContact CB-CD1 3.88Å; K547-I581 HydrophobicContact CD-CG2 3.83Å; K547-I581 HydrophobicContact CG-CD1 3.87Å; K547-I581 HydrophobicContact CG-CG1 4.44Å; K547-I581 HydrophobicContact CG-CG2 4.31Å; V550-I581 HydrophobicContact CG1-CD1 3.94Å; V550-I581 HydrophobicContact CG2-CD1 4.22Å; L578-I581 HydrophobicContact CD2-CD1 4.07Å; L578-I581 VanDerWaalsContact O-CG1 3.25Å; L578-I581 WeakPolarHBondContact O-CG1 3.33Å; L578-I581 PolarHBondContact O-N 3.08Å; L578-I581 VanDerWaalsContact O-N 3.11Å; T579-I581 PolarHBondContact O-N 3.46Å; I581-P583 VanDerWaalsContact C-CD 3.41Å; I581-P583 VanDerWaalsContact C-N 3.3Å; I581-E584 HydrophobicContact CB-CB 4.44Å; I581-E584 WeakPolarHBondContact O-CB 3.38Å; I581-E584 PolarHBondContact O-N 3.11Å; I581-L585 PolarHBondContact O-N 3.45Å
582	I	92.1	Very high	91.6	Very high	39 Å²	39	69.9 Å²	69.9	20%	0.2	37%	0.371	C	S	.	.	H	α-helix	trans	-50.2	-44.5	175.6	-74	169.4	0	0	0	112.7	L578 T579 E584 L585 Q586	L578-I582 PolarHBondContact O-N 2.91Å; T579-I582 HydrophobicContact CG2-CD1 3.84Å; T579-I582 WeakPolarHBondContact O-CG1 3.32Å; T579-I582 PolarHBondContact O-N 2.83Å; I582-E584 VanDerWaalsContact C-N 3.25Å; I582-E584 PolarHBondContact O-N 2.98Å; I582-L585 PolarHBondContact O-N 3.48Å; I582-Q586 HydrophobicContact CG2-CG 4.16Å; I582-Q586 WeakPolarHBondContact O-CB 3.44Å; I582-Q586 WeakPolarHBondContact O-CG 3.37Å; I582-Q586 PolarHBondContact O-N 3.1Å
583	P	90.6	Very high	91.3	Very high	73 Å²	73	67.1 Å²	67.1	47%	0.474	35%	0.348	S	S	.	.	H	α-helix	trans	-62.2	-32.6	179.1	-23.7	34.7	0	0	0	113.4	I581 R587	I581-P583 VanDerWaalsContact C-CD 3.41Å; I581-P583 VanDerWaalsContact C-N 3.3Å; P583-R587 WeakPolarHBondContact O-CG 3.4Å
584	E	88	Confident	91	Very high	117 Å²	117	63.6 Å²	63.6	55%	0.547	33%	0.332	S	S	.	.	H	α-helix	trans	-74.3	-44.3	175.1	-62.9	178.9	-167.2	0	0	110.4	I581 I582 Q586 R587	I581-E584 HydrophobicContact CB-CB 4.44Å; I581-E584 WeakPolarHBondContact O-CB 3.38Å; I581-E584 PolarHBondContact O-N 3.11Å; I582-E584 VanDerWaalsContact C-N 3.25Å; I582-E584 PolarHBondContact O-N 2.98Å; E584-Q586 VanDerWaalsContact C-N 3.33Å; E584-Q586 PolarHBondContact O-N 2.79Å; E584-R587 WeakPolarHBondContact O-CB 3.28Å; E584-R587 PolarHBondContact O-N 3.28Å
585	L	88.1	Confident	90.7	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-37.9	179.3	-174.9	61.7	0	0	0	112.3	V550 I581 I582 R587 I588 A594 L597 L598 L601	V550-L585 HydrophobicContact CB-CD1 3.9Å; V550-L585 HydrophobicContact CG1-CD1 4.16Å; I581-L585 PolarHBondContact O-N 3.45Å; I582-L585 PolarHBondContact O-N 3.48Å; L585-R587 PolarHBondContact O-N 2.9Å; L585-I588 HydrophobicContact CD1-CD1 4.24Å; L585-I588 WeakPolarHBondContact