A0A087XK17_POEFO Loading...

Rho guanine nucleotide exchange factor 9

Acts as a guanine nucleotide exchange factor (GEF) for CDC42. Promotes formation of GPHN clusters.

AlphaFold DB , UniProt , Accession A0A087XK17, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 629 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	32.1	Very low	33.2	Very low	230 Å²	230	147.5 Å²	147.5	100%	1.133	81%	0.805	S	S	*	*				0	95.8	0	-71.4	-178.4	-178.6	0	0	106.8
2	L	31.8	Very low	33	Very low	145 Å²	145	143 Å²	143	76%	0.759	80%	0.803	S	S	*	*				77.8	117.8	107.6	-64.6	161.7	0	0	0	110.2
3	H	30.5	Very low	32.8	Very low	170 Å²	170	151.4 Å²	151.4	79%	0.787	81%	0.814	S	S	*	*			cis	-161.2	138.5	12	-118.5	-68.6	0	0	0	109.3
4	S	32.7	Very low	32.6	Very low	101 Å²	101	148.6 Å²	148.6	71%	0.706	81%	0.812	S	S	*	*			trans	-98.2	-170.2	146	-46.3	0	0	0	0	107.6
5	P	55	Low	32.7	Very low	124 Å²	124	153.7 Å²	153.7	81%	0.805	82%	0.815	S	S	*	*			cis	-143.1	-175.6	-6	33.7	-10.5	0	0	0	114.9
6	G	28.3	Very low	32.7	Very low	84 Å²	84	152.2 Å²	152.2	87%	0.866	82%	0.816	S	S	*	*			trans	-154.8	103.8	158.5	0	0	0	0	0	111.3
7	Q	32.3	Very low	32.5	Very low	158 Å²	158	149.8 Å²	149.8	74%	0.738	81%	0.813	S	S	*	*			trans	-129.8	159.6	-173.9	-158.5	-169.4	40.2	0	0	108.5
8	R	32.3	Very low	32.3	Very low	186 Å²	186	147.8 Å²	147.8	70%	0.702	81%	0.812	S	S	*	*			trans	98.1	143.4	160.6	-61.7	-180	-172.5	-163.3	1.7	115.8
9	R	30	Very low	32.1	Very low	197 Å²	197	146.3 Å²	146.3	74%	0.743	81%	0.807	S	S	*	*			cis	-168	145.7	13.4	-124.1	167.8	178	-175.9	-4.2	111
10	T	31.1	Very low	32	Very low	123 Å²	123	147.8 Å²	147.8	76%	0.755	81%	0.811	S	S	*	*			trans	12.6	138	138.6	59.1	0	0	0	0	121.9
11	A	29.1	Very low	31.7	Very low	104 Å²	104	148.4 Å²	148.4	86%	0.86	81%	0.809	S	S	*	*				174	146.5	108	0	0	0	0	0	113.4
12	A	31.2	Very low	31.5	Very low	94 Å²	94	145.2 Å²	145.2	78%	0.777	80%	0.796	S	S	*	*			trans	-89.2	155	173.1	0	0	0	0	0	112.4
13	R	30.2	Very low	31.3	Very low	252 Å²	252	143 Å²	143	95%	0.951	79%	0.793	S	S	*	*			trans	177.4	165.8	133.8	-102.4	175.6	175.5	-172.3	-1.6	114.1
14	S	29.4	Very low	31.1	Very low	112 Å²	112	140.8 Å²	140.8	78%	0.783	79%	0.791	S	S	*	*			trans	-70.7	170.2	-158.8	58.2	0	0	0	0	119.5
15	R	34.1	Very low	30.9	Very low	226 Å²	226	141.7 Å²	141.7	85%	0.853	79%	0.792	S	S	*	*			trans	-36.5	160.8	166.6	-61.8	-179.2	175.3	-176.1	-2.4	116.5
16	P	33.6	Very low	29.5	Very low	129 Å²	129	145.7 Å²	145.7	84%	0.838	79%	0.792	S	S	*	*				-139.8	166.7	111.6	36.3	-22.1	0	0	0	115.9
17	C	28.7	Very low	29.4	Very low	112 Å²	112	148.4 Å²	148.4	76%	0.757	78%	0.782	S	S	*	*			trans	-85	157.8	175.1	-58.4	0	0	0	0	113.7
18	S	28.5	Very low	29.3	Very low	114 Å²	114	146.9 Å²	146.9	80%	0.797	78%	0.783	S	S	*	*			trans	-167.8	126.4	141.7	53.2	0	0	0	0	106.7
19	V	29.1	Very low	28.9	Very low	119 Å²	119	147 Å²	147	72%	0.721	79%	0.792	S	S	*	*			cis	68.6	103	48.9	-170.2	0	0	0	0	113.4
20	I	29.7	Very low	28.9	Very low	175 Å²	175	143 Å²	143	90%	0.897	79%	0.794	S	S	*	*			trans	-139.4	114.3	141	-62.1	-176	0	0	0	107.4
21	E	26.1	Very low	28.7	Very low	162 Å²	162	144 Å²	144	76%	0.757	80%	0.8	S	S	*	*			trans	-83.8	155.4	162.2	-74	178.4	138.6	0	0	110
22	N	27.6	Very low	28.6	Very low	162 Å²	162	147.1 Å²	147.1	87%	0.866	80%	0.797	S	S	*	*				-157.3	137.6	119.9	-100.2	-11.1	0	0	0	111.6
23	S	27.8	Very low	28.5	Very low	99 Å²	99	149.4 Å²	149.4	69%	0.692	80%	0.796	S	S	*	*			trans	-65.6	165.3	177.9	46.7	0	0	0	0	112.6
24	V	26.9	Very low	28.8	Very low	124 Å²	124	142.9 Å²	142.9	75%	0.752	79%	0.786	S	S	*	*				-169.2	147.1	74.8	166.4	0	0	0	0	111
25	T	27.4	Very low	29	Very low	119 Å²	119	146.1 Å²	146.1	73%	0.73	79%	0.788	S	S	*	*			trans	-39.6	161.7	167.1	53.7	0	0	0	0	116.5
26	R	27	Very low	28.7	Very low	209 Å²	209	146.4 Å²	146.4	79%	0.789	79%	0.789	S	S	*	*				176.1	161.9	50.1	-143.2	179.2	179.3	-159.7	9.7	110.2
27	E	25.1	Very low	28.6	Very low	140 Å²	140	144.7 Å²	144.7	65%	0.654	79%	0.786	S	S	*	*			trans	85.3	119.8	148.6	-84.1	162.9	-143.7	0	0	123.4
28	T	29.8	Very low	28.7	Very low	126 Å²	126	146.5 Å²	146.5	77%	0.773	79%	0.787	S	S	*	*			trans	-11.1	137.9	148.9	28.4	0	0	0	0	120.6
29	Q	25.2	Very low	28.7	Very low	188 Å²	188	146 Å²	146	88%	0.879	78%	0.784	S	S	*	*				-174.2	140.5	121.1	-104.6	172.9	18.7	0	0	113.4
30	S	29.6	Very low	28.7	Very low	115 Å²	115	151.7 Å²	151.7	80%	0.804	79%	0.792	S	S	*	*			trans	-77.4	142.8	171	-25.9	0	0	0	0	111
31	T	26.6	Very low	28.8	Very low	142 Å²	142	148.6 Å²	148.6	87%	0.871	78%	0.783	S	S	*	*			trans	-158.4	141.5	153.2	-26.3	0	0	0	0	112.2
32	E	26.8	Very low	29.2	Very low	170 Å²	170	147.1 Å²	147.1	79%	0.794	79%	0.788	S	S	*	*			trans	-77.5	151.6	-174.2	-65.2	176.9	136	0	0	116.1
33	L	30.4	Very low	29.2	Very low	143 Å²	143	142.9 Å²	142.9	75%	0.749	78%	0.782	S	S	*	*			trans	62.3	164.1	142.2	-67.8	170.2	0	0	0	119.7
34	P	35	Very low	29.1	Very low	115 Å²	115	144.7 Å²	144.7	75%	0.747	79%	0.789	S	S	*	*			cis	-139.4	172.6	13.7	38.4	-17.4	0	0	0	118
35	H	34.2	Very low	29.7	Very low	180 Å²	180	144.6 Å²	144.6	83%	0.833	79%	0.794	S	S	*	*			trans	-55	145.4	163.3	-73.5	-87.8	0	0	0	113.6
36	R	27	Very low	29.9	Very low	232 Å²	232	143.7 Å²	143.7	88%	0.875	79%	0.79	S	S	*	*			trans	-148.9	121.6	157.2	-144	174.8	-172.6	177.6	2.5	112.7
37	A	33	Very low	30	Very low	93 Å²	93	141.7 Å²	141.7	77%	0.769	79%	0.794	S	S	*	*			trans	-83.8	134.9	167.2	0	0	0	0	0	110.6
38	L	29.5	Very low	30.6	Very low	150 Å²	150	143.9 Å²	143.9	79%	0.785	81%	0.805	S	S	*	*			trans	-164.9	149.3	159.4	-68.8	179.1	0	0	0	106.8
39	S	28.7	Very low	30.6	Very low	103 Å²	103	143.8 Å²	143.8	72%	0.72	81%	0.806	S	S	*	*			cis	-178	149.5	-17.5	-77.5	0	0	0	0	105.1
40	R	30.2	Very low	31	Very low	239 Å²	239	140.2 Å²	140.2	90%	0.902	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-59.1	142.5	175.7	-175	-178.6	-173.1	-178.4	4.6	113.6
41	P	31.9	Very low	30.9	Very low	109 Å²	109	143.7 Å²	143.7	71%	0.708	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-86.7	153.2	165.5	-1.3	20	0	0	0	112.8
42	P	33.8	Very low	30.9	Very low	131 Å²	131	148.2 Å²	148.2	85%	0.851	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-81.4	153.7	-166.4	34.8	-34.7	0	0	0	113
43	G	26.9	Very low	30.9	Very low	73 Å²	73	145.2 Å²	145.2	75%	0.753	81%	0.808	S	S	*	*			trans	-95.1	-176.1	-165	0	0	0	0	0	117.4
44	V	26	Very low	30.7	Very low	137 Å²	137	143.2 Å²	143.2	83%	0.83	81%	0.806	S	S	*	*			trans	-150	122.7	150.7	-173.7	0	0	0	0	106.7
45	S	39.8	Very low	30.3	Very low	123 Å²	123	146.1 Å²	146.1	86%	0.86	81%	0.814	S	S	*	*			trans	-85	134.6	164.9	-72.3	0	0	0	0	109.4
46	P	32.2	Very low	29.8	Very low	100 Å²	100	145.9 Å²	145.9	65%	0.649	81%	0.813	S	S	*	*			trans	-136.2	130.3	145.1	17.8	4.2	0	0	0	114.1
47	L	29.4	Very low	29.8	Very low	167 Å²	167	146 Å²	146	87%	0.874	81%	0.814	S	S	*	*			trans	70.9	124.2	132.6	-68.6	152.8	0	0	0	120.2
48	E	35.7	Very low	29.5	Very low	186 Å²	186	147.5 Å²	147.5	87%	0.869	82%	0.817	S	S	*	*			trans	-45.6	147.7	164	-69.6	179.1	127.6	0	0	112.9
49	P	30.3	Very low	29.4	Very low	123 Å²	123	151.6 Å²	151.6	80%	0.799	82%	0.822	S	S	*	*			trans	-93.1	149.5	152.2	28.7	-18.8	0	0	0	111.8
50	P	33.3	Very low	29.3	Very low	114 Å²	114	152.3 Å²	152.3	74%	0.74	83%	0.828	S	S	*	*			trans	-96.6	167.6	-159.2	39.7	-36.6	0	0	0	114.2
51	Q	28.3	Very low	29.3	Very low	187 Å²	187	148.7 Å²	148.7	87%	0.874	83%	0.825	S	S	*	*			trans	79.2	92.6	156.7	-70.6	176	-0.2	0	0	119.7
52	R	27.3	Very low	29.2	Very low	238 Å²	238	149.1 Å²	149.1	90%	0.898	83%	0.828	S	S	*	*			trans	-45.5	130.3	138.2	-80.4	175.8	168.5	155.2	-1.6	111.6
53	A	25.8	Very low	29.1	Very low	107 Å²	107	150.9 Å²	150.9	88%	0.884	83%	0.829	S	S	*	*			trans	-96	119.5	145	0	0	0	0	0	108.4
54	S	26.6	Very low	29.3	Very low	101 Å²	101	152.4 Å²	152.4	71%	0.706	83%	0.826	S	S	*	*			trans	-81.4	127.6	179	-46.5	0	0	0	0	109.7
55	L	25.3	Very low	29.8	Very low	175 Å²	175	151.9 Å²	151.9	92%	0.916	83%	0.826	S	S	*	*			trans	-126.5	135.9	153	-89.4	169.7	0	0	0	109.9
56	Q	25.7	Very low	29.2	Very low	175 Å²	175	151 Å²	151	82%	0.818	82%	0.819	S	S	*	*			trans	-73.5	142.7	-153.8	-71.6	166.4	-47	0	0	113.9	C58	Q56-C58 PolarHBondContact O-N 3.48Å
57	R	26.7	Very low	29	Very low	235 Å²	235	152.5 Å²	152.5	89%	0.887	83%	0.827	S	S	*	*			trans	-61.5	106.5	160.5	-176.4	-173.1	-104	-179.2	-8	109.5
58	C	25.1	Very low	29.1	Very low	124 Å²	124	152.4 Å²	152.4	84%	0.838	83%	0.826	S	S	*	*			trans	-89.8	119.8	156.7	-77.9	0	0	0	0	108.9	Q56	Q56-C58 PolarHBondContact O-N 3.48Å
59	R	28.3	Very low	28.8	Very low	236 Å²	236	150.4 Å²	150.4	89%	0.891	83%	0.827	S	S	*	*			trans	-65.8	139	176.6	-69.7	173.5	165.2	176	-4.8	110.5
60	S	27.5	Very low	28.6	Very low	119 Å²	119	148.9 Å²	148.9	83%	0.832	82%	0.824	S	S	*	*			trans	-112.4	129.3	154.4	53.2	0	0	0	0	109.5
61	L	29.2	Very low	28.4	Very low	162 Å²	162	152.3 Å²	152.3	85%	0.848	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-65.6	160.1	-175.8	-81.5	137.1	0	0	0	113.5
62	P	29.6	Very low	28.6	Very low	119 Å²	119	147.5 Å²	147.5	77%	0.773	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-77.8	138.6	177.8	31.6	-31.2	0	0	0	111.7
63	L	31.5	Very low	28.5	Very low	168 Å²	168	144 Å²	144	88%	0.88	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-81.5	145.8	171	-77.1	160.7	0	0	0	110.8
64	P	32.1	Very low	28.6	Very low	104 Å²	104	146.7 Å²	146.7	68%	0.675	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-81.7	160.1	-166.2	32.5	-35.5	0	0	0	114.2
65	P	36.6	Very low	28.5	Very low	127 Å²	127	149.7 Å²	149.7	83%	0.825	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-88.6	127.2	178.3	33.8	-28.5	0	0	0	111.1
66	S	27.2	Very low	28.7	Very low	104 Å²	104	147.3 Å²	147.3	73%	0.727	83%	0.827	S	S	*	*			trans	-142.7	94.1	164.3	-42.2	0	0	0	0	110.3
67	T	27.5	Very low	28.6	Very low	132 Å²	132	145.6 Å²	145.6	81%	0.81	83%	0.829	S	S	*	*			trans	56.4	101.5	132.8	-10	0	0	0	0	119.6	T69	T67-T69 PolarHBondContact O-N 3.41Å
68	L	30.8	Very low	28.6	Very low	165 Å²	165	139.7 Å²	139.7	86%	0.864	82%	0.823	S	S	*	*			trans	-7.3	114.5	133.8	-65.7	166.9	0	0	0	115.2
69	T	29.8	Very low	28.7	Very low	144 Å²	144	140.9 Å²	140.9	88%	0.883	83%	0.827	S	S	*	*			trans	-170.8	147	131.8	-41.9	0	0	0	0	107.7	T67	T67-T69 PolarHBondContact O-N 3.41Å
70	A	27.4	Very low	28.5	Very low	90 Å²	90	136.2 Å²	136.2	74%	0.744	82%	0.819	S	S	*	*			trans	97.4	43.9	171.3	0	0	0	0	0	118.6
71	L	27.2	Very low	28.3	Very low	187 Å²	187	139.4 Å²	139.4	98%	0.979	82%	0.823	S	S	*	*			trans	-126.9	45.5	149.9	-82.5	173	0	0	0	111.3
72	A	33.2	Very low	28.1	Very low	86 Å²	86	134.6 Å²	134.6	71%	0.711	81%	0.813	S	S	*	*			trans	-127.4	93	156.6	0	0	0	0	0	105
73	L	26.1	Very low	27.9	Very low	163 Å²	163	137.9 Å²	137.9	85%	0.853	82%	0.818	S	S	*	*			trans	177.8	131.1	154.3	-94.9	171.9	0	0	0	108
74	L	26.7	Very low	27.6	Very low	164 Å²	164	135.8 Å²	135.8	86%	0.859	82%	0.817	S	S	*	*			trans	90.3	61	166.3	-48.1	173	0	0	0	117.5
75	L	25.1	Very low	27.2	Very low	165 Å²	165	136.7 Å²	136.7	86%	0.864	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-80.9	136.7	131.5	-93.4	123.8	0	0	0	108.3	T77	L75-T77 PolarHBondContact O-N 3.44Å
76	P	28.7	Very low	26.7	Very low	125 Å²	125	136.3 Å²	136.3	81%	0.812	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-72.5	124.8	173	-11.2	26.1	0	0	0	110.9
77	T	25.3	Very low	26.5	Very low	138 Å²	138	136.7 Å²	136.7	85%	0.847	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-77.5	130.2	165.9	38.2	0	0	0	0	110.8	L75	L75-T77 PolarHBondContact O-N 3.44Å
78	S	26.2	Very low	26.3	Very low	111 Å²	111	137 Å²	137	78%	0.776	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-61.9	146.2	166.7	47.6	0	0	0	0	112.7
79	V	26	Very low	26.1	Very low	150 Å²	150	140.7 Å²	140.7	91%	0.909	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-84.8	126.7	160.4	-171.7	0	0	0	0	107.9
80	D	24.7	Very low	25.9	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-84.7	153.2	-177.6	-173.6	20.9	0	0	0	111.7
81	M	24.1	Very low	25.7	Very low	186 Å²	186	148 Å²	148	92%	0.916	84%	0.837	S	S	*	*			trans	-173.2	118	141.4	-98.7	-54.9	-169.2	0	0	110.1
82	G	24.4	Very low	25.5	Very low	61 Å²	61	145.2 Å²	145.2	63%	0.629	83%	0.833	S	S	*	*			trans	127.8	69.2	139.3	0	0	0	0	0	119.1
83	Q	25.9	Very low	25	Very low	188 Å²	188	145 Å²	145	88%	0.879	84%	0.839	S	S	*	*			trans	36.1	121	134.9	-59	179.6	7.6	0	0	120
84	S	25.3	Very low	25	Very low	124 Å²	124	141.1 Å²	141.1	87%	0.867	84%	0.838	S	S	*	*				179.9	137.2	104.2	33.5	0	0	0	0	112.7
85	S	24	Very low	24.9	Very low	123 Å²	123	139 Å²	139	86%	0.86	84%	0.837	S	S	*	*			trans	-74.8	146	-176.7	-56.3	0	0	0	0	113.7
86	S	25.4	Very low	25	Very low	120 Å²	120	137.3 Å²	137.3	84%	0.839	83%	0.833	S	S	*	*			trans	-165.2	118.3	130.7	55.9	0	0	0	0	112
87	S	22.6	Very low	24.9	Very low	112 Å²	112	137 Å²	137	78%	0.783	84%	0.835	S	S	*	*			trans	-79.4	137.4	168.1	54.3	0	0	0	0	111.7
88	V	24.6	Very low	24.8	Very low	139 Å²	139	136 Å²	136	84%	0.842	83%	0.831	S	S	*	*			trans	-142.4	118.2	150	-178.3	0	0	0	0	109.2
89	R	25.4	Very low	24.9	Very low	241 Å²	241	142.4 Å²	142.4	91%	0.909	84%	0.839	S	S	*	*			trans	-87.9	141.7	159.2	-80.5	-178.7	-175.5	-179.9	2	108
90	L	25.4	Very low	24.8	Very low	162 Å²	162	146.9 Å²	146.9	85%	0.848	84%	0.839	S	S	*	*			trans	-161.2	135.1	139.4	-102.4	153.1	0	0	0	113.1
91	R	24	Very low	24.8	Very low	227 Å²	227	150.3 Å²	150.3	86%	0.857	85%	0.848	S	S	*	*			trans	-17.7	130	172	-72	171.8	163.6	-157.4	-4.7	122.2
92	S	22.9	Very low	24.8	Very low	128 Å²	128	152.1 Å²	152.1	90%	0.895	84%	0.844	S	S	*	*				37.8	119.4	114.3	-170.3	0	0	0	0	121.3
93	G	23.2	Very low	24.8	Very low	81 Å²	81	157.8 Å²	157.8	84%	0.835	86%	0.859	S	S	*	*			trans	151.4	113.9	143.4	0	0	0	0	0	114.3
94	G	24.5	Very low	24.7	Very low	81 Å²	81	156.1 Å²	156.1	84%	0.835	86%	0.856	S	S	*	*			trans	148.6	91.4	165.5	0	0	0	0	0	115.1
95	S	25.5	Very low	24.6	Very low	120 Å²	120	161.8 Å²	161.8	84%	0.839	86%	0.858	S	S	*	*			trans	-68.7	126	176.1	-178.3	0	0	0	0	112.2
96	T	26.2	Very low	24.5	Very low	129 Å²	129	162.5 Å²	162.5	79%	0.791	86%	0.86	S	S	*	*			trans	-144.2	137.1	144.3	37.7	0	0	0	0	109.6	C98	T96-C98 PolarHBondContact O-N 2.69Å
97	S	27	Very low	24.5	Very low	120 Å²	120	159.6 Å²	159.6	84%	0.839	85%	0.849	S	S	*	*			trans	-71.3	109.7	-168.1	-178.8	0	0	0	0	112.2
98	C	24.1	Very low	25	Very low	115 Å²	115	160 Å²	160	78%	0.777	85%	0.852	S	S	*	*			trans	-104.4	111	167.3	-56.3	0	0	0	0	108.8	T96 R100	T96-C98 PolarHBondContact O-N 2.69Å; C98-R100 PolarHBondContact O-N 2.76Å
99	R	26.9	Very low	25.2	Very low	246 Å²	246	162.3 Å²	162.3	93%	0.928	85%	0.854	S	S	*	*			trans	-56.8	108.5	171.6	-86.5	179.5	171.5	179.6	-2.3	109.7	K101	R99-K101 PolarHBondContact O-N 3.15Å
100	R	23.6	Very low	25.8	Very low	245 Å²	245	154.8 Å²	154.8	93%	0.925	84%	0.836	S	S	*	*			trans	-53.7	113.7	162.8	-79.8	176.8	170.1	171.4	-3.6	109.4	C98	C98-R100 PolarHBondContact O-N 2.76Å
101	K	26.8	Very low	26.9	Very low	208 Å²	208	150.4 Å²	150.4	90%	0.904	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-81	128.7	155.8	-79.1	-175.3	177.9	178.9	0	108.2	R99	R99-K101 PolarHBondContact O-N 3.15Å
102	R	24.1	Very low	28.4	Very low	224 Å²	224	147.4 Å²	147.4	85%	0.845	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-57.1	138.9	178.7	-87.1	175.7	178	168.5	-0.7	111.2	L104	R102-L104 PolarHBondContact O-N 3.23Å
103	L	24	Very low	29.9	Very low	181 Å²	181	142 Å²	142	95%	0.948	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-59.7	122.5	152.3	-82.3	141.1	0	0	0	108.9
104	L	23.5	Very low	31.3	Very low	153 Å²	153	139.3 Å²	139.3	80%	0.801	74%	0.737	S	S	*	*			trans	-120.8	139.4	167.8	-75.3	167.6	0	0	0	108.8	R102	R102-L104 PolarHBondContact O-N 3.23Å
105	R	22	Very low	32.8	Very low	242 Å²	242	140.5 Å²	140.5	91%	0.913	72%	0.723	S	S	*	*			trans	-66	154.9	178.3	-80.3	177	169.4	174.7	-4.4	111.5	G107	R105-G107 PolarHBondContact O-N 3.13Å
106	P	23.9	Very low	34.3	Very low	138 Å²	138	138.2 Å²	138.2	90%	0.896	70%	0.701	S	S	*	*			trans	-76.4	122.1	-176.5	30.4	-31.6	0	0	0	111
107	G	23.9	Very low	35.9	Very low	60 Å²	60	133.9 Å²	133.9	62%	0.619	67%	0.673	S	S	*	*	S	Bend	trans	-171.9	109.9	172.7	0	0	0	0	0	108.4	R105	R105-G107 PolarHBondContact O-N 3.13Å
108	S	33.8	Very low	37.1	Very low	121 Å²	121	133.3 Å²	133.3	85%	0.846	67%	0.669	S	S	*	*			trans	50.7	81.9	175.6	55.5	0	0	0	0	115.4
109	E	28.6	Very low	38.3	Very low	187 Å²	187	130.8 Å²	130.8	87%	0.874	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-72.7	136.3	159.7	-69.8	-166.5	155.9	0	0	109.5
110	P	38.4	Very low	39.5	Very low	83 Å²	83	122.3 Å²	122.3	54%	0.539	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-64.2	140.2	169.8	26.4	-30.8	0	0	0	109.4	Q112 N114 I115	P110-Q112 PolarHBondContact O-N 2.97Å; P110-N114 HydrophobicContact CB-CB 4.41Å; P110-I115 HydrophobicContact CG-CG1 4.4Å
111	L	49	Very low	41.2	Very low	70 Å²	70	112.4 Å²	112.4	37%	0.366	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-49.8	137.6	173.5	-65.2	171.3	0	0	0	109.7	V113 N114	L111-V113 PolarHBondContact O-N 3.35Å; L111-N114 PolarHBondContact O-N 3.49Å
112	Q	54.4	Low	43.3	Very low	163 Å²	163	105.5 Å²	105.5	76%	0.762	59%	0.594	S	S	*	*	H	α-helix	trans	-51.2	-26.9	-176.6	-160.9	167.8	30.9	0	0	112.9	P110 I115 L116	P110-Q112 PolarHBondContact O-N 2.97Å; Q112-I115 WeakPolarHBondContact O-CB 3.43Å; Q112-I115 PolarHBondContact O-N 3.47Å; Q112-L116 PolarHBondContact O-N 2.99Å
113	V	54.3	Low	46	Very low	16 Å²	16	94.9 Å²	94.9	10%	0.097	55%	0.554	C	S	.	*	H	α-helix	trans	-61.5	-42.4	173.8	-168.4	0	0	0	0	112.9	L111 I115 L116 I117 V123 A152 L176	L111-V113 PolarHBondContact O-N 3.35Å; V113-I115 PolarHBondContact O-N 3.11Å; V113-L116 WeakPolarHBondContact O-CB 2.9Å; V113-L116 PolarHBondContact O-N 3.27Å; V113-L116 VanDerWaalsContact O-N 3.16Å; V113-I117 HydrophobicContact CG1-CD1 3.94Å; V113-I117 HydrophobicContact CG1-CG1 4.45Å; V113-I117 WeakPolarHBondContact O-CG1 3.46Å; V113-I117 PolarHBondContact O-N 2.83Å; V113-V123 HydrophobicContact CG1-CG1 4.15Å; V113-A152 HydrophobicContact CB-CB 3.98Å; V113-A152 HydrophobicContact CG1-CB 3.66Å; V113-L176 HydrophobicContact CG1-CD1 4.43Å; V113-L176 HydrophobicContact CG1-CD2 4.19Å; V113-L176 HydrophobicContact CG2-CD1 3.45Å; V113-L176 VanDerWaalsContact CG2-CD1 3.45Å
114	N	52.6	Low	48.9	Very low	24 Å²	24	88 Å²	88	13%	0.128	52%	0.518	C	S	.	.	H	α-helix	trans	-68.9	-26.3	179.1	-71.2	-38.6	0	0	0	112.6	P110 L111 S118 A152 S153	P110-N114 HydrophobicContact CB-CB 4.41Å; L111-N114 PolarHBondContact O-N 3.49Å; N114-S118 VanDerWaalsContact O-CB 3.26Å; N114-S118 WeakPolarHBondContact O-CB 3.45Å; N114-S118 PolarHBondContact O-N 2.93Å; N114-S118 PolarHBondContact O-OG 2.75Å; N114-A152 VanDerWaalsContact ND2-C 3.29Å; N114-A152 PolarHBondContact ND2-O 3.42Å; N114-A152 WeakPolarHBondContact OD1-CA 3.48Å; N114-A152 PolarHBondContact OD1-N 3.27Å; N114-A152 PolarHBondContact OD1-O 2.98Å; N114-S153 VanDerWaalsContact ND2-CA 3.34Å; N114-S153 WeakPolarHBondContact ND2-CA 3.47Å; N114-S153 PolarHBondContact ND2-N 2.87Å; N114-S153 PolarHBondContact OD1-N 2.89Å
115	I	56.6	Low	51.9	Low	106 Å²	106	80.7 Å²	80.7	54%	0.544	48%	0.48	S	S	.	.	H	α-helix	trans	-70	-38	174.9	-57.9	175.2	0	0	0	109.7	P110 Q112 V113 G119	P110-I115 HydrophobicContact CG-CG1 4.4Å; Q112-I115 WeakPolarHBondContact O-CB 3.43Å; Q112-I115 PolarHBondContact O-N 3.47Å; V113-I115 PolarHBondContact O-N 3.11Å; I115-G119 PolarHBondContact O-N 3.01Å
116	L	56.9	Low	55	Low	71 Å²	71	71 Å²	71	37%	0.372	45%	0.445	S	S	.	.	H	α-helix	trans	-68.9	-46	174.6	-73.7	146.6	0	0	0	111.8	Q112 V113 S118 G119 S121 V123	Q112-L116 PolarHBondContact O-N 2.99Å; V113-L116 WeakPolarHBondContact O-CB 2.9Å; V113-L116 PolarHBondContact O-N 3.27Å; V113-L116 VanDerWaalsContact O-N 3.16Å; L116-S118 PolarHBondContact O-N 2.71Å; L116-G119 PolarHBondContact O-N 3.39Å; L116-S121 PolarHBondContact O-N 2.82Å; L116-V123 HydrophobicContact CB-CG2 4.03Å
117	I	59.1	Low	57.8	Low	39 Å²	39	64.4 Å²	64.4	20%	0.2	40%	0.403	C	S	.	.	H	α-helix	trans	-61.5	-44	177.8	-63.9	168.1	0	0	0	111.3	V113 G119 G120 V123 V149 L150 A152	V113-I117 HydrophobicContact CG1-CD1 3.94Å; V113-I117 HydrophobicContact CG1-CG1 4.45Å; V113-I117 WeakPolarHBondContact O-CG1 3.46Å; V113-I117 PolarHBondContact O-N 2.83Å; I117-G119 PolarHBondContact O-N 3Å; I117-G120 PolarHBondContact O-N 3.17Å; I117-V123 HydrophobicContact CD1-CG2 4.47Å; I117-V123 HydrophobicContact CG1-CB 4.27Å; I117-V123 HydrophobicContact CG1-CG2 3.53Å; I117-V149 HydrophobicContact CD1-CG1 4.14Å; I117-L150 WeakPolarHBondContact CG2-O 3.44Å; I117-A152 HydrophobicContact CD1-CB 4.06Å
118	S	53.2	Low	60.3	Low	108 Å²	108	62.5 Å²	62.5	76%	0.755	38%	0.379	S	S	*	.	H	α-helix	trans	-70.6	-15.5	179.9	-56	0	0	0	0	113.5	N114 L116 G120	N114-S118 VanDerWaalsContact O-CB 3.26Å; N114-S118 WeakPolarHBondContact O-CB 3.45Å; N114-S118 PolarHBondContact O-N 2.93Å; N114-S118 PolarHBondContact O-OG 2.75Å; L116-S118 PolarHBondContact O-N 2.71Å; S118-G120 VanDerWaalsContact C-N 3.35Å
119	G	48.8	Very low	61.5	Low	61 Å²	61	59.3 Å²	59.3	63%	0.629	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2	177.4	0	0	0	0	0	114.6	I115 L116 I117	I115-G119 PolarHBondContact O-N 3.01Å; L116-G119 PolarHBondContact O-N 3.39Å; I117-G119 PolarHBondContact O-N 3Å
120	G	51	Low	63.5	Low	68 Å²	68	53.6 Å²	53.6	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	4.3	-176.8	0	0	0	0	0	114.6	I117 S118	I117-G120 PolarHBondContact O-N 3.17Å; S118-G120 VanDerWaalsContact C-N 3.35Å
121	S	60.7	Low	65.2	Low	37 Å²	37	50.7 Å²	50.7	26%	0.259	30%	0.303	S	S	.	.			trans	-80.9	137.8	175.4	-60.4	0	0	0	0	110.9	L116 V123	L116-S121 PolarHBondContact O-N 2.82Å; S121-V123 PolarHBondContact O-N 3Å
122	V	70.3	Confident	66.4	Low	63 Å²	63	53.2 Å²	53.2	38%	0.382	32%	0.321	S	S	.	.			trans	-80.3	114.9	176.2	175.6	0	0	0	0	109.1	K148 Q180	V122-K148 HydrophobicContact CG1-CD 4.01Å; V122-K148 HydrophobicContact CG1-CG 3.93Å; V122-Q180 WeakPolarHBondContact O-CB 3.24Å; V122-Q180 WeakPolarHBondContact O-CG 3.37Å; V122-Q180 PolarHBondContact O-OE1 3.46Å
123	V	80.9	Confident	67	Low	2 Å²	2	46.8 Å²	46.8	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.3	176.3	-172.7	0	0	0	0	109.5	V113 L116 I117 S121 V149 L176	V113-V123 HydrophobicContact CG1-CG1 4.15Å; L116-V123 HydrophobicContact CB-CG2 4.03Å; I117-V123 HydrophobicContact CD1-CG2 4.47Å; I117-V123 HydrophobicContact CG1-CB 4.27Å; I117-V123 HydrophobicContact CG1-CG2 3.53Å; S121-V123 PolarHBondContact O-N 3Å; V123-V149 HydrophobicContact CB-CB 4.23Å; V123-V149 HydrophobicContact CG1-CB 4.24Å; V123-V149 HydrophobicContact CG1-CG2 4.33Å; V123-V149 PolarHBondContact O-N 2.97Å; V123-L176 HydrophobicContact CG1-CD2 3.36Å
124	N	85.9	Confident	66.9	Low	36 Å²	36	54.4 Å²	54.4	19%	0.193	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	142.1	172.6	-64.4	-35.7	0	0	0	110.5	V146 W177	N124-V146 HydrophobicContact CB-CG1 4.19Å; N124-W177 HydrophobicContact CB-CD2 3.97Å; N124-W177 HydrophobicContact CB-CE3 3.84Å; N124-W177 HydrophobicContact CB-CG 4.33Å; N124-W177 HydrophobicContact CB-CZ3 4.33Å; N124-W177 PolarHBondContact O-N 3.07Å
125	A	86.1	Confident	67.3	Low	0 Å²	0	55.3 Å²	55.3	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.4	171.6	0	0	0	0	0	109.6	V146 I147 V149 V174 R175 L176	A125-V146 CarbonylContact O-C 3.56Å; A125-I147 PolarHBondContact N-O 3.21Å; A125-I147 PolarHBondContact O-N 3.26Å; A125-V149 HydrophobicContact CB-CG2 3.69Å; A125-V174 HydrophobicContact CB-CB 4.01Å; A125-V174 HydrophobicContact CB-CG2 4Å; A125-R175 CarbonylContact C-O 3.59Å; A125-R175 WeakPolarHBondContact CA-O 3.43Å; A125-L176 HydrophobicContact CB-CD2 4.31Å
126	E	85.7	Confident	67.8	Low	37 Å²	37	58.3 Å²	58.3	17%	0.173	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.5	174.4	179.6	-179.7	178.6	0	0	109.6	V128 D145 V174 R175 L366	E126-V128 PolarHBondContact O-N 3.2Å; E126-D145 CarbonylContact C-O 3.52Å; E126-D145 WeakPolarHBondContact CA-O 3.32Å; E126-V174 CarbonylContact O-C 3.58Å; E126-V174 VanDerWaalsContact O-CA 3.29Å; E126-V174 WeakPolarHBondContact O-CA 3.45Å; E126-R175 PolarHBondContact N-O 3.48Å; E126-R175 PolarHBondContact O-N 3.39Å; E126-L366 VanDerWaalsContact CD-CD2 3.49Å; E126-L366 HydrophobicContact CG-CD2 4.4Å; E126-L366 VanDerWaalsContact OE1-CD2 3.27Å; E126-L366 WeakPolarHBondContact OE1-CD2 3.44Å
127	A	84	Confident	68.8	Low	1 Å²	1	64.3 Å²	64.3	1%	0.008	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	124.1	175.1	0	0	0	0	0	110.9	F141 K142 A143 G144 D145 I147	A127-F141 HydrophobicContact CB-CD2 3.32Å; A127-F141 HydrophobicContact CB-CE2 3.64Å; A127-F141 HydrophobicContact CB-CG 4.23Å; A127-K142 WeakPolarHBondContact CB-O 3.4Å; A127-A143 CarbonylContact O-C 3.54Å; A127-A143 WeakPolarHBondContact O-CA 3.13Å; A127-G144 PolarHBondContact O-N 3.32Å; A127-D145 HydrophobicContact CB-CB 4.32Å; A127-D145 PolarHBondContact N-O 3.34Å; A127-I147 HydrophobicContact CB-CD1 4.46Å
128	V	77	Confident	70	Confident	19 Å²	19	65.6 Å²	65.6	12%	0.115	38%	0.38	C	S	.	.	S	Bend	trans	-89.4	-28.7	175.7	-170.7	0	0	0	0	110.8	E126 F173 R175 C362 L366	E126-V128 PolarHBondContact O-N 3.2Å; V128-F173 PolarHBondContact N-O 3.3Å; V128-R175 HydrophobicContact CG2-CB 3.85Å; V128-C362 HydrophobicContact CG1-CB 3.33Å; V128-L366 HydrophobicContact CB-CD1 4.5Å; V128-L366 HydrophobicContact CG1-CD1 4.4Å; V128-L366 HydrophobicContact CG2-CD1 3.76Å
129	W	58.6	Low	71.7	Confident	55 Å²	55	60.6 Å²	60.6	21%	0.208	35%	0.345	C	S	.	.	S	Bend	trans	-131.5	154.4	-178.6	-65.7	106	0	0	0	110.5	H131 F141 F173 V358 C362	W129-H131 PolarHBondContact O-N 3.19Å; W129-F141 WeakPolarHBondContact O-CD2 3.33Å; W129-F141 VanDerWaalsContact O-CE2 3.29Å; W129-F141 WeakPolarHBondContact O-CE2 3.36Å; W129-F173 HydrophobicContact CB-CB 4.41Å; W129-F173 HydrophobicContact CB-CD2 3.57Å; W129-F173 HydrophobicContact CB-CE2 4.03Å; W129-F173 HydrophobicContact CB-CG 4.1Å; W129-F173 HydrophobicContact CG-CD2 4.46Å; W129-F173 PolarHBondContact N-O 3.35Å; W129-V358 HydrophobicContact CH2-CG1 4.13Å; W129-V358 HydrophobicContact CZ2-CG1 3.66Å; W129-C362 WeakPolarHBondContact CH2-SG 3.24Å; W129-C362 HydrophobicContact CZ2-CB 4.14Å; W129-C362 WeakPolarHBondContact CZ2-SG 3.23Å
130	D	70.3	Confident	73.3	Confident	67 Å²	67	60.1 Å²	60.1	36%	0.358	34%	0.336	S	S	.	.			trans	-65.8	125.7	166	-70.8	17.6	0	0	0	108.7	V132 F141 K142 A143	D130-V132 HydrophobicContact CB-CG2 4.33Å; D130-F141 CarbonylContact C-O 3.56Å; D130-F141 WeakPolarHBondContact CA-O 3.3Å; D130-K142 WeakPolarHBondContact OD1-CA 3.43Å; D130-K142 IonicContact OD2-NZ 3.77Å; D130-A143 PolarHBondContact OD1-N 2.82Å
131	H	74.2	Confident	75	Confident	21 Å²	21	57.3 Å²	57.3	10%	0.097	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-103.5	97.6	165.5	-171.8	43.2	0	0	0	108.4	W129 E138 L139 A140 F141 F173	W129-H131 PolarHBondContact O-N 3.19Å; H131-E138 IonicContact CE1-OE2 3.7Å; H131-E138 IonicContact NE2-OE2 2.74Å; H131-E138 PolarHBondContact NE2-OE2 2.88Å; H131-E138 VanDerWaalsContact NE2-OE2 3.17Å; H131-L139 PolarHBondContact CD2-O 3.28Å; H131-L139 VanDerWaalsContact CD2-O 3.25Å; H131-A140 VanDerWaalsContact O-CA 3.29Å; H131-A140 WeakPolarHBondContact O-CA 3.43Å; H131-F141 HydrophobicContact CB-CD1 4.07Å; H131-F141 HydrophobicContact CB-CD2 3.99Å; H131-F141 HydrophobicContact CB-CE1 3.6Å; H131-F141 HydrophobicContact CB-CE2 3.56Å; H131-F141 HydrophobicContact CB-CG 4.25Å; H131-F141 HydrophobicContact CB-CZ 3.35Å; H131-F141 PolarHBondContact N-O 3.04Å; H131-F141 PolarHBondContact O-N 2.94Å; H131-F141 VanDerWaalsContact O-N 3.1Å; H131-F173 HydrophobicContact CB-CD2 4.07Å
132	V	74.1	Confident	75.7	Confident	123 Å²	123	61.8 Å²	61.8	75%	0.745	32%	0.319	S	S	*	.			trans	-94.9	111.5	177.4	-176.6	0	0	0	0	108.5	D130	D130-V132 HydrophobicContact CB-CG2 4.33Å
133	T	67.2	Low	75.9	Confident	29 Å²	29	61.3 Å²	61.3	18%	0.178	32%	0.322	C	S	.	.			trans	-130.6	150.4	-179.5	-174.5	0	0	0	0	111.1	A135 E138 A140	T133-A135 PolarHBondContact OG1-N 3.3Å; T133-E138 VanDerWaalsContact CB-OE2 3.26Å; T133-E138 WeakPolarHBondContact CB-OE2 3.4Å; T133-E138 HydrophobicContact CG2-CB 3.52Å; T133-E138 PolarHBondContact OG1-OE2 2.82Å; T133-A140 HydrophobicContact CG2-CB 3.95Å
134	M	52.5	Low	75.6	Confident	176 Å²	176	63 Å²	63	87%	0.867	34%	0.34	S	S	*	.			trans	-111.9	4.7	176.6	-62.2	-66.3	-62.9	0	0	111.3
135	A	59.7	Low	75.4	Confident	43 Å²	43	64.2 Å²	64.2	36%	0.355	35%	0.346	S	S	.	.			trans	-91.7	127	-177.8	0	0	0	0	0	110.4	T133 R137 E138	T133-A135 PolarHBondContact OG1-N 3.3Å; A135-R137 PolarHBondContact O-N 3Å; A135-E138 HydrophobicContact CB-CB 4.4Å; A135-E138 HydrophobicContact CB-CG 4.15Å; A135-E138 PolarHBondContact O-N 3.09Å
136	D	68.3	Low	75.5	Confident	169 Å²	169	67.3 Å²	67.3	90%	0.904	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-5.9	-175.9	-54.9	-23.6	0	0	0	115.2
137	R	77.1	Confident	75.9	Confident	196 Å²	196	65.6 Å²	65.6	74%	0.74	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-2.9	-179.2	-63	-171.4	178.1	-147.6	-1.4	113.5	A135 W168	A135-R137 PolarHBondContact O-N 3Å; R137-W168 PolarHBondContact O-N 3.14Å
138	E	85	Confident	76.2	Confident	66 Å²	66	69.5 Å²	69.5	31%	0.308	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-106.9	144.3	179	-66.8	-179.8	-158.5	0	0	110.1	H131 T133 A135 W157 W168	H131-E138 IonicContact CE1-OE2 3.7Å; H131-E138 IonicContact NE2-OE2 2.74Å; H131-E138 PolarHBondContact NE2-OE2 2.88Å; H131-E138 VanDerWaalsContact NE2-OE2 3.17Å; T133-E138 VanDerWaalsContact CB-OE2 3.26Å; T133-E138 WeakPolarHBondContact CB-OE2 3.4Å; T133-E138 HydrophobicContact CG2-CB 3.52Å; T133-E138 PolarHBondContact OG1-OE2 2.82Å; A135-E138 HydrophobicContact CB-CB 4.4Å; A135-E138 HydrophobicContact CB-CG 4.15Å; A135-E138 PolarHBondContact O-N 3.09Å; E138-W157 HydrophobicContact CG-CZ3 4.14Å; E138-W168 CarbonylContact C-O 3.46Å; E138-W168 WeakPolarHBondContact CA-O 3.3Å; E138-W168 WeakPolarHBondContact CB-O 3.37Å
139	L	88.8	Confident	76.9	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.021	37%	0.37	C	S	.	.			trans	-89.3	111.8	-176.7	-171.4	65.5	0	0	0	109.9	H131 F141 I147 I162 E165 W168 F169	H131-L139 PolarHBondContact CD2-O 3.28Å; H131-L139 VanDerWaalsContact CD2-O 3.25Å; L139-F141 HydrophobicContact CG-CD1 4.35Å; L139-F141 WeakPolarHBondContact O-CD1 3.32Å; L139-F141 WeakPolarHBondContact O-CE1 3.46Å; L139-I147 HydrophobicContact CD2-CG2 3.84Å; L139-I162 HydrophobicContact CD1-CD1 4.43Å; L139-I162 HydrophobicContact CD2-CD1 3.81Å; L139-I162 HydrophobicContact CD2-CG1 3.91Å; L139-I162 HydrophobicContact CG-CD1 3.97Å; L139-I162 HydrophobicContact CG-CG1 4.44Å; L139-E165 HydrophobicContact CD1-CB 4.1Å; L139-E165 WeakPolarHBondContact CD1-O 3.39Å; L139-W168 PolarHBondContact N-O 3.1Å; L139-F169 HydrophobicContact CB-CB 4.41Å; L139-F169 HydrophobicContact CB-CD1 4.47Å; L139-F169 HydrophobicContact CD2-CD1 3.97Å; L139-F169 HydrophobicContact CD2-CE1 4.49Å
140	A	83	Confident	78.2	Confident	51 Å²	51	69 Å²	69	42%	0.421	37%	0.374	S	S	.	.			trans	-80.4	137.5	175.9	0	0	0	0	0	111.1	H131 T133	H131-A140 VanDerWaalsContact O-CA 3.29Å; H131-A140 WeakPolarHBondContact O-CA 3.43Å; T133-A140 HydrophobicContact CG2-CB 3.95Å
141	F	85.6	Confident	78.9	Confident	9 Å²	9	68.4 Å²	68.4	4%	0.039	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-155.9	165.9	177.6	51.4	-97.3	0	0	0	112.7	A127 W129 D130 H131 L139 D145 I147 I162 F169 F173 V174	A127-F141 HydrophobicContact CB-CD2 3.32Å; A127-F141 HydrophobicContact CB-CE2 3.64Å; A127-F141 HydrophobicContact CB-CG 4.23Å; W129-F141 WeakPolarHBondContact O-CD2 3.33Å; W129-F141 VanDerWaalsContact O-CE2 3.29Å; W129-F141 WeakPolarHBondContact O-CE2 3.36Å; D130-F141 CarbonylContact C-O 3.56Å; D130-F141 WeakPolarHBondContact CA-O 3.3Å; H131-F141 HydrophobicContact CB-CD1 4.07Å; H131-F141 HydrophobicContact CB-CD2 3.99Å; H131-F141 HydrophobicContact CB-CE1 3.6Å; H131-F141 HydrophobicContact CB-CE2 3.56Å; H131-F141 HydrophobicContact CB-CG 4.25Å; H131-F141 HydrophobicContact CB-CZ 3.35Å; H131-F141 PolarHBondContact N-O 3.04Å; H131-F141 PolarHBondContact O-N 2.94Å; H131-F141 VanDerWaalsContact O-N 3.1Å; L139-F141 HydrophobicContact CG-CD1 4.35Å; L139-F141 WeakPolarHBondContact O-CD1 3.32Å; L139-F141 WeakPolarHBondContact O-CE1 3.46Å; F141-D145 HydrophobicContact CB-CB 4.14Å; F141-I147 HydrophobicContact CB-CD1 4.44Å; F141-I147 HydrophobicContact CD1-CD1 3.5Å; F141-I147 VanDerWaalsContact CD1-CD1 3.5Å; F141-I147 HydrophobicContact CD2-CD1 4.12Å; F141-I147 HydrophobicContact CE1-CD1 3.61Å; F141-I147 HydrophobicContact CE2-CD1 4.18Å; F141-I147 HydrophobicContact CG-CD1 3.76Å; F141-I147 HydrophobicContact CZ-CD1 3.94Å; F141-I162 HydrophobicContact CB-CD1 3.52Å; F141-I162 HydrophobicContact CD1-CD1 4.13Å; F141-I162 HydrophobicContact CG-CD1 4.19Å; F141-F169 HydrophobicContact CE1-CB 3.44Å; F141-F169 VanDerWaalsContact CE1-CB 3.44Å; F141-F169 HydrophobicContact CE1-CD2 4.37Å; F141-F169 AromaticContact CE1-CG 3.96Å; F141-F169 HydrophobicContact CE1-CG 3.96Å; F141-F169 HydrophobicContact CZ-CB 3.99Å; F141-F169 HydrophobicContact CZ-CD2 4.4Å; F141-F169 HydrophobicContact CZ-CG 4.42Å; F141-F173 HydrophobicContact CE2-CB 4.16Å; F141-F173 HydrophobicContact CZ-CB 4.1Å; F141-V174 HydrophobicContact CE2-CG1 4.29Å; F141-V174 HydrophobicContact CZ-CG1 4.02Å
142	K	75.9	Confident	79.4	Confident	130 Å²	130	67.4 Å²	67.4	57%	0.565	37%	0.366	S	S	*	.			trans	-105.8	153.4	174.5	-69.8	179.3	167.4	-70	0	110.8	A127 D130 G144 D145	A127-K142 WeakPolarHBondContact CB-O 3.4Å; D130-K142 WeakPolarHBondContact OD1-CA 3.43Å; D130-K142 IonicContact OD2-NZ 3.77Å; K142-G144 PolarHBondContact O-N 2.85Å; K142-D145 PolarHBondContact N-OD2 3.19Å; K142-D145 WeakPolarHBondContact O-CB 3.45Å; K142-D145 VanDerWaalsContact O-CG 3.27Å; K142-D145 PolarHBondContact O-N 3.3Å