O-CB 3.37Å; L585-I588 PolarHBondContact O-N 3.33Å; L585-I588 VanDerWaalsContact O-N 3.09Å; L585-A594 HydrophobicContact CD1-CB 3.83Å; L585-L597 HydrophobicContact CD1-CD2 4.19Å; L585-L597 HydrophobicContact CD2-CB 4.49Å; L585-L597 HydrophobicContact CD2-CD2 3.99Å; L585-L597 HydrophobicContact CD2-CG 4.15Å; L585-L598 HydrophobicContact CB-CD2 4.19Å; L585-L598 HydrophobicContact CD2-CD2 3.51Å; L585-L598 HydrophobicContact CD2-CG 3.63Å; L585-L598 HydrophobicContact CG-CD1 4.17Å; L585-L598 HydrophobicContact CG-CD2 3.72Å; L585-L598 HydrophobicContact CG-CG 3.69Å; L585-L601 HydrophobicContact CD2-CD1 3.83Å
586	Q	89.3	Confident	90.5	Very high	132 Å²	132	67.4 Å²	67.4	62%	0.617	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.5	174.5	-75.8	176.7	-19.6	0	0	113.5	I582 E584 I588 L598	I582-Q586 HydrophobicContact CG2-CG 4.16Å; I582-Q586 WeakPolarHBondContact O-CB 3.44Å; I582-Q586 WeakPolarHBondContact O-CG 3.37Å; I582-Q586 PolarHBondContact O-N 3.1Å; E584-Q586 VanDerWaalsContact C-N 3.33Å; E584-Q586 PolarHBondContact O-N 2.79Å; Q586-I588 VanDerWaalsContact C-N 3.32Å; Q586-L598 HydrophobicContact CG-CD1 4.27Å; Q586-L598 HydrophobicContact CG-CD2 4.09Å
587	R	90.1	Very high	90.4	Very high	195 Å²	195	64.3 Å²	64.3	74%	0.736	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-13.6	175.4	-65.4	170.2	-174.8	173.5	2.1	112.6	P583 E584 L585 N589	P583-R587 WeakPolarHBondContact O-CG 3.4Å; E584-R587 WeakPolarHBondContact O-CB 3.28Å; E584-R587 PolarHBondContact O-N 3.28Å; L585-R587 PolarHBondContact O-N 2.9Å; R587-N589 PolarHBondContact O-N 2.88Å
588	I	87.5	Confident	90.2	Very high	34 Å²	34	65.2 Å²	65.2	17%	0.174	33%	0.33	C	S	.	.			trans	-86.6	100.2	179.4	-56.3	174.7	0	0	0	108.5	V550 L585 Q586 D590 A594	V550-I588 HydrophobicContact CB-CD1 4.2Å; V550-I588 HydrophobicContact CG2-CD1 3.67Å; L585-I588 HydrophobicContact CD1-CD1 4.24Å; L585-I588 WeakPolarHBondContact O-CB 3.37Å; L585-I588 PolarHBondContact O-N 3.33Å; L585-I588 VanDerWaalsContact O-N 3.09Å; Q586-I588 VanDerWaalsContact C-N 3.32Å; I588-D590 WeakPolarHBondContact CG2-OD1 3.14Å; I588-A594 HydrophobicContact CB-CB 4.07Å; I588-A594 HydrophobicContact CG2-CB 3.79Å
589	N	81.4	Confident	90	Very high	139 Å²	139	70.6 Å²	70.6	74%	0.743	36%	0.355	S	S	*	.			trans	-117.4	8.3	-179	63.2	-5.2	0	0	0	113.1	R587	R587-N589 PolarHBondContact O-N 2.88Å
590	D	84	Confident	89.7	Confident	120 Å²	120	68.7 Å²	68.7	64%	0.642	34%	0.342	S	S	*	.	S	Bend	trans	-88.6	-9.7	-176.1	66	-17.7	0	0	0	113.1	I588	I588-D590 WeakPolarHBondContact CG2-OD1 3.14Å