143	A	74.5	Confident	79.5	Confident	54 Å²	54	65.3 Å²	65.3	45%	0.446	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	127	171	0	0	0	0	0	110.3	A127 D130	A127-A143 CarbonylContact O-C 3.54Å; A127-A143 WeakPolarHBondContact O-CA 3.13Å; D130-A143 PolarHBondContact OD1-N 2.82Å
144	G	73.8	Confident	80	Confident	38 Å²	38	67.4 Å²	67.4	39%	0.392	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.3	-11.6	-174.1	0	0	0	0	0	114.9	A127 K142	A127-G144 PolarHBondContact O-N 3.32Å; K142-G144 PolarHBondContact O-N 2.85Å
145	D	82.9	Confident	80.7	Confident	61 Å²	61	65.2 Å²	65.2	33%	0.326	35%	0.353	S	S	.	.			trans	-69.4	140.5	177.4	-68.5	-13.7	0	0	0	111	E126 A127 F141 K142 I162	E126-D145 CarbonylContact C-O 3.52Å; E126-D145 WeakPolarHBondContact CA-O 3.32Å; A127-D145 HydrophobicContact CB-CB 4.32Å; A127-D145 PolarHBondContact N-O 3.34Å; F141-D145 HydrophobicContact CB-CB 4.14Å; K142-D145 PolarHBondContact N-OD2 3.19Å; K142-D145 WeakPolarHBondContact O-CB 3.45Å; K142-D145 VanDerWaalsContact O-CG 3.27Å; K142-D145 PolarHBondContact O-N 3.3Å; D145-I162 HydrophobicContact CB-CD1 4.49Å
146	V	88.5	Confident	81.1	Confident	65 Å²	65	67.8 Å²	67.8	39%	0.394	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.6	178.3	-174.5	0	0	0	0	109.6	N124 A125 W177	N124-V146 HydrophobicContact CB-CG1 4.19Å; A125-V146 CarbonylContact O-C 3.56Å; V146-W177 HydrophobicContact CB-CZ2 4.34Å; V146-W177 HydrophobicContact CG1-CH2 3.92Å; V146-W177 HydrophobicContact CG1-CZ2 3.75Å; V146-W177 HydrophobicContact CG2-CH2 4.07Å; V146-W177 HydrophobicContact CG2-CZ2 3.57Å
147	I	92.1	Very high	81.9	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.2	-174.8	-44.4	-170.1	0	0	0	108.9	A125 A127 L139 F141 V149 I162 F169 V174	A125-I147 PolarHBondContact N-O 3.21Å; A125-I147 PolarHBondContact O-N 3.26Å; A127-I147 HydrophobicContact CB-CD1 4.46Å; L139-I147 HydrophobicContact CD2-CG2 3.84Å; F141-I147 HydrophobicContact CB-CD1 4.44Å; F141-I147 HydrophobicContact CD1-CD1 3.5Å; F141-I147 VanDerWaalsContact CD1-CD1 3.5Å; F141-I147 HydrophobicContact CD2-CD1 4.12Å; F141-I147 HydrophobicContact CE1-CD1 3.61Å; F141-I147 HydrophobicContact CE2-CD1 4.18Å; F141-I147 HydrophobicContact CG-CD1 3.76Å; F141-I147 HydrophobicContact CZ-CD1 3.94Å; I147-V149 PolarHBondContact O-N 3.49Å; I147-I162 HydrophobicContact CB-CG1 4.18Å; I147-I162 HydrophobicContact CD1-CD1 3.94Å; I147-I162 HydrophobicContact CD1-CG1 4.43Å; I147-I162 HydrophobicContact CG1-CD1 3.76Å; I147-I162 HydrophobicContact CG1-CG1 3.79Å; I147-I162 HydrophobicContact CG2-CG1 4.11Å; I147-F169 HydrophobicContact CG2-CD1 4.19Å; I147-F169 HydrophobicContact CG2-CE1 3.58Å; I147-F169 HydrophobicContact CG2-CZ 3.91Å; I147-V174 HydrophobicContact CD1-CG1 3.78Å
148	K	90.9	Very high	82.6	Confident	84 Å²	84	55.9 Å²	55.9	37%	0.365	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	115	170.9	-174.1	175.9	177.5	-177	0	109	V122 L150 G160 Q161	V122-K148 HydrophobicContact CG1-CD 4.01Å; V122-K148 HydrophobicContact CG1-CG 3.93Å; K148-L150 HydrophobicContact CD-CD2 4.46Å; K148-L150 HydrophobicContact CG-CD2 4.34Å; K148-L150 PolarHBondContact O-N 3.5Å; K148-G160 CarbonylContact O-C 3.56Å; K148-G160 WeakPolarHBondContact O-CA 3.43Å; K148-Q161 HydrophobicContact CB-CB 4.42Å; K148-Q161 PolarHBondContact N-O 2.89Å; K148-Q161 PolarHBondContact O-N 3.18Å
149	V	91.2	Very high	82.8	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.03	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.1	-178.4	-170.1	0	0	0	0	109.3	I117 V123 A125 I147 A152 W158 F169 L176	I117-V149 HydrophobicContact CD1-CG1 4.14Å; V123-V149 HydrophobicContact CB-CB 4.23Å; V123-V149 HydrophobicContact CG1-CB 4.24Å; V123-V149 HydrophobicContact CG1-CG2 4.33Å; V123-V149 PolarHBondContact O-N 2.97Å; A125-V149 HydrophobicContact CB-CG2 3.69Å; I147-V149 PolarHBondContact O-N 3.49Å; V149-A152 HydrophobicContact CG1-CB 4.23Å; V149-W158 HydrophobicContact CG1-CB 4.36Å; V149-W158 HydrophobicContact CG1-CD2 4.36Å; V149-W158 HydrophobicContact CG1-CE3 3.95Å; V149-W158 HydrophobicContact CG2-CE3 4.27Å; V149-F169 HydrophobicContact CG2-CZ 4.26Å; V149-L176 HydrophobicContact CG2-CD2 4.27Å
150	L	87.4	Confident	83	Confident	58 Å²	58	55.7 Å²	55.7	30%	0.304	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-34.5	-177.3	-62.5	178.5	0	0	0	112.3	I117 K148 W159 Q161 E166	I117-L150 WeakPolarHBondContact CG2-O 3.44Å; K148-L150 HydrophobicContact CD-CD2 4.46Å; K148-L150 HydrophobicContact CG-CD2 4.34Å; K148-L150 PolarHBondContact O-N 3.5Å; L150-W159 PolarHBondContact N-O 3.48Å; L150-Q161 HydrophobicContact CD1-CB 4.06Å; L150-Q161 HydrophobicContact CG-CB 4.48Å; L150-E166 HydrophobicContact CD1-CG 4.39Å
151	D	83.8	Confident	83.4	Confident	55 Å²	55	55.6 Å²	55.6	29%	0.294	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	125.8	176	-174.6	2	0	0	0	110.5	S153 W158 W159	D151-S153 WeakPolarHBondContact OD1-CB 3.16Å; D151-S153 PolarHBondContact OD1-N 2.98Å; D151-S153 PolarHBondContact OD1-OG 3.32Å; D151-S153 PolarHBondContact OD2-OG 3.43Å; D151-S153 VanDerWaalsContact OD2-OG 3.09Å; D151-W158 CarbonylContact O-C 3.55Å; D151-W158 VanDerWaalsContact O-CA 3.29Å; D151-W158 WeakPolarHBondContact O-CA 3.38Å; D151-W158 WeakPolarHBondContact O-CB 3.25Å; D151-W159 HydrophobicContact CB-CB 3.91Å; D151-W159 PolarHBondContact N-O 3.44Å; D151-W159 PolarHBondContact O-N 3.09Å
152	A	84.6	Confident	83.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.295	C	S	.	.			trans	-121.9	29.4	175	0	0	0	0	0	111.7	V113 N114 I117 V149 N154 W158	V113-A152 HydrophobicContact CB-CB 3.98Å; V113-A152 HydrophobicContact CG1-CB 3.66Å; N114-A152 VanDerWaalsContact ND2-C 3.29Å; N114-A152 PolarHBondContact ND2-O 3.42Å; N114-A152 WeakPolarHBondContact OD1-CA 3.48Å; N114-A152 PolarHBondContact OD1-N 3.27Å; N114-A152 PolarHBondContact OD1-O 2.98Å; I117-A152 HydrophobicContact CD1-CB 4.06Å; V149-A152 HydrophobicContact CG1-CB 4.23Å; A152-N154 PolarHBondContact O-N 3.5Å; A152-W158 HydrophobicContact CB-CD2 3.96Å; A152-W158 HydrophobicContact CB-CG 4.01Å; A152-W158 HydrophobicContact CB-CZ2 4.4Å
153	S	76.3	Confident	84	Confident	79 Å²	79	57.5 Å²	57.5	55%	0.552	31%	0.307	S	S	*	.			trans	-62.5	-28.4	-179.8	58.6	0	0	0	0	113.4	N114 D151	N114-S153 VanDerWaalsContact ND2-CA 3.34Å; N114-S153 WeakPolarHBondContact ND2-CA 3.47Å; N114-S153 PolarHBondContact ND2-N 2.87Å; N114-S153 PolarHBondContact OD1-N 2.89Å; D151-S153 WeakPolarHBondContact OD1-CB 3.16Å; D151-S153 PolarHBondContact OD1-N 2.98Å; D151-S153 PolarHBondContact OD1-OG 3.32Å; D151-S153 PolarHBondContact OD2-OG 3.43Å; D151-S153 VanDerWaalsContact OD2-OG 3.09Å
154	N	77.3	Confident	84.3	Confident	73 Å²	73	64 Å²	64	39%	0.39	33%	0.328	S	S	.	.	S	Bend	trans	-99.7	144.6	176.4	-178.8	-34.5	0	0	0	110.9	A152 D156 W157 W158	A152-N154 PolarHBondContact O-N 3.5Å; N154-D156 PolarHBondContact OD1-N 3.31Å; N154-W157 WeakPolarHBondContact CB-O 3.48Å; N154-W157 PolarHBondContact OD1-N 3.02Å; N154-W158 PolarHBondContact O-NE1 2.9Å
155	K	68.8	Low	84.8	Confident	130 Å²	130	68.6 Å²	68.6	57%	0.565	34%	0.339	S	S	*	.	S	Bend	trans	-68.5	-33.4	-177.8	-173.4	-176.3	175.8	-170.1	0	112.9
156	D	68.1	Low	85.2	Confident	97 Å²	97	70.5 Å²	70.5	52%	0.519	35%	0.346	S	S	.	.	S	Bend	trans	-111	-24.3	-168.5	-58	-43.6	0	0	0	112.7	N154 P170 A171	N154-D156 PolarHBondContact OD1-N 3.31Å; D156-P170 CarbonylContact O-C 3.58Å; D156-P170 VanDerWaalsContact O-CA 3.26Å; D156-P170 WeakPolarHBondContact O-CA 3.42Å; D156-A171 PolarHBondContact O-N 3.49Å
157	W	84.8	Confident	85.3	Confident	93 Å²	93	67.4 Å²	67.4	35%	0.352	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.7	-177.1	-73.6	86.3	0	0	0	111.8	E138 N154 W168 F169	E138-W157 HydrophobicContact CG-CZ3 4.14Å; N154-W157 WeakPolarHBondContact CB-O 3.48Å; N154-W157 PolarHBondContact OD1-N 3.02Å; W157-W168 HydrophobicContact CB-CE3 4.23Å; W157-W168 HydrophobicContact CE3-CB 3.96Å; W157-W168 HydrophobicContact CZ3-CB 4.34Å; W157-F169 CarbonylContact C-O 3.48Å; W157-F169 WeakPolarHBondContact CA-O 3.48Å
158	W	91.8	Very high	85.2	Confident	22 Å²	22	71.8 Å²	71.8	8%	0.083	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	152.1	179	-64.3	-9.1	0	0	0	110.5	V149 D151 A152 N154 W168 F169 A171 V174 L176	V149-W158 HydrophobicContact CG1-CB 4.36Å; V149-W158 HydrophobicContact CG1-CD2 4.36Å; V149-W158 HydrophobicContact CG1-CE3 3.95Å; V149-W158 HydrophobicContact CG2-CE3 4.27Å; D151-W158 CarbonylContact O-C 3.55Å; D151-W158 VanDerWaalsContact O-CA 3.29Å; D151-W158 WeakPolarHBondContact O-CA 3.38Å; D151-W158 WeakPolarHBondContact O-CB 3.25Å; A152-W158 HydrophobicContact CB-CD2 3.96Å; A152-W158 HydrophobicContact CB-CG 4.01Å; A152-W158 HydrophobicContact CB-CZ2 4.4Å; N154-W158 PolarHBondContact O-NE1 2.9Å; W158-W168 VanDerWaalsContact C-CE3 3.43Å; W158-W168 CarbonylContact O-C 3.53Å; W158-W168 WeakPolarHBondContact O-CA 3.25Å; W158-F169 HydrophobicContact CB-CD2 4.48Å; W158-F169 HydrophobicContact CB-CE1 4.19Å; W158-F169 HydrophobicContact CB-CE2 3.84Å; W158-F169 HydrophobicContact CB-CZ 3.7Å; W158-F169 HydrophobicContact CE3-CE2 4.01Å; W158-F169 HydrophobicContact CE3-CZ 4.22Å; W158-F169 PolarHBondContact N-O 3.04Å; W158-F169 PolarHBondContact O-N 2.92Å; W158-A171 HydrophobicContact CD2-CB 3.62Å; W158-A171 HydrophobicContact CE3-CB 4.18Å; W158-A171 HydrophobicContact CG-CB 3.98Å; W158-A171 HydrophobicContact CH2-CB 4.22Å; W158-A171 HydrophobicContact CZ2-CB 3.69Å; W158-A171 HydrophobicContact CZ3-CB 4.45Å; W158-V174 HydrophobicContact CE3-CG2 4.01Å; W158-V174 HydrophobicContact CZ3-CG2 3.86Å; W158-L176 HydrophobicContact CH2-CD1 3.78Å; W158-L176 HydrophobicContact CH2-CD2 4.24Å; W158-L176 HydrophobicContact CH2-CG 3.97Å; W158-L176 HydrophobicContact CZ3-CD1 4.23Å; W158-L176 HydrophobicContact CZ3-CD2 3.85Å; W158-L176 HydrophobicContact CZ3-CG 3.92Å
159	W	89.3	Confident	85	Confident	66 Å²	66	67.8 Å²	67.8	25%	0.25	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.7	169.2	-169.4	-102.2	0	0	0	108.4	L150 D151 E166 G167 W168	L150-W159 PolarHBondContact N-O 3.48Å; D151-W159 HydrophobicContact CB-CB 3.91Å; D151-W159 PolarHBondContact N-O 3.44Å; D151-W159 PolarHBondContact O-N 3.09Å; W159-E166 HydrophobicContact CZ2-CB 3.8Å; W159-E166 PolarHBondContact NE1-OE2 3.02Å; W159-E166 VanDerWaalsContact NE1-OE2 3.15Å; W159-G167 VanDerWaalsContact CZ3-CA 3.4Å; W159-W168 HydrophobicContact CB-CE3 4.15Å; W159-W168 HydrophobicContact CB-CH2 4.08Å; W159-W168 HydrophobicContact CB-CZ2 4.45Å; W159-W168 HydrophobicContact CB-CZ3 3.93Å; W159-W168 HydrophobicContact CE3-CB 4.17Å; W159-W168 AromaticContact CE3-CD1 3.4Å; W159-W168 VanDerWaalsContact CE3-CD1 3.4Å; W159-W168 AromaticContact CE3-CD2 3.5Å; W159-W168 HydrophobicContact CE3-CD2 3.5Å; W159-W168 VanDerWaalsContact CE3-CD2 3.5Å; W159-W168 AromaticContact CE3-CE2 3.39Å; W159-W168 HydrophobicContact CE3-CE3 4.25Å; W159-W168 AromaticContact CE3-CG 3.46Å; W159-W168 HydrophobicContact CE3-CG 3.46Å; W159-W168 VanDerWaalsContact CE3-CG 3.46Å; W159-W168 HydrophobicContact CE3-CZ2 4.04Å; W159-W168 AromaticContact CE3-NE1 3.31Å; W159-W168 VanDerWaalsContact CE3-NE1 3.31Å; W159-W168 HydrophobicContact CZ3-CB 4.34Å; W159-W168 AromaticContact CZ3-CD1 3.2Å; W159-W168 HydrophobicContact CZ3-CD2 4.15Å; W159-W168 AromaticContact CZ3-CE2 3.91Å; W159-W168 AromaticContact CZ3-CG 3.69Å; W159-W168 HydrophobicContact CZ3-CG 3.69Å; W159-W168 VanDerWaalsContact CZ3-N 3.25Å; W159-W168 AromaticContact CZ3-NE1 3.3Å; W159-W168 VanDerWaalsContact CZ3-NE1 3.3Å
160	G	91.9	Very high	84.6	Confident	0 Å²	0	68 Å²	68	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	-173.5	172.9	0	0	0	0	0	113.1	K148 E166 G167	K148-G160 CarbonylContact O-C 3.56Å; K148-G160 WeakPolarHBondContact O-CA 3.43Å; G160-E166 WeakPolarHBondContact O-CA 3.37Å; G160-G167 PolarHBondContact N-O 3.42Å; G160-G167 VanDerWaalsContact N-O 3.14Å; G160-G167 PolarHBondContact O-N 2.98Å
161	Q	92.2	Very high	84.4	Confident	49 Å²	49	66 Å²	66	23%	0.229	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.2	-163.4	-174.8	178.1	21	0	0	110.6	K148 L150 D163 E165 E166	K148-Q161 HydrophobicContact CB-CB 4.42Å; K148-Q161 PolarHBondContact N-O 2.89Å; K148-Q161 PolarHBondContact O-N 3.18Å; L150-Q161 HydrophobicContact CD1-CB 4.06Å; L150-Q161 HydrophobicContact CG-CB 4.48Å; Q161-D163 PolarHBondContact NE2-O 3.48Å; Q161-E165 WeakPolarHBondContact CA-O 3.47Å; Q161-E166 HydrophobicContact CB-CG 3.99Å; Q161-E166 HydrophobicContact CG-CG 3.86Å
162	I	89.9	Confident	84	Confident	28 Å²	28	66 Å²	66	14%	0.144	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.9	166.9	-63.1	164.4	0	0	0	106.2	L139 F141 D145 I147 E164 E165	L139-I162 HydrophobicContact CD1-CD1 4.43Å; L139-I162 HydrophobicContact CD2-CD1 3.81Å; L139-I162 HydrophobicContact CD2-CG1 3.91Å; L139-I162 HydrophobicContact CG-CD1 3.97Å; L139-I162 HydrophobicContact CG-CG1 4.44Å; F141-I162 HydrophobicContact CB-CD1 3.52Å; F141-I162 HydrophobicContact CD1-CD1 4.13Å; F141-I162 HydrophobicContact CG-CD1 4.19Å; D145-I162 HydrophobicContact CB-CD1 4.49Å; I147-I162 HydrophobicContact CB-CG1 4.18Å; I147-I162 HydrophobicContact CD1-CD1 3.94Å; I147-I162 HydrophobicContact CD1-CG1 4.43Å; I147-I162 HydrophobicContact CG1-CD1 3.76Å; I147-I162 HydrophobicContact CG1-CG1 3.79Å; I147-I162 HydrophobicContact CG2-CG1 4.11Å; I162-E164 PolarHBondContact O-N 3.48Å; I162-E165 PolarHBondContact N-O 2.75Å; I162-E165 PolarHBondContact O-N 3.25Å
163	D	83.6	Confident	83.5	Confident	150 Å²	150	69.2 Å²	69.2	80%	0.802	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	-111.9	-174.3	-59.6	-34.3	0	0	0	112.4	Q161	Q161-D163 PolarHBondContact NE2-O 3.48Å
164	E	81.1	Confident	83.8	Confident	190 Å²	190	66.1 Å²	66.1	89%	0.888	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-0.8	176.8	-63.4	-165.5	163.3	0	0	114	I162	I162-E164 PolarHBondContact O-N 3.48Å
165	E	83.7	Confident	83.9	Confident	136 Å²	136	63.9 Å²	63.9	64%	0.636	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.9	-179	-63.9	-169.2	176.7	0	0	111.2	L139 Q161 I162	L139-E165 HydrophobicContact CD1-CB 4.1Å; L139-E165 WeakPolarHBondContact CD1-O 3.39Å; Q161-E165 WeakPolarHBondContact CA-O 3.47Å; I162-E165 PolarHBondContact N-O 2.75Å; I162-E165 PolarHBondContact O-N 3.25Å
166	E	92.6	Very high	84.4	Confident	101 Å²	101	60.3 Å²	60.3	47%	0.472	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.9	176.9	-67.3	-173.8	-171.9	0	0	110.9	L150 W159 G160 Q161	L150-E166 HydrophobicContact CD1-CG 4.39Å; W159-E166 HydrophobicContact CZ2-CB 3.8Å; W159-E166 PolarHBondContact NE1-OE2 3.02Å; W159-E166 VanDerWaalsContact NE1-OE2 3.15Å; G160-E166 WeakPolarHBondContact O-CA 3.37Å; Q161-E166 HydrophobicContact CB-CG 3.99Å; Q161-E166 HydrophobicContact CG-CG 3.86Å
167	G	90.6	Very high	84.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	170.2	179.6	0	0	0	0	0	113.9	W159 G160	W159-G167 VanDerWaalsContact CZ3-CA 3.4Å; G160-G167 PolarHBondContact N-O 3.42Å; G160-G167 VanDerWaalsContact N-O 3.14Å; G160-G167 PolarHBondContact O-N 2.98Å
168	W	89	Confident	83.4	Confident	92 Å²	92	57.5 Å²	57.5	35%	0.348	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.9	171.3	-71.8	105.3	0	0	0	110.2	R137 E138 L139 W157 W158 W159	R137-W168 PolarHBondContact O-N 3.14Å; E138-W168 CarbonylContact C-O 3.46Å; E138-W168 WeakPolarHBondContact CA-O 3.3Å; E138-W168 WeakPolarHBondContact CB-O 3.37Å; L139-W168 PolarHBondContact N-O 3.1Å; W157-W168 HydrophobicContact CB-CE3 4.23Å; W157-W168 HydrophobicContact CE3-CB 3.96Å; W157-W168 HydrophobicContact CZ3-CB 4.34Å; W158-W168 VanDerWaalsContact C-CE3 3.43Å; W158-W168 CarbonylContact O-C 3.53Å; W158-W168 WeakPolarHBondContact O-CA 3.25Å; W159-W168 HydrophobicContact CB-CE3 4.15Å; W159-W168 HydrophobicContact CB-CH2 4.08Å; W159-W168 HydrophobicContact CB-CZ2 4.45Å; W159-W168 HydrophobicContact CB-CZ3 3.93Å; W159-W168 HydrophobicContact CE3-CB 4.17Å; W159-W168 AromaticContact CE3-CD1 3.4Å; W159-W168 VanDerWaalsContact CE3-CD1 3.4Å; W159-W168 AromaticContact CE3-CD2 3.5Å; W159-W168 HydrophobicContact CE3-CD2 3.5Å; W159-W168 VanDerWaalsContact CE3-CD2 3.5Å; W159-W168 AromaticContact CE3-CE2 3.39Å; W159-W168 HydrophobicContact CE3-CE3 4.25Å; W159-W168 AromaticContact CE3-CG 3.46Å; W159-W168 HydrophobicContact CE3-CG 3.46Å; W159-W168 VanDerWaalsContact CE3-CG 3.46Å; W159-W168 HydrophobicContact CE3-CZ2 4.04Å; W159-W168 AromaticContact CE3-NE1 3.31Å; W159-W168 VanDerWaalsContact CE3-NE1 3.31Å; W159-W168 HydrophobicContact CZ3-CB 4.34Å; W159-W168 AromaticContact CZ3-CD1 3.2Å; W159-W168 HydrophobicContact CZ3-CD2 4.15Å; W159-W168 AromaticContact CZ3-CE2 3.91Å; W159-W168 AromaticContact CZ3-CG 3.69Å; W159-W168 HydrophobicContact CZ3-CG 3.69Å; W159-W168 VanDerWaalsContact CZ3-N 3.25Å; W159-W168 AromaticContact CZ3-NE1 3.3Å; W159-W168 VanDerWaalsContact CZ3-NE1 3.3Å
169	F	88.1	Confident	81.8	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.3	172	64.3	-92.1	0	0	0	112.5	L139 F141 I147 V149 W157 W158 A171 V174	L139-F169 HydrophobicContact CB-CB 4.41Å; L139-F169 HydrophobicContact CB-CD1 4.47Å; L139-F169 HydrophobicContact CD2-CD1 3.97Å; L139-F169 HydrophobicContact CD2-CE1 4.49Å; F141-F169 HydrophobicContact CE1-CB 3.44Å; F141-F169 VanDerWaalsContact CE1-CB 3.44Å; F141-F169 HydrophobicContact CE1-CD2 4.37Å; F141-F169 AromaticContact CE1-CG 3.96Å; F141-F169 HydrophobicContact CE1-CG 3.96Å; F141-F169 HydrophobicContact CZ-CB 3.99Å; F141-F169 HydrophobicContact CZ-CD2 4.4Å; F141-F169 HydrophobicContact CZ-CG 4.42Å; I147-F169 HydrophobicContact CG2-CD1 4.19Å; I147-F169 HydrophobicContact CG2-CE1 3.58Å; I147-F169 HydrophobicContact CG2-CZ 3.91Å; V149-F169 HydrophobicContact CG2-CZ 4.26Å; W157-F169 CarbonylContact C-O 3.48Å; W157-F169 WeakPolarHBondContact CA-O 3.48Å; W158-F169 HydrophobicContact CB-CD2 4.48Å; W158-F169 HydrophobicContact CB-CE1 4.19Å; W158-F169 HydrophobicContact CB-CE2 3.84Å; W158-F169 HydrophobicContact CB-CZ 3.7Å; W158-F169 HydrophobicContact CE3-CE2 4.01Å; W158-F169 HydrophobicContact CE3-CZ 4.22Å; W158-F169 PolarHBondContact N-O 3.04Å; W158-F169 PolarHBondContact O-N 2.92Å; F169-A171 PolarHBondContact O-N 2.76Å; F169-V174 HydrophobicContact CD2-CG1 3.7Å; F169-V174 HydrophobicContact CD2-CG2 4.26Å; F169-V174 HydrophobicContact CE2-CB 4.23Å; F169-V174 HydrophobicContact CE2-CG1 3.63Å; F169-V174 HydrophobicContact CE2-CG2 3.58Å
170	P	82.4	Confident	80.5	Confident	10 Å²	10	56.9 Å²	56.9	7%	0.065	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.9	179.6	24.4	-30	0	0	0	111.7	D156 S172 F173	D156-P170 CarbonylContact O-C 3.58Å; D156-P170 VanDerWaalsContact O-CA 3.26Å; D156-P170 WeakPolarHBondContact O-CA 3.42Å; P170-S172 PolarHBondContact O-N 3.33Å; P170-S172 VanDerWaalsContact O-N 3.14Å; P170-F173 HydrophobicContact CB-CD1 3.82Å; P170-F173 HydrophobicContact CB-CE1 4.35Å; P170-F173 HydrophobicContact CB-CG 4.34Å; P170-F173 HydrophobicContact CG-CB 3.93Å; P170-F173 HydrophobicContact CG-CD1 3.49Å; P170-F173 VanDerWaalsContact CG-CD1 3.49Å; P170-F173 HydrophobicContact CG-CD2 4.15Å; P170-F173 HydrophobicContact CG-CE1 4.01Å; P170-F173 HydrophobicContact CG-CG 3.59Å; P170-F173 WeakPolarHBondContact O-CB 3.3Å; P170-F173 PolarHBondContact O-N 3.37Å
171	A	82.4	Confident	78.3	Confident	14 Å²	14	63 Å²	63	12%	0.116	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-58.9	-28.6	179.3	0	0	0	0	0	112.8	D156 W158 F169 F173 V174	D156-A171 PolarHBondContact O-N 3.49Å; W158-A171 HydrophobicContact CD2-CB 3.62Å; W158-A171 HydrophobicContact CE3-CB 4.18Å; W158-A171 HydrophobicContact CG-CB 3.98Å; W158-A171 HydrophobicContact CH2-CB 4.22Å; W158-A171 HydrophobicContact CZ2-CB 3.69Å; W158-A171 HydrophobicContact CZ3-CB 4.45Å; F169-A171 PolarHBondContact O-N 2.76Å; A171-F173 PolarHBondContact O-N 3.19Å; A171-V174 WeakPolarHBondContact O-CG2 3.23Å; A171-V174 PolarHBondContact O-N 3Å
172	S	76	Confident	75.8	Confident	57 Å²	57	66.8 Å²	66.8	40%	0.399	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-71.6	-13.6	178.3	55	0	0	0	0	114.1	P170	P170-S172 PolarHBondContact O-N 3.33Å; P170-S172 VanDerWaalsContact O-N 3.14Å
173	F	74.6	Confident	73.5	Confident	66 Å²	66	69.6 Å²	69.6	29%	0.289	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-94.2	-2.5	-179.1	-78.5	49.9	0	0	0	112.4	V128 W129 H131 F141 P170 A171	V128-F173 PolarHBondContact N-O 3.3Å; W129-F173 HydrophobicContact CB-CB 4.41Å; W129-F173 HydrophobicContact CB-CD2 3.57Å; W129-F173 HydrophobicContact CB-CE2 4.03Å; W129-F173 HydrophobicContact CB-CG 4.1Å; W129-F173 HydrophobicContact CG-CD2 4.46Å; W129-F173 PolarHBondContact N-O 3.35Å; H131-F173 HydrophobicContact CB-CD2 4.07Å; F141-F173 HydrophobicContact CE2-CB 4.16Å; F141-F173 HydrophobicContact CZ-CB 4.1Å; P170-F173 HydrophobicContact CB-CD1 3.82Å; P170-F173 HydrophobicContact CB-CE1 4.35Å; P170-F173 HydrophobicContact CB-CG 4.34Å; P170-F173 HydrophobicContact CG-CB 3.93Å; P170-F173 HydrophobicContact CG-CD1 3.49Å; P170-F173 VanDerWaalsContact CG-CD1 3.49Å; P170-F173 HydrophobicContact CG-CD2 4.15Å; P170-F173 HydrophobicContact CG-CE1 4.01Å; P170-F173 HydrophobicContact CG-CG 3.59Å; P170-F173 WeakPolarHBondContact O-CB 3.3Å; P170-F173 PolarHBondContact O-N 3.37Å; A171-F173 PolarHBondContact O-N 3.19Å
174	V	81.4	Confident	71.2	Confident	14 Å²	14	66.6 Å²	66.6	9%	0.085	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	157.1	-176.1	-54.7	0	0	0	0	111.4	A125 E126 F141 I147 W158 F169 A171	A125-V174 HydrophobicContact CB-CB 4.01Å; A125-V174 HydrophobicContact CB-CG2 4Å; E126-V174 CarbonylContact O-C 3.58Å; E126-V174 VanDerWaalsContact O-CA 3.29Å; E126-V174 WeakPolarHBondContact O-CA 3.45Å; F141-V174 HydrophobicContact CE2-CG1 4.29Å; F141-V174 HydrophobicContact CZ-CG1 4.02Å; I147-V174 HydrophobicContact CD1-CG1 3.78Å; W158-V174 HydrophobicContact CE3-CG2 4.01Å; W158-V174 HydrophobicContact CZ3-CG2 3.86Å; F169-V174 HydrophobicContact CD2-CG1 3.7Å; F169-V174 HydrophobicContact CD2-CG2 4.26Å; F169-V174 HydrophobicContact CE2-CB 4.23Å; F169-V174 HydrophobicContact CE2-CG1 3.63Å; F169-V174 HydrophobicContact CE2-CG2 3.58Å; A171-V174 WeakPolarHBondContact O-CG2 3.23Å; A171-V174 PolarHBondContact O-N 3Å
175	R	78.8	Confident	68.9	Low	26 Å²	26	62 Å²	62	10%	0.098	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.1	171.8	-173.1	-169.2	74.8	151.9	-5.7	109.2	A125 E126 V128 L366	A125-R175 CarbonylContact C-O 3.59Å; A125-R175 WeakPolarHBondContact CA-O 3.43Å; E126-R175 PolarHBondContact N-O 3.48Å; E126-R175 PolarHBondContact O-N 3.39Å; V128-R175 HydrophobicContact CG2-CB 3.85Å; R175-L366 HydrophobicContact CB-CD1 3.92Å; R175-L366 HydrophobicContact CG-CD1 4.47Å; R175-L366 VanDerWaalsContact NH1-C 3.29Å; R175-L366 PolarHBondContact NH1-O 2.86Å; R175-L366 PolarHBondContact NH2-O 2.8Å
176	L	81	Confident	66.4	Low	55 Å²	55	64.3 Å²	64.3	29%	0.288	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	137.2	170.7	-69.1	163.7	0	0	0	110.8	V113 V123 A125 V149 W158	V113-L176 HydrophobicContact CG1-CD1 4.43Å; V113-L176 HydrophobicContact CG1-CD2 4.19Å; V113-L176 HydrophobicContact CG2-CD1 3.45Å; V113-L176 VanDerWaalsContact CG2-CD1 3.45Å; V123-L176 HydrophobicContact CG1-CD2 3.36Å; A125-L176 HydrophobicContact CB-CD2 4.31Å; V149-L176 HydrophobicContact CG2-CD2 4.27Å; W158-L176 HydrophobicContact CH2-CD1 3.78Å; W158-L176 HydrophobicContact CH2-CD2 4.24Å; W158-L176 HydrophobicContact CH2-CG 3.97Å; W158-L176 HydrophobicContact CZ3-CD1 4.23Å; W158-L176 HydrophobicContact CZ3-CD2 3.85Å; W158-L176 HydrophobicContact CZ3-CG 3.92Å
177	W	75.2	Confident	63.6	Low	64 Å²	64	65.2 Å²	65.2	24%	0.242	38%	0.382	C	S	.	.			trans	-69.8	133.7	169.5	-71.9	7.4	0	0	0	109.6	N124 V146 N179	N124-W177 HydrophobicContact CB-CD2 3.97Å; N124-W177 HydrophobicContact CB-CE3 3.84Å; N124-W177 HydrophobicContact CB-CG 4.33Å; N124-W177 HydrophobicContact CB-CZ3 4.33Å; N124-W177 PolarHBondContact O-N 3.07Å; V146-W177 HydrophobicContact CB-CZ2 4.34Å; V146-W177 HydrophobicContact CG1-CH2 3.92Å; V146-W177 HydrophobicContact CG1-CZ2 3.75Å; V146-W177 HydrophobicContact CG2-CH2 4.07Å; V146-W177 HydrophobicContact CG2-CZ2 3.57Å; W177-N179 PolarHBondContact O-N 3.31Å
178	V	55.8	Low	60.8	Low	68 Å²	68	69.9 Å²	69.9	41%	0.412	42%	0.421	S	S	.	.	S	Bend	trans	-67.3	-27.2	-178.8	-172.7	0	0	0	0	110.4	E225	V178-E225 WeakPolarHBondContact CG2-OE2 3.46Å
179	N	58.4	Low	58.3	Low	32 Å²	32	75.3 Å²	75.3	17%	0.171	45%	0.45	C	S	.	.			trans	-122	104.6	-176.9	-54.1	-48.2	0	0	0	108.6	W177 E181 M218 E370 Y374	W177-N179 PolarHBondContact O-N 3.31Å; N179-E181 PolarHBondContact O-N 3.03Å; N179-M218 HydrophobicContact CB-CE 4.03Å; N179-M218 WeakPolarHBondContact ND2-CE 3.43Å; N179-M218 WeakPolarHBondContact OD1-CE 3.24Å; N179-E370 PolarHBondContact ND2-OE1 3Å; N179-Y374 PolarHBondContact ND2-OH 2.9Å
180	Q	61	Low	55.4	Low	42 Å²	42	78.8 Å²	78.8	20%	0.196	49%	0.486	C	S	.	.			trans	-78.3	109.6	167.8	-67.3	172.1	31	0	0	105.9	V122 D182	V122-Q180 WeakPolarHBondContact O-CB 3.24Å; V122-Q180 WeakPolarHBondContact O-CG 3.37Å; V122-Q180 PolarHBondContact O-OE1 3.46Å; Q180-D182 PolarHBondContact O-N 3.22Å
181	E	46.9	Very low	53	Low	129 Å²	129	84.7 Å²	84.7	60%	0.603	52%	0.522	S	S	*	.			trans	-63.2	106.4	175.5	-69.5	179.7	177.8	0	0	107.6	N179 G183 K373	N179-E181 PolarHBondContact O-N 3.03Å; E181-G183 PolarHBondContact O-N 3.45Å; E181-K373 IonicContact OE1-NZ 3.36Å; E181-K373 PolarHBondContact OE1-NZ 2.77Å
182	D	39.6	Very low	50.5	Low	128 Å²	128	88.8 Å²	88.8	68%	0.684	55%	0.55	S	S	*	.			trans	-62.7	103.8	168.2	-87.4	-27.6	0	0	0	106.9	Q180 A184	Q180-D182 PolarHBondContact O-N 3.22Å; D182-A184 PolarHBondContact O-N 3.29Å
183	G	41.5	Very low	48.3	Very low	87 Å²	87	95.1 Å²	95.1	90%	0.897	57%	0.573	S	S	*	*			trans	-64	85	172.1	0	0	0	0	0	110.1	E181	E181-G183 PolarHBondContact O-N 3.45Å
184	A	35	Very low	46.4	Very low	87 Å²	87	98.4 Å²	98.4	72%	0.719	60%	0.598	S	S	*	*			trans	-125.1	94.2	172.7	0	0	0	0	0	109.8	D182	D182-A184 PolarHBondContact O-N 3.29Å
185	A	32.7	Very low	43.9	Very low	93 Å²	93	105.5 Å²	105.5	77%	0.769	63%	0.631	S	S	*	*			trans	51.2	104.3	152.1	0	0	0	0	0	118.7	P187	A185-P187 WeakPolarHBondContact O-CD 3.42Å
186	E	31.4	Very low	41.7	Very low	186 Å²	186	111.5 Å²	111.5	87%	0.869	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-50.2	123.6	152.2	-68.8	-76.4	127.6	0	0	111.2
187	P	34.3	Very low	39.3	Very low	119 Å²	119	112.7 Å²	112.7	77%	0.773	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-85.8	119.7	159.7	12.4	5.1	0	0	0	108.9	A185	A185-P187 WeakPolarHBondContact O-CD 3.42Å
188	A	32	Very low	37.3	Very low	98 Å²	98	118.1 Å²	118.1	81%	0.81	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-50.2	137	-179.5	0	0	0	0	0	114.1	G190	A188-G190 PolarHBondContact O-N 3.35Å
189	E	35.7	Very low	36.5	Very low	206 Å²	206	122.6 Å²	122.6	96%	0.963	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-57.6	121.4	163.1	-71.4	-176.5	146	0	0	110.5
190	G	28.3	Very low	35.2	Very low	73 Å²	73	127.6 Å²	127.6	75%	0.753	77%	0.765	S	S	*	*			trans	-132.8	105.3	168.8	0	0	0	0	0	109.2	A188	A188-G190 PolarHBondContact O-N 3.35Å
191	T	30.8	Very low	34.4	Very low	135 Å²	135	131 Å²	131	83%	0.828	79%	0.791	S	S	*	*			trans	-57.8	134	169.9	47.9	0	0	0	0	111.8
192	S	30.4	Very low	34.1	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	80%	0.796	S	S	*	*				151.3	135.5	115.9	64.6	0	0	0	0	114.5
193	E	29	Very low	33.7	Very low	190 Å²	190	132 Å²	132	89%	0.888	81%	0.805	S	S	*	*			trans	93.4	128.3	145.5	-72.5	173.5	-168.1	0	0	121.8
194	V	34.3	Very low	33.6	Very low	135 Å²	135	136.3 Å²	136.3	82%	0.818	81%	0.807	S	S	*	*			trans	-85.2	141.7	177	-178.7	0	0	0	0	108.3
195	Q	30.6	Very low	33.5	Very low	163 Å²	163	137.9 Å²	137.9	76%	0.762	81%	0.812	S	S	*	*				146.5	138.7	121.5	-160.8	149.4	36.7	0	0	115.2
196	N	30.8	Very low	34.1	Very low	152 Å²	152	140.9 Å²	140.9	81%	0.813	81%	0.814	S	S	*	*			trans	90.5	126.3	159.9	-69	-23.8	0	0	0	120.2
197	G	31.6	Very low	34.4	Very low	80 Å²	80	138 Å²	138	83%	0.825	81%	0.813	S	S	*	*			trans	-96.4	176.5	-168.1	0	0	0	0	0	115.6
198	H	32.2	Very low	34.6	Very low	177 Å²	177	140.9 Å²	140.9	82%	0.819	82%	0.821	S	S	*	*			trans	-158.2	124.1	151.7	-165.4	-23.8	0	0	0	107
199	L	39.2	Very low	34.9	Very low	163 Å²	163	139.4 Å²	139.4	85%	0.853	82%	0.816	S	S	*	*			trans	-74.4	126.5	166.8	-72.4	159.5	0	0	0	108.7
200	D	31.1	Very low	35.2	Very low	136 Å²	136	131.9 Å²	131.9	73%	0.727	79%	0.786	S	S	*	*			trans	-140.6	119.3	154.7	-155.4	4.9	0	0	0	109.5
201	P	44.3	Very low	36.5	Very low	113 Å²	113	133.8 Å²	133.8	73%	0.734	79%	0.785	S	S	*	*			trans	-104	71.1	-170.3	38.5	-30.1	0	0	0	111.7
202	T	41	Very low	37.5	Very low	117 Å²	117	132.7 Å²	132.7	72%	0.718	77%	0.773	S	S	*	*			trans	-161.6	93.6	164.1	43.4	0	0	0	0	110.9
203	N	31.3	Very low	38.9	Very low	163 Å²	163	134.2 Å²	134.2	87%	0.872	77%	0.769	S	S	*	*			trans	-165.9	98.7	146.6	-110	-17.4	0	0	0	109.8	C205	N203-C205 PolarHBondContact O-N 3.24Å; N203-C205 VanDerWaalsContact O-N 3.13Å
204	D	40.5	Very low	41.3	Very low	176 Å²	176	130.2 Å²	130.2	94%	0.941	75%	0.754	S	S	*	*			trans	-59.4	106.3	155.6	-84.1	-35.4	0	0	0	108.3
205	C	32.1	Very low	43.8	Very low	120 Å²	120	128 Å²	128	81%	0.811	73%	0.731	S	S	*	*			trans	-136.1	110.8	159.8	-165.7	0	0	0	0	108.6	N203	N203-C205 PolarHBondContact O-N 3.24Å; N203-C205 VanDerWaalsContact O-N 3.13Å
206	L	44.9	Very low	46.7	Very low	157 Å²	157	122.8 Å²	122.8	82%	0.822	71%	0.708	S	S	*	*			trans	-59.7	153.1	174.2	-65.3	160.2	0	0	0	110.9
207	C	38.8	Very low	49.7	Very low	125 Å²	125	120.7 Å²	120.7	85%	0.845	69%	0.694	S	S	*	*			trans	91.2	65.4	160.4	-47	0	0	0	0	117.8
208	L	37.5	Very low	52.5	Low	179 Å²	179	118.4 Å²	118.4	94%	0.937	66%	0.662	S	S	*	*			trans	-125.9	92.7	143.3	-84.8	161.7	0	0	0	107.1	S210	L208-S210 PolarHBondContact O-N 3.46Å; L208-S210 VanDerWaalsContact O-N 3.13Å
209	G	38.7	Very low	55.6	Low	68 Å²	68	110 Å²	110	70%	0.701	62%	0.623	S	S	*	*			trans	-57.2	117.4	172.5	0	0	0	0	0	109.1
210	S	42	Very low	58.3	Low	48 Å²	48	102.6 Å²	102.6	34%	0.336	59%	0.585	S	S	.	*			trans	-60.3	145.6	177.2	57.8	0	0	0	0	110.8	L208 L212 Q213 N214	L208-S210 PolarHBondContact O-N 3.46Å; L208-S210 VanDerWaalsContact O-N 3.13Å; S210-L212 PolarHBondContact O-N 3.48Å; S210-Q213 PolarHBondContact O-N 2.9Å; S210-Q213 PolarHBondContact OG-OE1 3.43Å; S210-N214 PolarHBondContact O-N 3.47Å
211	P	54.4	Low	61.3	Low	113 Å²	113	99.3 Å²	99.3	73%	0.734	57%	0.568	S	S	*	*	H	α-helix	trans	-54.5	-25.9	177.3	-25.4	32.7	0	0	0	114	R215	P211-R215 PolarHBondContact O-N 3.26Å
212	L	53.3	Low	63.7	Low	112 Å²	112	94.1 Å²	94.1	59%	0.586	53%	0.534	S	S	*	.	H	α-helix	trans	-69.4	-47.1	179.2	-65.1	171.7	0	0	0	112.5	S210 N214 R215 D216	S210-L212 PolarHBondContact O-N 3.48Å; L212-N214 PolarHBondContact O-N 3.32Å; L212-R215 PolarHBondContact O-N 2.89Å; L212-R215 VanDerWaalsContact O-N 3.07Å; L212-D216 PolarHBondContact O-N 3.4Å
213	Q	58.5	Low	66.4	Low	131 Å²	131	88.6 Å²	88.6	61%	0.612	50%	0.5	S	S	*	.	H	α-helix	trans	-63.2	-31.8	177.2	-81.9	168.1	-17.6	0	0	112.5	S210 Q217	S210-Q213 PolarHBondContact O-N 2.9Å; S210-Q213 PolarHBondContact OG-OE1 3.43Å; Q213-Q217 WeakPolarHBondContact O-CB 3.29Å; Q213-Q217 PolarHBondContact O-N 3.35Å; Q213-Q217 VanDerWaalsContact O-N 3.13Å
214	N	80.1	Confident	69.4	Low	107 Å²	107	83.5 Å²	83.5	57%	0.572	47%	0.473	S	S	*	.	H	α-helix	trans	-65.6	-47.4	172.9	-164.2	-9.5	0	0	0	110.1	S210 L212 D216 Q217 M218	S210-N214 PolarHBondContact O-N 3.47Å; L212-N214 PolarHBondContact O-N 3.32Å; N214-D216 PolarHBondContact O-N 2.86Å; N214-Q217 PolarHBondContact O-N 3.43Å; N214-M218 WeakPolarHBondContact O-CG 3.2Å; N214-M218 PolarHBondContact O-N 2.96Å
215	R	86.6	Confident	71.9	Confident	88 Å²	88	77.9 Å²	77.9	33%	0.332	44%	0.441	S	S	.	.	H	α-helix	trans	-63.1	-41.3	-179.8	-159.3	180	67.9	178	-8.6	113.4	P211 L212 M218 R219 Y374	P211-R215 PolarHBondContact O-N 3.26Å; L212-R215 PolarHBondContact O-N 2.89Å; L212-R215 VanDerWaalsContact O-N 3.07Å; R215-M218 WeakPolarHBondContact O-CB 3.24Å; R215-M218 PolarHBondContact O-N 2.95Å; R215-R219 PolarHBondContact O-N 3.15Å; R215-Y374 HydrophobicContact CG-CD1 4.05Å
216	D	92.8	Very high	74.9	Confident	53 Å²	53	72.2 Å²	72.2	28%	0.283	40%	0.402	S	S	.	.	H	α-helix	trans	-67.3	-39.7	178.9	-63.8	-24.6	0	0	0	111.2	L212 N214 M218 R219 A220 H291	L212-D216 PolarHBondContact O-N 3.4Å; N214-D216 PolarHBondContact O-N 2.86Å; D216-M218 VanDerWaalsContact C-N 3.3Å; D216-M218 PolarHBondContact O-N 3.44Å; D216-R219 PolarHBondContact O-N 3Å; D216-A220 PolarHBondContact O-N 3.44Å; D216-H291 HydrophobicContact CB-CB 4.29Å; D216-H291 VanDerWaalsContact O-CB 3.25Å; D216-H291 WeakPolarHBondContact O-CB 3.38Å
217	Q	93.4	Very high	77.4	Confident	108 Å²	108	64.9 Å²	64.9	51%	0.505	36%	0.364	S	S	.	.	H	α-helix	trans	-61.5	-39.7	171.7	-174.1	60.4	61.2	0	0	111.7	Q213 N214 A220 N221	Q213-Q217 WeakPolarHBondContact O-CB 3.29Å; Q213-Q217 PolarHBondContact O-N 3.35Å; Q213-Q217 VanDerWaalsContact O-N 3.13Å; N214-Q217 PolarHBondContact O-N 3.43Å; Q217-A220 WeakPolarHBondContact O-CB 3.5Å; Q217-A220 PolarHBondContact O-N 2.95Å; Q217-N221 PolarHBondContact NE2-OD1 3.49Å; Q217-N221 PolarHBondContact O-N 3.18Å; Q217-N221 PolarHBondContact O-ND2 3.33Å; Q217-N221 PolarHBondContact O-OD1 2.9Å
218	M	90.6	Very high	80	Confident	33 Å²	33	61.1 Å²	61.1	16%	0.163	34%	0.339	C	S	.	.	H	α-helix	trans	-64.6	-44	176.3	-64.4	-62.1	-82.3	0	0	111.6	N179 N214 R215 D216 A220 N221 V222 Y374	N179-M218 HydrophobicContact CB-CE 4.03Å; N179-M218 WeakPolarHBondContact ND2-CE 3.43Å; N179-M218 WeakPolarHBondContact OD1-CE 3.24Å; N214-M218 WeakPolarHBondContact O-CG 3.2Å; N214-M218 PolarHBondContact O-N 2.96Å; R215-M218 WeakPolarHBondContact O-CB 3.24Å; R215-M218 PolarHBondContact O-N 2.95Å; D216-M218 VanDerWaalsContact C-N 3.3Å; D216-M218 PolarHBondContact O-N 3.44Å; M218-A220 PolarHBondContact O-N 3.44Å; M218-N221 WeakPolarHBondContact O-CB 3.4Å; M218-N221 PolarHBondContact O-N 3.25Å; M218-V222 WeakPolarHBondContact O-CG2 3.31Å; M218-V222 PolarHBondContact O-N 3.29Å; M218-V222 VanDerWaalsContact O-N 3.08Å; M218-Y374 HydrophobicContact CB-CD1 3.65Å; M218-Y374 HydrophobicContact CB-CD2 4.11Å; M218-Y374 HydrophobicContact CB-CE1 3.91Å; M218-Y374 HydrophobicContact CB-CE2 4.34Å; M218-Y374 HydrophobicContact CB-CG 3.76Å; M218-Y374 HydrophobicContact CE-CE1 4.19Å; M218-Y374 HydrophobicContact CE-CE2 4.34Å; M218-Y374 HydrophobicContact CG-CD1 4.33Å; M218-Y374 HydrophobicContact CG-CE1 4.19Å
219	R	97.1	Very high	82.7	Confident	1 Å²	1	54.6 Å²	54.6	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-45.4	172.9	179.5	169.4	165.7	85.3	6.4	111.3	R215 D216 N221 V222 I223 H291 S293 L371 T375 H379 D381	R215-R219 PolarHBondContact O-N 3.15Å; D216-R219 PolarHBondContact O-N 3Å; R219-N221 VanDerWaalsContact C-N 3.3Å; R219-N221 PolarHBondContact O-N 3.14Å; R219-V222 PolarHBondContact O-N 3.14Å; R219-I223 WeakPolarHBondContact O-CG1 3.2Å; R219-I223 PolarHBondContact O-N 3.36Å; R219-H291 HydrophobicContact CB-CB 4.41Å; R219-H291 WeakPolarHBondContact CD-O 3.42Å; R219-H291 HydrophobicContact CG-CB 4.46Å; R219-H291 PolarHBondContact NE-O 2.89Å; R219-S293 PolarHBondContact NH2-O 2.93Å; R219-L371 HydrophobicContact CG-CD1 3.92Å; R219-T375 PolarHBondContact NH1-OG1 2.95Å; R219-H379 PolarHBondContact NE-NE2 2.87Å; R219-H379 PolarHBondContact NH2-CE1 3.24Å; R219-H379 VanDerWaalsContact NH2-CE1 3.34Å; R219-D381 IonicContact CZ-OD2 3.3Å; R219-D381 IonicContact NH1-OD2 3.95Å; R219-D381 IonicContact NH2-OD2 3.68Å; R219-D381 PolarHBondContact NH2-OD2 3.23Å
220	A	96.3	Very high	85.4	Confident	6 Å²	6	51.4 Å²	51.4	5%	0.05	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-41	175.4	0	0	0	0	0	112.5	D216 Q217 M218 I223 N224 P290 H291	D216-A220 PolarHBondContact O-N 3.44Å; Q217-A220 WeakPolarHBondContact O-CB 3.5Å; Q217-A220 PolarHBondContact O-N 2.95Å; M218-A220 PolarHBondContact O-N 3.44Å; A220-I223 PolarHBondContact O-N 2.92Å; A220-N224 WeakPolarHBondContact O-CB 3.37Å; A220-N224 VanDerWaalsContact O-CG 3.32Å; A220-N224 PolarHBondContact O-N 3.36Å; A220-N224 PolarHBondContact O-ND2 2.88Å; A220-P290 HydrophobicContact CB-CB 4.05Å; A220-H291 HydrophobicContact CB-CB 4.07Å
221	N	93.4	Very high	88	Confident	68 Å²	68	54.1 Å²	54.1	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-61.9	-45	177.3	-65.5	-14.2	0	0	0	111.3	Q217 M218 R219 N224 E225	Q217-N221 PolarHBondContact NE2-OD1 3.49Å; Q217-N221 PolarHBondContact O-N 3.18Å; Q217-N221 PolarHBondContact O-ND2 3.33Å; Q217-N221 PolarHBondContact O-OD1 2.9Å; M218-N221 WeakPolarHBondContact O-CB 3.4Å; M218-N221 PolarHBondContact O-N 3.25Å; R219-N221 VanDerWaalsContact C-N 3.3Å; R219-N221 PolarHBondContact O-N 3.14Å; N221-N224 PolarHBondContact O-N 2.9Å; N221-E225 PolarHBondContact O-N 3.41Å
222	V	94.4	Very high	89.7	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.024	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-44.7	177.6	179.2	0	0	0	0	111.3	M218 R219 N224 E225 I226 E370 L371 Y374	M218-V222 WeakPolarHBondContact O-CG2 3.31Å; M218-V222 PolarHBondContact O-N 3.29Å; M218-V222 VanDerWaalsContact O-N 3.08Å; R219-V222 PolarHBondContact O-N 3.14Å; V222-N224 VanDerWaalsContact C-N 3.35Å; V222-N224 PolarHBondContact O-N 3.2Å; V222-E225 PolarHBondContact O-N 3.28Å; V222-I226 HydrophobicContact CG1-CD1 3.98Å; V222-I226 HydrophobicContact CG1-CG1 4.49Å; V222-I226 WeakPolarHBondContact O-CG1 3.4Å; V222-I226 PolarHBondContact O-N 2.96Å; V222-E370 HydrophobicContact CG1-CB 4.49Å; V222-E370 HydrophobicContact CG1-CG 4.5Å; V222-E370 HydrophobicContact CG2-CG 3.78Å; V222-L371 HydrophobicContact CB-CD1 4.32Å; V222-L371 HydrophobicContact CG1-CB 3.87Å; V222-L371 HydrophobicContact CG1-CD1 4.07Å; V222-Y374 HydrophobicContact CG2-CD2 4.2Å
223	I	97.4	Very high	91.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.3	-48.1	175.4	-67.9	-66	0	0	0	110.5	R219 A220 E225 I226 M227 Y285 I295 L371	R219-I223 WeakPolarHBondContact O-CG1 3.2Å; R219-I223 PolarHBondContact O-N 3.36Å; A220-I223 PolarHBondContact O-N 2.92Å; I223-E225 VanDerWaalsContact C-N 3.32Å; I223-E225 PolarHBondContact O-N 3.21Å; I223-I226 PolarHBondContact O-N 2.9Å; I223-M227 HydrophobicContact CG2-CG 4.34Å; I223-M227 VanDerWaalsContact O-CG 3.29Å; I223-M227 WeakPolarHBondContact O-CG 3.41Å; I223-M227 PolarHBondContact O-N 2.74Å; I223-Y285 HydrophobicContact CG2-CD2 3.85Å; I223-Y285 HydrophobicContact CG2-CE2 3.89Å; I223-I295 HydrophobicContact CD1-CD1 3.51Å; I223-I295 HydrophobicContact CD1-CG1 3.75Å; I223-I295 HydrophobicContact CD1-CG2 4.37Å; I223-L371 HydrophobicContact CD1-CD1 3.63Å; I223-L371 HydrophobicContact CD1-CD2 4Å; I223-L371 HydrophobicContact CD1-CG 4.49Å; I223-L371 HydrophobicContact CG1-CD1 3.94Å
224	N	94.3	Very high	93.6	Very high	57 Å²	57	44.1 Å²	44.1	31%	0.305	22%	0.217	S	C	.	.	H	α-helix	trans	-61.7	-39.7	179.1	-78	-40.4	0	0	0	112.6	A220 N221 V222 S228 Y285	A220-N224 WeakPolarHBondContact O-CB 3.37Å; A220-N224 VanDerWaalsContact O-CG 3.32Å; A220-N224 PolarHBondContact O-N 3.36Å; A220-N224 PolarHBondContact O-ND2 2.88Å; N221-N224 PolarHBondContact O-N 2.9Å; V222-N224 VanDerWaalsContact C-N 3.35Å; V222-N224 PolarHBondContact O-N 3.2Å; N224-S228 WeakPolarHBondContact O-CB 3.45Å; N224-S228 PolarHBondContact O-N 2.93Å; N224-Y285 PolarHBondContact OD1-OH 3.33Å; N224-Y285 VanDerWaalsContact OD1-OH 3.08Å
225	E	94.3	Very high	94.2	Very high	58 Å²	58	44 Å²	44	27%	0.271	21%	0.211	S	C	.	.	H	α-helix	trans	-63.2	-46.2	174.2	-170.4	-156.4	136	0	0	111.3	V178 N221 V222 I223 M227 S228 T229	V178-E225 WeakPolarHBondContact CG2-OE2 3.46Å; N221-E225 PolarHBondContact O-N 3.41Å; V222-E225 PolarHBondContact O-N 3.28Å; I223-E225 VanDerWaalsContact C-N 3.32Å; I223-E225 PolarHBondContact O-N 3.21Å; E225-M227 PolarHBondContact O-N 3.11Å; E225-S228 PolarHBondContact O-N 3.06Å; E225-T229 HydrophobicContact CG-CG2 4.14Å; E225-T229 WeakPolarHBondContact O-CB 3.48Å; E225-T229 VanDerWaalsContact O-CG2 3.24Å; E225-T229 WeakPolarHBondContact O-CG2 3.34Å; E225-T229 PolarHBondContact O-N 3.36Å; E225-T229 PolarHBondContact O-OG1 2.72Å
226	I	95.1	Very high	94.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-57.4	-53.4	176.8	-69.7	168.7	0	0	0	109.6	V222 I223 S228 T229 E230 I295 Q367 L371	V222-I226 HydrophobicContact CG1-CD1 3.98Å; V222-I226 HydrophobicContact CG1-CG1 4.49Å; V222-I226 WeakPolarHBondContact O-CG1 3.4Å; V222-I226 PolarHBondContact O-N 2.96Å; I223-I226 PolarHBondContact O-N 2.9Å; I226-S228 VanDerWaalsContact C-N 3.32Å; I226-S228 PolarHBondContact O-N 3.06Å; I226-T229 PolarHBondContact O-N 2.88Å; I226-T229 PolarHBondContact O-OG1 3.35Å; I226-E230 HydrophobicContact CG2-CG 4.45Å; I226-E230 WeakPolarHBondContact O-CG 3.31Å; I226-E230 PolarHBondContact O-N 2.95Å; I226-I295 HydrophobicContact CD1-CD1 3.85Å; I226-I295 HydrophobicContact CG2-CD1 4.14Å; I226-Q367 HydrophobicContact CD1-CB 4.18Å; I226-Q367 HydrophobicContact CG1-CB 4Å; I226-Q367 HydrophobicContact CG1-CG 4.46Å; I226-L371 HydrophobicContact CD1-CD2 4.43Å
227	M	96.9	Very high	94.8	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-42.4	179.9	-65.1	-53.2	-68.3	0	0	112.5	I223 E225 R231 L281 E282 Y285	I223-M227 HydrophobicContact CG2-CG 4.34Å; I223-M227 VanDerWaalsContact O-CG 3.29Å; I223-M227 WeakPolarHBondContact O-CG 3.41Å; I223-M227 PolarHBondContact O-N 2.74Å; E225-M227 PolarHBondContact O-N 3.11Å; M227-R231 WeakPolarHBondContact O-CG 3.39Å; M227-R231 PolarHBondContact O-N 2.9Å; M227-R231 VanDerWaalsContact O-N 3.14Å; M227-L281 HydrophobicContact CE-CB 4.1Å; M227-L281 HydrophobicContact SD-CB 3.98Å; M227-E282 HydrophobicContact CE-CB 4.19Å; M227-E282 HydrophobicContact CE-CG 3.49Å; M227-E282 VanDerWaalsContact CE-CG 3.49Å; M227-Y285 HydrophobicContact CG-CD2 3.88Å; M227-Y285 HydrophobicContact CG-CE2 4.37Å
228	S	92.9	Very high	95	Very high	45 Å²	45	38.4 Å²	38.4	32%	0.315	19%	0.186	S	C	.	.	H	α-helix	trans	-64	-49.2	176.9	-176.8	0	0	0	0	111.3	N224 E225 I226 E230 R231 H232	N224-S228 WeakPolarHBondContact O-CB 3.45Å; N224-S228 PolarHBondContact O-N 2.93Å; E225-S228 PolarHBondContact O-N 3.06Å; I226-S228 VanDerWaalsContact C-N 3.32Å; I226-S228 PolarHBondContact O-N 3.06Å; S228-E230 VanDerWaalsContact C-N 3.34Å; S228-E230 PolarHBondContact O-N 3.08Å; S228-R231 PolarHBondContact O-N 3.44Å; S228-H232 PolarHBondContact O-N 3.06Å; S228-H232 PolarHBondContact O-ND1 3.03Å; S228-H232 PolarHBondContact OG-CE1 2.84Å; S228-H232 PolarHBondContact OG-ND1 2.99Å
229	T	93.3	Very high	95.2	Very high	42 Å²	42	37.3 Å²	37.3	26%	0.258	18%	0.181	S	C	.	.	H	α-helix	trans	-66.1	-35.1	-178.1	57.6	0	0	0	0	112	E225 I226 H232 Y233 Q367	E225-T229 HydrophobicContact CG-CG2 4.14Å; E225-T229 WeakPolarHBondContact O-CB 3.48Å; E225-T229 VanDerWaalsContact O-CG2 3.24Å; E225-T229 WeakPolarHBondContact O-CG2 3.34Å; E225-T229 PolarHBondContact O-N 3.36Å; E225-T229 PolarHBondContact O-OG1 2.72Å; I226-T229 PolarHBondContact O-N 2.88Å; I226-T229 PolarHBondContact O-OG1 3.35Å; T229-H232 PolarHBondContact O-N 2.99Å; T229-Y233 VanDerWaalsContact O-CB 3.27Å; T229-Y233 WeakPolarHBondContact O-CB 3.44Å; T229-Y233 PolarHBondContact O-N 3.49Å; T229-Q367 PolarHBondContact OG1-NE2 2.83Å
230	E	96.6	Very high	95.2	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-46.1	171.1	-72.9	-36.4	99.7	0	0	112	I226 S228 H232 Y233 I234 Q274 F277 V278 L281 K360 Y364	I226-E230 HydrophobicContact CG2-CG 4.45Å; I226-E230 WeakPolarHBondContact O-CG 3.31Å; I226-E230 PolarHBondContact O-N 2.95Å; S228-E230 VanDerWaalsContact C-N 3.34Å; S228-E230 PolarHBondContact O-N 3.08Å; E230-H232 VanDerWaalsContact C-N 3.35Å; E230-H232 PolarHBondContact O-N 3.4Å; E230-Y233 PolarHBondContact O-N 3.25Å; E230-I234 WeakPolarHBondContact O-CG2 3.47Å; E230-I234 PolarHBondContact O-N 3.13Å; E230-Q274 PolarHBondContact OE2-NE2 3.49Å; E230-F277 WeakPolarHBondContact OE2-CE1 3.32Å; E230-V278 HydrophobicContact CB-CG2 3.92Å; E230-V278 HydrophobicContact CG-CG2 4.46Å; E230-L281 HydrophobicContact CG-CD1 3.7Å; E230-K360 WeakPolarHBondContact OE1-CE 3.33Å; E230-K360 IonicContact OE1-NZ 3.71Å; E230-K360 PolarHBondContact OE1-NZ 3.27Å; E230-Y364 VanDerWaalsContact OE1-CE1 3.31Å; E230-Y364 WeakPolarHBondContact OE1-CE1 3.1Å; E230-Y364 PolarHBondContact OE2-OH 3.37Å
231	R	95.8	Very high	95.3	Very high	105 Å²	105	37.4 Å²	37.4	40%	0.396	18%	0.181	S	C	.	.	H	α-helix	trans	-63.7	-37.8	178.7	-78.1	-172.9	-70.5	-93.9	-0.1	112.9	M227 S228 I234 K235 E282	M227-R231 WeakPolarHBondContact O-CG 3.39Å; M227-R231 PolarHBondContact O-N 2.9Å; M227-R231 VanDerWaalsContact O-N 3.14Å; S228-R231 PolarHBondContact O-N 3.44Å; R231-I234 VanDerWaalsContact O-CG2 3.24Å; R231-I234 WeakPolarHBondContact O-CG2 3.22Å; R231-K235 WeakPolarHBondContact O-CB 3.44Å; R231-K235 PolarHBondContact O-N 3.01Å; R231-E282 IonicContact NH1-OE1 3.63Å
232	H	90.1	Very high	95.4	Very high	104 Å²	104	36.5 Å²	36.5	48%	0.481	17%	0.174	S	C	.	.	H	α-helix	trans	-68.7	-42.9	173.9	-71.3	94.3	0	0	0	111.3	S228 T229 E230 K235 H236	S228-H232 PolarHBondContact O-N 3.06Å; S228-H232 PolarHBondContact O-ND1 3.03Å; S228-H232 PolarHBondContact OG-CE1 2.84Å; S228-H232 PolarHBondContact OG-ND1 2.99Å; T229-H232 PolarHBondContact O-N 2.99Å; E230-H232 VanDerWaalsContact C-N 3.35Å; E230-H232 PolarHBondContact O-N 3.4Å; H232-K235 WeakPolarHBondContact O-CB 3.31Å; H232-K235 PolarHBondContact O-N 3.46Å; H232-H236 PolarHBondContact O-CD2 3.25Å; H232-H236 PolarHBondContact O-N 2.96Å
233	Y	96.3	Very high	95.4	Very high	11 Å²	11	36.5 Å²	36.5	4%	0.043	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-46.9	179.6	175.6	-122.6	0	0	0	112.3	T229 E230 K235 H236 L237 I270 Q274 Y309 P357 K360	T229-Y233 VanDerWaalsContact O-CB 3.27Å; T229-Y233 WeakPolarHBondContact O-CB 3.44Å; T229-Y233 PolarHBondContact O-N 3.49Å; E230-Y233 PolarHBondContact O-N 3.25Å; Y233-K235 VanDerWaalsContact C-N 3.26Å; Y233-K235 PolarHBondContact O-N 3.01Å; Y233-H236 WeakPolarHBondContact O-CB 3.44Å; Y233-H236 PolarHBondContact O-N 2.88Å; Y233-L237 HydrophobicContact CD1-CD1 4.24Å; Y233-L237 HydrophobicContact CD2-CG 4.38Å; Y233-L237 HydrophobicContact CE1-CD1 3.7Å; Y233-L237 HydrophobicContact CE1-CG 4.34Å; Y233-L237 HydrophobicContact CE2-CD1 4.19Å; Y233-L237 HydrophobicContact CE2-CD2 3.97Å; Y233-L237 HydrophobicContact CE2-CG 3.94Å; Y233-L237 PolarHBondContact O-N 3.34Å; Y233-I270 WeakPolarHBondContact OH-CG2 3.42Å; Y233-Q274 HydrophobicContact CD1-CG 3.97Å; Y233-Q274 HydrophobicContact CE1-CG 3.96Å; Y233-Y309 WeakPolarHBondContact CE1-OH 3.42Å; Y233-Y309 WeakPolarHBondContact OH-CE1 3.46Å; Y233-Y309 PolarHBondContact OH-OH 2.92Å; Y233-P357 HydrophobicContact CE2-CG 4.38Å; Y233-P357 WeakPolarHBondContact OH-CA 3.45Å; Y233-P357 WeakPolarHBondContact OH-CB 3.4Å; Y233-K360 HydrophobicContact CD1-CB 4.42Å; Y233-K360 HydrophobicContact CD1-CD 4.35Å; Y233-K360 HydrophobicContact CD1-CG 3.7Å; Y233-K360 HydrophobicContact CD2-CB 4.18Å; Y233-K360 HydrophobicContact CD2-CG 4.25Å; Y233-K360 HydrophobicContact CE1-CB 4.13Å; Y233-K360 HydrophobicContact CE1-CG 3.68Å; Y233-K360 HydrophobicContact CE2-CB 3.9Å; Y233-K360 HydrophobicContact CE2-CG 4.24Å; Y233-K360 HydrophobicContact CG-CB 4.43Å; Y233-K360 HydrophobicContact CG-CD 4.36Å; Y233-K360 HydrophobicContact CG-CG 3.99Å
234	I	97.3	Very high	95.4	Very high	32 Å²	32	36.6 Å²	36.6	16%	0.164	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-32.9	176.1	-166.8	172	0	0	0	112.2	E230 R231 L237 K238 Y271 Q274 M275 V278	E230-I234 WeakPolarHBondContact O-CG2 3.47Å; E230-I234 PolarHBondContact O-N 3.13Å; R231-I234 VanDerWaalsContact O-CG2 3.24Å; R231-I234 WeakPolarHBondContact O-CG2 3.22Å; I234-L237 PolarHBondContact O-N 3.34Å; I234-K238 WeakPolarHBondContact O-CB 3.27Å; I234-K238 PolarHBondContact O-N 3.11Å; I234-Y271 HydrophobicContact CD1-CE2 4.47Å; I234-Y271 HydrophobicContact CG1-CD2 4.17Å; I234-Y271 HydrophobicContact CG1-CE2 3.76Å; I234-Q274 HydrophobicContact CB-CG 4.13Å; I234-Q274 HydrophobicContact CD1-CG 4.45Å; I234-Q274 HydrophobicContact CG1-CG 4.24Å; I234-M275 HydrophobicContact CD1-CB 4.33Å; I234-M275 HydrophobicContact CD1-CG 3.84Å; I234-V278 HydrophobicContact CB-CG2 4.47Å; I234-V278 HydrophobicContact CD1-CB 4.24Å; I234-V278 HydrophobicContact CD1-CG2 4.19Å
235	K	94.4	Very high	95.5	Very high	103 Å²	103	34.1 Å²	34.1	45%	0.448	16%	0.162	S	C	.	.	H	α-helix	trans	-63	-44.9	171.1	-176.2	-174.6	-179.8	-64	0	111	R231 H232 Y233 K238 D239	R231-K235 WeakPolarHBondContact O-CB 3.44Å; R231-K235 PolarHBondContact O-N 3.01Å; H232-K235 WeakPolarHBondContact O-CB 3.31Å; H232-K235 PolarHBondContact O-N 3.46Å; Y233-K235 VanDerWaalsContact C-N 3.26Å; Y233-K235 PolarHBondContact O-N 3.01Å; K235-K238 WeakPolarHBondContact O-CB 3.28Å; K235-K238 PolarHBondContact O-N 3.42Å; K235-D239 IonicContact NZ-OD2 3.27Å; K235-D239 PolarHBondContact NZ-OD2 3.32Å; K235-D239 WeakPolarHBondContact O-CB 3.47Å; K235-D239 VanDerWaalsContact O-CG 3.26Å; K235-D239 PolarHBondContact O-N 3.34Å
236	H	93.9	Very high	95.6	Very high	44 Å²	44	36.8 Å²	36.8	20%	0.204	17%	0.17	C	C	.	.	H	α-helix	trans	-60.8	-44.7	175.8	-63.8	-31.4	0	0	0	112	H232 Y233 K238 D239 I240 F353	H232-H236 PolarHBondContact O-CD2 3.25Å; H232-H236 PolarHBondContact O-N 2.96Å; Y233-H236 WeakPolarHBondContact O-CB 3.44Å; Y233-H236 PolarHBondContact O-N 2.88Å; H236-K238 VanDerWaalsContact C-N 3.32Å; H236-K238 PolarHBondContact O-N 2.96Å; H236-D239 PolarHBondContact O-N 3.42Å; H236-I240 VanDerWaalsContact O-CG1 3.24Å; H236-I240 WeakPolarHBondContact O-CG1 3.5Å; H236-I240 PolarHBondContact O-N 2.96Å; H236-F353 HydrophobicContact CB-CD1 4.38Å; H236-F353 HydrophobicContact CB-CE1 4.47Å; H236-F353 AromaticContact ND1-CE1 3.77Å
237	L	97.8	Very high	95.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-43.1	175.5	-68.1	178.5	0	0	0	112.2	Y233 I234 I240 C241 I267 I270 Y271 Q274 P357	Y233-L237 HydrophobicContact CD1-CD1 4.24Å; Y233-L237 HydrophobicContact CD2-CG 4.38Å; Y233-L237 HydrophobicContact CE1-CD1 3.7Å; Y233-L237 HydrophobicContact CE1-CG 4.34Å; Y233-L237 HydrophobicContact CE2-CD1 4.19Å; Y233-L237 HydrophobicContact CE2-CD2 3.97Å; Y233-L237 HydrophobicContact CE2-CG 3.94Å; Y233-L237 PolarHBondContact O-N 3.34Å; I234-L237 PolarHBondContact O-N 3.34Å; L237-I240 PolarHBondContact O-N 2.91Å; L237-C241 PolarHBondContact O-N 3.08Å; L237-C241 PolarHBondContact O-SG 2.91Å; L237-I267 HydrophobicContact CD2-CD1 3.54Å; L237-I267 HydrophobicContact CD2-CG1 4.29Å; L237-I270 HydrophobicContact CD1-CG2 3.96Å; L237-I270 HydrophobicContact CD2-CG2 4.17Å; L237-Y271 HydrophobicContact CB-CD2 3.62Å; L237-Y271 HydrophobicContact CB-CE2 4.44Å; L237-Y271 HydrophobicContact CB-CG 4.16Å; L237-Y271 HydrophobicContact CD1-CD2 4.39Å; L237-Q274 HydrophobicContact CD1-CB 3.75Å; L237-Q274 HydrophobicContact CD1-CG 3.84Å; L237-P357 HydrophobicContact CD2-CG 4.1Å
238	K	96.8	Very high	95.7	Very high	89 Å²	89	39.6 Å²	39.6	39%	0.387	18%	0.183	S	C	.	.	H	α-helix	trans	-59.9	-49.3	174.2	-177.2	-179.2	175.8	-179.3	0	111.1	I234 K235 H236 I240 C241 E242 Y271	I234-K238 WeakPolarHBondContact O-CB 3.27Å; I234-K238 PolarHBondContact O-N 3.11Å; K235-K238 WeakPolarHBondContact O-CB 3.28Å; K235-K238 PolarHBondContact O-N 3.42Å; H236-K238 VanDerWaalsContact C-N 3.32Å; H236-K238 PolarHBondContact O-N 2.96Å; K238-I240 VanDerWaalsContact C-N 3.27Å; K238-I240 PolarHBondContact O-N 3.1Å; K238-C241 PolarHBondContact O-N 3Å; K238-E242 WeakPolarHBondContact CE-OE2 3.33Å; K238-E242 HydrophobicContact CG-CG 3.98Å; K238-E242 IonicContact NZ-OE2 3.55Å; K238-E242 WeakPolarHBondContact O-CB 3.43Å; K238-E242 VanDerWaalsContact O-CG 3.32Å; K238-E242 WeakPolarHBondContact O-CG 3.37Å; K238-E242 PolarHBondContact O-N 3.45Å; K238-Y271 HydrophobicContact CB-CE2 3.9Å
239	D	95	Very high	95.9	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.053	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-35.2	-179.8	-68.6	-24.8	0	0	0	111.8	K235 H236 G243 Q343 M345	K235-D239 IonicContact NZ-OD2 3.27Å; K235-D239 PolarHBondContact NZ-OD2 3.32Å; K235-D239 WeakPolarHBondContact O-CB 3.47Å; K235-D239 VanDerWaalsContact O-CG 3.26Å; K235-D239 PolarHBondContact O-N 3.34Å; H236-D239 PolarHBondContact O-N 3.42Å; D239-G243 WeakPolarHBondContact O-CA 3.5Å; D239-G243 PolarHBondContact O-N 3.47Å; D239-Q343 HydrophobicContact CB-CG 3.86Å; D239-Q343 WeakPolarHBondContact OD1-CG 3.26Å; D239-Q343 PolarHBondContact OD1-NE2 3.11Å; D239-M345 HydrophobicContact CB-CG 4.02Å; D239-M345 HydrophobicContact CB-SD 3.98Å
240	I	97.4	Very high	96.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-65.5	-51.3	173	-65.6	161.5	0	0	0	111.2	H236 L237 K238 Y244 L245 F264 I267 F353 L354	H236-I240 VanDerWaalsContact O-CG1 3.24Å; H236-I240 WeakPolarHBondContact O-CG1 3.5Å; H236-I240 PolarHBondContact O-N 2.96Å; L237-I240 PolarHBondContact O-N 2.91Å; K238-I240 VanDerWaalsContact C-N 3.27Å; K238-I240 PolarHBondContact O-N 3.1Å; I240-Y244 WeakPolarHBondContact O-CB 3.44Å; I240-Y244 PolarHBondContact O-N 3.23Å; I240-Y244 VanDerWaalsContact O-N 3.09Å; I240-L245 PolarHBondContact O-N 3.4Å; I240-F264 HydrophobicContact CG2-CD1 4.3Å; I240-F264 HydrophobicContact CG2-CE1 4.37Å; I240-I267 HydrophobicContact CG2-CG1 4.13Å; I240-F353 HydrophobicContact CD1-CB 3.95Å; I240-F353 HydrophobicContact CD1-CD1 4.47Å; I240-F353 WeakPolarHBondContact CD1-O 3.37Å; I240-F353 HydrophobicContact CG1-CB 3.95Å; I240-F353 HydrophobicContact CG1-CD1 4.35Å; I240-F353 HydrophobicContact CG1-CG 4.46Å; I240-L354 HydrophobicContact CG2-CD2 4.01Å
241	C	97.7	Very high	96	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.061	22%	0.224	C	C	.	.	I	π-helix	trans	-66.7	-43.8	-176.4	-64.9	0	0	0	0	111.9	L237 K238 R246 Y271	L237-C241 PolarHBondContact O-N 3.08Å; L237-C241 PolarHBondContact O-SG 2.91Å; K238-C241 PolarHBondContact O-N 3Å; C241-R246 WeakPolarHBondContact O-CB 3.44Å; C241-R246 PolarHBondContact O-N 3.38Å; C241-Y271 HydrophobicContact CB-CD1 4.39Å
242	E	95.3	Very high	95.9	Very high	48 Å²	48	53.2 Å²	53.2	22%	0.224	24%	0.239	C	C	.	.	I	π-helix	trans	-86.2	-37.5	-175.4	-58.3	-154.2	124.3	0	0	113.6	K238 R246	K238-E242 WeakPolarHBondContact CE-OE2 3.33Å; K238-E242 HydrophobicContact CG-CG 3.98Å; K238-E242 IonicContact NZ-OE2 3.55Å; K238-E242 WeakPolarHBondContact O-CB 3.43Å; K238-E242 VanDerWaalsContact O-CG 3.32Å; K238-E242 WeakPolarHBondContact O-CG 3.37Å; K238-E242 PolarHBondContact O-N 3.45Å; E242-R246 WeakPolarHBondContact O-CB 3.27Å; E242-R246 IonicContact OE1-CZ 3.4Å; E242-R246 IonicContact OE1-NH1 3.15Å; E242-R246 PolarHBondContact OE1-NH1 2.71Å; E242-R246 VanDerWaalsContact OE1-NH1 3.15Å; E242-R246 IonicContact OE1-NH2 2.76Å; E242-R246 PolarHBondContact OE1-NH2 3.14Å
243	G	94.7	Very high	96.2	Very high	4 Å²	4	53.3 Å²	53.3	4%	0.041	24%	0.243	C	C	.	.	I	π-helix	trans	-86	-41.6	-175.1	0	0	0	0	0	113	D239 Q247 C339	D239-G243 WeakPolarHBondContact O-CA 3.5Å; D239-G243 PolarHBondContact O-N 3.47Å; G243-Q247 WeakPolarHBondContact O-CG 3.32Å; G243-C339 WeakPolarHBondContact O-CB 3.36Å
244	Y	97.2	Very high	96.2	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.008	25%	0.245	C	C	.	.	I	π-helix	trans	-100.2	-66.5	179.6	-66.9	-65	0	0	0	112.3	I240 R246 Q247 C248 F336 C339 R340 M345 I350 F353	I240-Y244 WeakPolarHBondContact O-CB 3.44Å; I240-Y244 PolarHBondContact O-N 3.23Å; I240-Y244 VanDerWaalsContact O-N 3.09Å; Y244-R246 PolarHBondContact O-N 2.66Å; Y244-Q247 PolarHBondContact O-N 3.42Å; Y244-C248 PolarHBondContact O-N 2.94Å; Y244-C248 PolarHBondContact O-SG 2.9Å; Y244-F336 AromaticContact CD1-CD1 3.83Å; Y244-F336 HydrophobicContact CD1-CD1 3.83Å; Y244-F336 HydrophobicContact CD1-CE1 4.49Å; Y244-F336 HydrophobicContact CE1-CB 4.26Å; Y244-F336 HydrophobicContact CE1-CD1 4.07Å; Y244-F336 WeakPolarHBondContact CE1-O 3.42Å; Y244-C339 HydrophobicContact CD1-CB 3.57Å; Y244-C339 HydrophobicContact CE1-CB 3.65Å; Y244-R340 WeakPolarHBondContact OH-CB 3.47Å; Y244-M345 HydrophobicContact CD2-CE 3.89Å; Y244-M345 HydrophobicContact CD2-SD 4.26Å; Y244-M345 HydrophobicContact CE1-CE 4.3Å; Y244-M345 HydrophobicContact CE2-CE 3.39Å; Y244-M345 HydrophobicContact CE2-SD 3.51Å; Y244-M345 VanDerWaalsContact CE2-SD 3.51Å; Y244-I350 HydrophobicContact CD1-CD1 3.8Å; Y244-I350 HydrophobicContact CD1-CG1 4.33Å; Y244-I350 HydrophobicContact CD2-CD1 4.17Å; Y244-I350 HydrophobicContact CD2-CG1 4.07Å; Y244-I350 HydrophobicContact CE1-CB 4.2Å; Y244-I350 HydrophobicContact CE1-CD1 4.19Å; Y244-I350 HydrophobicContact CE1-CG1 4.34Å; Y244-I350 HydrophobicContact CE2-CB 4.28Å; Y244-I350 HydrophobicContact CE2-CG1 4.09Å; Y244-I350 HydrophobicContact CG-CD1 3.78Å; Y244-I350 HydrophobicContact CG-CG1 4.19Å; Y244-F353 HydrophobicContact CE2-CD2 4.48Å
245	L	97.4	Very high	96.1	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	24%	0.239	C	C	.	.	I	π-helix	trans	-59	-45.4	-168.6	175.9	61	0	0	0	112.3	I240 Q247 C248 R249 F264 I267 E268	I240-L245 PolarHBondContact O-N 3.4Å; L245-Q247 VanDerWaalsContact C-N 3.29Å; L245-Q247 PolarHBondContact O-N 3.35Å; L245-C248 PolarHBondContact O-N 3.06Å; L245-R249 HydrophobicContact CD1-CG 4.35Å; L245-R249 WeakPolarHBondContact O-CG 3.42Å; L245-R249 PolarHBondContact O-N 2.88Å; L245-F264 HydrophobicContact CB-CD1 4.19Å; L245-F264 HydrophobicContact CB-CE1 4.21Å; L245-F264 HydrophobicContact CB-CG 4.38Å; L245-F264 HydrophobicContact CB-CZ 4.41Å; L245-F264 HydrophobicContact CD1-CB 4.1Å; L245-F264 HydrophobicContact CD1-CD1 4.43Å; L245-F264 HydrophobicContact CD1-CD2 3.56Å; L245-F264 HydrophobicContact CD1-CE2 4.04Å; L245-F264 HydrophobicContact CD1-CG 3.78Å; L245-I267 HydrophobicContact CD2-CG2 4.29Å; L245-E268 VanDerWaalsContact CD2-CD 3.46Å; L245-E268 HydrophobicContact CD2-CG 3.41Å; L245-E268 VanDerWaalsContact CD2-CG 3.41Å; L245-E268 WeakPolarHBondContact CD2-OE1 3.38Å
246	R	96.5	Very high	96.2	Very high	115 Å²	115	51.4 Å²	51.4	43%	0.434	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-36.4	176.2	-174.3	-175.5	-69.4	162.5	-1.6	112.7	C241 E242 Y244 K250	C241-R246 WeakPolarHBondContact O-CB 3.44Å; C241-R246 PolarHBondContact O-N 3.38Å; E242-R246 WeakPolarHBondContact O-CB 3.27Å; E242-R246 IonicContact OE1-CZ 3.4Å; E242-R246 IonicContact OE1-NH1 3.15Å; E242-R246 PolarHBondContact OE1-NH1 2.71Å; E242-R246 VanDerWaalsContact OE1-NH1 3.15Å; E242-R246 IonicContact OE1-NH2 2.76Å; E242-R246 PolarHBondContact OE1-NH2 3.14Å; Y244-R246 PolarHBondContact O-N 2.66Å; R246-K250 WeakPolarHBondContact O-CG 3.49Å; R246-K250 PolarHBondContact O-N 3.46Å
247	Q	96.8	Very high	96.2	Very high	62 Å²	62	55.5 Å²	55.5	29%	0.29	26%	0.262	S	S	.	.	H	α-helix	trans	-76.8	-38.4	178	-57	-57.4	-28	0	0	111.5	G243 Y244 L245 R249 K250 R251 F335	G243-Q247 WeakPolarHBondContact O-CG 3.32Å; Y244-Q247 PolarHBondContact O-N 3.42Å; L245-Q247 VanDerWaalsContact C-N 3.29Å; L245-Q247 PolarHBondContact O-N 3.35Å; Q247-R249 VanDerWaalsContact C-N 3.34Å; Q247-R249 PolarHBondContact O-N 3.24Å; Q247-K250 WeakPolarHBondContact O-CB 3.47Å; Q247-K250 PolarHBondContact O-N 3.47Å; Q247-K250 VanDerWaalsContact O-N 3.13Å; Q247-R251 PolarHBondContact O-N 2.74Å; Q247-F335 HydrophobicContact CB-CE2 4.49Å; Q247-F335 HydrophobicContact CB-CZ 3.89Å
248	C	97.2	Very high	96	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-44.1	176.1	-58.2	0	0	0	0	110.9	Y244 L245 K250 R251 F255 L260 F264	Y244-C248 PolarHBondContact O-N 2.94Å; Y244-C248 PolarHBondContact O-SG 2.9Å; L245-C248 PolarHBondContact O-N 3.06Å; C248-K250 PolarHBondContact O-N 2.99Å; C248-R251 CarbonylContact O-C 3.53Å; C248-R251 PolarHBondContact O-N 3.43Å; C248-F255 HydrophobicContact CB-CD2 3.78Å; C248-F255 HydrophobicContact CB-CE2 3.98Å; C248-F255 HydrophobicContact CB-CG 4.08Å; C248-F255 HydrophobicContact CB-CZ 4.41Å; C248-L260 HydrophobicContact CB-CD2 3.43Å; C248-L260 VanDerWaalsContact CB-CD2 3.43Å; C248-F264 HydrophobicContact CB-CE2 4.24Å
249	R	96.8	Very high	95.8	Very high	122 Å²	122	58.7 Å²	58.7	46%	0.46	28%	0.282	S	S	.	.	H	α-helix	trans	-59.5	-28.5	174.6	-76.2	177.5	175.1	158.5	-0.1	114	L245 Q247 L260 E268	L245-R249 HydrophobicContact CD1-CG 4.35Å; L245-R249 WeakPolarHBondContact O-CG 3.42Å; L245-R249 PolarHBondContact O-N 2.88Å; Q247-R249 VanDerWaalsContact C-N 3.34Å; Q247-R249 PolarHBondContact O-N 3.24Å; R249-L260 HydrophobicContact CG-CD1 3.7Å; R249-E268 IonicContact CZ-OE1 2.86Å; R249-E268 IonicContact CZ-OE2 3.88Å; R249-E268 VanDerWaalsContact NH1-CD 3.27Å; R249-E268 IonicContact NH1-OE1 2.69Å; R249-E268 PolarHBondContact NH1-OE1 2.92Å; R249-E268 IonicContact NH1-OE2 3.1Å; R249-E268 PolarHBondContact NH1-OE2 3.25Å; R249-E268 VanDerWaalsContact NH1-OE2 3.17Å; R249-E268 IonicContact NH2-OE1 3.28Å; R249-E268 IonicContact NH2-OE2 2.79Å; R249-E268 PolarHBondContact NH2-OE2 3.1Å
250	K	96.4	Very high	95.9	Very high	135 Å²	135	58.8 Å²	58.8	59%	0.587	28%	0.282	S	S	*	.	H	α-helix	trans	-77.2	-25.2	175.5	-71.2	174.1	-178	177.1	0	112.7	R246 Q247 C248 V252	R246-K250 WeakPolarHBondContact O-CG 3.49Å; R246-K250 PolarHBondContact O-N 3.46Å; Q247-K250 WeakPolarHBondContact O-CB 3.47Å; Q247-K250 PolarHBondContact O-N 3.47Å; Q247-K250 VanDerWaalsContact O-N 3.13Å; C248-K250 PolarHBondContact O-N 2.99Å; K250-V252 PolarHBondContact O-N 3.19Å
251	R	95.6	Very high	95.8	Very high	103 Å²	103	66 Å²	66	39%	0.389	31%	0.314	S	S	.	.			trans	-98.7	63.8	-178.4	-66.5	-58.7	-60.6	-105.9	-1.7	110.9	Q247 C248 D253 M254 F255 F335	Q247-R251 PolarHBondContact O-N 2.74Å; C248-R251 CarbonylContact O-C 3.53Å; C248-R251 PolarHBondContact O-N 3.43Å; R251-D253 WeakPolarHBondContact CA-OD1 3.35Å; R251-D253 IonicContact CZ-OD1 3.89Å; R251-D253 IonicContact CZ-OD2 3.48Å; R251-D253 IonicContact NE-OD1 3.89Å; R251-D253 PolarHBondContact NE-OD1 3.35Å; R251-D253 IonicContact NE-OD2 3.97Å; R251-D253 PolarHBondContact NE-OD2 3.4Å; R251-D253 IonicContact NH2-OD1 2.89Å; R251-D253 IonicContact NH2-OD2 2.57Å; R251-D253 PolarHBondContact NH2-OD2 3.5Å; R251-D253 PolarHBondContact O-N 2.69Å; R251-D253 VanDerWaalsContact O-N 3.11Å; R251-M254 HydrophobicContact CB-CB 4.15Å; R251-M254 HydrophobicContact CB-CG 4.31Å; R251-M254 HydrophobicContact CB-SD 4.39Å; R251-M254 PolarHBondContact O-N 2.81Å; R251-F255 HydrophobicContact CB-CD2 4.2Å; R251-F255 PolarHBondContact O-N 2.87Å; R251-F335 HydrophobicContact CB-CE2 4.49Å; R251-F335 HydrophobicContact CG-CD2 4.49Å; R251-F335 HydrophobicContact CG-CE2 3.7Å; R251-F335 HydrophobicContact CG-CZ 4.24Å
252	V	94.1	Very high	95.7	Very high	119 Å²	119	67.9 Å²	67.9	72%	0.721	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.5	175.4	-62.5	0	0	0	0	113.2	K250 M254	K250-V252 PolarHBondContact O-N 3.19Å; V252-M254 VanDerWaalsContact C-N 3.32Å
253	D	95.6	Very high	95.7	Very high	106 Å²	106	65.6 Å²	65.6	57%	0.567	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.1	172.1	65.1	-56.7	0	0	0	113.4	R251	R251-D253 WeakPolarHBondContact CA-OD1 3.35Å; R251-D253 IonicContact CZ-OD1 3.89Å; R251-D253 IonicContact CZ-OD2 3.48Å; R251-D253 IonicContact NE-OD1 3.89Å; R251-D253 PolarHBondContact NE-OD1 3.35Å; R251-D253 IonicContact NE-OD2 3.97Å; R251-D253 PolarHBondContact NE-OD2 3.4Å; R251-D253 IonicContact NH2-OD1 2.89Å; R251-D253 IonicContact NH2-OD2 2.57Å; R251-D253 PolarHBondContact NH2-OD2 3.5Å; R251-D253 PolarHBondContact O-N 2.69Å; R251-D253 VanDerWaalsContact O-N 3.11Å
254	M	95.9	Very high	95.8	Very high	18 Å²	18	65.5 Å²	65.5	9%	0.089	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-33.7	-179.4	-63.4	-176	63.3	0	0	112.9	R251 V252 R331 Y332 F335	R251-M254 HydrophobicContact CB-CB 4.15Å; R251-M254 HydrophobicContact CB-CG 4.31Å; R251-M254 HydrophobicContact CB-SD 4.39Å; R251-M254 PolarHBondContact O-N 2.81Å; V252-M254 VanDerWaalsContact C-N 3.32Å; M254-R331 HydrophobicContact CE-CB 4.41Å; M254-Y332 HydrophobicContact CB-CE1 4.14Å; M254-Y332 HydrophobicContact CE-CD1 3.85Å; M254-Y332 HydrophobicContact CE-CE1 3.95Å; M254-Y332 HydrophobicContact CE-CG 4.2Å; M254-Y332 PolarHBondContact O-OH 3.4Å; M254-F335 HydrophobicContact CE-CB 3.92Å; M254-F335 HydrophobicContact CE-CD2 4.46Å; M254-F335 HydrophobicContact CE-CG 4.1Å; M254-F335 HydrophobicContact SD-CD2 4.21Å; M254-F335 HydrophobicContact SD-CG 4.44Å
255	F	96.8	Very high	95.8	Very high	6 Å²	6	66.8 Å²	66.8	3%	0.026	33%	0.326	C	S	.	.			trans	-127	131.5	-176	-55.8	-85.5	0	0	0	110.5	C248 R251 L260 L326 Y332 F335 F336	C248-F255 HydrophobicContact CB-CD2 3.78Å; C248-F255 HydrophobicContact CB-CE2 3.98Å; C248-F255 HydrophobicContact CB-CG 4.08Å; C248-F255 HydrophobicContact CB-CZ 4.41Å; R251-F255 HydrophobicContact CB-CD2 4.2Å; R251-F255 PolarHBondContact O-N 2.87Å; F255-L260 HydrophobicContact CB-CD2 3.73Å; F255-L260 HydrophobicContact CB-CG 4.09Å; F255-L260 HydrophobicContact CD1-CD2 4.31Å; F255-L260 HydrophobicContact CG-CD2 4.09Å; F255-L326 HydrophobicContact CD1-CD1 4.43Å; F255-L326 HydrophobicContact CE1-CD1 3.99Å; F255-Y332 HydrophobicContact CD1-CE1 4.22Å; F255-Y332 AromaticContact CE1-CD1 3.76Å; F255-Y332 HydrophobicContact CE1-CD1 3.76Å; F255-Y332 AromaticContact CE1-CE1 3.7Å; F255-Y332 HydrophobicContact CE1-CE1 3.7Å; F255-Y332 HydrophobicContact CE2-CE1 4.43Å; F255-Y332 AromaticContact CZ-CD1 3.67Å; F255-Y332 HydrophobicContact CZ-CD1 3.67Å; F255-Y332 AromaticContact CZ-CE1 3.83Å; F255-Y332 HydrophobicContact CZ-CE1 3.83Å; F255-F335 AromaticContact CE2-CD1 3.88Å; F255-F335 HydrophobicContact CE2-CD1 3.88Å; F255-F335 AromaticContact CE2-CE1 3.5Å; F255-F335 HydrophobicContact CE2-CE1 3.5Å; F255-F335 VanDerWaalsContact CE2-CE1 3.5Å; F255-F335 AromaticContact CE2-CZ 3.93Å; F255-F335 HydrophobicContact CE2-CZ 3.93Å; F255-F335 AromaticContact CZ-CD1 3.83Å; F255-F335 HydrophobicContact CZ-CD1 3.83Å; F255-F335 AromaticContact CZ-CE1 3.73Å; F255-F335 HydrophobicContact CZ-CE1 3.73Å; F255-F336 HydrophobicContact CE1-CE1 4.38Å; F255-F336 AromaticContact CE1-CZ 3.81Å; F255-F336 HydrophobicContact CE1-CZ 3.81Å; F255-F336 HydrophobicContact CZ-CE1 4.03Å; F255-F336 AromaticContact CZ-CZ 3.79Å; F255-F336 HydrophobicContact CZ-CZ 3.79Å
256	N	94.9	Very high	95.8	Very high	82 Å²	82	66.9 Å²	66.9	44%	0.439	33%	0.327	S	S	.	.			trans	-95.1	165.3	166.6	66.2	50.1	0	0	0	111.3	D258 Q259 L260	N256-D258 VanDerWaalsContact C-N 3.28Å; N256-D258 PolarHBondContact O-N 3.24Å; N256-D258 PolarHBondContact OD1-N 3.3Å; N256-Q259 PolarHBondContact ND2-OE1 3.42Å; N256-Q259 PolarHBondContact O-N 3.47Å; N256-Q259 WeakPolarHBondContact OD1-CG 3.48Å; N256-Q259 PolarHBondContact OD1-N 2.97Å; N256-L260 WeakPolarHBondContact O-CG 3.39Å; N256-L260 PolarHBondContact O-N 3.22Å
257	D	94.4	Very high	95.9	Very high	130 Å²	130	61.5 Å²	61.5	70%	0.695	31%	0.307	S	S	*	.	H	α-helix	trans	-61.4	-35	-175.7	-68.2	-32.8	0	0	0	113.1	L260 K261	D257-L260 PolarHBondContact O-N 2.98Å; D257-K261 WeakPolarHBondContact O-CB 3.44Å; D257-K261 PolarHBondContact O-N 3.48Å
258	D	93	Very high	95.9	Very high	124 Å²	124	61 Å²	61	66%	0.663	31%	0.305	S	S	*	.	H	α-helix	trans	-65.5	-43.1	177.1	-67.4	-31.5	0	0	0	111.4	N256 L260 K261 V262	N256-D258 VanDerWaalsContact C-N 3.28Å; N256-D258 PolarHBondContact O-N 3.24Å; N256-D258 PolarHBondContact OD1-N 3.3Å; D258-L260 VanDerWaalsContact C-N 3.35Å; D258-K261 PolarHBondContact O-N 3.48Å; D258-V262 VanDerWaalsContact O-CG2 3.31Å; D258-V262 WeakPolarHBondContact O-CG2 3.42Å; D258-V262 PolarHBondContact O-N 3.19Å