591	H	89.6	Confident	89.5	Confident	21 Å²	21	65.8 Å²	65.8	10%	0.097	32%	0.316	C	S	.	.			trans	-151.5	143	177.4	63.8	64	0	0	0	116.4	V550 V552 N553 G593 A594	V550-H591 PolarHBondContact O-CE1 2.89Å; V550-H591 PolarHBondContact O-NE2 2.99Å; V550-H591 VanDerWaalsContact O-NE2 3.12Å; V552-H591 VanDerWaalsContact C-NE2 3.3Å; V552-H591 WeakPolarHBondContact CA-NE2 3.34Å; V552-H591 PolarHBondContact N-NE2 3.39Å; N553-H591 HydrophobicContact CB-CB 3.78Å; N553-H591 PolarHBondContact N-CD2 3.37Å; N553-H591 PolarHBondContact N-NE2 2.95Å; H591-G593 PolarHBondContact O-N 3.37Å; H591-G593 VanDerWaalsContact O-N 3.13Å; H591-A594 PolarHBondContact ND1-N 3.49Å; H591-A594 PolarHBondContact O-N 3.25Å
592	K	91.3	Very high	88.9	Confident	154 Å²	154	71.5 Å²	71.5	67%	0.67	35%	0.347	S	S	*	.	H	α-helix	trans	-58.3	-28.9	-179.1	-65.9	-173.9	176.4	-174.3	0	114.6	A594 E595 I596	K592-A594 VanDerWaalsContact C-N 3.26Å; K592-A594 PolarHBondContact O-N 3.28Å; K592-E595 WeakPolarHBondContact O-CB 3.41Å; K592-E595 PolarHBondContact O-N 3.03Å; K592-I596 WeakPolarHBondContact O-CG1 3.24Å; K592-I596 PolarHBondContact O-N 2.67Å
593	G	89.9	Confident	88	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-59.9	-34.3	179.4	0	0	0	0	0	113.5	N553 A556 H591 L597	N553-G593 PolarHBondContact OD1-N 2.87Å; A556-G593 VanDerWaalsContact CB-C 3.49Å; A556-G593 WeakPolarHBondContact CB-O 3.49Å; H591-G593 PolarHBondContact O-N 3.37Å; H591-G593 VanDerWaalsContact O-N 3.13Å; G593-L597 VanDerWaalsContact O-CB 3.31Å; G593-L597 WeakPolarHBondContact O-CB 3.49Å; G593-L597 PolarHBondContact O-N 2.91Å
594	A	90.1	Very high	87.9	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-71.1	-41.7	178	0	0	0	0	0	110.9	L585 I588 H591 K592 I596 L597 L598	L585-A594 HydrophobicContact CD1-CB 3.83Å; I588-A594 HydrophobicContact CB-CB 4.07Å; I588-A594 HydrophobicContact CG2-CB 3.79Å; H591-A594 PolarHBondContact ND1-N 3.49Å; H591-A594 PolarHBondContact O-N 3.25Å; K592-A594 VanDerWaalsContact C-N 3.26Å; K592-A594 PolarHBondContact O-N 3.28Å; A594-I596 PolarHBondContact O-N 3.32Å; A594-L597 PolarHBondContact O-N 3.04Å; A594-L598 WeakPolarHBondContact O-CG 3.39Å; A594-L598 PolarHBondContact O-N 3.48Å
595	E	90.3	Very high	87.9	Confident	100 Å²	100	76.6 Å²	76.6	47%	0.467	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-47.3	175.1	-59.8	174.7	173.9	0	0	111.3	K592 L597 L598 Q599	K592-E595 WeakPolarHBondContact O-CB 3.41Å; K592-E595 PolarHBondContact O-N 3.03Å; E595-L597 VanDerWaalsContact C-N 3.33Å; E595-L597 PolarHBondContact O-N 3.21Å; E595-L598 PolarHBondContact O-N 3.44Å; E595-Q599 VanDerWaalsContact O-CG 3.32Å; E595-Q599 WeakPolarHBondContact O-CG 3.41Å; E595-Q599 PolarHBondContact O-N 2.74Å