259	Q	94.3	Very high	96	Very high	32 Å²	32	64.5 Å²	64.5	15%	0.15	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-41.8	175.1	-74.2	178.2	-52	0	0	111.5	N256 K261 V262 I263 E322	N256-Q259 PolarHBondContact ND2-OE1 3.42Å; N256-Q259 PolarHBondContact O-N 3.47Å; N256-Q259 WeakPolarHBondContact OD1-CG 3.48Å; N256-Q259 PolarHBondContact OD1-N 2.97Å; Q259-K261 VanDerWaalsContact C-N 3.32Å; Q259-K261 PolarHBondContact O-N 3.36Å; Q259-V262 PolarHBondContact O-N 2.95Å; Q259-I263 WeakPolarHBondContact O-CB 3.38Å; Q259-I263 WeakPolarHBondContact O-CD1 3.31Å; Q259-I263 WeakPolarHBondContact O-CG1 3.49Å; Q259-I263 PolarHBondContact O-N 2.93Å; Q259-E322 PolarHBondContact NE2-OE1 3.18Å
260	L	96.6	Very high	96.1	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.063	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-42.6	176.5	-64.4	-179.9	0	0	0	111.2	C248 R249 F255 N256 D257 D258 F264	C248-L260 HydrophobicContact CB-CD2 3.43Å; C248-L260 VanDerWaalsContact CB-CD2 3.43Å; R249-L260 HydrophobicContact CG-CD1 3.7Å; F255-L260 HydrophobicContact CB-CD2 3.73Å; F255-L260 HydrophobicContact CB-CG 4.09Å; F255-L260 HydrophobicContact CD1-CD2 4.31Å; F255-L260 HydrophobicContact CG-CD2 4.09Å; N256-L260 WeakPolarHBondContact O-CG 3.39Å; N256-L260 PolarHBondContact O-N 3.22Å; D257-L260 PolarHBondContact O-N 2.98Å; D258-L260 VanDerWaalsContact C-N 3.35Å; L260-F264 HydrophobicContact CD2-CD2 4.23Å; L260-F264 HydrophobicContact CD2-CE2 4.02Å; L260-F264 WeakPolarHBondContact O-CB 3.35Å; L260-F264 PolarHBondContact O-N 3.29Å
261	K	95.3	Very high	96.2	Very high	151 Å²	151	54.4 Å²	54.4	66%	0.657	28%	0.282	S	S	*	.	H	α-helix	trans	-63	-43.3	176.4	-172.9	176.1	-179.6	179	0	111.8	D257 D258 Q259 G265	D257-K261 WeakPolarHBondContact O-CB 3.44Å; D257-K261 PolarHBondContact O-N 3.48Å; D258-K261 PolarHBondContact O-N 3.48Å; Q259-K261 VanDerWaalsContact C-N 3.32Å; Q259-K261 PolarHBondContact O-N 3.36Å; K261-G265 WeakPolarHBondContact O-CA 3.38Å; K261-G265 PolarHBondContact O-N 2.91Å
262	V	94.2	Very high	96.3	Very high	49 Å²	49	56.6 Å²	56.6	30%	0.297	29%	0.29	S	S	.	.	H	α-helix	trans	-66.1	-46.5	177.6	170.9	0	0	0	0	111.4	D258 Q259 N315 D318 A319 E322	D258-V262 VanDerWaalsContact O-CG2 3.31Å; D258-V262 WeakPolarHBondContact O-CG2 3.42Å; D258-V262 PolarHBondContact O-N 3.19Å; Q259-V262 PolarHBondContact O-N 2.95Å; V262-N315 PolarHBondContact O-ND2 3.05Å; V262-D318 HydrophobicContact CG1-CB 4.18Å; V262-A319 VanDerWaalsContact O-CB 3.31Å; V262-A319 WeakPolarHBondContact O-CB 3.33Å; V262-E322 HydrophobicContact CG1-CB 3.97Å
263	I	96.3	Very high	96.5	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-72.3	-45	-174.4	-66	165.3	0	0	0	111.8	Q259 A319 E322 L323 L326 L354	Q259-I263 WeakPolarHBondContact O-CB 3.38Å; Q259-I263 WeakPolarHBondContact O-CD1 3.31Å; Q259-I263 WeakPolarHBondContact O-CG1 3.49Å; Q259-I263 PolarHBondContact O-N 2.93Å; I263-A319 WeakPolarHBondContact O-CB 3.4Å; I263-E322 HydrophobicContact CD1-CG 4.16Å; I263-E322 HydrophobicContact CG1-CB 4.23Å; I263-E322 HydrophobicContact CG1-CG 4.04Å; I263-L323 HydrophobicContact CD1-CD2 4.35Å; I263-L323 HydrophobicContact CG1-CD2 4.44Å; I263-L323 HydrophobicContact CG1-CG 4.38Å; I263-L323 HydrophobicContact CG2-CD1 4.18Å; I263-L323 HydrophobicContact CG2-CD2 3.83Å; I263-L323 HydrophobicContact CG2-CG 3.96Å; I263-L326 HydrophobicContact CD1-CD1 3.58Å; I263-L354 HydrophobicContact CG2-CD1 4.1Å
264	F	97.6	Very high	96.7	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-102	-18.1	-171.1	-64.1	-78	0	0	0	113.7	I240 L245 C248 L260 N266 I267 I350 L354	I240-F264 HydrophobicContact CG2-CD1 4.3Å; I240-F264 HydrophobicContact CG2-CE1 4.37Å; L245-F264 HydrophobicContact CB-CD1 4.19Å; L245-F264 HydrophobicContact CB-CE1 4.21Å; L245-F264 HydrophobicContact CB-CG 4.38Å; L245-F264 HydrophobicContact CB-CZ 4.41Å; L245-F264 HydrophobicContact CD1-CB 4.1Å; L245-F264 HydrophobicContact CD1-CD1 4.43Å; L245-F264 HydrophobicContact CD1-CD2 3.56Å; L245-F264 HydrophobicContact CD1-CE2 4.04Å; L245-F264 HydrophobicContact CD1-CG 3.78Å; C248-F264 HydrophobicContact CB-CE2 4.24Å; L260-F264 HydrophobicContact CD2-CD2 4.23Å; L260-F264 HydrophobicContact CD2-CE2 4.02Å; L260-F264 WeakPolarHBondContact O-CB 3.35Å; L260-F264 PolarHBondContact O-N 3.29Å; F264-N266 PolarHBondContact O-N 3.2Å; F264-I267 HydrophobicContact CB-CG2 3.9Å; F264-I267 HydrophobicContact CD1-CG2 4.44Å; F264-I267 VanDerWaalsContact O-CB 3.24Å; F264-I267 WeakPolarHBondContact O-CB 3.44Å; F264-I267 VanDerWaalsContact O-CG2 3.29Å; F264-I267 WeakPolarHBondContact O-CG2 3.4Å; F264-I267 PolarHBondContact O-N 3.07Å; F264-I267 VanDerWaalsContact O-N 3.14Å; F264-I350 HydrophobicContact CE1-CD1 4.11Å; F264-I350 HydrophobicContact CZ-CD1 4.05Å; F264-L354 HydrophobicContact CD1-CD2 4.05Å; F264-L354 HydrophobicContact CE1-CD2 4.44Å
265	G	96.3	Very high	96.8	Very high	28 Å²	28	50.2 Å²	50.2	29%	0.289	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-135.3	-179	0	0	0	0	0	112.4	K261	K261-G265 WeakPolarHBondContact O-CA 3.38Å; K261-G265 PolarHBondContact O-N 2.91Å
266	N	97.4	Very high	96.8	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.043	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	28.8	176.9	68.7	-15.2	0	0	0	113.3	F264 E268 D269 I270 I308 E311 Y312	F264-N266 PolarHBondContact O-N 3.2Å; N266-E268 PolarHBondContact O-N 3.42Å; N266-E268 VanDerWaalsContact O-N 3.15Å; N266-D269 HydrophobicContact CB-CB 4.47Å; N266-D269 PolarHBondContact O-N 2.78Å; N266-I270 PolarHBondContact O-N 3.4Å; N266-I270 VanDerWaalsContact O-N 3.14Å; N266-I308 PolarHBondContact ND2-O 3.35Å; N266-E311 PolarHBondContact ND2-OE2 3.17Å; N266-Y312 WeakPolarHBondContact OD1-CB 3.35Å; N266-Y312 WeakPolarHBondContact OD1-CD2 3.47Å
267	I	98.3	Very high	97	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-57.7	-31.3	-176.9	-165.6	61.4	0	0	0	113.9	L237 I240 L245 F264 D269 I270 Y271 Y312 P357	L237-I267 HydrophobicContact CD2-CD1 3.54Å; L237-I267 HydrophobicContact CD2-CG1 4.29Å; I240-I267 HydrophobicContact CG2-CG1 4.13Å; L245-I267 HydrophobicContact CD2-CG2 4.29Å; F264-I267 HydrophobicContact CB-CG2 3.9Å; F264-I267 HydrophobicContact CD1-CG2 4.44Å; F264-I267 VanDerWaalsContact O-CB 3.24Å; F264-I267 WeakPolarHBondContact O-CB 3.44Å; F264-I267 VanDerWaalsContact O-CG2 3.29Å; F264-I267 WeakPolarHBondContact O-CG2 3.4Å; F264-I267 PolarHBondContact O-N 3.07Å; F264-I267 VanDerWaalsContact O-N 3.14Å; I267-D269 VanDerWaalsContact C-N 3.32Å; I267-I270 HydrophobicContact CD1-CD1 4.42Å; I267-I270 PolarHBondContact O-N 3.41Å; I267-Y271 PolarHBondContact O-N 3.19Å; I267-Y312 HydrophobicContact CB-CE2 3.96Å; I267-Y312 HydrophobicContact CD1-CD2 4.49Å; I267-Y312 HydrophobicContact CD1-CE2 3.76Å; I267-Y312 HydrophobicContact CG1-CE2 4.35Å; I267-P357 HydrophobicContact CD1-CG 3.56Å
268	E	98.1	Very high	97.2	Very high	53 Å²	53	41 Å²	41	25%	0.248	20%	0.204	C	C	.	.	H	α-helix	trans	-67.3	-34.3	176	-72.1	-169.9	140.3	0	0	112.1	L245 R249 N266 Y271 R272	L245-E268 VanDerWaalsContact CD2-CD 3.46Å; L245-E268 HydrophobicContact CD2-CG 3.41Å; L245-E268 VanDerWaalsContact CD2-CG 3.41Å; L245-E268 WeakPolarHBondContact CD2-OE1 3.38Å; R249-E268 IonicContact CZ-OE1 2.86Å; R249-E268 IonicContact CZ-OE2 3.88Å; R249-E268 VanDerWaalsContact NH1-CD 3.27Å; R249-E268 IonicContact NH1-OE1 2.69Å; R249-E268 PolarHBondContact NH1-OE1 2.92Å; R249-E268 IonicContact NH1-OE2 3.1Å; R249-E268 PolarHBondContact NH1-OE2 3.25Å; R249-E268 VanDerWaalsContact NH1-OE2 3.17Å; R249-E268 IonicContact NH2-OE1 3.28Å; R249-E268 IonicContact NH2-OE2 2.79Å; R249-E268 PolarHBondContact NH2-OE2 3.1Å; N266-E268 PolarHBondContact O-N 3.42Å; N266-E268 VanDerWaalsContact O-N 3.15Å; E268-Y271 PolarHBondContact O-N 3.21Å; E268-R272 VanDerWaalsContact O-CG 3.3Å; E268-R272 WeakPolarHBondContact O-CG 3.14Å; E268-R272 PolarHBondContact O-N 3.25Å
269	D	98.3	Very high	97.4	Very high	73 Å²	73	41.3 Å²	41.3	39%	0.39	20%	0.196	S	C	.	.	H	α-helix	trans	-74.1	-37.8	177.9	-63.4	-35.3	0	0	0	110.7	N266 I267 Y271 R272 F273	N266-D269 HydrophobicContact CB-CB 4.47Å; N266-D269 PolarHBondContact O-N 2.78Å; I267-D269 VanDerWaalsContact C-N 3.32Å; D269-Y271 VanDerWaalsContact C-N 3.31Å; D269-Y271 PolarHBondContact O-N 3.27Å; D269-R272 PolarHBondContact O-N 2.75Å; D269-R272 IonicContact OD1-CZ 3.96Å; D269-R272 IonicContact OD1-NH1 3.46Å; D269-R272 PolarHBondContact OD1-NH1 3.32Å; D269-F273 WeakPolarHBondContact O-CB 3.36Å; D269-F273 PolarHBondContact O-N 3.48Å
270	I	98.5	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-46.5	168.2	-65.6	178.3	0	0	0	110.5	Y233 L237 N266 I267 R272 F273 Q274 I308 Y309 Y312 P357	Y233-I270 WeakPolarHBondContact OH-CG2 3.42Å; L237-I270 HydrophobicContact CD1-CG2 3.96Å; L237-I270 HydrophobicContact CD2-CG2 4.17Å; N266-I270 PolarHBondContact O-N 3.4Å; N266-I270 VanDerWaalsContact O-N 3.14Å; I267-I270 HydrophobicContact CD1-CD1 4.42Å; I267-I270 PolarHBondContact O-N 3.41Å; I270-R272 PolarHBondContact O-N 2.81Å; I270-F273 PolarHBondContact O-N 2.9Å; I270-Q274 VanDerWaalsContact O-CB 3.23Å; I270-Q274 WeakPolarHBondContact O-CB 3.1Å; I270-Q274 PolarHBondContact O-N 2.83Å; I270-I308 HydrophobicContact CG1-CD1 4.07Å; I270-I308 HydrophobicContact CG1-CG1 4.04Å; I270-Y309 HydrophobicContact CD1-CD1 4.19Å; I270-Y309 HydrophobicContact CD1-CE1 4.29Å; I270-Y309 HydrophobicContact CD1-CG 4.48Å; I270-Y309 HydrophobicContact CG2-CE1 4.01Å; I270-Y309 HydrophobicContact CG2-CE2 4.17Å; I270-Y309 WeakPolarHBondContact CG2-OH 3.48Å; I270-Y312 HydrophobicContact CD1-CD1 4.21Å; I270-Y312 HydrophobicContact CD1-CD2 3.72Å; I270-Y312 HydrophobicContact CD1-CE2 4.46Å; I270-Y312 HydrophobicContact CD1-CG 3.57Å; I270-P357 HydrophobicContact CD1-CB 4.14Å
271	Y	98.6	Very high	97.7	Very high	44 Å²	44	40.3 Å²	40.3	17%	0.173	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-43.1	178.2	178.9	-132.5	0	0	0	112.6	I234 L237 K238 C241 I267 E268 D269 Q274 M275	I234-Y271 HydrophobicContact CD1-CE2 4.47Å; I234-Y271 HydrophobicContact CG1-CD2 4.17Å; I234-Y271 HydrophobicContact CG1-CE2 3.76Å; L237-Y271 HydrophobicContact CB-CD2 3.62Å; L237-Y271 HydrophobicContact CB-CE2 4.44Å; L237-Y271 HydrophobicContact CB-CG 4.16Å; L237-Y271 HydrophobicContact CD1-CD2 4.39Å; K238-Y271 HydrophobicContact CB-CE2 3.9Å; C241-Y271 HydrophobicContact CB-CD1 4.39Å; I267-Y271 PolarHBondContact O-N 3.19Å; E268-Y271 PolarHBondContact O-N 3.21Å; D269-Y271 VanDerWaalsContact C-N 3.31Å; D269-Y271 PolarHBondContact O-N 3.27Å; Y271-Q274 PolarHBondContact O-N 3.42Å; Y271-M275 HydrophobicContact CD1-CE 4.39Å; Y271-M275 HydrophobicContact CD2-CG 4.32Å; Y271-M275 HydrophobicContact CE1-CE 4.23Å; Y271-M275 HydrophobicContact CE1-SD 4.12Å; Y271-M275 HydrophobicContact CE2-CG 3.9Å; Y271-M275 HydrophobicContact CE2-SD 4.21Å; Y271-M275 WeakPolarHBondContact O-CG 3.49Å; Y271-M275 PolarHBondContact O-N 3.01Å
272	R	98.5	Very high	97.8	Very high	150 Å²	150	37.6 Å²	37.6	57%	0.566	18%	0.181	S	C	*	.	H	α-helix	trans	-62	-46.5	176	-72.8	169.1	-177.2	162.8	-1.4	112.8	E268 D269 I270 M275 G276	E268-R272 VanDerWaalsContact O-CG 3.3Å; E268-R272 WeakPolarHBondContact O-CG 3.14Å; E268-R272 PolarHBondContact O-N 3.25Å; D269-R272 PolarHBondContact O-N 2.75Å; D269-R272 IonicContact OD1-CZ 3.96Å; D269-R272 IonicContact OD1-NH1 3.46Å; D269-R272 PolarHBondContact OD1-NH1 3.32Å; I270-R272 PolarHBondContact O-N 2.81Å; R272-M275 HydrophobicContact CB-CE 4.32Å; R272-M275 HydrophobicContact CG-CE 4.06Å; R272-M275 PolarHBondContact O-N 2.51Å; R272-G276 PolarHBondContact O-N 3.12Å
273	F	98.5	Very high	98	Very high	29 Å²	29	41.8 Å²	41.8	13%	0.127	20%	0.196	C	C	.	.	H	α-helix	trans	-58.4	-49.3	174.3	166.4	-99.5	0	0	0	111	D269 I270 M275 G276 F277 H302 F306 I308 Y309	D269-F273 WeakPolarHBondContact O-CB 3.36Å; D269-F273 PolarHBondContact O-N 3.48Å; I270-F273 PolarHBondContact O-N 2.9Å; F273-M275 VanDerWaalsContact C-N 3.29Å; F273-M275 PolarHBondContact O-N 2.94Å; F273-G276 PolarHBondContact O-N 3.23Å; F273-F277 HydrophobicContact CE1-CB 4.43Å; F273-F277 HydrophobicContact CZ-CB 4.4Å; F273-F277 PolarHBondContact O-N 3.44Å; F273-H302 HydrophobicContact CE2-CB 3.96Å; F273-H302 AromaticContact CE2-CD2 3.95Å; F273-H302 HydrophobicContact CZ-CB 4.08Å; F273-F306 AromaticContact CE1-CD1 3.68Å; F273-F306 HydrophobicContact CE1-CD1 3.68Å; F273-F306 AromaticContact CE1-CE1 3.62Å; F273-F306 HydrophobicContact CE1-CE1 3.62Å; F273-F306 HydrophobicContact CE1-CG 4.27Å; F273-F306 HydrophobicContact CE1-CZ 4.16Å; F273-F306 AromaticContact CZ-CD1 3.77Å; F273-F306 HydrophobicContact CZ-CD1 3.77Å; F273-F306 HydrophobicContact CZ-CD2 4.04Å; F273-F306 AromaticContact CZ-CE1 3.73Å; F273-F306 HydrophobicContact CZ-CE1 3.73Å; F273-F306 HydrophobicContact CZ-CE2 4Å; F273-F306 AromaticContact CZ-CG 3.93Å; F273-F306 HydrophobicContact CZ-CG 3.93Å; F273-F306 AromaticContact CZ-CZ 3.85Å; F273-F306 HydrophobicContact CZ-CZ 3.85Å; F273-I308 HydrophobicContact CB-CD1 3.57Å; F273-I308 HydrophobicContact CD1-CD1 4.24Å; F273-I308 HydrophobicContact CG-CD1 3.91Å; F273-Y309 HydrophobicContact CD1-CE2 4.18Å; F273-Y309 HydrophobicContact CE1-CE2 4.16Å
274	Q	98.4	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-35.9	-177.5	-166	65.5	25.6	0	0	112.3	E230 Y233 I234 L237 I270 Y271 G276 F277 V278 Y309	E230-Q274 PolarHBondContact OE2-NE2 3.49Å; Y233-Q274 HydrophobicContact CD1-CG 3.97Å; Y233-Q274 HydrophobicContact CE1-CG 3.96Å; I234-Q274 HydrophobicContact CB-CG 4.13Å; I234-Q274 HydrophobicContact CD1-CG 4.45Å; I234-Q274 HydrophobicContact CG1-CG 4.24Å; L237-Q274 HydrophobicContact CD1-CB 3.75Å; L237-Q274 HydrophobicContact CD1-CG 3.84Å; I270-Q274 VanDerWaalsContact O-CB 3.23Å; I270-Q274 WeakPolarHBondContact O-CB 3.1Å; I270-Q274 PolarHBondContact O-N 2.83Å; Y271-Q274 PolarHBondContact O-N 3.42Å; Q274-G276 VanDerWaalsContact C-N 3.34Å; Q274-G276 PolarHBondContact O-N 3.42Å; Q274-F277 PolarHBondContact O-N 3.3Å; Q274-V278 HydrophobicContact CG-CG2 4.16Å; Q274-V278 WeakPolarHBondContact O-CB 3.4Å; Q274-V278 VanDerWaalsContact O-CG2 3.3Å; Q274-V278 WeakPolarHBondContact O-CG2 3.25Å; Q274-V278 PolarHBondContact O-N 3.27Å; Q274-Y309 PolarHBondContact OE1-OH 3.25Å
275	M	98.1	Very high	98.1	Very high	80 Å²	80	48.3 Å²	48.3	39%	0.394	22%	0.224	S	C	.	.	H	α-helix	trans	-58.8	-43	172.9	-75.8	-172.8	-65.9	0	0	112.6	I234 Y271 R272 F273 R279	I234-M275 HydrophobicContact CD1-CB 4.33Å; I234-M275 HydrophobicContact CD1-CG 3.84Å; Y271-M275 HydrophobicContact CD1-CE 4.39Å; Y271-M275 HydrophobicContact CD2-CG 4.32Å; Y271-M275 HydrophobicContact CE1-CE 4.23Å; Y271-M275 HydrophobicContact CE1-SD 4.12Å; Y271-M275 HydrophobicContact CE2-CG 3.9Å; Y271-M275 HydrophobicContact CE2-SD 4.21Å; Y271-M275 WeakPolarHBondContact O-CG 3.49Å; Y271-M275 PolarHBondContact O-N 3.01Å; R272-M275 HydrophobicContact CB-CE 4.32Å; R272-M275 HydrophobicContact CG-CE 4.06Å; R272-M275 PolarHBondContact O-N 2.51Å; F273-M275 VanDerWaalsContact C-N 3.29Å; F273-M275 PolarHBondContact O-N 2.94Å; M275-R279 VanDerWaalsContact O-CB 3.3Å; M275-R279 WeakPolarHBondContact O-CB 3.41Å; M275-R279 PolarHBondContact O-N 3.23Å
276	G	98	Very high	98.1	Very high	16 Å²	16	49.5 Å²	49.5	17%	0.165	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-49	176.2	0	0	0	0	0	111.6	R272 F273 Q274 V278 R279 D280	R272-G276 PolarHBondContact O-N 3.12Å; F273-G276 PolarHBondContact O-N 3.23Å; Q274-G276 VanDerWaalsContact C-N 3.34Å; Q274-G276 PolarHBondContact O-N 3.42Å; G276-V278 PolarHBondContact O-N 3.14Å; G276-R279 WeakPolarHBondContact O-CB 3.48Å; G276-R279 PolarHBondContact O-N 2.94Å; G276-D280 PolarHBondContact O-N 3.09Å; G276-D280 VanDerWaalsContact O-N 3.07Å
277	F	98.5	Very high	97.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.2	-48	-178.6	-179.6	-117	0	0	0	112.8	E230 F273 Q274 R279 D280 L281 C298 F299 H302 F306 Y364	E230-F277 WeakPolarHBondContact OE2-CE1 3.32Å; F273-F277 HydrophobicContact CE1-CB 4.43Å; F273-F277 HydrophobicContact CZ-CB 4.4Å; F273-F277 PolarHBondContact O-N 3.44Å; Q274-F277 PolarHBondContact O-N 3.3Å; F277-R279 PolarHBondContact O-N 3.03Å; F277-D280 PolarHBondContact O-N 3.48Å; F277-L281 HydrophobicContact CD1-CD1 3.98Å; F277-L281 HydrophobicContact CE1-CD1 3.44Å; F277-L281 VanDerWaalsContact CE1-CD1 3.44Å; F277-L281 HydrophobicContact CE1-CG 4.3Å; F277-L281 HydrophobicContact CE2-CD1 4.2Å; F277-L281 HydrophobicContact CE2-CG 4.2Å; F277-L281 HydrophobicContact CZ-CD1 3.56Å; F277-L281 HydrophobicContact CZ-CD2 4.34Å; F277-L281 HydrophobicContact CZ-CG 4.03Å; F277-L281 PolarHBondContact O-N 3.05Å; F277-C298 HydrophobicContact CE2-CB 4.25Å; F277-F299 HydrophobicContact CE1-CE1 4.33Å; F277-F299 HydrophobicContact CE1-CZ 4.36Å; F277-F299 HydrophobicContact CE2-CD1 4.27Å; F277-F299 HydrophobicContact CE2-CD2 4.46Å; F277-F299 HydrophobicContact CE2-CE1 4.43Å; F277-F299 HydrophobicContact CE2-CG 4.3Å; F277-F299 AromaticContact CZ-CD1 3.85Å; F277-F299 HydrophobicContact CZ-CD1 3.85Å; F277-F299 HydrophobicContact CZ-CD2 4.18Å; F277-F299 AromaticContact CZ-CE1 3.58Å; F277-F299 HydrophobicContact CZ-CE1 3.58Å; F277-F299 AromaticContact CZ-CE2 3.92Å; F277-F299 HydrophobicContact CZ-CE2 3.92Å; F277-F299 HydrophobicContact CZ-CG 4.16Å; F277-F299 AromaticContact CZ-CZ 3.63Å; F277-F299 HydrophobicContact CZ-CZ 3.63Å; F277-H302 HydrophobicContact CD2-CB 3.99Å; F277-H302 AromaticContact CD2-CG 3.82Å; F277-F306 HydrophobicContact CD1-CZ 4.48Å; F277-F306 HydrophobicContact CD2-CZ 4.28Å; F277-F306 HydrophobicContact CE1-CZ 4.19Å; F277-F306 AromaticContact CE2-CZ 3.99Å; F277-F306 HydrophobicContact CE2-CZ 3.99Å; F277-F306 AromaticContact CZ-CZ 3.95Å; F277-F306 HydrophobicContact CZ-CZ 3.95Å; F277-Y364 HydrophobicContact CE1-CE1 4.18Å
278	V	98.5	Very high	97.8	Very high	8 Å²	8	63 Å²	63	5%	0.048	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-41	178.7	174.7	0	0	0	0	111.7	E230 I234 Q274 G276 D280 L281 E282	E230-V278 HydrophobicContact CB-CG2 3.92Å; E230-V278 HydrophobicContact CG-CG2 4.46Å; I234-V278 HydrophobicContact CB-CG2 4.47Å; I234-V278 HydrophobicContact CD1-CB 4.24Å; I234-V278 HydrophobicContact CD1-CG2 4.19Å; Q274-V278 HydrophobicContact CG-CG2 4.16Å; Q274-V278 WeakPolarHBondContact O-CB 3.4Å; Q274-V278 VanDerWaalsContact O-CG2 3.3Å; Q274-V278 WeakPolarHBondContact O-CG2 3.25Å; Q274-V278 PolarHBondContact O-N 3.27Å; G276-V278 PolarHBondContact O-N 3.14Å; V278-D280 VanDerWaalsContact C-N 3.26Å; V278-D280 PolarHBondContact O-N 2.81Å; V278-L281 PolarHBondContact O-N 3.3Å; V278-E282 HydrophobicContact CG1-CG 4.3Å; V278-E282 WeakPolarHBondContact O-CB 3.37Å; V278-E282 WeakPolarHBondContact O-CG 3.47Å; V278-E282 PolarHBondContact O-N 3.23Å
279	R	98.4	Very high	97.6	Very high	131 Å²	131	64.9 Å²	64.9	49%	0.494	30%	0.303	S	S	.	.	H	α-helix	trans	-57.5	-42.6	175.7	176.3	-160.5	67.9	-156.6	-7.7	111.1	M275 G276 F277 E282 K283	M275-R279 VanDerWaalsContact O-CB 3.3Å; M275-R279 WeakPolarHBondContact O-CB 3.41Å; M275-R279 PolarHBondContact O-N 3.23Å; G276-R279 WeakPolarHBondContact O-CB 3.48Å; G276-R279 PolarHBondContact O-N 2.94Å; F277-R279 PolarHBondContact O-N 3.03Å; R279-E282 PolarHBondContact O-N 3.31Å; R279-K283 WeakPolarHBondContact O-CG 3.34Å; R279-K283 PolarHBondContact O-N 2.92Å
280	D	98.3	Very high	97.5	Very high	23 Å²	23	62.7 Å²	62.7	12%	0.123	29%	0.293	C	S	.	.	H	α-helix	trans	-77.6	-31.5	-176.7	-62.9	-26.1	0	0	0	111.8	G276 F277 V278 K283 Q284 H302	G276-D280 PolarHBondContact O-N 3.09Å; G276-D280 VanDerWaalsContact O-N 3.07Å; F277-D280 PolarHBondContact O-N 3.48Å; V278-D280 VanDerWaalsContact C-N 3.26Å; V278-D280 PolarHBondContact O-N 2.81Å; D280-K283 PolarHBondContact O-N 3.37Å; D280-K283 IonicContact OD1-NZ 2.83Å; D280-K283 PolarHBondContact OD1-NZ 3.43Å; D280-Q284 PolarHBondContact O-N 2.77Å; D280-H302 IonicContact OD2-CE1 2.75Å; D280-H302 PolarHBondContact OD2-CE1 3.2Å; D280-H302 IonicContact OD2-NE2 2.8Å
281	L	98	Very high	97.4	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-44.2	166.2	-77.5	174.9	0	0	0	112.7	M227 E230 F277 V278 K283 Q284 Y285 I295 C298 F299	M227-L281 HydrophobicContact CE-CB 4.1Å; M227-L281 HydrophobicContact SD-CB 3.98Å; E230-L281 HydrophobicContact CG-CD1 3.7Å; F277-L281 HydrophobicContact CD1-CD1 3.98Å; F277-L281 HydrophobicContact CE1-CD1 3.44Å; F277-L281 VanDerWaalsContact CE1-CD1 3.44Å; F277-L281 HydrophobicContact CE1-CG 4.3Å; F277-L281 HydrophobicContact CE2-CD1 4.2Å; F277-L281 HydrophobicContact CE2-CG 4.2Å; F277-L281 HydrophobicContact CZ-CD1 3.56Å; F277-L281 HydrophobicContact CZ-CD2 4.34Å; F277-L281 HydrophobicContact CZ-CG 4.03Å; F277-L281 PolarHBondContact O-N 3.05Å; V278-L281 PolarHBondContact O-N 3.3Å; L281-K283 PolarHBondContact O-N 3.48Å; L281-Q284 PolarHBondContact O-N 2.88Å; L281-Q284 VanDerWaalsContact O-N 3.11Å; L281-Y285 PolarHBondContact O-N 3.16Å; L281-Y285 VanDerWaalsContact O-N 3.13Å; L281-I295 HydrophobicContact CD2-CB 3.76Å; L281-I295 HydrophobicContact CD2-CG2 3.99Å; L281-C298 HydrophobicContact CD2-CB 3.77Å; L281-C298 HydrophobicContact CG-CB 4.27Å; L281-F299 HydrophobicContact CD2-CE2 4.34Å
282	E	97.6	Very high	97.4	Very high	93 Å²	93	65.6 Å²	65.6	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-64.7	-28.5	179.3	-75.3	-179.5	160.6	0	0	112.3	M227 R231 V278 R279	M227-E282 HydrophobicContact CE-CB 4.19Å; M227-E282 HydrophobicContact CE-CG 3.49Å; M227-E282 VanDerWaalsContact CE-CG 3.49Å; R231-E282 IonicContact NH1-OE1 3.63Å; V278-E282 HydrophobicContact CG1-CG 4.3Å; V278-E282 WeakPolarHBondContact O-CB 3.37Å; V278-E282 WeakPolarHBondContact O-CG 3.47Å; V278-E282 PolarHBondContact O-N 3.23Å; R279-E282 PolarHBondContact O-N 3.31Å
283	K	97.7	Very high	97.4	Very high	137 Å²	137	58.5 Å²	58.5	60%	0.596	28%	0.283	S	S	*	.	H	α-helix	trans	-69.8	-34.1	172.2	-71.3	171.5	-171.9	163	0	113.2	R279 D280 L281 Y285	R279-K283 WeakPolarHBondContact O-CG 3.34Å; R279-K283 PolarHBondContact O-N 2.92Å; D280-K283 PolarHBondContact O-N 3.37Å; D280-K283 IonicContact OD1-NZ 2.83Å; D280-K283 PolarHBondContact OD1-NZ 3.43Å; L281-K283 PolarHBondContact O-N 3.48Å; K283-Y285 VanDerWaalsContact C-N 3.32Å
284	Q	97.6	Very high	97.3	Very high	81 Å²	81	60.5 Å²	60.5	38%	0.379	29%	0.293	S	S	.	.	H	α-helix	trans	-84.2	-8.3	179	-62.8	-58.9	-12.6	0	0	113.3	D280 L281 N286 E294 I295 C298	D280-Q284 PolarHBondContact O-N 2.77Å; L281-Q284 PolarHBondContact O-N 2.88Å; L281-Q284 VanDerWaalsContact O-N 3.11Å; Q284-N286 PolarHBondContact O-N 3.08Å; Q284-E294 WeakPolarHBondContact CB-O 3.39Å; Q284-I295 HydrophobicContact CB-CG2 4.4Å; Q284-C298 WeakPolarHBondContact CG-SG 3.49Å
285	Y	97.7	Very high	97.3	Very high	60 Å²	60	60.5 Å²	60.5	24%	0.235	29%	0.293	C	S	.	.			trans	-73.9	117	179.2	179.7	-100.7	0	0	0	111.2	I223 N224 M227 L281 K283 T287 P290	I223-Y285 HydrophobicContact CG2-CD2 3.85Å; I223-Y285 HydrophobicContact CG2-CE2 3.89Å; N224-Y285 PolarHBondContact OD1-OH 3.33Å; N224-Y285 VanDerWaalsContact OD1-OH 3.08Å; M227-Y285 HydrophobicContact CG-CD2 3.88Å; M227-Y285 HydrophobicContact CG-CE2 4.37Å; L281-Y285 PolarHBondContact O-N 3.16Å; L281-Y285 VanDerWaalsContact O-N 3.13Å; K283-Y285 VanDerWaalsContact C-N 3.32Å; Y285-T287 PolarHBondContact O-N 2.57Å; Y285-P290 HydrophobicContact CE2-CB 4.07Å; Y285-P290 WeakPolarHBondContact OH-CG 3.15Å
286	N	96.7	Very high	97.3	Very high	53 Å²	53	56.7 Å²	56.7	28%	0.283	27%	0.274	S	S	.	.			trans	-81.7	116.2	173.5	-174.2	-25.1	0	0	0	109.7	Q284 E288 E289 P290 S293	Q284-N286 PolarHBondContact O-N 3.08Å; N286-E288 PolarHBondContact OD1-N 2.93Å; N286-E289 WeakPolarHBondContact CB-O 3.09Å; N286-E289 PolarHBondContact OD1-N 2.87Å; N286-P290 VanDerWaalsContact O-CA 3.28Å; N286-P290 WeakPolarHBondContact O-CA 3.4Å; N286-S293 PolarHBondContact N-OG 3.32Å
287	T	94.5	Very high	97.4	Very high	113 Å²	113	57 Å²	57	69%	0.693	27%	0.274	S	S	*	.	S	Bend	trans	-76.9	-30.5	-176	-56.3	0	0	0	0	112.8	Y285	Y285-T287 PolarHBondContact O-N 2.57Å
288	E	94.6	Very high	97.4	Very high	178 Å²	178	57.1 Å²	57.1	83%	0.832	27%	0.274	S	S	*	.	S	Bend	trans	-81.8	-43.3	-179.2	-60.6	-171.6	171.4	0	0	110.7	N286	N286-E288 PolarHBondContact OD1-N 2.93Å
289	E	95.1	Very high	97.4	Very high	94 Å²	94	56.8 Å²	56.8	44%	0.439	27%	0.272	S	S	.	.			trans	-129.3	81.6	-178.4	-65.8	-168.7	103.3	0	0	110.8	N286 H291 L292	N286-E289 WeakPolarHBondContact CB-O 3.09Å; N286-E289 PolarHBondContact OD1-N 2.87Å; E289-H291 PolarHBondContact O-N 3.48Å; E289-H291 IonicContact OE1-CE1 2.9Å; E289-L292 HydrophobicContact CB-CB 4.33Å; E289-L292 HydrophobicContact CB-CD1 3.84Å; E289-L292 HydrophobicContact CB-CG 4Å; E289-L292 HydrophobicContact CG-CD1 4.41Å; E289-L292 PolarHBondContact O-N 3.23Å; E289-L292 VanDerWaalsContact OE2-CD1 3.25Å; E289-L292 WeakPolarHBondContact OE2-CD1 3.31Å
290	P	96.4	Very high	97.3	Very high	26 Å²	26	52.3 Å²	52.3	17%	0.169	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-56.5	-30.5	-174	-28.5	35.8	0	0	0	114.5	A220 Y285 N286 L292 S293	A220-P290 HydrophobicContact CB-CB 4.05Å; Y285-P290 HydrophobicContact CE2-CB 4.07Å; Y285-P290 WeakPolarHBondContact OH-CG 3.15Å; N286-P290 VanDerWaalsContact O-CA 3.28Å; N286-P290 WeakPolarHBondContact O-CA 3.4Å; P290-L292 PolarHBondContact O-N 3.01Å; P290-S293 WeakPolarHBondContact O-CB 2.8Å; P290-S293 PolarHBondContact O-N 3.21Å; P290-S293 PolarHBondContact O-OG 3.4Å
291	H	96	Very high	97.3	Very high	36 Å²	36	58 Å²	58	17%	0.167	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-65.9	-22.6	177.5	68.1	-79.8	0	0	0	113.5	D216 R219 A220 E289 S293 H379	D216-H291 HydrophobicContact CB-CB 4.29Å; D216-H291 VanDerWaalsContact O-CB 3.25Å; D216-H291 WeakPolarHBondContact O-CB 3.38Å; R219-H291 HydrophobicContact CB-CB 4.41Å; R219-H291 WeakPolarHBondContact CD-O 3.42Å; R219-H291 HydrophobicContact CG-CB 4.46Å; R219-H291 PolarHBondContact NE-O 2.89Å; A220-H291 HydrophobicContact CB-CB 4.07Å; E289-H291 PolarHBondContact O-N 3.48Å; E289-H291 IonicContact OE1-CE1 2.9Å; H291-S293 VanDerWaalsContact C-N 3.33Å; H291-H379 PolarHBondContact O-NE2 3.04Å
292	L	97.6	Very high	97.3	Very high	70 Å²	70	59.5 Å²	59.5	37%	0.366	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-86.9	1.5	176.4	-61.2	-177.5	0	0	0	113.6	E289 P290 E294	E289-L292 HydrophobicContact CB-CB 4.33Å; E289-L292 HydrophobicContact CB-CD1 3.84Å; E289-L292 HydrophobicContact CB-CG 4Å; E289-L292 HydrophobicContact CG-CD1 4.41Å; E289-L292 PolarHBondContact O-N 3.23Å; E289-L292 VanDerWaalsContact OE2-CD1 3.25Å; E289-L292 WeakPolarHBondContact OE2-CD1 3.31Å; P290-L292 PolarHBondContact O-N 3.01Å; L292-E294 PolarHBondContact O-N 2.91Å
293	S	98.3	Very high	97.2	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	29%	0.287	C	S	.	.			trans	-61.4	135.6	177.7	-53.7	0	0	0	0	111.1	R219 N286 P290 H291	R219-S293 PolarHBondContact NH2-O 2.93Å; N286-S293 PolarHBondContact N-OG 3.32Å; P290-S293 WeakPolarHBondContact O-CB 2.8Å; P290-S293 PolarHBondContact O-N 3.21Å; P290-S293 PolarHBondContact O-OG 3.4Å; H291-S293 VanDerWaalsContact C-N 3.33Å
294	E	98.1	Very high	97	Very high	70 Å²	70	58.7 Å²	58.7	33%	0.327	29%	0.293	S	S	.	.			trans	-108.7	80.8	-177.7	-60.7	-171.5	173.1	0	0	111	Q284 L292 S380 D381	Q284-E294 WeakPolarHBondContact CB-O 3.39Å; L292-E294 PolarHBondContact O-N 2.91Å; E294-S380 WeakPolarHBondContact OE1-CB 3.44Å; E294-S380 PolarHBondContact OE1-OG 3.28Å; E294-D381 HydrophobicContact CB-CB 4.35Å; E294-D381 HydrophobicContact CG-CB 4.22Å
295	I	98.3	Very high	96.9	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.			trans	-96	-12.3	-172.2	66	165.7	0	0	0	113.6	I223 I226 L281 Q284 C298 F299 L371 D381	I223-I295 HydrophobicContact CD1-CD1 3.51Å; I223-I295 HydrophobicContact CD1-CG1 3.75Å; I223-I295 HydrophobicContact CD1-CG2 4.37Å; I226-I295 HydrophobicContact CD1-CD1 3.85Å; I226-I295 HydrophobicContact CG2-CD1 4.14Å; L281-I295 HydrophobicContact CD2-CB 3.76Å; L281-I295 HydrophobicContact CD2-CG2 3.99Å; Q284-I295 HydrophobicContact CB-CG2 4.4Å; I295-C298 WeakPolarHBondContact O-CB 3.38Å; I295-C298 PolarHBondContact O-N 2.93Å; I295-F299 HydrophobicContact CD1-CE2 4.49Å; I295-F299 WeakPolarHBondContact O-CD2 3.4Å; I295-L371 HydrophobicContact CD1-CD2 3.84Å; I295-L371 HydrophobicContact CG1-CD2 3.86Å; I295-D381 PolarHBondContact N-OD2 3.05Å
296	G	98.3	Very high	96.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-53.7	-47.3	176.5	0	0	0	0	0	113.5	C298 F299 L300 D381	G296-C298 VanDerWaalsContact C-N 3.3Å; G296-C298 PolarHBondContact O-N 3.45Å; G296-F299 PolarHBondContact O-N 3.1Å; G296-L300 PolarHBondContact O-N 3.26Å; G296-D381 WeakPolarHBondContact CA-OD1 3.29Å; G296-D381 PolarHBondContact N-OD1 3.33Å
297	P	98.5	Very high	96.6	Very high	24 Å²	24	55.1 Å²	55.1	16%	0.156	28%	0.279	C	S	.	.	H	α-helix	trans	-57	-37.3	177.5	-28	36.6	0	0	0	114.2	F299 L300 E301 D381 Y384	P297-F299 VanDerWaalsContact C-N 3.3Å; P297-F299 PolarHBondContact O-N 3.14Å; P297-L300 PolarHBondContact O-N 2.97Å; P297-L300 VanDerWaalsContact O-N 3.09Å; P297-E301 WeakPolarHBondContact O-CG 3.47Å; P297-E301 PolarHBondContact O-N 3.11Å; P297-D381 WeakPolarHBondContact CD-OD1 3.17Å; P297-Y384 HydrophobicContact CG-CD1 4.17Å; P297-Y384 HydrophobicContact CG-CD2 4.22Å; P297-Y384 HydrophobicContact CG-CG 3.91Å
298	C	98.4	Very high	96.6	Very high	1 Å²	1	52 Å²	52	1%	0.007	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-41.6	179.9	-66.3	0	0	0	0	112.4	F277 L281 Q284 I295 G296 H302	F277-C298 HydrophobicContact CE2-CB 4.25Å; L281-C298 HydrophobicContact CD2-CB 3.77Å; L281-C298 HydrophobicContact CG-CB 4.27Å; Q284-C298 WeakPolarHBondContact CG-SG 3.49Å; I295-C298 WeakPolarHBondContact O-CB 3.38Å; I295-C298 PolarHBondContact O-N 2.93Å; G296-C298 VanDerWaalsContact C-N 3.3Å; G296-C298 PolarHBondContact O-N 3.45Å; C298-H302 WeakPolarHBondContact O-CB 3.24Å; C298-H302 PolarHBondContact O-N 2.79Å; C298-H302 PolarHBondContact O-ND1 3.04Å
299	F	98.5	Very high	96.6	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-67.3	-37.3	177.5	-77.7	-90.2	0	0	0	112.2	F277 L281 I295 G296 P297 H302 Q303 F306 Y364 L368 A388 M392	F277-F299 HydrophobicContact CE1-CE1 4.33Å; F277-F299 HydrophobicContact CE1-CZ 4.36Å; F277-F299 HydrophobicContact CE2-CD1 4.27Å; F277-F299 HydrophobicContact CE2-CD2 4.46Å; F277-F299 HydrophobicContact CE2-CE1 4.43Å; F277-F299 HydrophobicContact CE2-CG 4.3Å; F277-F299 AromaticContact CZ-CD1 3.85Å; F277-F299 HydrophobicContact CZ-CD1 3.85Å; F277-F299 HydrophobicContact CZ-CD2 4.18Å; F277-F299 AromaticContact CZ-CE1 3.58Å; F277-F299 HydrophobicContact CZ-CE1 3.58Å; F277-F299 AromaticContact CZ-CE2 3.92Å; F277-F299 HydrophobicContact CZ-CE2 3.92Å; F277-F299 HydrophobicContact CZ-CG 4.16Å; F277-F299 AromaticContact CZ-CZ 3.63Å; F277-F299 HydrophobicContact CZ-CZ 3.63Å; L281-F299 HydrophobicContact CD2-CE2 4.34Å; I295-F299 HydrophobicContact CD1-CE2 4.49Å; I295-F299 WeakPolarHBondContact O-CD2 3.4Å; G296-F299 PolarHBondContact O-N 3.1Å; P297-F299 VanDerWaalsContact C-N 3.3Å; P297-F299 PolarHBondContact O-N 3.14Å; F299-H302 PolarHBondContact O-N 2.93Å; F299-Q303 PolarHBondContact O-N 3.41Å; F299-Q303 VanDerWaalsContact O-N 3.14Å; F299-F306 HydrophobicContact CD1-CE2 4.25Å; F299-F306 HydrophobicContact CD1-CZ 4.08Å; F299-F306 HydrophobicContact CE1-CZ 4.36Å; F299-Y364 AromaticContact CE1-CD1 3.48Å; F299-Y364 HydrophobicContact CE1-CD1 3.48Å; F299-Y364 VanDerWaalsContact CE1-CD1 3.48Å; F299-Y364 AromaticContact CE1-CE1 3.87Å; F299-Y364 HydrophobicContact CE1-CE1 3.87Å; F299-Y364 AromaticContact CE1-CG 3.93Å; F299-Y364 HydrophobicContact CE1-CG 3.93Å; F299-Y364 AromaticContact CZ-CD1 3.82Å; F299-Y364 HydrophobicContact CZ-CD1 3.82Å; F299-Y364 HydrophobicContact CZ-CE1 4.11Å; F299-L368 HydrophobicContact CD1-CD1 4.09Å; F299-L368 HydrophobicContact CD2-CD2 4.03Å; F299-L368 HydrophobicContact CE1-CD1 4.17Å; F299-L368 HydrophobicContact CE2-CD2 3.87Å; F299-L368 HydrophobicContact CG-CD1 4.28Å; F299-L368 HydrophobicContact CZ-CD1 4.44Å; F299-L368 HydrophobicContact CZ-CD2 4.24Å; F299-L368 HydrophobicContact CZ-CG 4.44Å; F299-A388 HydrophobicContact CB-CB 3.71Å; F299-A388 HydrophobicContact CG-CB 4.36Å; F299-M392 HydrophobicContact CD1-CG 3.88Å; F299-M392 HydrophobicContact CD1-SD 4.02Å; F299-M392 HydrophobicContact CE1-CG 4.43Å
300	L	98.3	Very high	96.3	Very high	37 Å²	37	39.2 Å²	39.2	19%	0.194	20%	0.199	C	C	.	.	H	α-helix	trans	-70.6	-41.7	-179.6	-64	174.8	0	0	0	111.8	G296 P297 H302 Q303 Y384 A387 A388 V391	G296-L300 PolarHBondContact O-N 3.26Å; P297-L300 PolarHBondContact O-N 2.97Å; P297-L300 VanDerWaalsContact O-N 3.09Å; L300-H302 VanDerWaalsContact C-N 3.26Å; L300-H302 PolarHBondContact O-N 3.35Å; L300-Q303 WeakPolarHBondContact O-CG 3.48Å; L300-Q303 PolarHBondContact O-N 3.14Å; L300-Q303 PolarHBondContact O-NE2 3.4Å; L300-Y384 HydrophobicContact CD1-CD1 3.94Å; L300-A387 HydrophobicContact CD1-CB 4.15Å; L300-A387 HydrophobicContact CD2-CB 4.04Å; L300-A388 HydrophobicContact CD2-CB 4.31Å; L300-A388 HydrophobicContact CG-CB 4.35Å; L300-V391 HydrophobicContact CD2-CB 4.46Å; L300-V391 HydrophobicContact CD2-CG2 3.88Å
301	E	97.8	Very high	95.9	Very high	142 Å²	142	43.2 Å²	43.2	66%	0.664	22%	0.215	S	C	*	.	H	α-helix	trans	-64.3	-32.8	176.6	-71.6	176.5	179.5	0	0	112.1	P297	P297-E301 WeakPolarHBondContact O-CG 3.47Å; P297-E301 PolarHBondContact O-N 3.11Å
302	H	97.8	Very high	95.8	Very high	32 Å²	32	41.7 Å²	41.7	15%	0.148	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	6.4	-177.1	-69.4	80.2	0	0	0	114	F273 F277 D280 C298 F299 L300 D304 G305 F306	F273-H302 HydrophobicContact CE2-CB 3.96Å; F273-H302 AromaticContact CE2-CD2 3.95Å; F273-H302 HydrophobicContact CZ-CB 4.08Å; F277-H302 HydrophobicContact CD2-CB 3.99Å; F277-H302 AromaticContact CD2-CG 3.82Å; D280-H302 IonicContact OD2-CE1 2.75Å; D280-H302 PolarHBondContact OD2-CE1 3.2Å; D280-H302 IonicContact OD2-NE2 2.8Å; C298-H302 WeakPolarHBondContact O-CB 3.24Å; C298-H302 PolarHBondContact O-N 2.79Å; C298-H302 PolarHBondContact O-ND1 3.04Å; F299-H302 PolarHBondContact O-N 2.93Å; L300-H302 VanDerWaalsContact C-N 3.26Å; L300-H302 PolarHBondContact O-N 3.35Å; H302-D304 VanDerWaalsContact C-N 3.34Å; H302-D304 PolarHBondContact O-N 3.26Å; H302-G305 WeakPolarHBondContact O-CA 3.34Å; H302-G305 PolarHBondContact O-N 3.5Å; H302-F306 HydrophobicContact CB-CE2 4.12Å; H302-F306 VanDerWaalsContact O-CD2 3.31Å; H302-F306 WeakPolarHBondContact O-CD2 3.23Å; H302-F306 PolarHBondContact O-N 3.05Å
303	Q	95.4	Very high	95.4	Very high	78 Å²	78	38.9 Å²	38.9	36%	0.364	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-54.4	-44.6	-169.7	70.8	-171.9	-78.8	0	0	114	F299 L300 G305 F306 V391	F299-Q303 PolarHBondContact O-N 3.41Å; F299-Q303 VanDerWaalsContact O-N 3.14Å; L300-Q303 WeakPolarHBondContact O-CG 3.48Å; L300-Q303 PolarHBondContact O-N 3.14Å; L300-Q303 PolarHBondContact O-NE2 3.4Å; Q303-G305 VanDerWaalsContact C-N 3.28Å; Q303-G305 PolarHBondContact O-N 3.2Å; Q303-F306 PolarHBondContact O-N 2.91Å; Q303-V391 HydrophobicContact CB-CG1 3.58Å
304	D	92.7	Very high	94.7	Very high	135 Å²	135	40.8 Å²	40.8	72%	0.722	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-69	-31	-179.4	-64	-32.6	0	0	0	111.4	H302 F306 W307	H302-D304 VanDerWaalsContact C-N 3.34Å; H302-D304 PolarHBondContact O-N 3.26Å; D304-F306 VanDerWaalsContact C-N 3.26Å; D304-F306 PolarHBondContact O-N 2.91Å; D304-W307 WeakPolarHBondContact O-CB 3.37Å; D304-W307 PolarHBondContact O-N 3.1Å; D304-W307 VanDerWaalsContact O-N 3.1Å
305	G	95.6	Very high	94.2	Very high	24 Å²	24	39.3 Å²	39.3	25%	0.247	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-66.7	-25.4	178.6	0	0	0	0	0	113.3	H302 Q303 W307 I308	H302-G305 WeakPolarHBondContact O-CA 3.34Å; H302-G305 PolarHBondContact O-N 3.5Å; Q303-G305 VanDerWaalsContact C-N 3.28Å; Q303-G305 PolarHBondContact O-N 3.2Å; G305-W307 PolarHBondContact O-N 2.87Å; G305-I308 VanDerWaalsContact O-CG1 3.27Å; G305-I308 WeakPolarHBondContact O-CG1 3.37Å
306	F	96.3	Very high	93.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-69.1	-13.5	173.7	-68.2	-75.3	0	0	0	113.2	F273 F277 F299 H302 Q303 D304 I308 Y309 I361 Y364 M392 V395	F273-F306 AromaticContact CE1-CD1 3.68Å; F273-F306 HydrophobicContact CE1-CD1 3.68Å; F273-F306 AromaticContact CE1-CE1 3.62Å; F273-F306 HydrophobicContact CE1-CE1 3.62Å; F273-F306 HydrophobicContact CE1-CG 4.27Å; F273-F306 HydrophobicContact CE1-CZ 4.16Å; F273-F306 AromaticContact CZ-CD1 3.77Å; F273-F306 HydrophobicContact CZ-CD1 3.77Å; F273-F306 HydrophobicContact CZ-CD2 4.04Å; F273-F306 AromaticContact CZ-CE1 3.73Å; F273-F306 HydrophobicContact CZ-CE1 3.73Å; F273-F306 HydrophobicContact CZ-CE2 4Å; F273-F306 AromaticContact CZ-CG 3.93Å; F273-F306 HydrophobicContact CZ-CG 3.93Å; F273-F306 AromaticContact CZ-CZ 3.85Å; F273-F306 HydrophobicContact CZ-CZ 3.85Å; F277-F306 HydrophobicContact CD1-CZ 4.48Å; F277-F306 HydrophobicContact CD2-CZ 4.28Å; F277-F306 HydrophobicContact CE1-CZ 4.19Å; F277-F306 AromaticContact CE2-CZ 3.99Å; F277-F306 HydrophobicContact CE2-CZ 3.99Å; F277-F306 AromaticContact CZ-CZ 3.95Å; F277-F306 HydrophobicContact CZ-CZ 3.95Å; F299-F306 HydrophobicContact CD1-CE2 4.25Å; F299-F306 HydrophobicContact CD1-CZ 4.08Å; F299-F306 HydrophobicContact CE1-CZ 4.36Å; H302-F306 HydrophobicContact CB-CE2 4.12Å; H302-F306 VanDerWaalsContact O-CD2 3.31Å; H302-F306 WeakPolarHBondContact O-CD2 3.23Å; H302-F306 PolarHBondContact O-N 3.05Å; Q303-F306 PolarHBondContact O-N 2.91Å; D304-F306 VanDerWaalsContact C-N 3.26Å; D304-F306 PolarHBondContact O-N 2.91Å; F306-I308 PolarHBondContact O-N 2.79Å; F306-Y309 HydrophobicContact CD1-CD2 4.41Å; F306-Y309 HydrophobicContact CD1-CE2 4.11Å; F306-Y309 WeakPolarHBondContact O-CB 3.37Å; F306-Y309 WeakPolarHBondContact O-CD2 3.24Å; F306-Y309 PolarHBondContact O-N 3.41Å; F306-Y309 VanDerWaalsContact O-N 3.16Å; F306-I361 HydrophobicContact CB-CD1 4.21Å; F306-I361 HydrophobicContact CD1-CD1 3.87Å; F306-I361 HydrophobicContact CG-CD1 4.36Å; F306-Y364 HydrophobicContact CD1-CE2 4.26Å; F306-Y364 HydrophobicContact CE1-CD2 4.15Å; F306-Y364 AromaticContact CE1-CE2 3.61Å; F306-Y364 HydrophobicContact CE1-CE2 3.61Å; F306-Y364 HydrophobicContact CZ-CE2 4.43Å; F306-M392 HydrophobicContact CD1-CE 3.91Å; F306-M392 HydrophobicContact CD2-CE 4.03Å; F306-M392 HydrophobicContact CD2-SD 3.76Å; F306-M392 HydrophobicContact CE1-CE 4.02Å; F306-M392 HydrophobicContact CE2-CE 4.13Å; F306-M392 HydrophobicContact CE2-SD 3.77Å; F306-M392 HydrophobicContact CG-CE 3.92Å; F306-M392 HydrophobicContact CG-SD 4.25Å; F306-M392 HydrophobicContact CZ-CE 4.13Å; F306-M392 HydrophobicContact CZ-SD 4.26Å; F306-V395 HydrophobicContact CB-CG1 3.93Å
307	W	91.2	Very high	92.9	Very high	94 Å²	94	45 Å²	45	36%	0.356	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-62.8	-26.2	178.9	-173.1	-116.2	0	0	0	113.5	D304 G305 Y309 S310 Q398 I548	D304-W307 WeakPolarHBondContact O-CB 3.37Å; D304-W307 PolarHBondContact O-N 3.1Å; D304-W307 VanDerWaalsContact O-N 3.1Å; G305-W307 PolarHBondContact O-N 2.87Å; W307-Y309 PolarHBondContact O-N 3.27Å; W307-Y309 VanDerWaalsContact O-N 3.08Å; W307-S310 WeakPolarHBondContact O-CB 3.44Å; W307-S310 PolarHBondContact O-N 3.5Å; W307-Q398 HydrophobicContact CH2-CB 4.47Å; W307-Q398 HydrophobicContact CZ3-CB 3.87Å; W307-I548 HydrophobicContact CZ2-CD1 4.44Å
308	I	94.7	Very high	92.3	Very high	47 Å²	47	47.9 Å²	47.9	24%	0.241	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-22.7	176.9	69.9	-172.2	0	0	0	112.9	N266 I270 F273 G305 F306 S310 E311 Y312	N266-I308 PolarHBondContact ND2-O 3.35Å; I270-I308 HydrophobicContact CG1-CD1 4.07Å; I270-I308 HydrophobicContact CG1-CG1 4.04Å; F273-I308 HydrophobicContact CB-CD1 3.57Å; F273-I308 HydrophobicContact CD1-CD1 4.24Å; F273-I308 HydrophobicContact CG-CD1 3.91Å; G305-I308 VanDerWaalsContact O-CG1 3.27Å; G305-I308 WeakPolarHBondContact O-CG1 3.37Å; F306-I308 PolarHBondContact O-N 2.79Å; I308-S310 PolarHBondContact O-N 3.41Å; I308-E311 PolarHBondContact O-N 3.49Å; I308-Y312 PolarHBondContact O-N 2.98Å
309	Y	94.8	Very high	92	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-23.5	174	-75.3	-100.7	0	0	0	112.5	Y233 I270 F273 Q274 F306 W307 Y312 C313 P357 I361	Y233-Y309 WeakPolarHBondContact CE1-OH 3.42Å; Y233-Y309 WeakPolarHBondContact OH-CE1 3.46Å; Y233-Y309 PolarHBondContact OH-OH 2.92Å; I270-Y309 HydrophobicContact CD1-CD1 4.19Å; I270-Y309 HydrophobicContact CD1-CE1 4.29Å; I270-Y309 HydrophobicContact CD1-CG 4.48Å; I270-Y309 HydrophobicContact CG2-CE1 4.01Å; I270-Y309 HydrophobicContact CG2-CE2 4.17Å; I270-Y309 WeakPolarHBondContact CG2-OH 3.48Å; F273-Y309 HydrophobicContact CD1-CE2 4.18Å; F273-Y309 HydrophobicContact CE1-CE2 4.16Å; Q274-Y309 PolarHBondContact OE1-OH 3.25Å; F306-Y309 HydrophobicContact CD1-CD2 4.41Å; F306-Y309 HydrophobicContact CD1-CE2 4.11Å; F306-Y309 WeakPolarHBondContact O-CB 3.37Å; F306-Y309 WeakPolarHBondContact O-CD2 3.24Å; F306-Y309 PolarHBondContact O-N 3.41Å; F306-Y309 VanDerWaalsContact O-N 3.16Å; W307-Y309 PolarHBondContact O-N 3.27Å; W307-Y309 VanDerWaalsContact O-N 3.08Å; Y309-Y312 PolarHBondContact O-N 3.1Å; Y309-C313 WeakPolarHBondContact O-CB 3.12Å; Y309-C313 PolarHBondContact O-N 3.19Å; Y309-C313 PolarHBondContact O-SG 3.09Å; Y309-P357 HydrophobicContact CD1-CB 4.15Å; Y309-P357 HydrophobicContact CE1-CB 3.8Å; Y309-I361 HydrophobicContact CD1-CB 3.84Å; Y309-I361 HydrophobicContact CD1-CG1 4.33Å; Y309-I361 HydrophobicContact CD1-CG2 4.32Å; Y309-I361 HydrophobicContact CD2-CD1 4.29Å; Y309-I361 HydrophobicContact CE1-CB 4.31Å; Y309-I361 HydrophobicContact CG-CB 4.22Å; Y309-I361 HydrophobicContact CG-CD1 4.18Å; Y309-I361 HydrophobicContact CG-CG1 4.2Å
310	S	88.8	Confident	91.3	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.028	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-50.6	174.8	-173.4	0	0	0	0	111.2	W307 I308 Y312 C313 N314	W307-S310 WeakPolarHBondContact O-CB 3.44Å; W307-S310 PolarHBondContact O-N 3.5Å; I308-S310 PolarHBondContact O-N 3.41Å; S310-Y312 VanDerWaalsContact C-N 3.33Å; S310-Y312 PolarHBondContact O-N 3.29Å; S310-C313 PolarHBondContact O-N 2.99Å; S310-N314 WeakPolarHBondContact O-CB 3.34Å; S310-N314 PolarHBondContact O-N 3.03Å; S310-N314 PolarHBondContact O-ND2 3.26Å
311	E	88.8	Confident	90.7	Very high	110 Å²	110	53.3 Å²	53.3	51%	0.514	27%	0.272	S	S	.	.	H	α-helix	trans	-58.1	-45.8	176	-179.4	-174.6	173.2	0	0	111.4	N266 I308 N314 N315	N266-E311 PolarHBondContact ND2-OE2 3.17Å; I308-E311 PolarHBondContact O-N 3.49Å; E311-N314 PolarHBondContact O-N 3.3Å; E311-N315 PolarHBondContact O-N 3.07Å; E311-N315 VanDerWaalsContact O-N 3.14Å
312	Y	93.6	Very high	90.4	Very high	5 Å²	5	48 Å²	48	2%	0.02	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-49.4	179.7	-167	-97.6	0	0	0	112.5	N266 I267 I270 I308 Y309 S310 N314 N315 H316 L354 P357 V358	N266-Y312 WeakPolarHBondContact OD1-CB 3.35Å; N266-Y312 WeakPolarHBondContact OD1-CD2 3.47Å; I267-Y312 HydrophobicContact CB-CE2 3.96Å; I267-Y312 HydrophobicContact CD1-CD2 4.49Å; I267-Y312 HydrophobicContact CD1-CE2 3.76Å; I267-Y312 HydrophobicContact CG1-CE2 4.35Å; I270-Y312 HydrophobicContact CD1-CD1 4.21Å; I270-Y312 HydrophobicContact CD1-CD2 3.72Å; I270-Y312 HydrophobicContact CD1-CE2 4.46Å; I270-Y312 HydrophobicContact CD1-CG 3.57Å; I308-Y312 PolarHBondContact O-N 2.98Å; Y309-Y312 PolarHBondContact O-N 3.1Å; S310-Y312 VanDerWaalsContact C-N 3.33Å; S310-Y312 PolarHBondContact O-N 3.29Å; Y312-N314 VanDerWaalsContact C-N 3.31Å; Y312-N314 PolarHBondContact O-N 3.33Å; Y312-N315 PolarHBondContact O-N 3.08Å; Y312-H316 WeakPolarHBondContact O-CB 3.37Å; Y312-H316 PolarHBondContact O-N 2.77Å; Y312-L354 WeakPolarHBondContact CE1-O 3.44Å; Y312-L354 WeakPolarHBondContact OH-CA 3.39Å; Y312-L354 WeakPolarHBondContact OH-CD2 3.32Å; Y312-L354 PolarHBondContact OH-O 3.47Å; Y312-P357 HydrophobicContact CD1-CB 3.85Å; Y312-P357 HydrophobicContact CD1-CG 4.24Å; Y312-P357 HydrophobicContact CE1-CB 3.69Å; Y312-P357 HydrophobicContact CE1-CG 3.6Å; Y312-V358 HydrophobicContact CD1-CG2 4.02Å; Y312-V358 HydrophobicContact CE1-CG2 4.03Å
313	C	88.6	Confident	90.2	Very high	10 Å²	10	46.7 Å²	46.7	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-35.7	-180	-72.2	0	0	0	0	112.6	Y309 S310 I399	Y309-C313 WeakPolarHBondContact O-CB 3.12Å; Y309-C313 PolarHBondContact O-N 3.19Å; Y309-C313 PolarHBondContact O-SG 3.09Å; S310-C313 PolarHBondContact O-N 2.99Å; C313-I399 HydrophobicContact CB-CG2 3.63Å
314	N	83.9	Confident	90	Very high	42 Å²	42	46.6 Å²	46.6	23%	0.225	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-39.5	177.4	-67.2	-31.3	0	0	0	111.9	S310 E311 Y312 R402 L406	S310-N314 WeakPolarHBondContact O-CB 3.34Å; S310-N314 PolarHBondContact O-N 3.03Å; S310-N314 PolarHBondContact O-ND2 3.26Å; E311-N314 PolarHBondContact O-N 3.3Å; Y312-N314 VanDerWaalsContact C-N 3.31Å; Y312-N314 PolarHBondContact O-N 3.33Å; N314-R402 WeakPolarHBondContact ND2-CG 3.24Å; N314-L406 HydrophobicContact CB-CD1 4.04Å
315	N	87.8	Confident	90	Very high	39 Å²	39	45.8 Å²	45.8	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-83.1	-16.1	-179.4	-178.6	79.3	0	0	0	113.5	V262 E311 Y312 L317 D318 A319	V262-N315 PolarHBondContact O-ND2 3.05Å; E311-N315 PolarHBondContact O-N 3.07Å; E311-N315 VanDerWaalsContact O-N 3.14Å; Y312-N315 PolarHBondContact O-N 3.08Å; N315-L317 VanDerWaalsContact C-N 3.28Å; N315-L317 PolarHBondContact O-N 3.06Å; N315-L317 VanDerWaalsContact O-N 3.17Å; N315-D318 PolarHBondContact O-N 3.36Å; N315-D318 VanDerWaalsContact O-N 3.07Å; N315-A319 PolarHBondContact O-N 3.42Å; N315-A319 VanDerWaalsContact O-N 3.1Å
316	H	86.7	Confident	90	Very high	25 Å²	25	45.1 Å²	45.1	12%	0.116	23%	0.23	C	C	.	.	H	α-helix	trans	-58.6	-34.5	-171.1	-174.7	67.6	0	0	0	114	Y312 A319 C320 L354 L355 V358	Y312-H316 WeakPolarHBondContact O-CB 3.37Å; Y312-H316 PolarHBondContact O-N 2.77Å; H316-A319 WeakPolarHBondContact O-CB 3.39Å; H316-A319 PolarHBondContact O-N 3.03Å; H316-C320 PolarHBondContact O-N 3.37Å; H316-C320 VanDerWaalsContact O-N 3.08Å; H316-C320 PolarHBondContact O-SG 3.45Å; H316-C320 VanDerWaalsContact O-SG 3.36Å; H316-L354 PolarHBondContact CE1-O 3.43Å; H316-L354 VanDerWaalsContact CE1-O 3.3Å; H316-L354 PolarHBondContact ND1-O 3.43Å; H316-L355 WeakPolarHBondContact NE2-CD1 3.43Å; H316-V358 HydrophobicContact CB-CG2 4.33Å
317	L	82.8	Confident	89.8	Confident	93 Å²	93	48 Å²	48	49%	0.487	24%	0.243	S	C	.	.	H	α-helix	trans	-66.3	-41.6	177.6	-176.3	62.1	0	0	0	111.8	N315 A319 C320 M321	N315-L317 VanDerWaalsContact C-N 3.28Å; N315-L317 PolarHBondContact O-N 3.06Å; N315-L317 VanDerWaalsContact O-N 3.17Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 3.23Å; L317-C320 WeakPolarHBondContact O-CB 3.34Å; L317-C320 PolarHBondContact O-N 3.36Å; L317-M321 HydrophobicContact CD1-CE 4.33Å; L317-M321 HydrophobicContact CD2-CE 4.18Å; L317-M321 HydrophobicContact CG-CE 4Å; L317-M321 WeakPolarHBondContact O-CG 3.39Å; L317-M321 PolarHBondContact O-N 3.09Å
318	D	86.7	Confident	90	Very high	85 Å²	85	53.8 Å²	53.8	46%	0.455	27%	0.265	S	S	.	.	H	α-helix	trans	-65.1	-38.9	177.2	-66	-33.1	0	0	0	111.1	V262 N315 C320 M321 E322	V262-D318 HydrophobicContact CG1-CB 4.18Å; N315-D318 PolarHBondContact O-N 3.36Å; N315-D318 VanDerWaalsContact O-N 3.07Å; D318-C320 PolarHBondContact O-N 3.45Å; D318-M321 PolarHBondContact O-N 3.29Å; D318-E322 PolarHBondContact O-N 2.85Å
319	A	90.7	Very high	90	Very high	3 Å²	3	54 Å²	54	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-47.1	172.6	0	0	0	0	0	111.9	V262 I263 N315 H316 L317 M321 E322 L323	V262-A319 VanDerWaalsContact O-CB 3.31Å; V262-A319 WeakPolarHBondContact O-CB 3.33Å; I263-A319 WeakPolarHBondContact O-CB 3.4Å; N315-A319 PolarHBondContact O-N 3.42Å; N315-A319 VanDerWaalsContact O-N 3.1Å; H316-A319 WeakPolarHBondContact O-CB 3.39Å; H316-A319 PolarHBondContact O-N 3.03Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 3.23Å; A319-M321 VanDerWaalsContact C-N 3.32Å; A319-M321 PolarHBondContact O-N 3.41Å; A319-E322 PolarHBondContact O-N 3.39Å; A319-L323 WeakPolarHBondContact O-CB 3.46Å; A319-L323 WeakPolarHBondContact O-CG 3.41Å; A319-L323 PolarHBondContact O-N 3.01Å
320	C	85.3	Confident	90.1	Very high	37 Å²	37	55.3 Å²	55.3	25%	0.25	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-39.4	176.8	-71.8	0	0	0	0	112.2	H316 L317 D318 S324	H316-C320 PolarHBondContact O-N 3.37Å; H316-C320 VanDerWaalsContact O-N 3.08Å; H316-C320 PolarHBondContact O-SG 3.45Å; H316-C320 VanDerWaalsContact O-SG 3.36Å; L317-C320 WeakPolarHBondContact O-CB 3.34Å; L317-C320 PolarHBondContact O-N 3.36Å; D318-C320 PolarHBondContact O-N 3.45Å; C320-S324 VanDerWaalsContact O-CB 3.32Å; C320-S324 WeakPolarHBondContact O-CB 3.41Å; C320-S324 PolarHBondContact O-N 2.94Å; C320-S324 PolarHBondContact O-OG 3.34Å
321	M	84.4	Confident	90.5	Very high	115 Å²	115	62.5 Å²	62.5	57%	0.567	31%	0.307	S	S	*	.	H	α-helix	trans	-66.5	-47	177.4	-68.7	-169.6	-173.9	0	0	112.2	L317 D318 A319 S324 K325	L317-M321 HydrophobicContact CD1-CE 4.33Å; L317-M321 HydrophobicContact CD2-CE 4.18Å; L317-M321 HydrophobicContact CG-CE 4Å; L317-M321 WeakPolarHBondContact O-CG 3.39Å; L317-M321 PolarHBondContact O-N 3.09Å; D318-M321 PolarHBondContact O-N 3.29Å; A319-M321 VanDerWaalsContact C-N 3.32Å; A319-M321 PolarHBondContact O-N 3.41Å; M321-S324 PolarHBondContact O-N 3.46Å; M321-K325 PolarHBondContact O-N 2.94Å
322	E	92.6	Very high	90.8	Very high	29 Å²	29	58.4 Å²	58.4	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-66.6	-40.8	179.1	-172.4	62.3	-165.3	0	0	111	Q259 V262 I263 D318 A319 S324 K325 L326	Q259-E322 PolarHBondContact NE2-OE1 3.18Å; V262-E322 HydrophobicContact CG1-CB 3.97Å; I263-E322 HydrophobicContact CD1-CG 4.16Å; I263-E322 HydrophobicContact CG1-CB 4.23Å; I263-E322 HydrophobicContact CG1-CG 4.04Å; D318-E322 PolarHBondContact O-N 2.85Å; A319-E322 PolarHBondContact O-N 3.39Å; E322-S324 PolarHBondContact O-N 3.31Å; E322-K325 WeakPolarHBondContact O-CB 3.34Å; E322-K325 PolarHBondContact O-N 3.46Å; E322-K325 IonicContact OE1-NZ 3.98Å; E322-K325 PolarHBondContact OE1-NZ 3.34Å; E322-K325 VanDerWaalsContact OE1-NZ 3.11Å; E322-K325 IonicContact OE2-NZ 3Å; E322-K325 PolarHBondContact OE2-NZ 3.15Å; E322-L326 WeakPolarHBondContact O-CG 3.47Å; E322-L326 PolarHBondContact O-N 2.85Å
323	L	93.6	Very high	90.9	Very high	5 Å²	5	62.6 Å²	62.6	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-46.2	173.3	-78.5	174.5	0	0	0	112.3	I263 A319 K325 L326 M327 F336 I350 D351 L354	I263-L323 HydrophobicContact CD1-CD2 4.35Å; I263-L323 HydrophobicContact CG1-CD2 4.44Å; I263-L323 HydrophobicContact CG1-CG 4.38Å; I263-L323 HydrophobicContact CG2-CD1 4.18Å; I263-L323 HydrophobicContact CG2-CD2 3.83Å; I263-L323 HydrophobicContact CG2-CG 3.96Å; A319-L323 WeakPolarHBondContact O-CB 3.46Å; A319-L323 WeakPolarHBondContact O-CG 3.41Å; A319-L323 PolarHBondContact O-N 3.01Å; L323-K325 PolarHBondContact O-N 2.83Å; L323-L326 PolarHBondContact O-N 3.41Å; L323-M327 WeakPolarHBondContact O-CB 3.26Å; L323-M327 WeakPolarHBondContact O-CG 3.49Å; L323-M327 PolarHBondContact O-N 2.89Å; L323-F336 HydrophobicContact CD2-CE2 3.93Å; L323-F336 HydrophobicContact CD2-CZ 3.99Å; L323-I350 HydrophobicContact CD1-CG2 4.25Å; L323-I350 HydrophobicContact CD2-CD1 4.44Å; L323-I350 HydrophobicContact CD2-CG2 3.99Å; L323-D351 HydrophobicContact CD1-CB 4.35Å; L323-L354 HydrophobicContact CD1-CD1 3.55Å
324	S	90.9	Very high	91.3	Very high	76 Å²	76	68.8 Å²	68.8	53%	0.531	33%	0.334	S	S	.	.	H	α-helix	trans	-58.9	-35.4	177.3	-64.1	0	0	0	0	112.3	C320 M321 E322	C320-S324 VanDerWaalsContact O-CB 3.32Å; C320-S324 WeakPolarHBondContact O-CB 3.41Å; C320-S324 PolarHBondContact O-N 2.94Å; C320-S324 PolarHBondContact O-OG 3.34Å; M321-S324 PolarHBondContact O-N 3.46Å; E322-S324 PolarHBondContact O-N 3.31Å
325	K	92.9	Very high	92	Very high	119 Å²	119	68 Å²	68	52%	0.517	33%	0.329	S	S	.	.	H	α-helix	trans	-70.5	-47.2	175.6	173.3	179.7	151.2	-136.3	0	111.7	M321 E322 L323 M327 R328	M321-K325 PolarHBondContact O-N 2.94Å; E322-K325 WeakPolarHBondContact O-CB 3.34Å; E322-K325 PolarHBondContact O-N 3.46Å; E322-K325 IonicContact OE1-NZ 3.98Å; E322-K325 PolarHBondContact OE1-NZ 3.34Å; E322-K325 VanDerWaalsContact OE1-NZ 3.11Å; E322-K325 IonicContact OE2-NZ 3Å; E322-K325 PolarHBondContact OE2-NZ 3.15Å; L323-K325 PolarHBondContact O-N 2.83Å; K325-M327 VanDerWaalsContact C-N 3.27Å; K325-M327 PolarHBondContact O-N 2.67Å; K325-R328 WeakPolarHBondContact O-CB 3.17Å; K325-R328 PolarHBondContact O-N 2.81Å
326	L	94.6	Very high	92.4	Very high	10 Å²	10	66.6 Å²	66.6	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-35.8	176.7	-68.4	-177.1	0	0	0	112	F255 I263 E322 L323 R328 D329 Y332	F255-L326 HydrophobicContact CD1-CD1 4.43Å; F255-L326 HydrophobicContact CE1-CD1 3.99Å; I263-L326 HydrophobicContact CD1-CD1 3.58Å; E322-L326 WeakPolarHBondContact O-CG 3.47Å; E322-L326 PolarHBondContact O-N 2.85Å; L323-L326 PolarHBondContact O-N 3.41Å; L326-R328 PolarHBondContact O-N 2.93Å; L326-R328 VanDerWaalsContact O-N 3.08Å; L326-D329 PolarHBondContact O-N 3.35Å; L326-Y332 HydrophobicContact CB-CD1 4.2Å; L326-Y332 HydrophobicContact CB-CD2 4.47Å; L326-Y332 HydrophobicContact CB-CG 4.08Å; L326-Y332 HydrophobicContact CD1-CD1 4.15Å; L326-Y332 HydrophobicContact CD1-CE1 4.2Å; L326-Y332 HydrophobicContact CD2-CD1 4.15Å; L326-Y332 HydrophobicContact CD2-CD2 4.37Å; L326-Y332 HydrophobicContact CD2-CE1 3.79Å; L326-Y332 HydrophobicContact CD2-CE2 4.02Å; L326-Y332 HydrophobicContact CD2-CG 4.42Å; L326-Y332 HydrophobicContact CG-CD1 4.41Å; L326-Y332 HydrophobicContact CG-CE1 4.45Å
327	M	92.8	Very high	92.8	Very high	59 Å²	59	69 Å²	69	29%	0.291	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-5.4	178	-67.1	-76.1	70.8	0	0	114.9	L323 K325 D329 Q333 F336	L323-M327 WeakPolarHBondContact O-CB 3.26Å; L323-M327 WeakPolarHBondContact O-CG 3.49Å; L323-M327 PolarHBondContact O-N 2.89Å; K325-M327 VanDerWaalsContact C-N 3.27Å; K325-M327 PolarHBondContact O-N 2.67Å; M327-D329 VanDerWaalsContact C-N 3.33Å; M327-Q333 HydrophobicContact CE-CB 4.05Å; M327-Q333 HydrophobicContact CE-CG 3.61Å; M327-Q333 PolarHBondContact O-NE2 3.48Å; M327-Q333 HydrophobicContact SD-CG 4.28Å; M327-F336 HydrophobicContact CE-CD2 3.61Å; M327-F336 HydrophobicContact CE-CE2 4.17Å; M327-F336 HydrophobicContact SD-CD2 4.19Å
328	R	94.6	Very high	93.5	Very high	217 Å²	217	66.8 Å²	66.8	82%	0.819	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-19.4	169.5	-61.7	-179.8	-179.8	-177.6	-1.1	113.1	K325 L326	K325-R328 WeakPolarHBondContact O-CB 3.17Å; K325-R328 PolarHBondContact O-N 2.81Å; L326-R328 PolarHBondContact O-N 2.93Å; L326-R328 VanDerWaalsContact O-N 3.08Å
329	D	95.8	Very high	93.9	Very high	52 Å²	52	63 Å²	63	28%	0.278	31%	0.308	S	S	.	.	S	Bend	trans	-100.5	120.9	176.8	176.3	-7.8	0	0	0	109.8	L326 M327 R331 Y332 Q333	L326-D329 PolarHBondContact O-N 3.35Å; M327-D329 VanDerWaalsContact C-N 3.33Å; D329-R331 PolarHBondContact O-N 2.77Å; D329-R331 VanDerWaalsContact O-N 3.1Å; D329-R331 WeakPolarHBondContact OD1-CB 3.42Å; D329-R331 WeakPolarHBondContact OD1-CG 3.37Å; D329-R331 PolarHBondContact OD1-N 3.16Å; D329-R331 IonicContact OD1-NE 3.7Å; D329-R331 PolarHBondContact OD1-NE 2.79Å; D329-R331 IonicContact OD2-CZ 2.71Å; D329-R331 IonicContact OD2-NE 3.69Å; D329-R331 PolarHBondContact OD2-NE 3.1Å; D329-R331 IonicContact OD2-NH2 3.39Å; D329-R331 PolarHBondContact OD2-NH2 3.3Å; D329-Y332 HydrophobicContact CB-CD2 3.81Å; D329-Y332 HydrophobicContact CB-CE2 4.23Å; D329-Y332 PolarHBondContact O-N 2.86Å; D329-Q333 PolarHBondContact O-N 3.06Å
330	G	95.8	Very high	94.1	Very high	27 Å²	27	63.9 Å²	63.9	28%	0.278	31%	0.31	S	S	.	.	H	α-helix	trans	-57.8	-24.8	-178.1	0	0	0	0	0	113.9	Y332 Q333 H334	G330-Y332 VanDerWaalsContact C-N 3.33Å; G330-Y332 PolarHBondContact O-N 3.45Å; G330-Q333 PolarHBondContact O-N 2.98Å; G330-H334 PolarHBondContact O-CD2 3.43Å; G330-H334 PolarHBondContact O-N 3.34Å
331	R	96.9	Very high	94.5	Very high	155 Å²	155	67 Å²	67	59%	0.585	32%	0.324	S	S	*	.	H	α-helix	trans	-61.2	-42	175.2	-65.2	-177.5	-64.2	162.8	1.8	111.9	M254 D329 F335	M254-R331 HydrophobicContact CE-CB 4.41Å; D329-R331 PolarHBondContact O-N 2.77Å; D329-R331 VanDerWaalsContact O-N 3.1Å; D329-R331 WeakPolarHBondContact OD1-CB 3.42Å; D329-R331 WeakPolarHBondContact OD1-CG 3.37Å; D329-R331 PolarHBondContact OD1-N 3.16Å; D329-R331 IonicContact OD1-NE 3.7Å; D329-R331 PolarHBondContact OD1-NE 2.79Å; D329-R331 IonicContact OD2-CZ 2.71Å; D329-R331 IonicContact OD2-NE 3.69Å; D329-R331 PolarHBondContact OD2-NE 3.1Å; D329-R331 IonicContact OD2-NH2 3.39Å; D329-R331 PolarHBondContact OD2-NH2 3.3Å; R331-F335 VanDerWaalsContact O-CB 3.25Å; R331-F335 WeakPolarHBondContact O-CB 3.3Å; R331-F335 PolarHBondContact O-N 3.47Å
332	Y	97.1	Very high	94.9	Very high	24 Å²	24	68.2 Å²	68.2	9%	0.094	33%	0.332	C	S	.	.	H	α-helix	trans	-73.6	-35	177.6	-64.8	-90.9	0	0	0	111.3	M254 F255 L326 D329 G330 F335 F336	M254-Y332 HydrophobicContact CB-CE1 4.14Å; M254-Y332 HydrophobicContact CE-CD1 3.85Å; M254-Y332 HydrophobicContact CE-CE1 3.95Å; M254-Y332 HydrophobicContact CE-CG 4.2Å; M254-Y332 PolarHBondContact O-OH 3.4Å; F255-Y332 HydrophobicContact CD1-CE1 4.22Å; F255-Y332 AromaticContact CE1-CD1 3.76Å; F255-Y332 HydrophobicContact CE1-CD1 3.76Å; F255-Y332 AromaticContact CE1-CE1 3.7Å; F255-Y332 HydrophobicContact CE1-CE1 3.7Å; F255-Y332 HydrophobicContact CE2-CE1 4.43Å; F255-Y332 AromaticContact CZ-CD1 3.67Å; F255-Y332 HydrophobicContact CZ-CD1 3.67Å; F255-Y332 AromaticContact CZ-CE1 3.83Å; F255-Y332 HydrophobicContact CZ-CE1 3.83Å; L326-Y332 HydrophobicContact CB-CD1 4.2Å; L326-Y332 HydrophobicContact CB-CD2 4.47Å; L326-Y332 HydrophobicContact CB-CG 4.08Å; L326-Y332 HydrophobicContact CD1-CD1 4.15Å; L326-Y332 HydrophobicContact CD1-CE1 4.2Å; L326-Y332 HydrophobicContact CD2-CD1 4.15Å; L326-Y332 HydrophobicContact CD2-CD2 4.37Å; L326-Y332 HydrophobicContact CD2-CE1 3.79Å; L326-Y332 HydrophobicContact CD2-CE2 4.02Å; L326-Y332 HydrophobicContact CD2-CG 4.42Å; L326-Y332 HydrophobicContact CG-CD1 4.41Å; L326-Y332 HydrophobicContact CG-CE1 4.45Å; D329-Y332 HydrophobicContact CB-CD2 3.81Å; D329-Y332 HydrophobicContact CB-CE2 4.23Å; D329-Y332 PolarHBondContact O-N 2.86Å; G330-Y332 VanDerWaalsContact C-N 3.33Å; G330-Y332 PolarHBondContact O-N 3.45Å; Y332-F335 PolarHBondContact O-N 3.32Å; Y332-F336 WeakPolarHBondContact O-CD2 3.41Å; Y332-F336 PolarHBondContact O-N 3.38Å
333	Q	95.7	Very high	94.8	Very high	93 Å²	93	69.4 Å²	69.4	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-58.4	-52.7	175.2	-64.5	-179.9	6.6	0	0	110.7	M327 D329 G330 F335 F336 E337	M327-Q333 HydrophobicContact CE-CB 4.05Å; M327-Q333 HydrophobicContact CE-CG 3.61Å; M327-Q333 PolarHBondContact O-NE2 3.48Å; M327-Q333 HydrophobicContact SD-CG 4.28Å; D329-Q333 PolarHBondContact O-N 3.06Å; G330-Q333 PolarHBondContact O-N 2.98Å; Q333-F335 VanDerWaalsContact C-N 3.32Å; Q333-F335 PolarHBondContact O-N 2.89Å; Q333-F336 PolarHBondContact O-N 3.43Å; Q333-E337 VanDerWaalsContact O-CB 3.31Å; Q333-E337 WeakPolarHBondContact O-CB 3.25Å; Q333-E337 PolarHBondContact O-N 3.3Å
334	H	96.8	Very high	94.7	Very high	139 Å²	139	77.3 Å²	77.3	64%	0.644	37%	0.374	S	S	*	.	H	α-helix	trans	-64.9	-36.7	178	-63	-44.3	0	0	0	112.5	G330 A338	G330-H334 PolarHBondContact O-CD2 3.43Å; G330-H334 PolarHBondContact O-N 3.34Å; H334-A338 VanDerWaalsContact O-CB 3.25Å; H334-A338 WeakPolarHBondContact O-CB 3.5Å; H334-A338 PolarHBondContact O-N 3.08Å
335	F	97.6	Very high	94.3	Very high	27 Å²	27	74.2 Å²	74.2	12%	0.118	35%	0.352	C	S	.	.	H	α-helix	trans	-64.1	-50.6	177.5	175.6	-94.3	0	0	0	112.3	Q247 R251 M254 F255 R331 Y332 Q333 A338 C339	Q247-F335 HydrophobicContact CB-CE2 4.49Å; Q247-F335 HydrophobicContact CB-CZ 3.89Å; R251-F335 HydrophobicContact CB-CE2 4.49Å; R251-F335 HydrophobicContact CG-CD2 4.49Å; R251-F335 HydrophobicContact CG-CE2 3.7Å; R251-F335 HydrophobicContact CG-CZ 4.24Å; M254-F335 HydrophobicContact CE-CB 3.92Å; M254-F335 HydrophobicContact CE-CD2 4.46Å; M254-F335 HydrophobicContact CE-CG 4.1Å; M254-F335 HydrophobicContact SD-CD2 4.21Å; M254-F335 HydrophobicContact SD-CG 4.44Å; F255-F335 AromaticContact CE2-CD1 3.88Å; F255-F335 HydrophobicContact CE2-CD1 3.88Å; F255-F335 AromaticContact CE2-CE1 3.5Å; F255-F335 HydrophobicContact CE2-CE1 3.5Å; F255-F335 VanDerWaalsContact CE2-CE1 3.5Å; F255-F335 AromaticContact CE2-CZ 3.93Å; F255-F335 HydrophobicContact CE2-CZ 3.93Å; F255-F335 AromaticContact CZ-CD1 3.83Å; F255-F335 HydrophobicContact CZ-CD1 3.83Å; F255-F335 AromaticContact CZ-CE1 3.73Å; F255-F335 HydrophobicContact CZ-CE1 3.73Å; R331-F335 VanDerWaalsContact O-CB 3.25Å; R331-F335 WeakPolarHBondContact O-CB 3.3Å; R331-F335 PolarHBondContact O-N 3.47Å; Y332-F335 PolarHBondContact O-N 3.32Å; Q333-F335 VanDerWaalsContact C-N 3.32Å; Q333-F335 PolarHBondContact O-N 2.89Å; F335-A338 PolarHBondContact O-N 2.97Å; F335-C339 PolarHBondContact O-N 3.22Å; F335-C339 PolarHBondContact O-SG 3.43Å
336	F	96.6	Very high	93.8	Very high	9 Å²	9	73.1 Å²	73.1	4%	0.039	35%	0.351	C	S	.	.	H	α-helix	trans	-66.7	-38	178.9	-71.2	-48.5	0	0	0	111.7	Y244 F255 L323 M327 Y332 Q333 A338 C339 R340 I350	Y244-F336 AromaticContact CD1-CD1 3.83Å; Y244-F336 HydrophobicContact CD1-CD1 3.83Å; Y244-F336 HydrophobicContact CD1-CE1 4.49Å; Y244-F336 HydrophobicContact CE1-CB 4.26Å; Y244-F336 HydrophobicContact CE1-CD1 4.07Å; Y244-F336 WeakPolarHBondContact CE1-O 3.42Å; F255-F336 HydrophobicContact CE1-CE1 4.38Å; F255-F336 AromaticContact CE1-CZ 3.81Å; F255-F336 HydrophobicContact CE1-CZ 3.81Å; F255-F336 HydrophobicContact CZ-CE1 4.03Å; F255-F336 AromaticContact CZ-CZ 3.79Å; F255-F336 HydrophobicContact CZ-CZ 3.79Å; L323-F336 HydrophobicContact CD2-CE2 3.93Å; L323-F336 HydrophobicContact CD2-CZ 3.99Å; M327-F336 HydrophobicContact CE-CD2 3.61Å; M327-F336 HydrophobicContact CE-CE2 4.17Å; M327-F336 HydrophobicContact SD-CD2 4.19Å; Y332-F336 WeakPolarHBondContact O-CD2 3.41Å; Y332-F336 PolarHBondContact O-N 3.38Å; Q333-F336 PolarHBondContact O-N 3.43Å; F336-A338 PolarHBondContact O-N 3.07Å; F336-C339 WeakPolarHBondContact O-CB 3.35Å; F336-C339 PolarHBondContact O-N 3.1Å; F336-R340 WeakPolarHBondContact O-CB 3.37Å; F336-R340 PolarHBondContact O-N 3.03Å; F336-I350 HydrophobicContact CD1-CD1 3.73Å; F336-I350 HydrophobicContact CD2-CG2 4.23Å; F336-I350 HydrophobicContact CE1-CD1 3.53Å; F336-I350 HydrophobicContact CG-CD1 4.43Å; F336-I350 HydrophobicContact CG-CG2 4.27Å; F336-I350 HydrophobicContact CZ-CD1 4.09Å
337	E	95.1	Very high	93.4	Very high	74 Å²	74	78.6 Å²	78.6	35%	0.346	38%	0.38	S	S	.	.	H	α-helix	trans	-64.4	-40.4	175	-177.1	57.3	-164.8	0	0	112	Q333 C339 R340 L341	Q333-E337 VanDerWaalsContact O-CB 3.31Å; Q333-E337 WeakPolarHBondContact O-CB 3.25Å; Q333-E337 PolarHBondContact O-N 3.3Å; E337-C339 PolarHBondContact O-N 2.84Å; E337-R340 WeakPolarHBondContact O-CB 3.44Å; E337-R340 PolarHBondContact O-N 3.31Å; E337-R340 IonicContact OE1-CZ 3.26Å; E337-R340 IonicContact OE1-NE 2.75Å; E337-R340 PolarHBondContact OE1-NE 3.4Å; E337-R340 IonicContact OE1-NH2 2.77Å; E337-R340 PolarHBondContact OE1-NH2 3.17Å; E337-R340 IonicContact OE2-CZ 2.85Å; E337-R340 IonicContact OE2-NE 3.42Å; E337-R340 PolarHBondContact OE2-NE 3.5Å; E337-R340 IonicContact OE2-NH2 2.77Å; E337-L341 HydrophobicContact CG-CD1 4.22Å; E337-L341 WeakPolarHBondContact O-CG 3.43Å; E337-L341 PolarHBondContact O-N 3.41Å
338	A	96.4	Very high	93	Very high	47 Å²	47	78.5 Å²	78.5	39%	0.388	38%	0.38	S	S	.	.	H	α-helix	trans	-62.4	-42.4	173.8	0	0	0	0	0	111.9	H334 F335 F336 R340 L341 L342	H334-A338 VanDerWaalsContact O-CB 3.25Å; H334-A338 WeakPolarHBondContact O-CB 3.5Å; H334-A338 PolarHBondContact O-N 3.08Å; F335-A338 PolarHBondContact O-N 2.97Å; F336-A338 PolarHBondContact O-N 3.07Å; A338-R340 VanDerWaalsContact C-N 3.33Å; A338-R340 PolarHBondContact O-N 3Å; A338-L341 PolarHBondContact O-N 3.12Å; A338-L342 WeakPolarHBondContact O-CB 3.48Å; A338-L342 VanDerWaalsContact O-CG 3.24Å; A338-L342 WeakPolarHBondContact O-CG 3.35Å; A338-L342 PolarHBondContact O-N 3.26Å
339	C	95.9	Very high	92.7	Very high	6 Å²	6	71 Å²	71	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-60.5	-43.6	174.7	-65.7	0	0	0	0	111.4	G243 Y244 F335 F336 E337 L342 Q343	G243-C339 WeakPolarHBondContact O-CB 3.36Å; Y244-C339 HydrophobicContact CD1-CB 3.57Å; Y244-C339 HydrophobicContact CE1-CB 3.65Å; F335-C339 PolarHBondContact O-N 3.22Å; F335-C339 PolarHBondContact O-SG 3.43Å; F336-C339 WeakPolarHBondContact O-CB 3.35Å; F336-C339 PolarHBondContact O-N 3.1Å; E337-C339 PolarHBondContact O-N 2.84Å; C339-L342 PolarHBondContact O-N 3.45Å; C339-Q343 PolarHBondContact O-N 3.43Å
340	R	95.6	Very high	92.6	Very high	21 Å²	21	68.8 Å²	68.8	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-57.6	-50.6	177	-163.9	-172.4	66.5	81.3	-10.4	112.1	Y244 F336 E337 A338 Q344 M345 I346 D347 I348	Y244-R340 WeakPolarHBondContact OH-CB 3.47Å; F336-R340 WeakPolarHBondContact O-CB 3.37Å; F336-R340 PolarHBondContact O-N 3.03Å; E337-R340 WeakPolarHBondContact O-CB 3.44Å; E337-R340 PolarHBondContact O-N 3.31Å; E337-R340 IonicContact OE1-CZ 3.26Å; E337-R340 IonicContact OE1-NE 2.75Å; E337-R340 PolarHBondContact OE1-NE 3.4Å; E337-R340 IonicContact OE1-NH2 2.77Å; E337-R340 PolarHBondContact OE1-NH2 3.17Å; E337-R340 IonicContact OE2-CZ 2.85Å; E337-R340 IonicContact OE2-NE 3.42Å; E337-R340 PolarHBondContact OE2-NE 3.5Å; E337-R340 IonicContact OE2-NH2 2.77Å; A338-R340 VanDerWaalsContact C-N 3.33Å; A338-R340 PolarHBondContact O-N 3Å; R340-Q344 PolarHBondContact O-N 2.98Å; R340-M345 HydrophobicContact CG-CB 3.76Å; R340-M345 PolarHBondContact NH1-O 2.92Å; R340-M345 PolarHBondContact O-N 3.2Å; R340-I346 PolarHBondContact NH1-O 2.98Å; R340-D347 IonicContact CZ-OD1 3.54Å; R340-D347 IonicContact NE-OD1 3.17Å; R340-D347 IonicContact NH1-OD1 3.32Å; R340-D347 IonicContact NH2-OD1 3.6Å; R340-D347 PolarHBondContact NH2-OD1 3.27Å; R340-I348 WeakPolarHBondContact CD-O 3.4Å
341	L	93.8	Very high	92.3	Very high	103 Å²	103	71.6 Å²	71.6	54%	0.539	36%	0.361	S	S	.	.	H	α-helix	trans	-66.7	-42.4	-178.5	-68.7	173	0	0	0	112.3	E337 A338 Q343 Q344	E337-L341 HydrophobicContact CG-CD1 4.22Å; E337-L341 WeakPolarHBondContact O-CG 3.43Å; E337-L341 PolarHBondContact O-N 3.41Å; A338-L341 PolarHBondContact O-N 3.12Å; L341-Q343 VanDerWaalsContact C-N 3.32Å; L341-Q343 PolarHBondContact O-N 3.29Å; L341-Q344 PolarHBondContact O-N 3.41Å; L341-Q344 VanDerWaalsContact O-N 3.09Å
342	L	92.8	Very high	91.8	Very high	140 Å²	140	65.3 Å²	65.3	73%	0.733	35%	0.345	S	S	*	.	H	α-helix	trans	-63.5	-37.3	-180	-76	171	0	0	0	112.5	A338 C339 Q344	A338-L342 WeakPolarHBondContact O-CB 3.48Å; A338-L342 VanDerWaalsContact O-CG 3.24Å; A338-L342 WeakPolarHBondContact O-CG 3.35Å; A338-L342 PolarHBondContact O-N 3.26Å; C339-L342 PolarHBondContact O-N 3.45Å; L342-Q344 VanDerWaalsContact C-N 3.25Å; L342-Q344 PolarHBondContact O-N 3.08Å