596	I	92.1	Very high	87.8	Confident	62 Å²	62	80.8 Å²	80.8	32%	0.318	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-40.4	177.8	-64.7	167.8	0	0	0	110.7	M557 K592 A594 Q599 N600	M557-I596 HydrophobicContact SD-CD1 4.03Å; K592-I596 WeakPolarHBondContact O-CG1 3.24Å; K592-I596 PolarHBondContact O-N 2.67Å; A594-I596 PolarHBondContact O-N 3.32Å; I596-Q599 PolarHBondContact O-N 3.1Å; I596-N600 PolarHBondContact O-N 3.01Å; I596-N600 PolarHBondContact O-ND2 3.34Å
597	L	92.9	Very high	87.8	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-63.2	-44.4	177.7	-172.5	64.9	0	0	0	111.6	V550 A556 L559 C560 L563 L578 L585 G593 A594 E595 Q599 N600 L601	V550-L597 HydrophobicContact CG1-CD2 3.83Å; A556-L597 HydrophobicContact CB-CD2 4.37Å; L559-L597 HydrophobicContact CB-CD1 3.87Å; L559-L597 HydrophobicContact CB-CD2 4.18Å; L559-L597 HydrophobicContact CD1-CD2 3.97Å; C560-L597 HydrophobicContact CB-CD1 4.49Å; C560-L597 VanDerWaalsContact SG-CA 3.58Å; C560-L597 VanDerWaalsContact SG-CD1 3.56Å; L563-L597 HydrophobicContact CD1-CD1 3.5Å; L563-L597 VanDerWaalsContact CD1-CD1 3.5Å; L563-L597 HydrophobicContact CG-CD1 4.48Å; L578-L597 HydrophobicContact CD1-CD1 3.97Å; L578-L597 HydrophobicContact CD1-CD2 4.26Å; L578-L597 HydrophobicContact CD1-CG 4.41Å; L585-L597 HydrophobicContact CD1-CD2 4.19Å; L585-L597 HydrophobicContact CD2-CB 4.49Å; L585-L597 HydrophobicContact CD2-CD2 3.99Å; L585-L597 HydrophobicContact CD2-CG 4.15Å; G593-L597 VanDerWaalsContact O-CB 3.31Å; G593-L597 WeakPolarHBondContact O-CB 3.49Å; G593-L597 PolarHBondContact O-N 2.91Å; A594-L597 PolarHBondContact O-N 3.04Å; E595-L597 VanDerWaalsContact C-N 3.33Å; E595-L597 PolarHBondContact O-N 3.21Å; L597-Q599 PolarHBondContact O-N 2.96Å; L597-N600 PolarHBondContact O-N 3.34Å; L597-L601 HydrophobicContact CG-CD1 4.44Å; L597-L601 WeakPolarHBondContact O-CG 3.47Å; L597-L601 PolarHBondContact O-N 3.29Å
598	L	91.9	Very high	87.6	Confident	30 Å²	30	70.5 Å²	70.5	16%	0.157	34%	0.344	C	S	.	.	H	α-helix	trans	-59.8	-44	174.2	-76.6	166.4	0	0	0	112	L585 Q586 A594 E595 N600 L601 N602	L585-L598 HydrophobicContact CB-CD2 4.19Å; L585-L598 HydrophobicContact CD2-CD2 3.51Å; L585-L598 HydrophobicContact CD2-CG 3.63Å; L585-L598 HydrophobicContact CG-CD1 4.17Å; L585-L598 HydrophobicContact CG-CD2 3.72Å; L585-L598 HydrophobicContact CG-CG 3.69Å; Q586-L598 HydrophobicContact CG-CD1 4.27Å; Q586-L598 HydrophobicContact CG-CD2 4.09Å; A594-L598 WeakPolarHBondContact O-CG 3.39Å; A594-L598 PolarHBondContact O-N 3.48Å; E595-L598 PolarHBondContact O-N 3.44Å; L598-N600 VanDerWaalsContact C-N 3.28Å; L598-N600 PolarHBondContact O-N 2.89Å; L598-L601 PolarHBondContact O-N 3.07Å; L598-N602 VanDerWaalsContact O-CG 3.3Å; L598-N602 PolarHBondContact O-N 2.82Å; L598-N602 VanDerWaalsContact O-N 3.15Å; L598-N602 PolarHBondContact O-ND2 3.28Å