343	Q	89.4	Confident	91.6	Very high	54 Å²	54	64.4 Å²	64.4	25%	0.252	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	1	177.6	-162.5	66.1	8.8	0	0	112.7	D239 C339 L341 M345	D239-Q343 HydrophobicContact CB-CG 3.86Å; D239-Q343 WeakPolarHBondContact OD1-CG 3.26Å; D239-Q343 PolarHBondContact OD1-NE2 3.11Å; C339-Q343 PolarHBondContact O-N 3.43Å; L341-Q343 VanDerWaalsContact C-N 3.32Å; L341-Q343 PolarHBondContact O-N 3.29Å; Q343-M345 HydrophobicContact CB-CE 3.43Å; Q343-M345 VanDerWaalsContact CB-CE 3.43Å; Q343-M345 HydrophobicContact CB-CG 4.04Å; Q343-M345 HydrophobicContact CB-SD 4.48Å; Q343-M345 HydrophobicContact CG-CE 3.83Å; Q343-M345 HydrophobicContact CG-CG 4.12Å; Q343-M345 PolarHBondContact O-N 3.47Å
344	Q	91	Very high	91.5	Very high	171 Å²	171	60 Å²	60	80%	0.799	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	40.1	-178.6	-56.1	178.5	-4.6	0	0	112.7	R340 L341 L342	R340-Q344 PolarHBondContact O-N 2.98Å; L341-Q344 PolarHBondContact O-N 3.41Å; L341-Q344 VanDerWaalsContact O-N 3.09Å; L342-Q344 VanDerWaalsContact C-N 3.25Å; L342-Q344 PolarHBondContact O-N 3.08Å
345	M	83.6	Confident	91.3	Very high	11 Å²	11	56.1 Å²	56.1	5%	0.054	30%	0.304	C	S	.	.			trans	-75.9	151.7	177.5	-73.4	-177.4	-100.1	0	0	111	D239 Y244 R340 Q343 F353	D239-M345 HydrophobicContact CB-CG 4.02Å; D239-M345 HydrophobicContact CB-SD 3.98Å; Y244-M345 HydrophobicContact CD2-CE 3.89Å; Y244-M345 HydrophobicContact CD2-SD 4.26Å; Y244-M345 HydrophobicContact CE1-CE 4.3Å; Y244-M345 HydrophobicContact CE2-CE 3.39Å; Y244-M345 HydrophobicContact CE2-SD 3.51Å; Y244-M345 VanDerWaalsContact CE2-SD 3.51Å; R340-M345 HydrophobicContact CG-CB 3.76Å; R340-M345 PolarHBondContact NH1-O 2.92Å; R340-M345 PolarHBondContact O-N 3.2Å; Q343-M345 HydrophobicContact CB-CE 3.43Å; Q343-M345 VanDerWaalsContact CB-CE 3.43Å; Q343-M345 HydrophobicContact CB-CG 4.04Å; Q343-M345 HydrophobicContact CB-SD 4.48Å; Q343-M345 HydrophobicContact CG-CE 3.83Å; Q343-M345 HydrophobicContact CG-CG 4.12Å; Q343-M345 PolarHBondContact O-N 3.47Å; M345-F353 HydrophobicContact CB-CE2 4.09Å; M345-F353 HydrophobicContact CB-CZ 3.83Å; M345-F353 HydrophobicContact CG-CE2 4.46Å; M345-F353 HydrophobicContact CG-CZ 4.03Å; M345-F353 HydrophobicContact SD-CD2 4.4Å; M345-F353 HydrophobicContact SD-CE1 4.32Å; M345-F353 HydrophobicContact SD-CE2 3.98Å; M345-F353 HydrophobicContact SD-CZ 3.94Å
346	I	82	Confident	91	Very high	97 Å²	97	55.8 Å²	55.8	50%	0.497	30%	0.304	S	S	.	.			trans	-57.8	160.5	170.5	55.3	176.2	0	0	0	111.1	R340 I348 F353	R340-I346 PolarHBondContact NH1-O 2.98Å; I346-I348 HydrophobicContact CD1-CD1 3.4Å; I346-I348 HydrophobicContact CD1-CG1 3.91Å; I346-I348 HydrophobicContact CG1-CB 4.39Å; I346-I348 HydrophobicContact CG1-CD1 4.01Å; I346-I348 HydrophobicContact CG1-CG1 3.97Å; I346-I348 PolarHBondContact O-N 3.2Å; I346-F353 HydrophobicContact CG1-CE2 4.4Å; I346-F353 HydrophobicContact CG1-CZ 3.74Å
347	D	85.3	Confident	91	Very high	125 Å²	125	55.3 Å²	55.3	67%	0.668	30%	0.303	S	S	*	.	S	Bend	trans	-76.3	67.5	-177.7	-158.3	40.8	0	0	0	111.4	R340	R340-D347 IonicContact CZ-OD1 3.54Å; R340-D347 IonicContact NE-OD1 3.17Å; R340-D347 IonicContact NH1-OD1 3.32Å; R340-D347 IonicContact NH2-OD1 3.6Å; R340-D347 PolarHBondContact NH2-OD1 3.27Å
348	I	85.5	Confident	90.8	Very high	57 Å²	57	52.6 Å²	52.6	29%	0.292	29%	0.291	S	S	.	.			trans	-128.3	131.8	173.5	-60.2	-173	0	0	0	106.1	R340 I346 F353	R340-I348 WeakPolarHBondContact CD-O 3.4Å; I346-I348 HydrophobicContact CD1-CD1 3.4Å; I346-I348 HydrophobicContact CD1-CG1 3.91Å; I346-I348 HydrophobicContact CG1-CB 4.39Å; I346-I348 HydrophobicContact CG1-CD1 4.01Å; I346-I348 HydrophobicContact CG1-CG1 3.97Å; I346-I348 PolarHBondContact O-N 3.2Å; I348-F353 HydrophobicContact CB-CD2 4.2Å; I348-F353 HydrophobicContact CB-CE2 3.87Å; I348-F353 HydrophobicContact CG2-CD2 4.17Å; I348-F353 HydrophobicContact CG2-CE2 4.34Å; I348-F353 WeakPolarHBondContact O-CE2 3.21Å
349	A	88.5	Confident	90.3	Very high	59 Å²	59	52.6 Å²	52.6	49%	0.488	28%	0.283	S	S	.	.			trans	-67.7	163.9	176.4	0	0	0	0	0	111.4	D351 G352 F353	A349-D351 VanDerWaalsContact C-N 3.25Å; A349-D351 WeakPolarHBondContact CB-OD1 3.47Å; A349-D351 PolarHBondContact O-N 3.48Å; A349-G352 PolarHBondContact O-N 3.2Å; A349-G352 VanDerWaalsContact O-N 3.1Å; A349-F353 PolarHBondContact O-N 3.41Å
350	I	93.2	Very high	90.2	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-36.7	-174.5	-175.9	173.7	0	0	0	113.1	Y244 F264 L323 F336 G352 F353 L354	Y244-I350 HydrophobicContact CD1-CD1 3.8Å; Y244-I350 HydrophobicContact CD1-CG1 4.33Å; Y244-I350 HydrophobicContact CD2-CD1 4.17Å; Y244-I350 HydrophobicContact CD2-CG1 4.07Å; Y244-I350 HydrophobicContact CE1-CB 4.2Å; Y244-I350 HydrophobicContact CE1-CD1 4.19Å; Y244-I350 HydrophobicContact CE1-CG1 4.34Å; Y244-I350 HydrophobicContact CE2-CB 4.28Å; Y244-I350 HydrophobicContact CE2-CG1 4.09Å; Y244-I350 HydrophobicContact CG-CD1 3.78Å; Y244-I350 HydrophobicContact CG-CG1 4.19Å; F264-I350 HydrophobicContact CE1-CD1 4.11Å; F264-I350 HydrophobicContact CZ-CD1 4.05Å; L323-I350 HydrophobicContact CD1-CG2 4.25Å; L323-I350 HydrophobicContact CD2-CD1 4.44Å; L323-I350 HydrophobicContact CD2-CG2 3.99Å; F336-I350 HydrophobicContact CD1-CD1 3.73Å; F336-I350 HydrophobicContact CD2-CG2 4.23Å; F336-I350 HydrophobicContact CE1-CD1 3.53Å; F336-I350 HydrophobicContact CG-CD1 4.43Å; F336-I350 HydrophobicContact CG-CG2 4.27Å; F336-I350 HydrophobicContact CZ-CD1 4.09Å; I350-G352 PolarHBondContact O-N 3.22Å; I350-F353 WeakPolarHBondContact O-CB 3.36Å; I350-F353 PolarHBondContact O-N 3.12Å; I350-L354 HydrophobicContact CG1-CD1 4.08Å; I350-L354 HydrophobicContact CG1-CG 4.34Å; I350-L354 WeakPolarHBondContact O-CG 3.43Å; I350-L354 PolarHBondContact O-N 3.29Å
351	D	88.9	Confident	90.1	Very high	85 Å²	85	51.9 Å²	51.9	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-59.5	-43	175.8	59.2	-23.6	0	0	0	112.2	L323 A349 F353 L354 L355	L323-D351 HydrophobicContact CD1-CB 4.35Å; A349-D351 VanDerWaalsContact C-N 3.25Å; A349-D351 WeakPolarHBondContact CB-OD1 3.47Å; A349-D351 PolarHBondContact O-N 3.48Å; D351-F353 VanDerWaalsContact C-N 3.32Å; D351-F353 PolarHBondContact O-N 3.38Å; D351-L354 PolarHBondContact O-N 3.15Å; D351-L355 PolarHBondContact O-N 2.99Å
352	G	87.4	Confident	89.8	Confident	24 Å²	24	47.2 Å²	47.2	25%	0.247	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-36.3	174.8	0	0	0	0	0	113.1	A349 I350 L355	A349-G352 PolarHBondContact O-N 3.2Å; A349-G352 VanDerWaalsContact O-N 3.1Å; I350-G352 PolarHBondContact O-N 3.22Å; G352-L355 PolarHBondContact O-N 3.29Å
353	F	92.4	Very high	89.5	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-41.5	173.6	-85.3	-78	0	0	0	112.4	H236 I240 Y244 M345 I346 I348 A349 I350 D351 L355 T356	H236-F353 HydrophobicContact CB-CD1 4.38Å; H236-F353 HydrophobicContact CB-CE1 4.47Å; H236-F353 AromaticContact ND1-CE1 3.77Å; I240-F353 HydrophobicContact CD1-CB 3.95Å; I240-F353 HydrophobicContact CD1-CD1 4.47Å; I240-F353 WeakPolarHBondContact CD1-O 3.37Å; I240-F353 HydrophobicContact CG1-CB 3.95Å; I240-F353 HydrophobicContact CG1-CD1 4.35Å; I240-F353 HydrophobicContact CG1-CG 4.46Å; Y244-F353 HydrophobicContact CE2-CD2 4.48Å; M345-F353 HydrophobicContact CB-CE2 4.09Å; M345-F353 HydrophobicContact CB-CZ 3.83Å; M345-F353 HydrophobicContact CG-CE2 4.46Å; M345-F353 HydrophobicContact CG-CZ 4.03Å; M345-F353 HydrophobicContact SD-CD2 4.4Å; M345-F353 HydrophobicContact SD-CE1 4.32Å; M345-F353 HydrophobicContact SD-CE2 3.98Å; M345-F353 HydrophobicContact SD-CZ 3.94Å; I346-F353 HydrophobicContact CG1-CE2 4.4Å; I346-F353 HydrophobicContact CG1-CZ 3.74Å; I348-F353 HydrophobicContact CB-CD2 4.2Å; I348-F353 HydrophobicContact CB-CE2 3.87Å; I348-F353 HydrophobicContact CG2-CD2 4.17Å; I348-F353 HydrophobicContact CG2-CE2 4.34Å; I348-F353 WeakPolarHBondContact O-CE2 3.21Å; A349-F353 PolarHBondContact O-N 3.41Å; I350-F353 WeakPolarHBondContact O-CB 3.36Å; I350-F353 PolarHBondContact O-N 3.12Å; D351-F353 VanDerWaalsContact C-N 3.32Å; D351-F353 PolarHBondContact O-N 3.38Å; F353-L355 PolarHBondContact O-N 3.19Å; F353-T356 WeakPolarHBondContact O-CB 3.33Å; F353-T356 WeakPolarHBondContact O-CG2 3.5Å; F353-T356 PolarHBondContact O-N 3.41Å; F353-T356 VanDerWaalsContact O-N 3.09Å; F353-T356 PolarHBondContact O-OG1 3.2Å
354	L	93.9	Very high	89.9	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-70.1	-15.1	177.4	-65.9	172.3	0	0	0	113	I240 I263 F264 Y312 H316 L323 I350 D351 T356 P357	I240-L354 HydrophobicContact CG2-CD2 4.01Å; I263-L354 HydrophobicContact CG2-CD1 4.1Å; F264-L354 HydrophobicContact CD1-CD2 4.05Å; F264-L354 HydrophobicContact CE1-CD2 4.44Å; Y312-L354 WeakPolarHBondContact CE1-O 3.44Å; Y312-L354 WeakPolarHBondContact OH-CA 3.39Å; Y312-L354 WeakPolarHBondContact OH-CD2 3.32Å; Y312-L354 PolarHBondContact OH-O 3.47Å; H316-L354 PolarHBondContact CE1-O 3.43Å; H316-L354 VanDerWaalsContact CE1-O 3.3Å; H316-L354 PolarHBondContact ND1-O 3.43Å; L323-L354 HydrophobicContact CD1-CD1 3.55Å; I350-L354 HydrophobicContact CG1-CD1 4.08Å; I350-L354 HydrophobicContact CG1-CG 4.34Å; I350-L354 WeakPolarHBondContact O-CG 3.43Å; I350-L354 PolarHBondContact O-N 3.29Å; D351-L354 PolarHBondContact O-N 3.15Å; L354-T356 VanDerWaalsContact C-N 3.31Å; L354-P357 WeakPolarHBondContact O-CD 3.34Å
355	L	91.8	Very high	90	Very high	56 Å²	56	34.2 Å²	34.2	29%	0.293	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-18.8	171.3	-172.9	62.1	0	0	0	112.6	H316 D351 G352 F353 V358 Q359	H316-L355 WeakPolarHBondContact NE2-CD1 3.43Å; D351-L355 PolarHBondContact O-N 2.99Å; G352-L355 PolarHBondContact O-N 3.29Å; F353-L355 PolarHBondContact O-N 3.19Å; L355-V358 HydrophobicContact CD1-CB 4.15Å; L355-V358 HydrophobicContact CD1-CG1 4.39Å; L355-V358 WeakPolarHBondContact O-CB 3.46Å; L355-V358 PolarHBondContact O-N 3.02Å; L355-Q359 HydrophobicContact CG-CG 4.07Å; L355-Q359 PolarHBondContact O-N 3.04Å
356	T	92.7	Very high	90.1	Very high	20 Å²	20	34.4 Å²	34.4	12%	0.123	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-37.7	-172.6	62.1	0	0	0	0	114.9	F353 L354 Q359 K360	F353-T356 WeakPolarHBondContact O-CB 3.33Å; F353-T356 WeakPolarHBondContact O-CG2 3.5Å; F353-T356 PolarHBondContact O-N 3.41Å; F353-T356 VanDerWaalsContact O-N 3.09Å; F353-T356 PolarHBondContact O-OG1 3.2Å; L354-T356 VanDerWaalsContact C-N 3.31Å; T356-Q359 PolarHBondContact O-N 3.12Å; T356-K360 WeakPolarHBondContact O-CB 3.49Å; T356-K360 PolarHBondContact O-N 3.2Å
357	P	96.3	Very high	90.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.6	-38.1	176.3	-21.1	35.6	0	0	0	112.8	Y233 L237 I267 I270 Y309 Y312 L354 Q359 K360 I361	Y233-P357 HydrophobicContact CE2-CG 4.38Å; Y233-P357 WeakPolarHBondContact OH-CA 3.45Å; Y233-P357 WeakPolarHBondContact OH-CB 3.4Å; L237-P357 HydrophobicContact CD2-CG 4.1Å; I267-P357 HydrophobicContact CD1-CG 3.56Å; I270-P357 HydrophobicContact CD1-CB 4.14Å; Y309-P357 HydrophobicContact CD1-CB 4.15Å; Y309-P357 HydrophobicContact CE1-CB 3.8Å; Y312-P357 HydrophobicContact CD1-CB 3.85Å; Y312-P357 HydrophobicContact CD1-CG 4.24Å; Y312-P357 HydrophobicContact CE1-CB 3.69Å; Y312-P357 HydrophobicContact CE1-CG 3.6Å; L354-P357 WeakPolarHBondContact O-CD 3.34Å; P357-Q359 VanDerWaalsContact C-N 3.33Å; P357-Q359 PolarHBondContact O-N 3.37Å; P357-K360 PolarHBondContact O-N 3.4Å; P357-I361 PolarHBondContact O-N 2.93Å; P357-I361 VanDerWaalsContact O-N 3.1Å
358	V	89.8	Confident	91.1	Very high	16 Å²	16	24.2 Å²	24.2	10%	0.097	14%	0.138	C	C	.	.	H	α-helix	trans	-62.8	-41.9	175.7	-177.4	0	0	0	0	110.2	W129 Y312 H316 L355 I361	W129-V358 HydrophobicContact CH2-CG1 4.13Å; W129-V358 HydrophobicContact CZ2-CG1 3.66Å; Y312-V358 HydrophobicContact CD1-CG2 4.02Å; Y312-V358 HydrophobicContact CE1-CG2 4.03Å; H316-V358 HydrophobicContact CB-CG2 4.33Å; L355-V358 HydrophobicContact CD1-CB 4.15Å; L355-V358 HydrophobicContact CD1-CG1 4.39Å; L355-V358 WeakPolarHBondContact O-CB 3.46Å; L355-V358 PolarHBondContact O-N 3.02Å; V358-I361 WeakPolarHBondContact O-CG2 3.47Å
359	Q	86.1	Confident	91.4	Very high	48 Å²	48	23 Å²	23	22%	0.224	14%	0.136	C	C	.	.	H	α-helix	trans	-67.6	-39	174.4	-68.9	172.6	-12.8	0	0	112.1	L355 T356 P357 C362 K363	L355-Q359 HydrophobicContact CG-CG 4.07Å; L355-Q359 PolarHBondContact O-N 3.04Å; T356-Q359 PolarHBondContact O-N 3.12Å; P357-Q359 VanDerWaalsContact C-N 3.33Å; P357-Q359 PolarHBondContact O-N 3.37Å; Q359-C362 PolarHBondContact O-N 3.06Å; Q359-K363 WeakPolarHBondContact O-CG 3.35Å; Q359-K363 PolarHBondContact O-N 3.49Å
360	K	94.7	Very high	91.6	Very high	10 Å²	10	21 Å²	21	4%	0.043	12%	0.117	C	C	.	.	H	α-helix	trans	-68.7	-44.6	-172.4	-174.5	56	174.7	165.7	0	112.1	E230 Y233 T356 P357 C362 K363 Y364	E230-K360 WeakPolarHBondContact OE1-CE 3.33Å; E230-K360 IonicContact OE1-NZ 3.71Å; E230-K360 PolarHBondContact OE1-NZ 3.27Å; Y233-K360 HydrophobicContact CD1-CB 4.42Å; Y233-K360 HydrophobicContact CD1-CD 4.35Å; Y233-K360 HydrophobicContact CD1-CG 3.7Å; Y233-K360 HydrophobicContact CD2-CB 4.18Å; Y233-K360 HydrophobicContact CD2-CG 4.25Å; Y233-K360 HydrophobicContact CE1-CB 4.13Å; Y233-K360 HydrophobicContact CE1-CG 3.68Å; Y233-K360 HydrophobicContact CE2-CB 3.9Å; Y233-K360 HydrophobicContact CE2-CG 4.24Å; Y233-K360 HydrophobicContact CG-CB 4.43Å; Y233-K360 HydrophobicContact CG-CD 4.36Å; Y233-K360 HydrophobicContact CG-CG 3.99Å; T356-K360 WeakPolarHBondContact O-CB 3.49Å; T356-K360 PolarHBondContact O-N 3.2Å; P357-K360 PolarHBondContact O-N 3.4Å; K360-C362 PolarHBondContact O-N 3.25Å; K360-C362 VanDerWaalsContact O-N 3.15Å; K360-K363 PolarHBondContact O-N 3.05Å; K360-Y364 HydrophobicContact CD-CE1 4.42Å; K360-Y364 VanDerWaalsContact CE-CE1 3.49Å; K360-Y364 WeakPolarHBondContact CE-OH 3.49Å; K360-Y364 HydrophobicContact CG-CE2 3.97Å; K360-Y364 PolarHBondContact O-N 3.01Å
361	I	93.4	Very high	91.7	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-60.1	-28.1	-179.6	-166.8	59.4	0	0	0	112.6	F306 Y309 P357 V358 Y364 M392 V395 T396 I399	F306-I361 HydrophobicContact CB-CD1 4.21Å; F306-I361 HydrophobicContact CD1-CD1 3.87Å; F306-I361 HydrophobicContact CG-CD1 4.36Å; Y309-I361 HydrophobicContact CD1-CB 3.84Å; Y309-I361 HydrophobicContact CD1-CG1 4.33Å; Y309-I361 HydrophobicContact CD1-CG2 4.32Å; Y309-I361 HydrophobicContact CD2-CD1 4.29Å; Y309-I361 HydrophobicContact CE1-CB 4.31Å; Y309-I361 HydrophobicContact CG-CB 4.22Å; Y309-I361 HydrophobicContact CG-CD1 4.18Å; Y309-I361 HydrophobicContact CG-CG1 4.2Å; P357-I361 PolarHBondContact O-N 2.93Å; P357-I361 VanDerWaalsContact O-N 3.1Å; V358-I361 WeakPolarHBondContact O-CG2 3.47Å; I361-Y364 HydrophobicContact CD1-CD2 4.19Å; I361-Y364 HydrophobicContact CD1-CE2 4.49Å; I361-M392 HydrophobicContact CD1-CE 3.84Å; I361-V395 HydrophobicContact CD1-CG1 3.95Å; I361-V395 HydrophobicContact CG1-CG1 4.36Å; I361-T396 PolarHBondContact O-OG1 3.19Å; I361-T396 VanDerWaalsContact O-OG1 3.12Å; I361-I399 HydrophobicContact CD1-CD1 4.45Å; I361-I399 HydrophobicContact CG1-CD1 3.68Å
362	C	86.5	Confident	92.1	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.034	10%	0.103	C	C	.	.	H	α-helix	trans	-87.5	-15.2	177.4	-57.2	0	0	0	0	114.1	V128 W129 Q359 K360 T396	V128-C362 HydrophobicContact CG1-CB 3.33Å; W129-C362 WeakPolarHBondContact CH2-SG 3.24Å; W129-C362 HydrophobicContact CZ2-CB 4.14Å; W129-C362 WeakPolarHBondContact CZ2-SG 3.23Å; Q359-C362 PolarHBondContact O-N 3.06Å; K360-C362 PolarHBondContact O-N 3.25Å; K360-C362 VanDerWaalsContact O-N 3.15Å; C362-T396 HydrophobicContact CB-CG2 4.19Å; C362-T396 VanDerWaalsContact SG-CG2 3.51Å
363	K	87.8	Confident	92.5	Very high	81 Å²	81	22.1 Å²	22.1	35%	0.352	11%	0.112	S	C	.	.	H	α-helix	trans	-79.9	-27.2	176.2	-75.3	173.9	-179.1	-177.4	0	112.5	Q359 K360 L366 Q367	Q359-K363 WeakPolarHBondContact O-CG 3.35Å; Q359-K363 PolarHBondContact O-N 3.49Å; K360-K363 PolarHBondContact O-N 3.05Å; K363-L366 WeakPolarHBondContact O-CB 3.06Å; K363-L366 PolarHBondContact O-N 3.18Å; K363-L366 VanDerWaalsContact O-N 3.11Å; K363-Q367 WeakPolarHBondContact O-CG 3.37Å; K363-Q367 PolarHBondContact O-N 3.19Å
364	Y	96.9	Very high	92.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.8	-47.2	-177	-69.7	-56.1	0	0	0	114.3	E230 F277 F299 F306 K360 I361 L366 Q367 L368 M392	E230-Y364 VanDerWaalsContact OE1-CE1 3.31Å; E230-Y364 WeakPolarHBondContact OE1-CE1 3.1Å; E230-Y364 PolarHBondContact OE2-OH 3.37Å; F277-Y364 HydrophobicContact CE1-CE1 4.18Å; F299-Y364 AromaticContact CE1-CD1 3.48Å; F299-Y364 HydrophobicContact CE1-CD1 3.48Å; F299-Y364 VanDerWaalsContact CE1-CD1 3.48Å; F299-Y364 AromaticContact CE1-CE1 3.87Å; F299-Y364 HydrophobicContact CE1-CE1 3.87Å; F299-Y364 AromaticContact CE1-CG 3.93Å; F299-Y364 HydrophobicContact CE1-CG 3.93Å; F299-Y364 AromaticContact CZ-CD1 3.82Å; F299-Y364 HydrophobicContact CZ-CD1 3.82Å; F299-Y364 HydrophobicContact CZ-CE1 4.11Å; F306-Y364 HydrophobicContact CD1-CE2 4.26Å; F306-Y364 HydrophobicContact CE1-CD2 4.15Å; F306-Y364 AromaticContact CE1-CE2 3.61Å; F306-Y364 HydrophobicContact CE1-CE2 3.61Å; F306-Y364 HydrophobicContact CZ-CE2 4.43Å; K360-Y364 HydrophobicContact CD-CE1 4.42Å; K360-Y364 VanDerWaalsContact CE-CE1 3.49Å; K360-Y364 WeakPolarHBondContact CE-OH 3.49Å; K360-Y364 HydrophobicContact CG-CE2 3.97Å; K360-Y364 PolarHBondContact O-N 3.01Å; I361-Y364 HydrophobicContact CD1-CD2 4.19Å; I361-Y364 HydrophobicContact CD1-CE2 4.49Å; Y364-L366 PolarHBondContact O-N 3.33Å; Y364-Q367 PolarHBondContact O-N 3.26Å; Y364-L368 WeakPolarHBondContact O-CB 3.21Å; Y364-L368 WeakPolarHBondContact O-CG 3.42Å; Y364-L368 PolarHBondContact O-N 2.96Å; Y364-M392 HydrophobicContact CD2-CE 3.57Å; Y364-M392 HydrophobicContact CE2-CE 4.44Å; Y364-M392 HydrophobicContact CG-CE 3.95Å
365	P	92.3	Very high	92.7	Very high	11 Å²	11	23.6 Å²	23.6	7%	0.071	12%	0.119	C	C	.	.	H	α-helix	trans	-56.2	-38.7	175.1	-27.6	36.7	0	0	0	113.2	A369 L389 M392 R393	P365-A369 VanDerWaalsContact O-CB 3.26Å; P365-A369 WeakPolarHBondContact O-CB 3.49Å; P365-A369 PolarHBondContact O-N 3.28Å; P365-L389 HydrophobicContact CB-CD1 4.23Å; P365-L389 WeakPolarHBondContact O-CD1 3.3Å; P365-M392 HydrophobicContact CG-CB 4.13Å; P365-R393 HydrophobicContact CB-CG 3.87Å; P365-R393 HydrophobicContact CG-CG 4.35Å
366	L	87.1	Confident	92.9	Very high	16 Å²	16	21.4 Å²	21.4	8%	0.084	11%	0.109	C	C	.	.	H	α-helix	trans	-72.9	-38.7	-177.2	-51.1	-178.6	0	0	0	111.8	E126 V128 R175 K363 Y364 E370	E126-L366 VanDerWaalsContact CD-CD2 3.49Å; E126-L366 HydrophobicContact CG-CD2 4.4Å; E126-L366 VanDerWaalsContact OE1-CD2 3.27Å; E126-L366 WeakPolarHBondContact OE1-CD2 3.44Å; V128-L366 HydrophobicContact CB-CD1 4.5Å; V128-L366 HydrophobicContact CG1-CD1 4.4Å; V128-L366 HydrophobicContact CG2-CD1 3.76Å; R175-L366 HydrophobicContact CB-CD1 3.92Å; R175-L366 HydrophobicContact CG-CD1 4.47Å; R175-L366 VanDerWaalsContact NH1-C 3.29Å; R175-L366 PolarHBondContact NH1-O 2.86Å; R175-L366 PolarHBondContact NH2-O 2.8Å; K363-L366 WeakPolarHBondContact O-CB 3.06Å; K363-L366 PolarHBondContact O-N 3.18Å; K363-L366 VanDerWaalsContact O-N 3.11Å; Y364-L366 PolarHBondContact O-N 3.33Å; L366-E370 WeakPolarHBondContact O-CB 3.45Å; L366-E370 PolarHBondContact O-N 3.15Å; L366-E370 VanDerWaalsContact O-N 3.1Å
367	Q	90.9	Very high	93	Very high	7 Å²	7	28 Å²	28	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-67.5	-41.6	175.6	-68.7	-178.2	-60.5	0	0	111.2	I226 T229 K363 Y364 E370 L371	I226-Q367 HydrophobicContact CD1-CB 4.18Å; I226-Q367 HydrophobicContact CG1-CB 4Å; I226-Q367 HydrophobicContact CG1-CG 4.46Å; T229-Q367 PolarHBondContact OG1-NE2 2.83Å; K363-Q367 WeakPolarHBondContact O-CG 3.37Å; K363-Q367 PolarHBondContact O-N 3.19Å; Y364-Q367 PolarHBondContact O-N 3.26Å; Q367-E370 PolarHBondContact O-N 3.23Å; Q367-L371 WeakPolarHBondContact O-CB 3.38Å; Q367-L371 PolarHBondContact O-N 3.48Å
368	L	97.3	Very high	93	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-70.5	-34.7	177.1	-70.7	170.2	0	0	0	112.8	F299 Y364 L371 L372 V385 A388 L389 M392	F299-L368 HydrophobicContact CD1-CD1 4.09Å; F299-L368 HydrophobicContact CD2-CD2 4.03Å; F299-L368 HydrophobicContact CE1-CD1 4.17Å; F299-L368 HydrophobicContact CE2-CD2 3.87Å; F299-L368 HydrophobicContact CG-CD1 4.28Å; F299-L368 HydrophobicContact CZ-CD1 4.44Å; F299-L368 HydrophobicContact CZ-CD2 4.24Å; F299-L368 HydrophobicContact CZ-CG 4.44Å; Y364-L368 WeakPolarHBondContact O-CB 3.21Å; Y364-L368 WeakPolarHBondContact O-CG 3.42Å; Y364-L368 PolarHBondContact O-N 2.96Å; L368-L371 PolarHBondContact O-N 3.49Å; L368-L372 WeakPolarHBondContact O-CB 3.29Å; L368-L372 PolarHBondContact O-N 3.15Å; L368-V385 HydrophobicContact CD2-CG1 4.43Å; L368-A388 HydrophobicContact CD1-CB 4.05Å; L368-A388 HydrophobicContact CD2-CB 4.4Å; L368-L389 HydrophobicContact CB-CB 4.09Å; L368-L389 HydrophobicContact CB-CD1 4.06Å; L368-M392 HydrophobicContact CD1-CB 4.08Å; L368-M392 HydrophobicContact CD1-CG 3.66Å
369	A	91.8	Very high	93.3	Very high	30 Å²	30	35.6 Å²	35.6	25%	0.248	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-44.5	174	0	0	0	0	0	111.7	P365 L371 L372 K373 L389	P365-A369 VanDerWaalsContact O-CB 3.26Å; P365-A369 WeakPolarHBondContact O-CB 3.49Å; P365-A369 PolarHBondContact O-N 3.28Å; A369-L371 VanDerWaalsContact C-N 3.32Å; A369-L371 PolarHBondContact O-N 2.97Å; A369-L372 PolarHBondContact O-N 2.85Å; A369-K373 PolarHBondContact O-N 2.75Å; A369-L389 HydrophobicContact CB-CD1 4.07Å; A369-L389 HydrophobicContact CB-CD2 4.07Å
370	E	92.3	Very high	93.9	Very high	19 Å²	19	36.5 Å²	36.5	9%	0.089	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-40.9	175.1	-168.2	70	179.4	0	0	111.1	N179 V222 L366 Q367 L372 K373 Y374	N179-E370 PolarHBondContact ND2-OE1 3Å; V222-E370 HydrophobicContact CG1-CB 4.49Å; V222-E370 HydrophobicContact CG1-CG 4.5Å; V222-E370 HydrophobicContact CG2-CG 3.78Å; L366-E370 WeakPolarHBondContact O-CB 3.45Å; L366-E370 PolarHBondContact O-N 3.15Å; L366-E370 VanDerWaalsContact O-N 3.1Å; Q367-E370 PolarHBondContact O-N 3.23Å; E370-L372 PolarHBondContact O-N 2.77Å; E370-K373 WeakPolarHBondContact O-CB 3.38Å; E370-K373 PolarHBondContact O-N 3.01Å; E370-Y374 HydrophobicContact CG-CE2 4.27Å; E370-Y374 VanDerWaalsContact O-CD2 3.32Å; E370-Y374 WeakPolarHBondContact O-CD2 3.37Å; E370-Y374 WeakPolarHBondContact OE1-CE2 3.22Å
371	L	96.1	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-48	175	-176.9	62.6	0	0	0	111	R219 V222 I223 I226 I295 Q367 L368 A369 K373 Y374 T375 V385	R219-L371 HydrophobicContact CG-CD1 3.92Å; V222-L371 HydrophobicContact CB-CD1 4.32Å; V222-L371 HydrophobicContact CG1-CB 3.87Å; V222-L371 HydrophobicContact CG1-CD1 4.07Å; I223-L371 HydrophobicContact CD1-CD1 3.63Å; I223-L371 HydrophobicContact CD1-CD2 4Å; I223-L371 HydrophobicContact CD1-CG 4.49Å; I223-L371 HydrophobicContact CG1-CD1 3.94Å; I226-L371 HydrophobicContact CD1-CD2 4.43Å; I295-L371 HydrophobicContact CD1-CD2 3.84Å; I295-L371 HydrophobicContact CG1-CD2 3.86Å; Q367-L371 WeakPolarHBondContact O-CB 3.38Å; Q367-L371 PolarHBondContact O-N 3.48Å; L368-L371 PolarHBondContact O-N 3.49Å; A369-L371 VanDerWaalsContact C-N 3.32Å; A369-L371 PolarHBondContact O-N 2.97Å; L371-K373 VanDerWaalsContact C-N 3.29Å; L371-K373 PolarHBondContact O-N 3.26Å; L371-Y374 CarbonylContact O-C 3.49Å; L371-Y374 PolarHBondContact O-N 3.05Å; L371-Y374 VanDerWaalsContact O-N 3.15Å; L371-T375 PolarHBondContact O-N 3.3Å; L371-T375 PolarHBondContact O-OG1 3.39Å; L371-V385 HydrophobicContact CB-CG1 4.3Å; L371-V385 HydrophobicContact CD2-CG1 3.99Å; L371-V385 HydrophobicContact CD2-CG2 3.78Å; L371-V385 HydrophobicContact CG-CG1 4.14Å; L371-V385 HydrophobicContact CG-CG2 4.38Å
372	L	96.7	Very high	94.3	Very high	36 Å²	36	39 Å²	39	19%	0.188	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-36.9	180	-169.5	63.2	0	0	0	112.2	L368 A369 E370 Y374 T375 Y382 V385 A386 L389	L368-L372 WeakPolarHBondContact O-CB 3.29Å; L368-L372 PolarHBondContact O-N 3.15Å; A369-L372 PolarHBondContact O-N 2.85Å; E370-L372 PolarHBondContact O-N 2.77Å; L372-Y374 PolarHBondContact O-N 3.46Å; L372-T375 PolarHBondContact O-N 2.89Å; L372-T375 VanDerWaalsContact O-N 3.09Å; L372-Y382 HydrophobicContact CD1-CD2 3.81Å; L372-Y382 HydrophobicContact CD1-CE2 3.64Å; L372-Y382 HydrophobicContact CD1-CG 4.44Å; L372-Y382 HydrophobicContact CG-CE2 4.46Å; L372-V385 HydrophobicContact CB-CG1 3.96Å; L372-V385 HydrophobicContact CD1-CB 4.32Å; L372-V385 HydrophobicContact CD1-CG1 4.12Å; L372-A386 HydrophobicContact CD1-CB 4.06Å; L372-A386 HydrophobicContact CD2-CB 4.11Å; L372-L389 HydrophobicContact CD2-CD2 4.01Å
373	K	95	Very high	94.9	Very high	101 Å²	101	48.6 Å²	48.6	44%	0.439	23%	0.234	S	C	.	.	H	α-helix	trans	-53.5	-39.2	175.6	-176.1	-178.7	178.9	-179.3	0	111.8	E181 A369 E370 L371	E181-K373 IonicContact OE1-NZ 3.36Å; E181-K373 PolarHBondContact OE1-NZ 2.77Å; A369-K373 PolarHBondContact O-N 2.75Å; E370-K373 WeakPolarHBondContact O-CB 3.38Å; E370-K373 PolarHBondContact O-N 3.01Å; L371-K373 VanDerWaalsContact C-N 3.29Å; L371-K373 PolarHBondContact O-N 3.26Å
374	Y	95.6	Very high	95.4	Very high	30 Å²	30	50.2 Å²	50.2	12%	0.118	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	13.7	-178.6	-58.5	-67.5	0	0	0	113.9	N179 R215 M218 V222 E370 L371 L372	N179-Y374 PolarHBondContact ND2-OH 2.9Å; R215-Y374 HydrophobicContact CG-CD1 4.05Å; M218-Y374 HydrophobicContact CB-CD1 3.65Å; M218-Y374 HydrophobicContact CB-CD2 4.11Å; M218-Y374 HydrophobicContact CB-CE1 3.91Å; M218-Y374 HydrophobicContact CB-CE2 4.34Å; M218-Y374 HydrophobicContact CB-CG 3.76Å; M218-Y374 HydrophobicContact CE-CE1 4.19Å; M218-Y374 HydrophobicContact CE-CE2 4.34Å; M218-Y374 HydrophobicContact CG-CD1 4.33Å; M218-Y374 HydrophobicContact CG-CE1 4.19Å; V222-Y374 HydrophobicContact CG2-CD2 4.2Å; E370-Y374 HydrophobicContact CG-CE2 4.27Å; E370-Y374 VanDerWaalsContact O-CD2 3.32Å; E370-Y374 WeakPolarHBondContact O-CD2 3.37Å; E370-Y374 WeakPolarHBondContact OE1-CE2 3.22Å; L371-Y374 CarbonylContact O-C 3.49Å; L371-Y374 PolarHBondContact O-N 3.05Å; L371-Y374 VanDerWaalsContact O-N 3.15Å; L372-Y374 PolarHBondContact O-N 3.46Å
375	T	96.3	Very high	95.5	Very high	7 Å²	7	50.2 Å²	50.2	4%	0.043	24%	0.239	C	C	.	.			trans	-102.4	125.5	178.2	-50.9	0	0	0	0	110.8	R219 L371 L372 H379 Y382	R219-T375 PolarHBondContact NH1-OG1 2.95Å; L371-T375 PolarHBondContact O-N 3.3Å; L371-T375 PolarHBondContact O-OG1 3.39Å; L372-T375 PolarHBondContact O-N 2.89Å; L372-T375 VanDerWaalsContact O-N 3.09Å; T375-H379 HydrophobicContact CG2-CB 3.77Å; T375-Y382 HydrophobicContact CG2-CD2 3.95Å; T375-Y382 HydrophobicContact CG2-CG 4.48Å; T375-Y382 WeakPolarHBondContact O-CD2 3.47Å
376	A	95.1	Very high	95.7	Very high	10 Å²	10	51.4 Å²	51.4	8%	0.083	25%	0.249	C	C	.	.			trans	-64.5	146.2	175.7	0	0	0	0	0	111.5	D378 H379 Y382	A376-D378 WeakPolarHBondContact CB-OD1 3.21Å; A376-D378 PolarHBondContact O-N 2.99Å; A376-H379 HydrophobicContact CB-CB 4.06Å; A376-H379 WeakPolarHBondContact O-CB 3.41Å; A376-H379 PolarHBondContact O-N 3.35Å; A376-Y382 VanDerWaalsContact O-CB 3.3Å; A376-Y382 WeakPolarHBondContact O-CB 3.18Å; A376-Y382 WeakPolarHBondContact O-CD2 3.4Å
377	Q	95.4	Very high	96.3	Very high	158 Å²	158	52.5 Å²	52.5	74%	0.738	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.8	178.4	-70.3	-177.3	-2	0	0	113.5	Y382	Q377-Y382 HydrophobicContact CG-CE1 4.19Å; Q377-Y382 HydrophobicContact CG-CE2 4.01Å
378	D	95	Very high	96.6	Very high	147 Å²	147	52.2 Å²	52.2	79%	0.786	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-8.1	175.9	59.9	-35.4	0	0	0	113.3	A376 S380	A376-D378 WeakPolarHBondContact CB-OD1 3.21Å; A376-D378 PolarHBondContact O-N 2.99Å; D378-S380 PolarHBondContact O-N 3.4Å
379	H	98	Very high	96.7	Very high	30 Å²	30	52.7 Å²	52.7	14%	0.139	26%	0.262	C	S	.	.	S	Bend	trans	-64.4	134.7	172.7	-168.8	-66.2	0	0	0	109.8	R219 H291 T375 A376 D381 Y382	R219-H379 PolarHBondContact NE-NE2 2.87Å; R219-H379 PolarHBondContact NH2-CE1 3.24Å; R219-H379 VanDerWaalsContact NH2-CE1 3.34Å; H291-H379 PolarHBondContact O-NE2 3.04Å; T375-H379 HydrophobicContact CG2-CB 3.77Å; A376-H379 HydrophobicContact CB-CB 4.06Å; A376-H379 WeakPolarHBondContact O-CB 3.41Å; A376-H379 PolarHBondContact O-N 3.35Å; H379-D381 VanDerWaalsContact C-N 3.28Å; H379-D381 VanDerWaalsContact ND1-CB 3.33Å; H379-D381 WeakPolarHBondContact ND1-CB 3.25Å; H379-D381 PolarHBondContact ND1-N 3.48Å; H379-D381 PolarHBondContact O-N 2.86Å; H379-Y382 VanDerWaalsContact O-CB 3.25Å; H379-Y382 WeakPolarHBondContact O-CB 2.97Å; H379-Y382 PolarHBondContact O-N 3.07Å
380	S	97.8	Very high	96.8	Very high	66 Å²	66	54 Å²	54	46%	0.462	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-44.4	-179.6	49.5	0	0	0	0	113.1	E294 D378 Y382 Y384	E294-S380 WeakPolarHBondContact OE1-CB 3.44Å; E294-S380 PolarHBondContact OE1-OG 3.28Å; D378-S380 PolarHBondContact O-N 3.4Å; S380-Y382 VanDerWaalsContact C-N 3.34Å; S380-Y382 PolarHBondContact O-N 3.18Å; S380-Y384 WeakPolarHBondContact O-CD2 2.8Å
381	D	98.3	Very high	97	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.6	177.9	-157.6	26.2	0	0	0	115.4	R219 E294 I295 G296 P297 H379 R383 Y384 V385	R219-D381 IonicContact CZ-OD2 3.3Å; R219-D381 IonicContact NH1-OD2 3.95Å; R219-D381 IonicContact NH2-OD2 3.68Å; R219-D381 PolarHBondContact NH2-OD2 3.23Å; E294-D381 HydrophobicContact CB-CB 4.35Å; E294-D381 HydrophobicContact CG-CB 4.22Å; I295-D381 PolarHBondContact N-OD2 3.05Å; G296-D381 WeakPolarHBondContact CA-OD1 3.29Å; G296-D381 PolarHBondContact N-OD1 3.33Å; P297-D381 WeakPolarHBondContact CD-OD1 3.17Å; H379-D381 VanDerWaalsContact C-N 3.28Å; H379-D381 VanDerWaalsContact ND1-CB 3.33Å; H379-D381 WeakPolarHBondContact ND1-CB 3.25Å; H379-D381 PolarHBondContact ND1-N 3.48Å; H379-D381 PolarHBondContact O-N 2.86Å; D381-R383 PolarHBondContact O-N 2.62Å; D381-Y384 PolarHBondContact O-N 3.35Å; D381-Y384 VanDerWaalsContact O-N 3.09Å; D381-V385 HydrophobicContact CB-CG2 4.34Å; D381-V385 VanDerWaalsContact CG-CG2 3.46Å; D381-V385 WeakPolarHBondContact O-CG2 3.3Å; D381-V385 PolarHBondContact O-N 3.09Å; D381-V385 WeakPolarHBondContact OD2-CG2 3.39Å
382	Y	98.4	Very high	97	Very high	64 Å²	64	54.5 Å²	54.5	25%	0.251	28%	0.277	S	S	.	.	H	α-helix	trans	-55.5	-50.1	-170	-178.9	-94	0	0	0	113.5	L372 T375 A376 Q377 H379 S380 Y384 V385 A386	L372-Y382 HydrophobicContact CD1-CD2 3.81Å; L372-Y382 HydrophobicContact CD1-CE2 3.64Å; L372-Y382 HydrophobicContact CD1-CG 4.44Å; L372-Y382 HydrophobicContact CG-CE2 4.46Å; T375-Y382 HydrophobicContact CG2-CD2 3.95Å; T375-Y382 HydrophobicContact CG2-CG 4.48Å; T375-Y382 WeakPolarHBondContact O-CD2 3.47Å; A376-Y382 VanDerWaalsContact O-CB 3.3Å; A376-Y382 WeakPolarHBondContact O-CB 3.18Å; A376-Y382 WeakPolarHBondContact O-CD2 3.4Å; Q377-Y382 HydrophobicContact CG-CE1 4.19Å; Q377-Y382 HydrophobicContact CG-CE2 4.01Å; H379-Y382 VanDerWaalsContact O-CB 3.25Å; H379-Y382 WeakPolarHBondContact O-CB 2.97Å; H379-Y382 PolarHBondContact O-N 3.07Å; S380-Y382 VanDerWaalsContact C-N 3.34Å; S380-Y382 PolarHBondContact O-N 3.18Å; Y382-Y384 VanDerWaalsContact C-N 3.3Å; Y382-Y384 PolarHBondContact O-N 2.82Å; Y382-V385 PolarHBondContact O-N 3.01Å; Y382-A386 WeakPolarHBondContact O-CB 3.43Å; Y382-A386 PolarHBondContact O-N 3.3Å
383	R	98.4	Very high	96.8	Very high	206 Å²	206	59.4 Å²	59.4	78%	0.777	29%	0.293	S	S	*	.	H	α-helix	trans	-67.3	-34.4	-179.1	-65.9	-174.3	177.6	-172.2	-0.2	111.7	D381 A387	D381-R383 PolarHBondContact O-N 2.62Å; R383-A387 WeakPolarHBondContact O-CB 3.38Å; R383-A387 PolarHBondContact O-N 3.41Å
384	Y	98.7	Very high	96.5	Very high	116 Å²	116	57.9 Å²	57.9	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-72	-42.7	179.1	-61.8	-70.5	0	0	0	111.5	P297 L300 S380 D381 Y382 A387 A388	P297-Y384 HydrophobicContact CG-CD1 4.17Å; P297-Y384 HydrophobicContact CG-CD2 4.22Å; P297-Y384 HydrophobicContact CG-CG 3.91Å; L300-Y384 HydrophobicContact CD1-CD1 3.94Å; S380-Y384 WeakPolarHBondContact O-CD2 2.8Å; D381-Y384 PolarHBondContact O-N 3.35Å; D381-Y384 VanDerWaalsContact O-N 3.09Å; Y382-Y384 VanDerWaalsContact C-N 3.3Å; Y382-Y384 PolarHBondContact O-N 2.82Å; Y384-A387 PolarHBondContact O-N 3.07Å; Y384-A388 VanDerWaalsContact O-CB 3.26Å; Y384-A388 WeakPolarHBondContact O-CB 3.32Å; Y384-A388 PolarHBondContact O-N 3.37Å
385	V	98.6	Very high	96.2	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-43.1	174.1	176.5	0	0	0	0	111.1	L368 L371 L372 D381 Y382 A387 A388 L389	L368-V385 HydrophobicContact CD2-CG1 4.43Å; L371-V385 HydrophobicContact CB-CG1 4.3Å; L371-V385 HydrophobicContact CD2-CG1 3.99Å; L371-V385 HydrophobicContact CD2-CG2 3.78Å; L371-V385 HydrophobicContact CG-CG1 4.14Å; L371-V385 HydrophobicContact CG-CG2 4.38Å; L372-V385 HydrophobicContact CB-CG1 3.96Å; L372-V385 HydrophobicContact CD1-CB 4.32Å; L372-V385 HydrophobicContact CD1-CG1 4.12Å; D381-V385 HydrophobicContact CB-CG2 4.34Å; D381-V385 VanDerWaalsContact CG-CG2 3.46Å; D381-V385 WeakPolarHBondContact O-CG2 3.3Å; D381-V385 PolarHBondContact O-N 3.09Å; D381-V385 WeakPolarHBondContact OD2-CG2 3.39Å; Y382-V385 PolarHBondContact O-N 3.01Å; V385-A387 PolarHBondContact O-N 3.42Å; V385-A388 PolarHBondContact O-N 2.85Å; V385-L389 WeakPolarHBondContact O-CB 3.45Å; V385-L389 PolarHBondContact O-N 2.9Å
386	A	98.1	Very high	95.7	Very high	35 Å²	35	57.8 Å²	57.8	29%	0.289	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-43	176.7	0	0	0	0	0	112.1	L372 Y382 A390	L372-A386 HydrophobicContact CD1-CB 4.06Å; L372-A386 HydrophobicContact CD2-CB 4.11Å; Y382-A386 WeakPolarHBondContact O-CB 3.43Å; Y382-A386 PolarHBondContact O-N 3.3Å; A386-A390 PolarHBondContact O-N 3.42Å