599	Q	89.6	Confident	87.6	Confident	117 Å²	117	72.9 Å²	72.9	55%	0.547	36%	0.356	S	S	.	.	H	α-helix	trans	-60.6	-38.5	176.6	-72.2	172.4	7.3	0	0	112.1	E595 I596 L597 K603	E595-Q599 VanDerWaalsContact O-CG 3.32Å; E595-Q599 WeakPolarHBondContact O-CG 3.41Å; E595-Q599 PolarHBondContact O-N 2.74Å; I596-Q599 PolarHBondContact O-N 3.1Å; L597-Q599 PolarHBondContact O-N 2.96Å; Q599-K603 WeakPolarHBondContact O-CG 3.43Å; Q599-K603 PolarHBondContact O-N 3.26Å
600	N	88.3	Confident	88.1	Confident	27 Å²	27	68.2 Å²	68.2	14%	0.144	33%	0.328	C	S	.	.	H	α-helix	trans	-74.8	-30.1	178	-73.1	-30.7	0	0	0	113.3	L563 I596 L597 L598 N602 K603	L563-N600 HydrophobicContact CD1-CB 4.32Å; I596-N600 PolarHBondContact O-N 3.01Å; I596-N600 PolarHBondContact O-ND2 3.34Å; L597-N600 PolarHBondContact O-N 3.34Å; L598-N600 VanDerWaalsContact C-N 3.28Å; L598-N600 PolarHBondContact O-N 2.89Å; N600-N602 VanDerWaalsContact C-N 3.31Å; N600-K603 PolarHBondContact O-N 2.92Å
601	L	89.1	Confident	88.4	Confident	11 Å²	11	64.2 Å²	64.2	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-69.4	-31.4	174.4	-73.3	168.5	0	0	0	112.6	L563 K575 L578 L585 L597 L598 K603	L563-L601 HydrophobicContact CD1-CD2 3.71Å; L563-L601 HydrophobicContact CD1-CG 3.96Å; L563-L601 HydrophobicContact CD2-CD2 3.95Å; K575-L601 WeakPolarHBondContact CE-O 3.33Å; K575-L601 HydrophobicContact CG-CD2 4.1Å; L578-L601 HydrophobicContact CB-CD1 3.99Å; L578-L601 HydrophobicContact CB-CD2 3.84Å; L578-L601 HydrophobicContact CD1-CD2 4.3Å; L585-L601 HydrophobicContact CD2-CD1 3.83Å; L597-L601 HydrophobicContact CG-CD1 4.44Å; L597-L601 WeakPolarHBondContact O-CG 3.47Å; L597-L601 PolarHBondContact O-N 3.29Å; L598-L601 PolarHBondContact O-N 3.07Å; L601-K603 VanDerWaalsContact C-N 3.3Å
602	N	80.1	Confident	88.3	Confident	131 Å²	131	67.8 Å²	67.8	70%	0.701	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.5	178.3	-66.7	-25.6	0	0	0	113.7	L598 N600	L598-N602 VanDerWaalsContact O-CG 3.3Å; L598-N602 PolarHBondContact O-N 2.82Å; L598-N602 VanDerWaalsContact O-N 3.15Å; L598-N602 PolarHBondContact O-ND2 3.28Å; N600-N602 VanDerWaalsContact C-N 3.31Å
603	K	73.6	Confident	88	Confident	182 Å²	182	60 Å²	60	79%	0.791	29%	0.289	S	S	*	.			trans	-89	0	166.8	-69.3	171.5	179.7	170.4	0	109.4	K575 Q599 N600 L601	K575-K603 PolarHBondContact NZ-OXT 2.98Å; Q599-K603 WeakPolarHBondContact O-CG 3.43Å; Q599-K603 PolarHBondContact O-N 3.26Å; N600-K603 PolarHBondContact O-N 2.92Å; L601-K603 VanDerWaalsContact C-N 3.3Å

Retrieved 603 of 603 residues in 838 ms (Link to these results)

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