387	A	98.2	Very high	95.2	Very high	40 Å²	40	63.7 Å²	63.7	33%	0.331	32%	0.318	S	S	.	.	H	α-helix	trans	-65.8	-44.9	175.1	0	0	0	0	0	111.8	L300 R383 Y384 V385 L389 A390 V391	L300-A387 HydrophobicContact CD1-CB 4.15Å; L300-A387 HydrophobicContact CD2-CB 4.04Å; R383-A387 WeakPolarHBondContact O-CB 3.38Å; R383-A387 PolarHBondContact O-N 3.41Å; Y384-A387 PolarHBondContact O-N 3.07Å; V385-A387 PolarHBondContact O-N 3.42Å; A387-L389 VanDerWaalsContact C-N 3.32Å; A387-L389 PolarHBondContact O-N 2.57Å; A387-A390 WeakPolarHBondContact O-CB 3.33Å; A387-A390 PolarHBondContact O-N 3.11Å; A387-A390 VanDerWaalsContact O-N 3.15Å; A387-V391 WeakPolarHBondContact O-CG2 3.45Å; A387-V391 PolarHBondContact O-N 2.85Å
388	A	98.4	Very high	94.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.8	-41.8	177.3	0	0	0	0	0	111.5	F299 L300 L368 Y384 V385 A390 V391 M392	F299-A388 HydrophobicContact CB-CB 3.71Å; F299-A388 HydrophobicContact CG-CB 4.36Å; L300-A388 HydrophobicContact CD2-CB 4.31Å; L300-A388 HydrophobicContact CG-CB 4.35Å; L368-A388 HydrophobicContact CD1-CB 4.05Å; L368-A388 HydrophobicContact CD2-CB 4.4Å; Y384-A388 VanDerWaalsContact O-CB 3.26Å; Y384-A388 WeakPolarHBondContact O-CB 3.32Å; Y384-A388 PolarHBondContact O-N 3.37Å; V385-A388 PolarHBondContact O-N 2.85Å; A388-A390 VanDerWaalsContact C-N 3.35Å; A388-A390 PolarHBondContact O-N 2.88Å; A388-V391 PolarHBondContact O-N 2.92Å; A388-M392 WeakPolarHBondContact O-CB 3.27Å; A388-M392 WeakPolarHBondContact O-CG 3.34Å; A388-M392 PolarHBondContact O-N 2.82Å
389	L	97.9	Very high	93.9	Very high	11 Å²	11	52 Å²	52	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-46	174.6	174.3	58.9	0	0	0	111.5	P365 L368 A369 L372 V385 A387 M392 R393	P365-L389 HydrophobicContact CB-CD1 4.23Å; P365-L389 WeakPolarHBondContact O-CD1 3.3Å; L368-L389 HydrophobicContact CB-CB 4.09Å; L368-L389 HydrophobicContact CB-CD1 4.06Å; A369-L389 HydrophobicContact CB-CD1 4.07Å; A369-L389 HydrophobicContact CB-CD2 4.07Å; L372-L389 HydrophobicContact CD2-CD2 4.01Å; V385-L389 WeakPolarHBondContact O-CB 3.45Å; V385-L389 PolarHBondContact O-N 2.9Å; A387-L389 VanDerWaalsContact C-N 3.32Å; A387-L389 PolarHBondContact O-N 2.57Å; L389-M392 PolarHBondContact O-N 3.1Å; L389-R393 HydrophobicContact CD1-CG 4.16Å; L389-R393 WeakPolarHBondContact O-CB 3.39Å; L389-R393 VanDerWaalsContact O-CG 3.3Å; L389-R393 WeakPolarHBondContact O-CG 3.44Å; L389-R393 PolarHBondContact O-N 2.94Å
390	A	94.9	Very high	93	Very high	59 Å²	59	54.2 Å²	54.2	49%	0.488	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-43.7	178	0	0	0	0	0	111.7	A386 A387 A388 N394	A386-A390 PolarHBondContact O-N 3.42Å; A387-A390 WeakPolarHBondContact O-CB 3.33Å; A387-A390 PolarHBondContact O-N 3.11Å; A387-A390 VanDerWaalsContact O-N 3.15Å; A388-A390 VanDerWaalsContact C-N 3.35Å; A388-A390 PolarHBondContact O-N 2.88Å; A390-N394 WeakPolarHBondContact O-CB 3.27Å; A390-N394 PolarHBondContact O-N 2.94Å
391	V	96.4	Very high	92	Very high	29 Å²	29	53 Å²	53	18%	0.176	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-50.2	176.3	168.1	0	0	0	0	111.1	L300 Q303 A387 A388 R393 N394 V395	L300-V391 HydrophobicContact CD2-CB 4.46Å; L300-V391 HydrophobicContact CD2-CG2 3.88Å; Q303-V391 HydrophobicContact CB-CG1 3.58Å; A387-V391 WeakPolarHBondContact O-CG2 3.45Å; A387-V391 PolarHBondContact O-N 2.85Å; A388-V391 PolarHBondContact O-N 2.92Å; V391-R393 PolarHBondContact O-N 2.95Å; V391-N394 CarbonylContact O-C 3.55Å; V391-N394 WeakPolarHBondContact O-CA 3.39Å; V391-N394 WeakPolarHBondContact O-CB 3.04Å; V391-N394 PolarHBondContact O-N 3.5Å; V391-N394 VanDerWaalsContact O-N 3.08Å; V391-V395 HydrophobicContact CG1-CG2 4.45Å; V391-V395 WeakPolarHBondContact O-CG2 3.35Å; V391-V395 PolarHBondContact O-N 3.49Å
392	M	95.9	Very high	90.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-36.2	-178.3	-67	-49.4	-63.9	0	0	112.4	F299 F306 I361 Y364 P365 L368 A388 L389 N394 V395 T396	F299-M392 HydrophobicContact CD1-CG 3.88Å; F299-M392 HydrophobicContact CD1-SD 4.02Å; F299-M392 HydrophobicContact CE1-CG 4.43Å; F306-M392 HydrophobicContact CD1-CE 3.91Å; F306-M392 HydrophobicContact CD2-CE 4.03Å; F306-M392 HydrophobicContact CD2-SD 3.76Å; F306-M392 HydrophobicContact CE1-CE 4.02Å; F306-M392 HydrophobicContact CE2-CE 4.13Å; F306-M392 HydrophobicContact CE2-SD 3.77Å; F306-M392 HydrophobicContact CG-CE 3.92Å; F306-M392 HydrophobicContact CG-SD 4.25Å; F306-M392 HydrophobicContact CZ-CE 4.13Å; F306-M392 HydrophobicContact CZ-SD 4.26Å; I361-M392 HydrophobicContact CD1-CE 3.84Å; Y364-M392 HydrophobicContact CD2-CE 3.57Å; Y364-M392 HydrophobicContact CE2-CE 4.44Å; Y364-M392 HydrophobicContact CG-CE 3.95Å; P365-M392 HydrophobicContact CG-CB 4.13Å; L368-M392 HydrophobicContact CD1-CB 4.08Å; L368-M392 HydrophobicContact CD1-CG 3.66Å; A388-M392 WeakPolarHBondContact O-CB 3.27Å; A388-M392 WeakPolarHBondContact O-CG 3.34Å; A388-M392 PolarHBondContact O-N 2.82Å; L389-M392 PolarHBondContact O-N 3.1Å; M392-N394 VanDerWaalsContact C-N 3.3Å; M392-N394 PolarHBondContact O-N 2.91Å; M392-V395 PolarHBondContact O-N 2.98Å; M392-T396 PolarHBondContact O-N 2.92Å; M392-T396 PolarHBondContact O-OG1 3.43Å; M392-T396 VanDerWaalsContact O-OG1 3.06Å
393	R	91.9	Very high	89.8	Confident	138 Å²	138	56 Å²	56	52%	0.521	27%	0.272	S	S	.	.	H	α-helix	trans	-58.2	-44.5	169.9	-78.6	178.2	169.7	162.7	-2	111.4	P365 L389 V391 Q397	P365-R393 HydrophobicContact CB-CG 3.87Å; P365-R393 HydrophobicContact CG-CG 4.35Å; L389-R393 HydrophobicContact CD1-CG 4.16Å; L389-R393 WeakPolarHBondContact O-CB 3.39Å; L389-R393 VanDerWaalsContact O-CG 3.3Å; L389-R393 WeakPolarHBondContact O-CG 3.44Å; L389-R393 PolarHBondContact O-N 2.94Å; V391-R393 PolarHBondContact O-N 2.95Å; R393-Q397 VanDerWaalsContact O-CB 3.27Å; R393-Q397 WeakPolarHBondContact O-CB 3.32Å; R393-Q397 PolarHBondContact O-N 3.48Å
394	N	88.6	Confident	88.9	Confident	69 Å²	69	49.2 Å²	49.2	37%	0.369	25%	0.246	S	C	.	.	H	α-helix	trans	-64.3	-42.4	177.5	-175.1	54.9	0	0	0	112	A390 V391 M392 Q397 Q398	A390-N394 WeakPolarHBondContact O-CB 3.27Å; A390-N394 PolarHBondContact O-N 2.94Å; V391-N394 CarbonylContact O-C 3.55Å; V391-N394 WeakPolarHBondContact O-CA 3.39Å; V391-N394 WeakPolarHBondContact O-CB 3.04Å; V391-N394 PolarHBondContact O-N 3.5Å; V391-N394 VanDerWaalsContact O-N 3.08Å; M392-N394 VanDerWaalsContact C-N 3.3Å; M392-N394 PolarHBondContact O-N 2.91Å; N394-Q397 PolarHBondContact O-N 3.28Å; N394-Q398 PolarHBondContact ND2-NE2 3.35Å; N394-Q398 WeakPolarHBondContact O-CB 3.17Å; N394-Q398 VanDerWaalsContact O-CG 3.3Å; N394-Q398 WeakPolarHBondContact O-CG 3.34Å; N394-Q398 PolarHBondContact O-N 3.15Å
395	V	89.6	Confident	87.8	Confident	11 Å²	11	44.7 Å²	44.7	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-52.3	175.8	171.3	0	0	0	0	111	F306 I361 V391 M392 Q397 Q398 I399	F306-V395 HydrophobicContact CB-CG1 3.93Å; I361-V395 HydrophobicContact CD1-CG1 3.95Å; I361-V395 HydrophobicContact CG1-CG1 4.36Å; V391-V395 HydrophobicContact CG1-CG2 4.45Å; V391-V395 WeakPolarHBondContact O-CG2 3.35Å; V391-V395 PolarHBondContact O-N 3.49Å; M392-V395 PolarHBondContact O-N 2.98Å; V395-Q397 VanDerWaalsContact C-N 3.33Å; V395-Q397 PolarHBondContact O-N 3.32Å; V395-Q398 PolarHBondContact O-N 2.91Å; V395-I399 HydrophobicContact CG1-CD1 3.86Å; V395-I399 WeakPolarHBondContact O-CG1 3.38Å; V395-I399 PolarHBondContact O-N 3.3Å
396	T	86.6	Confident	86.7	Confident	25 Å²	25	46.9 Å²	46.9	15%	0.153	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-42.3	179.7	-51.3	0	0	0	0	111.6	I361 C362 M392 I399 N400	I361-T396 PolarHBondContact O-OG1 3.19Å; I361-T396 VanDerWaalsContact O-OG1 3.12Å; C362-T396 HydrophobicContact CB-CG2 4.19Å; C362-T396 VanDerWaalsContact SG-CG2 3.51Å; M392-T396 PolarHBondContact O-N 2.92Å; M392-T396 PolarHBondContact O-OG1 3.43Å; M392-T396 VanDerWaalsContact O-OG1 3.06Å; T396-I399 PolarHBondContact O-N 3.13Å; T396-N400 PolarHBondContact O-N 2.91Å
397	Q	83.3	Confident	85.5	Confident	133 Å²	133	50 Å²	50	62%	0.621	25%	0.249	S	C	*	.	H	α-helix	trans	-61.7	-45.5	177.1	-175.4	-178.2	-5.7	0	0	111.6	R393 N394 V395 I399 N400 E401	R393-Q397 VanDerWaalsContact O-CB 3.27Å; R393-Q397 WeakPolarHBondContact O-CB 3.32Å; R393-Q397 PolarHBondContact O-N 3.48Å; N394-Q397 PolarHBondContact O-N 3.28Å; V395-Q397 VanDerWaalsContact C-N 3.33Å; V395-Q397 PolarHBondContact O-N 3.32Å; Q397-I399 PolarHBondContact O-N 3.41Å; Q397-N400 PolarHBondContact O-N 2.86Å; Q397-E401 VanDerWaalsContact O-CB 3.24Å; Q397-E401 WeakPolarHBondContact O-CB 3.49Å; Q397-E401 PolarHBondContact O-N 3.36Å
398	Q	80.8	Confident	84.8	Confident	54 Å²	54	48.8 Å²	48.8	25%	0.252	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-38.5	179.3	-75	-173.2	77.9	0	0	112.3	W307 N394 V395 E401 R402	W307-Q398 HydrophobicContact CH2-CB 4.47Å; W307-Q398 HydrophobicContact CZ3-CB 3.87Å; N394-Q398 PolarHBondContact ND2-NE2 3.35Å; N394-Q398 WeakPolarHBondContact O-CB 3.17Å; N394-Q398 VanDerWaalsContact O-CG 3.3Å; N394-Q398 WeakPolarHBondContact O-CG 3.34Å; N394-Q398 PolarHBondContact O-N 3.15Å; V395-Q398 PolarHBondContact O-N 2.91Å; Q398-E401 PolarHBondContact O-N 2.94Å; Q398-R402 WeakPolarHBondContact O-CB 3.4Å; Q398-R402 PolarHBondContact O-N 3.15Å
399	I	82.9	Confident	84.2	Confident	7 Å²	7	49.1 Å²	49.1	4%	0.036	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-44.5	175.1	-68.3	170	0	0	0	110.8	C313 I361 V395 T396 Q397 R402 K403	C313-I399 HydrophobicContact CB-CG2 3.63Å; I361-I399 HydrophobicContact CD1-CD1 4.45Å; I361-I399 HydrophobicContact CG1-CD1 3.68Å; V395-I399 HydrophobicContact CG1-CD1 3.86Å; V395-I399 WeakPolarHBondContact O-CG1 3.38Å; V395-I399 PolarHBondContact O-N 3.3Å; T396-I399 PolarHBondContact O-N 3.13Å; Q397-I399 PolarHBondContact O-N 3.41Å; I399-R402 WeakPolarHBondContact O-CB 3.4Å; I399-R402 PolarHBondContact O-N 3.4Å; I399-K403 PolarHBondContact O-N 2.84Å
400	N	79.4	Confident	83.5	Confident	76 Å²	76	51.5 Å²	51.5	41%	0.406	25%	0.251	S	S	.	.	H	α-helix	trans	-65.5	-43.8	177.8	-171.4	47.2	0	0	0	111.8	T396 Q397 R402 K403 R404	T396-N400 PolarHBondContact O-N 2.91Å; Q397-N400 PolarHBondContact O-N 2.86Å; N400-R402 VanDerWaalsContact C-N 3.32Å; N400-R402 PolarHBondContact O-N 2.93Å; N400-K403 PolarHBondContact O-N 3.23Å; N400-R404 PolarHBondContact O-N 2.7Å
401	E	76.7	Confident	83.1	Confident	41 Å²	41	51.5 Å²	51.5	19%	0.192	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-42.5	177.1	178.7	54.9	-156.2	0	0	111.4	Q397 Q398 K403 R404 R405	Q397-E401 VanDerWaalsContact O-CB 3.24Å; Q397-E401 WeakPolarHBondContact O-CB 3.49Å; Q397-E401 PolarHBondContact O-N 3.36Å; Q398-E401 PolarHBondContact O-N 2.94Å; E401-K403 VanDerWaalsContact C-N 3.33Å; E401-K403 PolarHBondContact O-N 3.38Å; E401-R404 WeakPolarHBondContact O-CB 3.48Å; E401-R404 PolarHBondContact O-N 3.3Å; E401-R404 VanDerWaalsContact O-N 3.15Å; E401-R404 IonicContact OE1-CZ 3.22Å; E401-R404 IonicContact OE1-NE 3.59Å; E401-R404 IonicContact OE1-NH2 2.94Å; E401-R404 PolarHBondContact OE1-NH2 3.32Å; E401-R404 IonicContact OE2-CZ 3.86Å; E401-R404 VanDerWaalsContact OE2-CZ 3.26Å; E401-R404 IonicContact OE2-NE 3.63Å; E401-R404 PolarHBondContact OE2-NE 2.69Å; E401-R404 IonicContact OE2-NH2 2.72Å; E401-R404 PolarHBondContact OE2-NH2 2.88Å; E401-R405 WeakPolarHBondContact O-CG 3.5Å; E401-R405 PolarHBondContact O-N 2.9Å; E401-R405 IonicContact OE1-NE 2.76Å; E401-R405 PolarHBondContact OE1-NE 3.18Å
402	R	75.4	Confident	82.9	Confident	45 Å²	45	50.3 Å²	50.3	17%	0.17	23%	0.233	C	C	.	.	H	α-helix	trans	-55.7	-48.7	175.8	-177.2	71.1	-172.5	157.3	0.5	112	N314 Q398 I399 N400 R405 L406 F550	N314-R402 WeakPolarHBondContact ND2-CG 3.24Å; Q398-R402 WeakPolarHBondContact O-CB 3.4Å; Q398-R402 PolarHBondContact O-N 3.15Å; I399-R402 WeakPolarHBondContact O-CB 3.4Å; I399-R402 PolarHBondContact O-N 3.4Å; N400-R402 VanDerWaalsContact C-N 3.32Å; N400-R402 PolarHBondContact O-N 2.93Å; R402-R405 PolarHBondContact O-N 2.79Å; R402-L406 WeakPolarHBondContact O-CG 3.42Å; R402-L406 PolarHBondContact O-N 2.92Å; R402-F550 VanDerWaalsContact NH1-CD1 3.28Å
403	K	74.2	Confident	82.7	Confident	82 Å²	82	50.8 Å²	50.8	36%	0.357	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-44.5	176.8	-176	178.1	177.2	-179.2	0	111.2	I399 N400 E401 R405 L406 E407	I399-K403 PolarHBondContact O-N 2.84Å; N400-K403 PolarHBondContact O-N 3.23Å; E401-K403 VanDerWaalsContact C-N 3.33Å; E401-K403 PolarHBondContact O-N 3.38Å; K403-R405 VanDerWaalsContact C-N 3.34Å; K403-R405 PolarHBondContact O-N 3.2Å; K403-L406 PolarHBondContact O-N 2.93Å; K403-E407 WeakPolarHBondContact CE-OE1 3.27Å; K403-E407 PolarHBondContact O-N 3.43Å; K403-E407 VanDerWaalsContact O-N 3.12Å
404	R	80	Confident	82.6	Confident	62 Å²	62	47.6 Å²	47.6	23%	0.234	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-44.2	177.1	-170.2	179.5	73.4	84.7	6.4	112	N400 E401 L406 E407 N408 E433	N400-R404 PolarHBondContact O-N 2.7Å; E401-R404 WeakPolarHBondContact O-CB 3.48Å; E401-R404 PolarHBondContact O-N 3.3Å; E401-R404 VanDerWaalsContact O-N 3.15Å; E401-R404 IonicContact OE1-CZ 3.22Å; E401-R404 IonicContact OE1-NE 3.59Å; E401-R404 IonicContact OE1-NH2 2.94Å; E401-R404 PolarHBondContact OE1-NH2 3.32Å; E401-R404 IonicContact OE2-CZ 3.86Å; E401-R404 VanDerWaalsContact OE2-CZ 3.26Å; E401-R404 IonicContact OE2-NE 3.63Å; E401-R404 PolarHBondContact OE2-NE 2.69Å; E401-R404 IonicContact OE2-NH2 2.72Å; E401-R404 PolarHBondContact OE2-NH2 2.88Å; R404-L406 PolarHBondContact O-N 3.29Å; R404-E407 PolarHBondContact O-N 3.1Å; R404-N408 PolarHBondContact NH1-ND2 2.96Å; R404-N408 WeakPolarHBondContact O-CB 3.37Å; R404-N408 PolarHBondContact O-N 2.99Å; R404-N408 PolarHBondContact O-ND2 3.25Å; R404-E433 IonicContact CZ-OE1 2.64Å; R404-E433 IonicContact NH1-OE1 2.82Å; R404-E433 PolarHBondContact NH1-OE1 3.36Å; R404-E433 VanDerWaalsContact NH2-CD 3.3Å; R404-E433 IonicContact NH2-OE1 2.66Å; R404-E433 PolarHBondContact NH2-OE1 3.31Å; R404-E433 IonicContact NH2-OE2 3.54Å
405	R	76.9	Confident	82.9	Confident	21 Å²	21	44.8 Å²	44.8	8%	0.079	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-45.3	176.7	-69.2	-168.1	-167.7	171.9	11.7	111.6	E401 R402 K403 E407 N408 I409 E433 M541 D545	E401-R405 WeakPolarHBondContact O-CG 3.5Å; E401-R405 PolarHBondContact O-N 2.9Å; E401-R405 IonicContact OE1-NE 2.76Å; E401-R405 PolarHBondContact OE1-NE 3.18Å; R402-R405 PolarHBondContact O-N 2.79Å; K403-R405 VanDerWaalsContact C-N 3.34Å; K403-R405 PolarHBondContact O-N 3.2Å; R405-E407 VanDerWaalsContact C-N 3.3Å; R405-E407 PolarHBondContact O-N 3.33Å; R405-N408 WeakPolarHBondContact O-CB 3.47Å; R405-N408 PolarHBondContact O-N 3.45Å; R405-I409 WeakPolarHBondContact O-CG1 3.47Å; R405-I409 PolarHBondContact O-N 3Å; R405-E433 HydrophobicContact CG-CB 4.1Å; R405-E433 HydrophobicContact CG-CG 4.16Å; R405-E433 WeakPolarHBondContact CG-OE2 3.25Å; R405-M541 VanDerWaalsContact CZ-SD 3.53Å; R405-M541 VanDerWaalsContact NH2-CG 3.33Å; R405-M541 PolarHBondContact NH2-SD 3.26Å; R405-M541 VanDerWaalsContact NH2-SD 3.37Å; R405-D545 IonicContact CZ-OD2 3.32Å; R405-D545 IonicContact NH1-OD1 2.69Å; R405-D545 PolarHBondContact NH1-OD1 2.82Å; R405-D545 VanDerWaalsContact NH1-OD1 3.1Å; R405-D545 IonicContact NH1-OD2 3.55Å; R405-D545 PolarHBondContact NH1-OD2 2.85Å
406	L	73.6	Confident	83.1	Confident	46 Å²	46	45.1 Å²	45.1	24%	0.241	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-39.9	177.8	-67.1	-179.4	0	0	0	112.5	N314 R402 K403 R404 N408 I409	N314-L406 HydrophobicContact CB-CD1 4.04Å; R402-L406 WeakPolarHBondContact O-CG 3.42Å; R402-L406 PolarHBondContact O-N 2.92Å; K403-L406 PolarHBondContact O-N 2.93Å; R404-L406 PolarHBondContact O-N 3.29Å; L406-N408 VanDerWaalsContact C-N 3.28Å; L406-N408 PolarHBondContact O-N 3Å; L406-I409 HydrophobicContact CD2-CD1 4.01Å
407	E	74.4	Confident	83.4	Confident	101 Å²	101	46.9 Å²	46.9	47%	0.472	23%	0.23	S	C	.	.	H	α-helix	trans	-71.3	-21.5	174.8	-66.7	176.5	-173.8	0	0	113.2	K403 R404 R405	K403-E407 WeakPolarHBondContact CE-OE1 3.27Å; K403-E407 PolarHBondContact O-N 3.43Å; K403-E407 VanDerWaalsContact O-N 3.12Å; R404-E407 PolarHBondContact O-N 3.1Å; R405-E407 VanDerWaalsContact C-N 3.3Å; R405-E407 PolarHBondContact O-N 3.33Å
408	N	82.1	Confident	83.9	Confident	15 Å²	15	43 Å²	43	8%	0.08	22%	0.218	C	C	.	.	H	α-helix	trans	-85.1	-22.1	-179.6	-73.1	-17.6	0	0	0	113.6	R404 R405 L406 D410 K411 I412 E433	R404-N408 PolarHBondContact NH1-ND2 2.96Å; R404-N408 WeakPolarHBondContact O-CB 3.37Å; R404-N408 PolarHBondContact O-N 2.99Å; R404-N408 PolarHBondContact O-ND2 3.25Å; R405-N408 WeakPolarHBondContact O-CB 3.47Å; R405-N408 PolarHBondContact O-N 3.45Å; L406-N408 VanDerWaalsContact C-N 3.28Å; L406-N408 PolarHBondContact O-N 3Å; N408-D410 VanDerWaalsContact C-N 3.32Å; N408-D410 PolarHBondContact O-N 3.36Å; N408-K411 WeakPolarHBondContact O-CA 3.43Å; N408-K411 WeakPolarHBondContact O-CB 3.48Å; N408-K411 PolarHBondContact O-N 3.37Å; N408-K411 PolarHBondContact OD1-NZ 3.08Å; N408-I412 WeakPolarHBondContact O-CG1 3.46Å; N408-I412 PolarHBondContact O-N 3.26Å; N408-E433 PolarHBondContact ND2-OE1 2.89Å; N408-E433 PolarHBondContact ND2-OE2 2.81Å
409	I	86.5	Confident	84.5	Confident	7 Å²	7	40.8 Å²	40.8	4%	0.036	21%	0.208	C	C	.	.	H	α-helix	trans	-51.4	-50.1	-180	-68.6	172.2	0	0	0	111.3	R405 L406 K411 I412 A413 L428 I552 Q556 A560	R405-I409 WeakPolarHBondContact O-CG1 3.47Å; R405-I409 PolarHBondContact O-N 3Å; L406-I409 HydrophobicContact CD2-CD1 4.01Å; I409-K411 VanDerWaalsContact C-N 3.27Å; I409-K411 PolarHBondContact O-N 3.37Å; I409-I412 PolarHBondContact O-N 2.77Å; I409-A413 PolarHBondContact O-N 3Å; I409-A413 VanDerWaalsContact O-N 3.1Å; I409-L428 HydrophobicContact CB-CD2 4.46Å; I409-L428 HydrophobicContact CG2-CD1 3.66Å; I409-L428 HydrophobicContact CG2-CD2 3.96Å; I409-L428 HydrophobicContact CG2-CG 4.47Å; I409-I552 HydrophobicContact CD1-CG2 3.91Å; I409-Q556 HydrophobicContact CD1-CB 4.32Å; I409-A560 HydrophobicContact CG2-CB 3.75Å
410	D	83.7	Confident	85.1	Confident	61 Å²	61	44 Å²	44	33%	0.326	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-36.4	178.4	-85	-9.3	0	0	0	112.1	N408 Q414 A560	N408-D410 VanDerWaalsContact C-N 3.32Å; N408-D410 PolarHBondContact O-N 3.36Å; D410-Q414 WeakPolarHBondContact O-CB 3.44Å; D410-Q414 WeakPolarHBondContact O-CG 3.41Å; D410-Q414 PolarHBondContact O-N 3.45Å; D410-A560 WeakPolarHBondContact OD1-CA 3.48Å; D410-A560 WeakPolarHBondContact OD1-CB 3.34Å
411	K	86.6	Confident	86	Confident	59 Å²	59	45.2 Å²	45.2	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-70.3	-38.3	179.9	-55	176.6	-166.5	154.6	0	111.2	N408 I409 Q414 W415 F621	N408-K411 WeakPolarHBondContact O-CA 3.43Å; N408-K411 WeakPolarHBondContact O-CB 3.48Å; N408-K411 PolarHBondContact O-N 3.37Å; N408-K411 PolarHBondContact OD1-NZ 3.08Å; I409-K411 VanDerWaalsContact C-N 3.27Å; I409-K411 PolarHBondContact O-N 3.37Å; K411-Q414 PolarHBondContact O-N 3.32Å; K411-W415 WeakPolarHBondContact O-CB 3.49Å; K411-W415 PolarHBondContact O-N 3.23Å; K411-F621 HydrophobicContact CB-CE2 4.23Å; K411-F621 HydrophobicContact CB-CZ 3.84Å
412	I	92.5	Very high	87	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-47.7	175.8	-66.1	174.1	0	0	0	109.9	N408 I409 Q414 W415 Q416 I427 L428 S432 F458	N408-I412 WeakPolarHBondContact O-CG1 3.46Å; N408-I412 PolarHBondContact O-N 3.26Å; I409-I412 PolarHBondContact O-N 2.77Å; I412-Q414 VanDerWaalsContact C-N 3.33Å; I412-Q414 PolarHBondContact O-N 3.05Å; I412-W415 PolarHBondContact O-N 3.44Å; I412-Q416 PolarHBondContact O-N 3.01Å; I412-I427 HydrophobicContact CG2-CB 3.84Å; I412-I427 HydrophobicContact CG2-CD1 3.96Å; I412-I427 HydrophobicContact CG2-CG2 3.58Å; I412-L428 HydrophobicContact CB-CD2 4.09Å; I412-L428 HydrophobicContact CD1-CD2 4.35Å; I412-L428 HydrophobicContact CG2-CD2 3.91Å; I412-L428 HydrophobicContact CG2-CG 4.24Å; I412-S432 WeakPolarHBondContact CD1-O 3.24Å; I412-F458 HydrophobicContact CD1-CD1 4.38Å; I412-F458 HydrophobicContact CD1-CE1 4.19Å; I412-F458 HydrophobicContact CG1-CE1 4.16Å; I412-F458 HydrophobicContact CG2-CE1 4.16Å
413	A	91.7	Very high	88	Confident	11 Å²	11	50.1 Å²	50.1	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-43.1	177	0	0	0	0	0	112	I409 Q416 A417 L428 A560 V564	I409-A413 PolarHBondContact O-N 3Å; I409-A413 VanDerWaalsContact O-N 3.1Å; A413-Q416 PolarHBondContact O-N 3.14Å; A413-A417 WeakPolarHBondContact O-CB 3.19Å; A413-A417 PolarHBondContact O-N 3.21Å; A413-A417 VanDerWaalsContact O-N 3.08Å; A413-L428 HydrophobicContact CB-CD1 3.94Å; A413-A560 HydrophobicContact CB-CB 3.85Å; A413-V564 VanDerWaalsContact C-CG2 3.5Å; A413-V564 HydrophobicContact CB-CG2 3.72Å; A413-V564 WeakPolarHBondContact O-CG2 3.11Å
414	Q	90.1	Very high	89	Confident	71 Å²	71	49 Å²	49	33%	0.332	27%	0.266	S	S	.	.	H	α-helix	trans	-65.3	-39.6	175.7	-72.9	172.8	27.3	0	0	112.7	D410 K411 I412 A417 S418 V564	D410-Q414 WeakPolarHBondContact O-CB 3.44Å; D410-Q414 WeakPolarHBondContact O-CG 3.41Å; D410-Q414 PolarHBondContact O-N 3.45Å; K411-Q414 PolarHBondContact O-N 3.32Å; I412-Q414 VanDerWaalsContact C-N 3.33Å; I412-Q414 PolarHBondContact O-N 3.05Å; Q414-A417 PolarHBondContact O-N 2.92Å; Q414-S418 PolarHBondContact O-N 3.34Å; Q414-V564 HydrophobicContact CG-CG2 4.18Å
415	W	94	Very high	89.7	Confident	9 Å²	9	51.8 Å²	51.8	3%	0.034	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-50.8	175.1	175	73.8	0	0	0	111.1	K411 I412 A417 S418 V419 W422 I427 F456 F458 V463 W618	K411-W415 WeakPolarHBondContact O-CB 3.49Å; K411-W415 PolarHBondContact O-N 3.23Å; I412-W415 PolarHBondContact O-N 3.44Å; W415-A417 VanDerWaalsContact C-N 3.29Å; W415-A417 PolarHBondContact O-N 3.36Å; W415-S418 WeakPolarHBondContact O-CA 3.49Å; W415-S418 WeakPolarHBondContact O-CB 3.46Å; W415-S418 PolarHBondContact O-N 3.36Å; W415-S418 PolarHBondContact O-OG 3.28Å; W415-V419 HydrophobicContact CD2-CG2 4.27Å; W415-V419 HydrophobicContact CH2-CG2 4.28Å; W415-V419 HydrophobicContact CZ2-CG2 3.84Å; W415-V419 PolarHBondContact O-N 3.34Å; W415-W422 HydrophobicContact CZ3-CZ3 4.34Å; W415-I427 HydrophobicContact CE3-CD1 3.49Å; W415-I427 VanDerWaalsContact CE3-CD1 3.49Å; W415-I427 HydrophobicContact CZ3-CD1 3.3Å; W415-F456 AromaticContact CE2-CE1 3.87Å; W415-F456 HydrophobicContact CH2-CB 4.02Å; W415-F456 HydrophobicContact CH2-CD1 4.1Å; W415-F456 AromaticContact CH2-CD2 3.81Å; W415-F456 HydrophobicContact CH2-CD2 3.81Å; W415-F456 HydrophobicContact CH2-CE2 4.31Å; W415-F456 AromaticContact CH2-CG 3.7Å; W415-F456 HydrophobicContact CH2-CG 3.7Å; W415-F456 HydrophobicContact CZ2-CB 4.3Å; W415-F456 AromaticContact CZ2-CD1 3.54Å; W415-F456 HydrophobicContact CZ2-CD1 3.54Å; W415-F456 AromaticContact CZ2-CD2 3.52Å; W415-F456 HydrophobicContact CZ2-CD2 3.52Å; W415-F456 AromaticContact CZ2-CE1 3.61Å; W415-F456 HydrophobicContact CZ2-CE1 3.61Å; W415-F456 AromaticContact CZ2-CE2 3.6Å; W415-F456 HydrophobicContact CZ2-CE2 3.6Å; W415-F456 AromaticContact CZ2-CG 3.51Å; W415-F456 HydrophobicContact CZ2-CG 3.51Å; W415-F456 AromaticContact CZ2-CZ 3.64Å; W415-F456 HydrophobicContact CZ2-CZ 3.64Å; W415-F456 AromaticContact NE1-CE1 3.79Å; W415-F458 AromaticContact CE3-CZ 3.88Å; W415-F458 HydrophobicContact CE3-CZ 3.88Å; W415-F458 HydrophobicContact CH2-CE2 4.19Å; W415-F458 HydrophobicContact CH2-CZ 4.27Å; W415-F458 AromaticContact CZ3-CE2 3.78Å; W415-F458 HydrophobicContact CZ3-CE2 3.78Å; W415-F458 AromaticContact CZ3-CZ 3.58Å; W415-F458 HydrophobicContact CZ3-CZ 3.58Å; W415-V463 HydrophobicContact CH2-CB 4.39Å; W415-V463 HydrophobicContact CH2-CG1 4Å; W415-W618 VanDerWaalsContact CA-CH2 3.48Å; W415-W618 HydrophobicContact CB-CH2 3.5Å; W415-W618 HydrophobicContact CB-CZ2 4.42Å; W415-W618 HydrophobicContact CB-CZ3 3.72Å; W415-W618 AromaticContact CD1-CE3 3.72Å; W415-W618 AromaticContact CD1-CH2 3.38Å; W415-W618 AromaticContact CD1-CZ2 3.73Å; W415-W618 AromaticContact CD1-CZ3 3.32Å; W415-W618 AromaticContact CG-CH2 3.84Å; W415-W618 HydrophobicContact CG-CH2 3.84Å; W415-W618 HydrophobicContact CG-CZ2 4.48Å; W415-W618 AromaticContact CG-CZ3 3.86Å; W415-W618 HydrophobicContact CG-CZ3 3.86Å
416	Q	94.2	Very high	90.6	Very high	18 Å²	18	54.6 Å²	54.6	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-54.8	-46.7	178.2	-167.8	-171.2	-52.5	0	0	111.4	I412 A413 S418 V419 W422 D426 I427	I412-Q416 PolarHBondContact O-N 3.01Å; A413-Q416 PolarHBondContact O-N 3.14Å; Q416-S418 PolarHBondContact O-N 3.42Å; Q416-S418 VanDerWaalsContact O-N 3.14Å; Q416-V419 PolarHBondContact O-N 2.87Å; Q416-W422 HydrophobicContact CG-CD2 3.61Å; Q416-W422 HydrophobicContact CG-CE3 3.75Å; Q416-W422 HydrophobicContact CG-CG 4.32Å; Q416-W422 HydrophobicContact CG-CH2 3.76Å; Q416-W422 HydrophobicContact CG-CZ2 3.6Å; Q416-W422 HydrophobicContact CG-CZ3 3.82Å; Q416-D426 PolarHBondContact NE2-OD1 2.87Å; Q416-I427 HydrophobicContact CB-CD1 3.84Å; Q416-I427 HydrophobicContact CG-CD1 3.95Å; Q416-I427 HydrophobicContact CG-CG1 4.33Å
417	A	93.3	Very high	91.6	Very high	62 Å²	62	52.4 Å²	52.4	51%	0.512	29%	0.29	S	S	.	.	H	α-helix	trans	-64.5	-17.8	178.4	0	0	0	0	0	114.2	A413 Q414 W415 V564	A413-A417 WeakPolarHBondContact O-CB 3.19Å; A413-A417 PolarHBondContact O-N 3.21Å; A413-A417 VanDerWaalsContact O-N 3.08Å; Q414-A417 PolarHBondContact O-N 2.92Å; W415-A417 VanDerWaalsContact C-N 3.29Å; W415-A417 PolarHBondContact O-N 3.36Å; A417-V564 HydrophobicContact CB-CG1 3.38Å; A417-V564 HydrophobicContact CB-CG2 4.37Å
418	S	92.8	Very high	92.5	Very high	52 Å²	52	48 Å²	48	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-87.6	-17.4	175	80.4	0	0	0	0	113.6	Q414 W415 Q416 W618	Q414-S418 PolarHBondContact O-N 3.34Å; W415-S418 WeakPolarHBondContact O-CA 3.49Å; W415-S418 WeakPolarHBondContact O-CB 3.46Å; W415-S418 PolarHBondContact O-N 3.36Å; W415-S418 PolarHBondContact O-OG 3.28Å; Q416-S418 PolarHBondContact O-N 3.42Å; Q416-S418 VanDerWaalsContact O-N 3.14Å; S418-W618 WeakPolarHBondContact OG-CZ2 3.49Å
419	V	94.7	Very high	93	Very high	8 Å²	8	51 Å²	51	5%	0.048	29%	0.286	C	S	.	.	S	Bend	trans	-79.8	128.1	177.3	-179.9	0	0	0	0	109	W415 Q416 W422 L475	W415-V419 HydrophobicContact CD2-CG2 4.27Å; W415-V419 HydrophobicContact CH2-CG2 4.28Å; W415-V419 HydrophobicContact CZ2-CG2 3.84Å; W415-V419 PolarHBondContact O-N 3.34Å; Q416-V419 PolarHBondContact O-N 2.87Å; V419-W422 HydrophobicContact CB-CE3 4.18Å; V419-W422 HydrophobicContact CG1-CE3 4.12Å; V419-L475 HydrophobicContact CG2-CB 4.44Å
420	L	95.6	Very high	93.2	Very high	73 Å²	73	55.5 Å²	55.5	38%	0.382	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-81.5	154.9	178.4	-58.2	-177.3	0	0	0	111.1	W422 I474 L475 Y476 Y477	L420-W422 VanDerWaalsContact C-N 3.28Å; L420-W422 PolarHBondContact O-N 3.03Å; L420-I474 HydrophobicContact CD1-CG2 3.55Å; L420-I474 HydrophobicContact CG-CG2 4.21Å; L420-L475 PolarHBondContact N-O 3.04Å; L420-Y476 HydrophobicContact CB-CD1 3.74Å; L420-Y476 HydrophobicContact CB-CE1 4.04Å; L420-Y476 HydrophobicContact CD1-CD1 4.18Å; L420-Y476 HydrophobicContact CD1-CE1 3.63Å; L420-Y476 HydrophobicContact CG-CE1 4.46Å; L420-Y477 PolarHBondContact O-N 2.78Å
421	D	96.9	Very high	93.6	Very high	102 Å²	102	52.7 Å²	52.7	55%	0.545	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	38.2	178.4	-50.6	-25.7	0	0	0	113.5	E423 Y476 Y477	D421-E423 PolarHBondContact O-N 3.39Å; D421-Y476 WeakPolarHBondContact OD2-CD1 3.16Å; D421-Y477 WeakPolarHBondContact O-CB 3.48Å
422	W	97.4	Very high	93.8	Very high	55 Å²	55	50 Å²	50	21%	0.208	28%	0.276	C	S	.	.			trans	-62	130.1	178.3	-171.6	-94.2	0	0	0	111.5	W415 Q416 V419 L420 G424 D425 I427 V463 Y477	W415-W422 HydrophobicContact CZ3-CZ3 4.34Å; Q416-W422 HydrophobicContact CG-CD2 3.61Å; Q416-W422 HydrophobicContact CG-CE3 3.75Å; Q416-W422 HydrophobicContact CG-CG 4.32Å; Q416-W422 HydrophobicContact CG-CH2 3.76Å; Q416-W422 HydrophobicContact CG-CZ2 3.6Å; Q416-W422 HydrophobicContact CG-CZ3 3.82Å; V419-W422 HydrophobicContact CB-CE3 4.18Å; V419-W422 HydrophobicContact CG1-CE3 4.12Å; L420-W422 VanDerWaalsContact C-N 3.28Å; L420-W422 PolarHBondContact O-N 3.03Å; W422-G424 PolarHBondContact NE1-O 3.4Å; W422-D425 PolarHBondContact NE1-O 2.89Å; W422-I427 HydrophobicContact CH2-CD1 3.63Å; W422-I427 HydrophobicContact CH2-CG1 3.47Å; W422-I427 VanDerWaalsContact CH2-CG1 3.47Å; W422-I427 HydrophobicContact CZ2-CD1 4.2Å; W422-I427 HydrophobicContact CZ2-CG1 3.65Å; W422-I427 HydrophobicContact CZ3-CD1 4.36Å; W422-V463 HydrophobicContact CH2-CG1 4.33Å; W422-V463 HydrophobicContact CH2-CG2 4.33Å; W422-V463 HydrophobicContact CZ3-CG1 4.19Å; W422-Y477 HydrophobicContact CD2-CD2 4.34Å; W422-Y477 AromaticContact CE3-CD2 3.69Å; W422-Y477 HydrophobicContact CE3-CD2 3.69Å; W422-Y477 HydrophobicContact CE3-CE2 4.3Å; W422-Y477 HydrophobicContact CE3-CG 4.25Å; W422-Y477 HydrophobicContact CH2-CD2 4.32Å; W422-Y477 HydrophobicContact CH2-CE2 4.26Å; W422-Y477 AromaticContact CZ3-CD2 3.68Å; W422-Y477 HydrophobicContact CZ3-CD2 3.68Å; W422-Y477 HydrophobicContact CZ3-CE2 4.08Å
423	E	96.5	Very high	93.7	Very high	135 Å²	135	49.9 Å²	49.9	63%	0.631	28%	0.275	S	S	*	.			trans	-128.5	143.8	177.1	-59.9	170.3	-175.2	0	0	110.5	D421 Y477 R480	D421-E423 PolarHBondContact O-N 3.39Å; E423-Y477 HydrophobicContact CB-CD1 4.08Å; E423-Y477 HydrophobicContact CB-CE1 3.73Å; E423-Y477 HydrophobicContact CG-CD1 4.34Å; E423-Y477 HydrophobicContact CG-CE1 4.4Å; E423-Y477 PolarHBondContact O-OH 3.26Å; E423-R480 PolarHBondContact O-NH2 2.91Å
424	G	95	Very high	93.7	Very high	59 Å²	59	50.6 Å²	50.6	61%	0.608	28%	0.277	S	S	*	.	S	Bend	trans	84.8	-172.3	-177.3	0	0	0	0	0	113.5	W422	W422-G424 PolarHBondContact NE1-O 3.4Å
425	D	95.4	Very high	93.8	Very high	119 Å²	119	47.9 Å²	47.9	64%	0.636	27%	0.265	S	S	*	.	S	Bend	trans	-68.4	164.7	-172.8	-56.4	-36.2	0	0	0	113	W422 R480	W422-D425 PolarHBondContact NE1-O 2.89Å; D425-R480 PolarHBondContact O-NH1 3.36Å; D425-R480 PolarHBondContact O-NH2 2.91Å
426	D	95.2	Very high	93.9	Very high	80 Å²	80	49.6 Å²	49.6	43%	0.428	27%	0.272	S	S	.	.			trans	-66.8	146.8	177.4	-73.3	-17.5	0	0	0	109.7	Q416 L428 D429	Q416-D426 PolarHBondContact NE2-OD1 2.87Å; D426-L428 PolarHBondContact O-N 3.35Å; D426-D429 PolarHBondContact N-OD2 3.41Å; D426-D429 WeakPolarHBondContact O-CB 3.34Å; D426-D429 PolarHBondContact O-N 3.34Å; D426-D429 VanDerWaalsContact O-N 3.1Å
427	I	95.1	Very high	93.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-58.4	-42.2	179.7	-63.2	162	0	0	0	110	I412 W415 Q416 W422 D429 R430 S431 F458 Q461	I412-I427 HydrophobicContact CG2-CB 3.84Å; I412-I427 HydrophobicContact CG2-CD1 3.96Å; I412-I427 HydrophobicContact CG2-CG2 3.58Å; W415-I427 HydrophobicContact CE3-CD1 3.49Å; W415-I427 VanDerWaalsContact CE3-CD1 3.49Å; W415-I427 HydrophobicContact CZ3-CD1 3.3Å; Q416-I427 HydrophobicContact CB-CD1 3.84Å; Q416-I427 HydrophobicContact CG-CD1 3.95Å; Q416-I427 HydrophobicContact CG-CG1 4.33Å; W422-I427 HydrophobicContact CH2-CD1 3.63Å; W422-I427 HydrophobicContact CH2-CG1 3.47Å; W422-I427 VanDerWaalsContact CH2-CG1 3.47Å; W422-I427 HydrophobicContact CZ2-CD1 4.2Å; W422-I427 HydrophobicContact CZ2-CG1 3.65Å; W422-I427 HydrophobicContact CZ3-CD1 4.36Å; I427-D429 PolarHBondContact O-N 3.44Å; I427-D429 VanDerWaalsContact O-N 3.07Å; I427-R430 PolarHBondContact O-N 2.83Å; I427-R430 VanDerWaalsContact O-N 3.16Å; I427-S431 WeakPolarHBondContact O-CB 3.36Å; I427-S431 PolarHBondContact O-N 3.24Å; I427-F458 HydrophobicContact CD1-CE2 4.33Å; I427-F458 HydrophobicContact CD1-CZ 4.07Å; I427-F458 HydrophobicContact CG2-CD1 3.93Å; I427-F458 HydrophobicContact CG2-CD2 4.39Å; I427-F458 HydrophobicContact CG2-CE1 4.03Å; I427-F458 HydrophobicContact CG2-CE2 4.47Å; I427-F458 HydrophobicContact CG2-CG 4.13Å; I427-F458 HydrophobicContact CG2-CZ 4.31Å; I427-Q461 PolarHBondContact O-NE2 3.49Å
428	L	93.6	Very high	94	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.052	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-65.1	-8.4	-178.8	-64.6	179.4	0	0	0	114.1	I409 I412 A413 D426 R430 S431 I552 K557 A560	I409-L428 HydrophobicContact CB-CD2 4.46Å; I409-L428 HydrophobicContact CG2-CD1 3.66Å; I409-L428 HydrophobicContact CG2-CD2 3.96Å; I409-L428 HydrophobicContact CG2-CG 4.47Å; I412-L428 HydrophobicContact CB-CD2 4.09Å; I412-L428 HydrophobicContact CD1-CD2 4.35Å; I412-L428 HydrophobicContact CG2-CD2 3.91Å; I412-L428 HydrophobicContact CG2-CG 4.24Å; A413-L428 HydrophobicContact CB-CD1 3.94Å; D426-L428 PolarHBondContact O-N 3.35Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-S431 WeakPolarHBondContact CA-O 3.47Å; L428-I552 HydrophobicContact CD2-CD1 4.19Å; L428-K557 WeakPolarHBondContact O-CE 3.44Å; L428-A560 HydrophobicContact CD1-CB 3.8Å
429	D	92.3	Very high	94.1	Very high	77 Å²	77	49.7 Å²	49.7	41%	0.412	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-71.6	-30.9	174.3	-68.3	-29.9	0	0	0	112	D426 I427	D426-D429 PolarHBondContact N-OD2 3.41Å; D426-D429 WeakPolarHBondContact O-CB 3.34Å; D426-D429 PolarHBondContact O-N 3.34Å; D426-D429 VanDerWaalsContact O-N 3.1Å; I427-D429 PolarHBondContact O-N 3.44Å; I427-D429 VanDerWaalsContact O-N 3.07Å
430	R	91.4	Very high	94.3	Very high	102 Å²	102	49.4 Å²	49.4	39%	0.385	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-15.9	179.9	-54.9	-157.7	-54	155.3	6.7	114.9	I427 L428 H460 D482	I427-R430 PolarHBondContact O-N 2.83Å; I427-R430 VanDerWaalsContact O-N 3.16Å; L428-R430 VanDerWaalsContact C-N 3.32Å; R430-H460 PolarHBondContact NH2-O 3.3Å; R430-H460 PolarHBondContact O-CD2 2.82Å; R430-D482 IonicContact CZ-OD1 3.06Å; R430-D482 VanDerWaalsContact CZ-OD1 3.27Å; R430-D482 IonicContact NH1-OD1 2.74Å; R430-D482 PolarHBondContact NH1-OD1 3.23Å; R430-D482 IonicContact NH1-OD2 2.79Å; R430-D482 IonicContact NH2-OD1 2.67Å; R430-D482 PolarHBondContact NH2-OD1 3.31Å
431	S	92.4	Very high	94.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	25%	0.25	C	C	.	.			trans	-131	146	-169.5	-54.2	0	0	0	0	112.2	I427 L428 D459 Q461 I552	I427-S431 WeakPolarHBondContact O-CB 3.36Å; I427-S431 PolarHBondContact O-N 3.24Å; L428-S431 WeakPolarHBondContact CA-O 3.47Å; S431-D459 WeakPolarHBondContact CA-OD1 3.13Å; S431-D459 WeakPolarHBondContact CB-O 3.25Å; S431-D459 VanDerWaalsContact CB-OD1 3.27Å; S431-D459 WeakPolarHBondContact CB-OD1 3.35Å; S431-D459 PolarHBondContact OG-O 3.13Å; S431-Q461 VanDerWaalsContact OG-CG 3.32Å; S431-Q461 WeakPolarHBondContact OG-CG 3.46Å; S431-Q461 PolarHBondContact OG-NE2 3.13Å; S431-I552 VanDerWaalsContact O-CD1 3.26Å; S431-I552 WeakPolarHBondContact O-CD1 3.21Å
432	S	89.3	Confident	94.4	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.014	23%	0.226	C	C	.	.			trans	-121.5	-15.1	-176.9	66.2	0	0	0	0	114	I412 D459 F550 I552	I412-S432 WeakPolarHBondContact CD1-O 3.24Å; S432-D459 VanDerWaalsContact N-CG 3.27Å; S432-D459 PolarHBondContact N-OD1 3.47Å; S432-D459 PolarHBondContact N-OD2 2.87Å; S432-D459 PolarHBondContact OG-OD2 3.36Å; S432-F550 WeakPolarHBondContact OG-CE1 3.48Å; S432-I552 VanDerWaalsContact CB-CD1 3.46Å
433	E	90.3	Very high	94.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.219	C	C	.	.			trans	-146.9	137	-169.9	-177.2	54.7	-152.9	0	0	112.1	R404 R405 N408 F458 D459 M541	R404-E433 IonicContact CZ-OE1 2.64Å; R404-E433 IonicContact NH1-OE1 2.82Å; R404-E433 PolarHBondContact NH1-OE1 3.36Å; R404-E433 VanDerWaalsContact NH2-CD 3.3Å; R404-E433 IonicContact NH2-OE1 2.66Å; R404-E433 PolarHBondContact NH2-OE1 3.31Å; R404-E433 IonicContact NH2-OE2 3.54Å; R405-E433 HydrophobicContact CG-CB 4.1Å; R405-E433 HydrophobicContact CG-CG 4.16Å; R405-E433 WeakPolarHBondContact CG-OE2 3.25Å; N408-E433 PolarHBondContact ND2-OE1 2.89Å; N408-E433 PolarHBondContact ND2-OE2 2.81Å; E433-F458 VanDerWaalsContact O-CA 3.28Å; E433-F458 WeakPolarHBondContact O-CA 3.4Å; E433-F458 WeakPolarHBondContact O-CD1 3.38Å; E433-D459 PolarHBondContact N-OD1 3.3Å; E433-D459 PolarHBondContact O-N 3.03Å; E433-D459 VanDerWaalsContact O-OD1 3.13Å; E433-M541 HydrophobicContact CB-SD 4.2Å; E433-M541 HydrophobicContact CG-CE 4.28Å; E433-M541 HydrophobicContact CG-SD 4.4Å
434	L	93	Very high	94.3	Very high	26 Å²	26	38.9 Å²	38.9	14%	0.136	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	112.8	169.5	178.3	74.6	0	0	0	109.1	T437 F456 L457 F458 F621	L434-T437 HydrophobicContact CD2-CG2 4.42Å; L434-F456 HydrophobicContact CD1-CB 3.96Å; L434-F456 HydrophobicContact CD1-CD1 4.4Å; L434-L457 WeakPolarHBondContact CD1-O 3.26Å; L434-F458 HydrophobicContact CB-CD1 3.99Å; L434-F458 HydrophobicContact CB-CE1 3.73Å; L434-F458 HydrophobicContact CB-CZ 4.49Å; L434-F458 HydrophobicContact CD1-CD1 4.03Å; L434-F458 HydrophobicContact CD1-CD2 4.29Å; L434-F458 HydrophobicContact CD1-CE1 3.67Å; L434-F458 HydrophobicContact CD1-CE2 3.96Å; L434-F458 HydrophobicContact CD1-CG 4.32Å; L434-F458 HydrophobicContact CD1-CZ 3.63Å; L434-F458 HydrophobicContact CG-CE1 4.27Å; L434-F621 HydrophobicContact CD2-CD1 3.53Å; L434-F621 HydrophobicContact CD2-CE1 3.7Å
435	I	92.1	Very high	94.3	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.072	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-45.8	-174.9	-61.7	168.9	0	0	0	110.7	L457 A534 E537 E538 M541	I435-L457 HydrophobicContact CB-CD2 4.48Å; I435-L457 HydrophobicContact CB-CG 4.4Å; I435-L457 HydrophobicContact CG2-CD2 4.35Å; I435-L457 PolarHBondContact N-O 3.25Å; I435-A534 HydrophobicContact CG2-CB 4.33Å; I435-E537 HydrophobicContact CG2-CB 4.41Å; I435-E538 HydrophobicContact CD1-CB 3.38Å; I435-E538 HydrophobicContact CD1-CG 3.29Å; I435-M541 HydrophobicContact CD1-CE 4.07Å; I435-M541 HydrophobicContact CD1-SD 4.01Å; I435-M541 HydrophobicContact CG1-CE 3.93Å; I435-M541 HydrophobicContact CG1-SD 4.24Å
436	Y	95.5	Very high	94.2	Very high	46 Å²	46	37.9 Å²	37.9	18%	0.18	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	154.6	-179.9	-164	-119.9	0	0	0	113.1	L457 R530 W531 A534	Y436-L457 PolarHBondContact N-O 3.18Å; Y436-L457 PolarHBondContact O-N 3.36Å; Y436-R530 HydrophobicContact CE1-CB 4.25Å; Y436-R530 WeakPolarHBondContact OH-CD 3.48Å; Y436-W531 AromaticContact CD1-CD2 3.7Å; Y436-W531 HydrophobicContact CD1-CD2 3.7Å; Y436-W531 AromaticContact CD1-CE2 3.76Å; Y436-W531 AromaticContact CD1-CE3 3.83Å; Y436-W531 HydrophobicContact CD1-CE3 3.83Å; Y436-W531 HydrophobicContact CD1-CG 4.28Å; Y436-W531 HydrophobicContact CD1-CH2 4.05Å; Y436-W531 AromaticContact CD1-CZ2 3.97Å; Y436-W531 HydrophobicContact CD1-CZ2 3.97Å; Y436-W531 HydrophobicContact CD1-CZ3 4Å; Y436-W531 AromaticContact CE1-CD1 3.97Å; Y436-W531 AromaticContact CE1-CD2 3.82Å; Y436-W531 HydrophobicContact CE1-CD2 3.82Å; Y436-W531 AromaticContact CE1-CE2 3.65Å; Y436-W531 HydrophobicContact CE1-CE3 4.42Å; Y436-W531 HydrophobicContact CE1-CG 4.04Å; Y436-W531 HydrophobicContact CE1-CZ2 4.12Å; Y436-W531 AromaticContact CE1-NE1 3.74Å; Y436-A534 VanDerWaalsContact CB-CB 3.49Å; Y436-A534 HydrophobicContact CD1-CB 4.09Å; Y436-A534 HydrophobicContact CG-CB 3.88Å
437	T	95.2	Very high	94	Very high	40 Å²	40	43.2 Å²	43.2	25%	0.245	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.5	175.5	173.4	0	0	0	0	110.8	L434 F455 F456	L434-T437 HydrophobicContact CD2-CG2 4.42Å; T437-F455 WeakPolarHBondContact CA-O 3.47Å; T437-F455 PolarHBondContact OG1-O 2.99Å; T437-F456 WeakPolarHBondContact OG1-CD1 3.49Å; T437-F456 WeakPolarHBondContact OG1-CE1 3.41Å
438	G	93.9	Very high	93.9	Very high	17 Å²	17	44.6 Å²	44.6	18%	0.175	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	166	179.6	0	0	0	0	0	113.8	F455	G438-F455 PolarHBondContact N-O 2.85Å; G438-F455 PolarHBondContact O-N 3.41Å
439	E	95.8	Very high	93.9	Very high	76 Å²	76	54.5 Å²	54.5	36%	0.355	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.3	173.1	-69.2	-179.4	-175.3	0	0	110.2	R453 V454 K467 K523	E439-R453 WeakPolarHBondContact CA-O 3.4Å; E439-V454 HydrophobicContact CG-CG2 4.18Å; E439-K467 IonicContact OE1-NZ 3.45Å; E439-K467 PolarHBondContact OE1-NZ 3.43Å; E439-K523 IonicContact OE2-NZ 3.51Å; E439-K523 PolarHBondContact OE2-NZ 2.91Å
440	L	97.3	Very high	94.1	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.6	173.6	-65	169.7	0	0	0	110.2	R453 F455 F507 F520 A522 W531	L440-R453 PolarHBondContact N-O 3.45Å; L440-R453 PolarHBondContact O-N 2.88Å; L440-F455 HydrophobicContact CB-CD2 3.72Å; L440-F455 HydrophobicContact CB-CE2 3.65Å; L440-F455 HydrophobicContact CD1-CD2 4.05Å; L440-F455 HydrophobicContact CD1-CE2 4.46Å; L440-F455 HydrophobicContact CG-CD2 4.18Å; L440-F507 HydrophobicContact CD1-CE1 4.24Å; L440-F507 HydrophobicContact CD1-CZ 3.78Å; L440-F520 HydrophobicContact CD1-CB 4.28Å; L440-F520 HydrophobicContact CD1-CD1 3.97Å; L440-A522 HydrophobicContact CD2-CB 3.83Å; L440-W531 HydrophobicContact CD1-CD2 3.84Å; L440-W531 VanDerWaalsContact CD1-CE2 3.48Å; L440-W531 HydrophobicContact CD1-CE3 4.44Å; L440-W531 HydrophobicContact CD1-CG 4.17Å; L440-W531 HydrophobicContact CD1-CH2 4.45Å; L440-W531 HydrophobicContact CD1-CZ2 3.81Å; L440-W531 HydrophobicContact CG-CZ2 4.17Å
441	S	97.5	Very high	94.3	Very high	19 Å²	19	52.7 Å²	52.7	13%	0.133	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	138.1	160.2	-29.3	0	0	0	0	107.3	Q451 Q452 F520 L521	S441-Q451 CarbonylContact C-O 3.5Å; S441-Q451 WeakPolarHBondContact CA-O 3.43Å; S441-Q452 PolarHBondContact OG-NE2 3.44Å; S441-F520 CarbonylContact O-C 3.43Å; S441-F520 WeakPolarHBondContact O-CA 3.49Å; S441-L521 PolarHBondContact N-O 2.94Å; S441-L521 PolarHBondContact O-N 3.19Å
442	W	97.6	Very high	94.5	Very high	15 Å²	15	57.3 Å²	57.3	6%	0.057	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	156.5	176.8	84.4	-46.4	0	0	0	111.6	Y444 S450 Q451 F455 L464 I481 I519 F520	W442-Y444 AromaticContact CH2-CD2 3.5Å; W442-Y444 HydrophobicContact CH2-CD2 3.5Å; W442-Y444 HydrophobicContact CH2-CE2 4.44Å; W442-Y444 HydrophobicContact CH2-CG 4.17Å; W442-Y444 HydrophobicContact CZ2-CD2 4.39Å; W442-Y444 AromaticContact CZ3-CD2 3.75Å; W442-Y444 HydrophobicContact CZ3-CD2 3.75Å; W442-S450 WeakPolarHBondContact O-CA 3.47Å; W442-Q451 PolarHBondContact N-O 3.37Å; W442-Q451 PolarHBondContact O-N 2.87Å; W442-F455 HydrophobicContact CB-CE2 4.41Å; W442-F455 HydrophobicContact CB-CZ 3.89Å; W442-F455 HydrophobicContact CD2-CE1 4.37Å; W442-F455 AromaticContact CD2-CZ 3.86Å; W442-F455 HydrophobicContact CD2-CZ 3.86Å; W442-F455 HydrophobicContact CE3-CE1 4.42Å; W442-F455 HydrophobicContact CE3-CZ 4.29Å; W442-F455 HydrophobicContact CG-CE2 4.44Å; W442-F455 AromaticContact CG-CZ 3.65Å; W442-F455 HydrophobicContact CG-CZ 3.65Å; W442-L464 HydrophobicContact CH2-CD1 4Å; W442-L464 HydrophobicContact CH2-CD2 4.08Å; W442-L464 HydrophobicContact CZ2-CD1 3.53Å; W442-L464 HydrophobicContact CZ2-CD2 4.45Å; W442-I481 HydrophobicContact CZ3-CD1 4.21Å; W442-I519 CarbonylContact C-O 3.55Å; W442-I519 WeakPolarHBondContact CA-O 3.36Å; W442-I519 WeakPolarHBondContact CB-O 3.14Å; W442-F520 HydrophobicContact CB-CD1 3.97Å; W442-F520 HydrophobicContact CB-CE1 4.23Å; W442-F520 HydrophobicContact CE3-CE1 4.06Å; W442-F520 HydrophobicContact CE3-CZ 4.07Å
443	I	97.4	Very high	94.9	Very high	12 Å²	12	58.9 Å²	58.9	6%	0.062	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.3	170.6	-53.4	170.2	0	0	0	106.7	Q445 G448 F499 V501 I519	I443-Q445 VanDerWaalsContact CG2-O 3.24Å; I443-Q445 WeakPolarHBondContact CG2-O 3.49Å; I443-G448 WeakPolarHBondContact CG2-O 3.27Å; I443-F499 HydrophobicContact CB-CD1 4.13Å; I443-F499 HydrophobicContact CB-CE1 4.08Å; I443-F499 HydrophobicContact CG2-CD1 3.86Å; I443-F499 HydrophobicContact CG2-CE1 3.92Å; I443-V501 HydrophobicContact CD1-CG2 4.22Å; I443-I519 HydrophobicContact CB-CG2 3.69Å; I443-I519 HydrophobicContact CD1-CG2 4.07Å; I443-I519 HydrophobicContact CG1-CG2 4.11Å; I443-I519 PolarHBondContact N-O 2.96Å; I443-I519 PolarHBondContact O-N 2.81Å
444	Y	94.6	Very high	95.3	Very high	98 Å²	98	59.4 Å²	59.4	38%	0.384	29%	0.286	S	S	.	.	S	Bend	trans	-66.9	-38.4	-174.3	175.1	-108.9	0	0	0	113	W442 E516 I517 H518	W442-Y444 AromaticContact CH2-CD2 3.5Å; W442-Y444 HydrophobicContact CH2-CD2 3.5Å; W442-Y444 HydrophobicContact CH2-CE2 4.44Å; W442-Y444 HydrophobicContact CH2-CG 4.17Å; W442-Y444 HydrophobicContact CZ2-CD2 4.39Å; W442-Y444 AromaticContact CZ3-CD2 3.75Å; W442-Y444 HydrophobicContact CZ3-CD2 3.75Å; Y444-E516 PolarHBondContact OH-OE1 2.82Å; Y444-I517 VanDerWaalsContact O-O 3.13Å; Y444-H518 AromaticContact CD2-CE1 3.49Å; Y444-H518 VanDerWaalsContact CD2-CE1 3.49Å; Y444-H518 WeakPolarHBondContact CD2-CE1 3.41Å; Y444-H518 AromaticContact CD2-ND1 3.74Å; Y444-H518 AromaticContact CE2-CE1 3.24Å; Y444-H518 WeakPolarHBondContact CE2-CE1 3.45Å; Y444-H518 AromaticContact CE2-ND1 3.97Å; Y444-H518 AromaticContact CE2-NE2 3.92Å; Y444-H518 PolarHBondContact O-CE1 2.96Å; Y444-H518 PolarHBondContact O-ND1 3.13Å
445	Q	94.5	Very high	95.5	Very high	110 Å²	110	58.2 Å²	58.2	51%	0.514	28%	0.279	S	S	.	.	S	Bend	trans	-146.9	159	179.6	65.8	-176.6	39	0	0	109.9	I443 Y447 G448 F499	I443-Q445 VanDerWaalsContact CG2-O 3.24Å; I443-Q445 WeakPolarHBondContact CG2-O 3.49Å; Q445-Y447 PolarHBondContact O-N 3.05Å; Q445-G448 WeakPolarHBondContact O-CA 3.28Å; Q445-G448 PolarHBondContact O-N 3.41Å; Q445-F499 VanDerWaalsContact C-CE1 3.47Å
446	P	93.6	Very high	95.8	Very high	46 Å²	46	58.2 Å²	58.2	30%	0.299	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	138.4	174.1	-30.8	37.6	0	0	0	112.3	G448 F499 I517	P446-G448 PolarHBondContact O-N 2.79Å; P446-G448 VanDerWaalsContact O-N 3.1Å; P446-F499 HydrophobicContact CG-CE1 4.38Å; P446-I517 HydrophobicContact CG-CG2 3.95Å
447	Y	91.1	Very high	95.9	Very high	193 Å²	193	56 Å²	56	76%	0.757	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	6	-173.9	-42.5	-72.6	0	0	0	115.9	Q445 N500	Q445-Y447 PolarHBondContact O-N 3.05Å; Y447-N500 HydrophobicContact CE1-CB 4.43Å
448	G	92.6	Very high	96	Very high	29 Å²	29	54.3 Å²	54.3	30%	0.299	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-70	163	174.5	0	0	0	0	0	113.3	I443 Q445 P446	I443-G448 WeakPolarHBondContact CG2-O 3.27Å; Q445-G448 WeakPolarHBondContact O-CA 3.28Å; Q445-G448 PolarHBondContact O-N 3.41Å; P446-G448 PolarHBondContact O-N 2.79Å; P446-G448 VanDerWaalsContact O-N 3.1Å
449	R	94.7	Very high	96	Very high	217 Å²	217	53.7 Å²	53.7	82%	0.819	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-77.4	139	173.8	-66.9	-175.7	-174.6	172.2	2.8	110.8
450	S	95.8	Very high	96	Very high	76 Å²	76	51.7 Å²	51.7	53%	0.531	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-67.4	134.1	169.1	-176.4	0	0	0	0	111	W442	W442-S450 WeakPolarHBondContact O-CA 3.47Å
451	Q	96.8	Very high	96	Very high	65 Å²	65	51.6 Å²	51.6	30%	0.304	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.3	-177.1	-60.8	173.6	36.4	0	0	109.9	S441 W442 R453	S441-Q451 CarbonylContact C-O 3.5Å; S441-Q451 WeakPolarHBondContact CA-O 3.43Å; W442-Q451 PolarHBondContact N-O 3.37Å; W442-Q451 PolarHBondContact O-N 2.87Å; Q451-R453 VanDerWaalsContact OE1-CZ 3.26Å
452	Q	96.4	Very high	96.1	Very high	99 Å²	99	50.7 Å²	50.7	46%	0.463	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.4	169.4	-67.5	-73.3	-30.4	0	0	109.2	S441	S441-Q452 PolarHBondContact OG-NE2 3.44Å
453	R	97.6	Very high	96.1	Very high	35 Å²	35	50 Å²	50	13%	0.132	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.4	177.5	-69.2	-64.8	-178.3	-83.5	-2	110.5	E439 L440 Q451 F455 L464 C465	E439-R453 WeakPolarHBondContact CA-O 3.4Å; L440-R453 PolarHBondContact N-O 3.45Å; L440-R453 PolarHBondContact O-N 2.88Å; Q451-R453 VanDerWaalsContact OE1-CZ 3.26Å; R453-F455 HydrophobicContact CB-CD2 4.13Å; R453-F455 HydrophobicContact CB-CE2 3.5Å; R453-F455 VanDerWaalsContact CB-CE2 3.5Å; R453-F455 HydrophobicContact CB-CZ 3.73Å; R453-F455 HydrophobicContact CG-CZ 4.42Å; R453-L464 HydrophobicContact CG-CD1 4.09Å; R453-C465 WeakPolarHBondContact CA-O 3.3Å; R453-C465 VanDerWaalsContact CD-O 3.24Å; R453-C465 WeakPolarHBondContact CD-O 3.3Å
454	V	97.5	Very high	96.2	Very high	12 Å²	12	49.6 Å²	49.6	7%	0.073	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.2	166.4	-166.9	0	0	0	0	106.7	E439 F456 L464 C465 K467 L475	E439-V454 HydrophobicContact CG-CG2 4.18Å; V454-F456 HydrophobicContact CB-CE2 3.85Å; V454-F456 HydrophobicContact CB-CZ 4.21Å; V454-F456 HydrophobicContact CG1-CD2 4.42Å; V454-F456 HydrophobicContact CG1-CE1 4.35Å; V454-F456 HydrophobicContact CG1-CE2 3.55Å; V454-F456 HydrophobicContact CG1-CZ 3.51Å; V454-L464 WeakPolarHBondContact O-CA 3.38Å; V454-C465 PolarHBondContact N-O 3.45Å; V454-C465 PolarHBondContact O-N 2.67Å; V454-K467 HydrophobicContact CG2-CD 3.95Å; V454-K467 HydrophobicContact CG2-CG 3.75Å; V454-L475 HydrophobicContact CG2-CD2 4.17Å
455	F	98.1	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	140	-178.2	-69.6	-88.7	0	0	0	110	T437 G438 L440 W442 R453 L462 V463 L464 F520 W531	T437-F455 WeakPolarHBondContact CA-O 3.47Å; T437-F455 PolarHBondContact OG1-O 2.99Å; G438-F455 PolarHBondContact N-O 2.85Å; G438-F455 PolarHBondContact O-N 3.41Å; L440-F455 HydrophobicContact CB-CD2 3.72Å; L440-F455 HydrophobicContact CB-CE2 3.65Å; L440-F455 HydrophobicContact CD1-CD2 4.05Å; L440-F455 HydrophobicContact CD1-CE2 4.46Å; L440-F455 HydrophobicContact CG-CD2 4.18Å; W442-F455 HydrophobicContact CB-CE2 4.41Å; W442-F455 HydrophobicContact CB-CZ 3.89Å; W442-F455 HydrophobicContact CD2-CE1 4.37Å; W442-F455 AromaticContact CD2-CZ 3.86Å; W442-F455 HydrophobicContact CD2-CZ 3.86Å; W442-F455 HydrophobicContact CE3-CE1 4.42Å; W442-F455 HydrophobicContact CE3-CZ 4.29Å; W442-F455 HydrophobicContact CG-CE2 4.44Å; W442-F455 AromaticContact CG-CZ 3.65Å; W442-F455 HydrophobicContact CG-CZ 3.65Å; R453-F455 HydrophobicContact CB-CD2 4.13Å; R453-F455 HydrophobicContact CB-CE2 3.5Å; R453-F455 VanDerWaalsContact CB-CE2 3.5Å; R453-F455 HydrophobicContact CB-CZ 3.73Å; R453-F455 HydrophobicContact CG-CZ 4.42Å; F455-L462 HydrophobicContact CB-CD1 4.03Å; F455-L462 HydrophobicContact CD1-CD1 4.3Å; F455-L462 HydrophobicContact CD1-CD2 4.08Å; F455-L462 HydrophobicContact CD1-CG 4.13Å; F455-V463 CarbonylContact C-O 3.57Å; F455-V463 WeakPolarHBondContact CA-O 3.37Å; F455-L464 HydrophobicContact CD1-CB 3.68Å; F455-L464 HydrophobicContact CE1-CB 3.55Å; F455-L464 HydrophobicContact CE1-CD2 4.28Å; F455-L464 HydrophobicContact CE1-CG 4.37Å; F455-L464 HydrophobicContact CG-CB 4.49Å; F455-L464 HydrophobicContact CZ-CB 4.31Å; F455-F520 HydrophobicContact CD1-CE1 4.13Å; F455-F520 HydrophobicContact CE1-CD1 4.26Å; F455-F520 AromaticContact CE1-CE1 3.54Å; F455-F520 HydrophobicContact CE1-CE1 3.54Å; F455-F520 HydrophobicContact CE2-CD1 4.4Å; F455-F520 HydrophobicContact CE2-CE1 4.46Å; F455-F520 HydrophobicContact CZ-CD1 4.05Å; F455-F520 AromaticContact CZ-CE1 3.72Å; F455-F520 HydrophobicContact CZ-CE1 3.72Å; F455-W531 HydrophobicContact CB-CH2 3.43Å; F455-W531 VanDerWaalsContact CB-CH2 3.43Å; F455-W531 HydrophobicContact CB-CZ2 3.88Å; F455-W531 HydrophobicContact CB-CZ3 4.33Å
456	F	98.1	Very high	96.4	Very high	15 Å²	15	44.7 Å²	44.7	7%	0.066	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	104.1	-179.6	-58.8	-94.6	0	0	0	107.8	W415 L434 T437 V454 F458 V463 C465 L475	W415-F456 AromaticContact CE2-CE1 3.87Å; W415-F456 HydrophobicContact CH2-CB 4.02Å; W415-F456 HydrophobicContact CH2-CD1 4.1Å; W415-F456 AromaticContact CH2-CD2 3.81Å; W415-F456 HydrophobicContact CH2-CD2 3.81Å; W415-F456 HydrophobicContact CH2-CE2 4.31Å; W415-F456 AromaticContact CH2-CG 3.7Å; W415-F456 HydrophobicContact CH2-CG 3.7Å; W415-F456 HydrophobicContact CZ2-CB 4.3Å; W415-F456 AromaticContact CZ2-CD1 3.54Å; W415-F456 HydrophobicContact CZ2-CD1 3.54Å; W415-F456 AromaticContact CZ2-CD2 3.52Å; W415-F456 HydrophobicContact CZ2-CD2 3.52Å; W415-F456 AromaticContact CZ2-CE1 3.61Å; W415-F456 HydrophobicContact CZ2-CE1 3.61Å; W415-F456 AromaticContact CZ2-CE2 3.6Å; W415-F456 HydrophobicContact CZ2-CE2 3.6Å; W415-F456 AromaticContact CZ2-CG 3.51Å; W415-F456 HydrophobicContact CZ2-CG 3.51Å; W415-F456 AromaticContact CZ2-CZ 3.64Å; W415-F456 HydrophobicContact CZ2-CZ 3.64Å; W415-F456 AromaticContact NE1-CE1 3.79Å; L434-F456 HydrophobicContact CD1-CB 3.96Å; L434-F456 HydrophobicContact CD1-CD1 4.4Å; T437-F456 WeakPolarHBondContact OG1-CD1 3.49Å; T437-F456 WeakPolarHBondContact OG1-CE1 3.41Å; V454-F456 HydrophobicContact CB-CE2 3.85Å; V454-F456 HydrophobicContact CB-CZ 4.21Å; V454-F456 HydrophobicContact CG1-CD2 4.42Å; V454-F456 HydrophobicContact CG1-CE1 4.35Å; V454-F456 HydrophobicContact CG1-CE2 3.55Å; V454-F456 HydrophobicContact CG1-CZ 3.51Å; F456-F458 HydrophobicContact CB-CD2 4.36Å; F456-F458 HydrophobicContact CB-CE2 3.64Å; F456-F458 HydrophobicContact CB-CZ 4.28Å; F456-F458 WeakPolarHBondContact O-CD2 3.28Å; F456-V463 HydrophobicContact CB-CB 4.39Å; F456-V463 PolarHBondContact N-O 2.77Å; F456-V463 PolarHBondContact O-N 3.42Å; F456-C465 HydrophobicContact CE2-CB 4.04Å; F456-L475 HydrophobicContact CE2-CD1 4.14Å; F456-L475 HydrophobicContact CZ-CD1 3.63Å
457	L	98	Very high	96.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.9	179.8	-179	64	0	0	0	109.2	L434 I435 Y436 L462 M483 W531 A534 F535 E538	L434-L457 WeakPolarHBondContact CD1-O 3.26Å; I435-L457 HydrophobicContact CB-CD2 4.48Å; I435-L457 HydrophobicContact CB-CG 4.4Å; I435-L457 HydrophobicContact CG2-CD2 4.35Å; I435-L457 PolarHBondContact N-O 3.25Å; Y436-L457 PolarHBondContact N-O 3.18Å; Y436-L457 PolarHBondContact O-N 3.36Å; L457-L462 HydrophobicContact CB-CD1 3.86Å; L457-L462 HydrophobicContact CD1-CB 4.23Å; L457-L462 HydrophobicContact CD1-CD1 4.09Å; L457-M483 HydrophobicContact CD1-CG 4.08Å; L457-M483 HydrophobicContact CD1-SD 4.47Å; L457-W531 HydrophobicContact CB-CZ3 4.15Å; L457-A534 HydrophobicContact CD2-CB 3.86Å; L457-F535 HydrophobicContact CD1-CD1 3.92Å; L457-F535 HydrophobicContact CD1-CE1 3.76Å; L457-F535 HydrophobicContact CD2-CD1 3.84Å; L457-F535 HydrophobicContact CD2-CE1 4.12Å; L457-F535 HydrophobicContact CD2-CG 4.34Å; L457-E538 HydrophobicContact CD1-CG 4.06Å; L457-E538 HydrophobicContact CD2-CB 4.1Å; L457-E538 HydrophobicContact CD2-CG 4.44Å; L457-E538 HydrophobicContact CG-CB 4.4Å; L457-E538 HydrophobicContact CG-CG 4.2Å
458	F	96.8	Very high	96.6	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.013	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	166.2	169.4	-59.7	-91.3	0	0	0	109.5	I412 W415 I427 E433 L434 F456 H460 Q461 V463 E538	I412-F458 HydrophobicContact CD1-CD1 4.38Å; I412-F458 HydrophobicContact CD1-CE1 4.19Å; I412-F458 HydrophobicContact CG1-CE1 4.16Å; I412-F458 HydrophobicContact CG2-CE1 4.16Å; W415-F458 AromaticContact CE3-CZ 3.88Å; W415-F458 HydrophobicContact CE3-CZ 3.88Å; W415-F458 HydrophobicContact CH2-CE2 4.19Å; W415-F458 HydrophobicContact CH2-CZ 4.27Å; W415-F458 AromaticContact CZ3-CE2 3.78Å; W415-F458 HydrophobicContact CZ3-CE2 3.78Å; W415-F458 AromaticContact CZ3-CZ 3.58Å; W415-F458 HydrophobicContact CZ3-CZ 3.58Å; I427-F458 HydrophobicContact CD1-CE2 4.33Å; I427-F458 HydrophobicContact CD1-CZ 4.07Å; I427-F458 HydrophobicContact CG2-CD1 3.93Å; I427-F458 HydrophobicContact CG2-CD2 4.39Å; I427-F458 HydrophobicContact CG2-CE1 4.03Å; I427-F458 HydrophobicContact CG2-CE2 4.47Å; I427-F458 HydrophobicContact CG2-CG 4.13Å; I427-F458 HydrophobicContact CG2-CZ 4.31Å; E433-F458 VanDerWaalsContact O-CA 3.28Å; E433-F458 WeakPolarHBondContact O-CA 3.4Å; E433-F458 WeakPolarHBondContact O-CD1 3.38Å; L434-F458 HydrophobicContact CB-CD1 3.99Å; L434-F458 HydrophobicContact CB-CE1 3.73Å; L434-F458 HydrophobicContact CB-CZ 4.49Å; L434-F458 HydrophobicContact CD1-CD1 4.03Å; L434-F458 HydrophobicContact CD1-CD2 4.29Å; L434-F458 HydrophobicContact CD1-CE1 3.67Å; L434-F458 HydrophobicContact CD1-CE2 3.96Å; L434-F458 HydrophobicContact CD1-CG 4.32Å; L434-F458 HydrophobicContact CD1-CZ 3.63Å; L434-F458 HydrophobicContact CG-CE1 4.27Å; F456-F458 HydrophobicContact CB-CD2 4.36Å; F456-F458 HydrophobicContact CB-CE2 3.64Å; F456-F458 HydrophobicContact CB-CZ 4.28Å; F456-F458 WeakPolarHBondContact O-CD2 3.28Å; F458-H460 PolarHBondContact O-N 3.42Å; F458-Q461 CarbonylContact C-O 3.59Å; F458-Q461 WeakPolarHBondContact CA-O 3.44Å; F458-Q461 HydrophobicContact CB-CG 4.27Å; F458-Q461 PolarHBondContact N-O 3.22Å; F458-Q461 PolarHBondContact O-N 3.01Å; F458-Q461 VanDerWaalsContact O-O 3.04Å; F458-V463 HydrophobicContact CD2-CG2 4.24Å; F458-V463 HydrophobicContact CE2-CB 4.37Å; F458-V463 HydrophobicContact CE2-CG2 4.16Å; F458-E538 WeakPolarHBondContact O-CG 3.49Å
459	D	94	Very high	96.5	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.027	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	131	162.1	50.5	-35.8	0	0	0	110.1	S431 S432 E433 Q461 M541 V542	S431-D459 WeakPolarHBondContact CA-OD1 3.13Å; S431-D459 WeakPolarHBondContact CB-O 3.25Å; S431-D459 VanDerWaalsContact CB-OD1 3.27Å; S431-D459 WeakPolarHBondContact CB-OD1 3.35Å; S431-D459 PolarHBondContact OG-O 3.13Å; S432-D459 VanDerWaalsContact N-CG 3.27Å; S432-D459 PolarHBondContact N-OD1 3.47Å; S432-D459 PolarHBondContact N-OD2 2.87Å; S432-D459 PolarHBondContact OG-OD2 3.36Å; E433-D459 PolarHBondContact N-OD1 3.3Å; E433-D459 PolarHBondContact O-N 3.03Å; E433-D459 VanDerWaalsContact O-OD1 3.13Å; D459-Q461 PolarHBondContact O-N 2.99Å; D459-Q461 VanDerWaalsContact O-N 3.11Å; D459-M541 HydrophobicContact CB-SD 4.15Å; D459-V542 HydrophobicContact CB-CG2 4.32Å
460	H	96.8	Very high	96.2	Very high	33 Å²	33	42.2 Å²	42.2	15%	0.153	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	-16.9	-177.1	-54.3	-83.6	0	0	0	117.3	R430 F458 M483 D484 E538 V542	R430-H460 PolarHBondContact NH2-O 3.3Å; R430-H460 PolarHBondContact O-CD2 2.82Å; F458-H460 PolarHBondContact O-N 3.42Å; H460-M483 PolarHBondContact O-N 3.3Å; H460-D484 IonicContact CE1-OD2 3.02Å; H460-D484 IonicContact CG-OD2 3.6Å; H460-D484 IonicContact ND1-OD1 3.17Å; H460-D484 PolarHBondContact ND1-OD1 3.29Å; H460-D484 IonicContact ND1-OD2 3.91Å; H460-D484 PolarHBondContact ND1-OD2 3.43Å; H460-E538 PolarHBondContact N-OE1 2.94Å; H460-V542 VanDerWaalsContact CE1-CG1 3.4Å; H460-V542 WeakPolarHBondContact CE1-CG1 3.37Å
461	Q	97.6	Very high	96	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	148.2	-175.1	63.1	-169.6	-20.3	0	0	115.7	I427 S431 F458 D459 I481	I427-Q461 PolarHBondContact O-NE2 3.49Å; S431-Q461 VanDerWaalsContact OG-CG 3.32Å; S431-Q461 WeakPolarHBondContact OG-CG 3.46Å; S431-Q461 PolarHBondContact OG-NE2 3.13Å; F458-Q461 CarbonylContact C-O 3.59Å; F458-Q461 WeakPolarHBondContact CA-O 3.44Å; F458-Q461 HydrophobicContact CB-CG 4.27Å; F458-Q461 PolarHBondContact N-O 3.22Å; F458-Q461 PolarHBondContact O-N 3.01Å; F458-Q461 VanDerWaalsContact O-O 3.04Å; D459-Q461 PolarHBondContact O-N 2.99Å; D459-Q461 VanDerWaalsContact O-N 3.11Å; Q461-I481 CarbonylContact C-O 3.53Å; Q461-I481 VanDerWaalsContact CA-O 3.28Å; Q461-I481 WeakPolarHBondContact CA-O 3.26Å
462	L	98.4	Very high	95.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	110.7	175.6	177.9	65.4	0	0	0	110	F455 L457 R480 I481 M483 L509 F520 W531 F535	F455-L462 HydrophobicContact CB-CD1 4.03Å; F455-L462 HydrophobicContact CD1-CD1 4.3Å; F455-L462 HydrophobicContact CD1-CD2 4.08Å; F455-L462 HydrophobicContact CD1-CG 4.13Å; L457-L462 HydrophobicContact CB-CD1 3.86Å; L457-L462 HydrophobicContact CD1-CB 4.23Å; L457-L462 HydrophobicContact CD1-CD1 4.09Å; L462-R480 CarbonylContact O-C 3.5Å; L462-R480 WeakPolarHBondContact O-CA 3.46Å; L462-I481 HydrophobicContact CB-CB 4.29Å; L462-I481 HydrophobicContact CD2-CD1 4.33Å; L462-I481 PolarHBondContact N-O 2.92Å; L462-I481 PolarHBondContact O-N 3.38Å; L462-M483 HydrophobicContact CB-CG 4.07Å; L462-M483 HydrophobicContact CB-SD 3.8Å; L462-M483 HydrophobicContact CD2-SD 4.4Å; L462-L509 HydrophobicContact CD2-CD1 4.17Å; L462-F520 HydrophobicContact CD2-CE1 4.4Å; L462-F520 HydrophobicContact CD2-CZ 4.46Å; L462-W531 HydrophobicContact CD1-CZ3 4.21Å; L462-F535 HydrophobicContact CD2-CE1 4.16Å; L462-F535 HydrophobicContact CD2-CZ 4.08Å
463	V	98.4	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	139.8	177.9	177.8	0	0	0	0	110.1	W415 W422 F455 F456 F458 Y477 R480	W415-V463 HydrophobicContact CH2-CB 4.39Å; W415-V463 HydrophobicContact CH2-CG1 4Å; W422-V463 HydrophobicContact CH2-CG1 4.33Å; W422-V463 HydrophobicContact CH2-CG2 4.33Å; W422-V463 HydrophobicContact CZ3-CG1 4.19Å; F455-V463 CarbonylContact C-O 3.57Å; F455-V463 WeakPolarHBondContact CA-O 3.37Å; F456-V463 HydrophobicContact CB-CB 4.39Å; F456-V463 PolarHBondContact N-O 2.77Å; F456-V463 PolarHBondContact O-N 3.42Å; F458-V463 HydrophobicContact CD2-CG2 4.24Å; F458-V463 HydrophobicContact CE2-CB 4.37Å; F458-V463 HydrophobicContact CE2-CG2 4.16Å; V463-Y477 HydrophobicContact CG1-CD2 4Å; V463-Y477 HydrophobicContact CG1-CE2 3.97Å; V463-R480 HydrophobicContact CG2-CB 4.17Å
464	L	97.9	Very high	94.7	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.7	176.5	63.2	126.1	0	0	0	113	W442 R453 V454 F455 K478 G479	W442-L464 HydrophobicContact CH2-CD1 4Å; W442-L464 HydrophobicContact CH2-CD2 4.08Å; W442-L464 HydrophobicContact CZ2-CD1 3.53Å; W442-L464 HydrophobicContact CZ2-CD2 4.45Å; R453-L464 HydrophobicContact CG-CD1 4.09Å; V454-L464 WeakPolarHBondContact O-CA 3.38Å; F455-L464 HydrophobicContact CD1-CB 3.68Å; F455-L464 HydrophobicContact CE1-CB 3.55Å; F455-L464 HydrophobicContact CE1-CD2 4.28Å; F455-L464 HydrophobicContact CE1-CG 4.37Å; F455-L464 HydrophobicContact CG-CB 4.49Å; F455-L464 HydrophobicContact CZ-CB 4.31Å; L464-K478 HydrophobicContact CD1-CB 3.83Å; L464-K478 HydrophobicContact CG-CB 4.47Å; L464-K478 PolarHBondContact O-N 2.74Å; L464-G479 WeakPolarHBondContact CG-O 3.26Å; L464-G479 PolarHBondContact N-O 3.34Å
465	C	97.7	Very high	94.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	154.4	-178.2	-62.9	0	0	0	0	112	R453 V454 F456 L475 Y476	R453-C465 WeakPolarHBondContact CA-O 3.3Å; R453-C465 VanDerWaalsContact CD-O 3.24Å; R453-C465 WeakPolarHBondContact CD-O 3.3Å; V454-C465 PolarHBondContact N-O 3.45Å; V454-C465 PolarHBondContact O-N 2.67Å; F456-C465 HydrophobicContact CE2-CB 4.04Å; C465-L475 HydrophobicContact CB-CB 4.06Å; C465-L475 HydrophobicContact CB-CD2 4.17Å; C465-Y476 CarbonylContact C-O 3.56Å; C465-Y476 VanDerWaalsContact CA-O 3.23Å; C465-Y476 WeakPolarHBondContact CA-O 3.48Å; C465-Y476 WeakPolarHBondContact CB-O 3.29Å
466	K	97.2	Very high	94.6	Very high	106 Å²	106	52.8 Å²	52.8	46%	0.461	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.2	169.8	-178.1	-176.6	176.3	-170.4	0	109.3	Y476 K478	K466-Y476 PolarHBondContact N-O 2.94Å; K466-Y476 PolarHBondContact O-N 3.41Å; K466-K478 HydrophobicContact CB-CD 4.45Å; K466-K478 HydrophobicContact CB-CG 3.83Å
467	K	94.7	Very high	94.6	Very high	79 Å²	79	52.8 Å²	52.8	34%	0.343	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	140.7	170.8	-76	178.9	173	177.8	0	110.7	E439 V454 I474 L475	E439-K467 IonicContact OE1-NZ 3.45Å; E439-K467 PolarHBondContact OE1-NZ 3.43Å; V454-K467 HydrophobicContact CG2-CD 3.95Å; V454-K467 HydrophobicContact CG2-CG 3.75Å; K467-I474 WeakPolarHBondContact CA-O 3.29Å; K467-L475 HydrophobicContact CG-CD2 3.62Å
468	D	94.1	Very high	94.6	Very high	36 Å²	36	57.3 Å²	57.3	19%	0.193	26%	0.259	C	S	.	.			trans	-60.5	145.4	168.4	-169.6	-88.7	0	0	0	110.5	I470 R471 I474 Y476	D468-I470 VanDerWaalsContact C-N 3.31Å; D468-I470 PolarHBondContact O-N 2.74Å; D468-I470 PolarHBondContact OD1-N 2.91Å; D468-R471 HydrophobicContact CB-CB 4.2Å; D468-R471 VanDerWaalsContact CB-O 3.3Å; D468-R471 WeakPolarHBondContact CB-O 3.36Å; D468-R471 PolarHBondContact OD1-N 3.26Å; D468-I474 HydrophobicContact CB-CB 3.86Å; D468-I474 HydrophobicContact CB-CG2 4.11Å; D468-I474 PolarHBondContact N-O 3.2Å; D468-Y476 HydrophobicContact CB-CE2 3.7Å; D468-Y476 VanDerWaalsContact OD2-CE2 3.3Å; D468-Y476 WeakPolarHBondContact OD2-CE2 3.38Å; D468-Y476 PolarHBondContact OD2-OH 3.4Å
469	L	90.1	Very high	94.6	Very high	166 Å²	166	58 Å²	58	87%	0.869	27%	0.267	S	S	*	.	S	Bend	trans	-68.6	-34	-174.6	-173.7	62.5	0	0	0	112
470	I	89.3	Confident	94.8	Very high	152 Å²	152	60.7 Å²	60.7	78%	0.779	28%	0.277	S	S	*	.	S	Bend	trans	-99.6	-49	-177.2	-56.9	175	0	0	0	109	D468 R472	D468-I470 VanDerWaalsContact C-N 3.31Å; D468-I470 PolarHBondContact O-N 2.74Å; D468-I470 PolarHBondContact OD1-N 2.91Å; I470-R472 PolarHBondContact O-N 3.5Å
471	R	90.3	Very high	94.8	Very high	130 Å²	130	59.6 Å²	59.6	49%	0.491	27%	0.272	S	S	.	.			trans	-99.4	85	-175.9	-79.2	-166	57.4	-174.7	-9.3	112.2	D468 D473 I474	D468-R471 HydrophobicContact CB-CB 4.2Å; D468-R471 VanDerWaalsContact CB-O 3.3Å; D468-R471 WeakPolarHBondContact CB-O 3.36Å; D468-R471 PolarHBondContact OD1-N 3.26Å; R471-D473 WeakPolarHBondContact CB-OD1 3.45Å; R471-D473 IonicContact CZ-OD2 3.67Å; R471-D473 IonicContact NE-OD1 2.83Å; R471-D473 PolarHBondContact NE-OD1 3.04Å; R471-D473 IonicContact NE-OD2 2.6Å; R471-D473 IonicContact NH2-OD1 3.66Å; R471-D473 IonicContact NH2-OD2 3.63Å; R471-D473 PolarHBondContact NH2-OD2 3.14Å; R471-D473 PolarHBondContact O-N 3.37Å; R471-I474 HydrophobicContact CB-CB 4.31Å; R471-I474 HydrophobicContact CB-CD1 3.89Å; R471-I474 HydrophobicContact CB-CG1 3.99Å; R471-I474 HydrophobicContact CG-CD1 4.42Å; R471-I474 PolarHBondContact O-N 2.89Å
472	R	85.6	Confident	94.8	Very high	202 Å²	202	61.6 Å²	61.6	76%	0.762	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-13.4	-177	-64.6	-174.9	179.5	175.2	0.6	115.3	I470	I470-R472 PolarHBondContact O-N 3.5Å
473	D	85.4	Confident	94.8	Very high	71 Å²	71	61.7 Å²	61.7	38%	0.38	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-17.7	174.1	64.9	-54.6	0	0	0	114	R471 P616	R471-D473 WeakPolarHBondContact CB-OD1 3.45Å; R471-D473 IonicContact CZ-OD2 3.67Å; R471-D473 IonicContact NE-OD1 2.83Å; R471-D473 PolarHBondContact NE-OD1 3.04Å; R471-D473 IonicContact NE-OD2 2.6Å; R471-D473 IonicContact NH2-OD1 3.66Å; R471-D473 IonicContact NH2-OD2 3.63Å; R471-D473 PolarHBondContact NH2-OD2 3.14Å; R471-D473 PolarHBondContact O-N 3.37Å; D473-P616 HydrophobicContact CB-CB 4.4Å
474	I	92	Very high	94.7	Very high	29 Å²	29	64.1 Å²	64.1	15%	0.149	30%	0.296	C	S	.	.			trans	-88	133	175	-65.8	-179.1	0	0	0	110	L420 K467 D468 R471 Y476	L420-I474 HydrophobicContact CD1-CG2 3.55Å; L420-I474 HydrophobicContact CG-CG2 4.21Å; K467-I474 WeakPolarHBondContact CA-O 3.29Å; D468-I474 HydrophobicContact CB-CB 3.86Å; D468-I474 HydrophobicContact CB-CG2 4.11Å; D468-I474 PolarHBondContact N-O 3.2Å; R471-I474 HydrophobicContact CB-CB 4.31Å; R471-I474 HydrophobicContact CB-CD1 3.89Å; R471-I474 HydrophobicContact CB-CG1 3.99Å; R471-I474 HydrophobicContact CG-CD1 4.42Å; R471-I474 PolarHBondContact O-N 2.89Å; I474-Y476 HydrophobicContact CG2-CD2 4.34Å; I474-Y476 HydrophobicContact CG2-CE2 3.83Å
475	L	95.9	Very high	94.6	Very high	16 Å²	16	69.1 Å²	69.1	8%	0.084	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134	175	-64.4	174.1	0	0	0	109.9	V419 L420 V454 F456 C465 K467	V419-L475 HydrophobicContact CG2-CB 4.44Å; L420-L475 PolarHBondContact N-O 3.04Å; V454-L475 HydrophobicContact CG2-CD2 4.17Å; F456-L475 HydrophobicContact CE2-CD1 4.14Å; F456-L475 HydrophobicContact CZ-CD1 3.63Å; C465-L475 HydrophobicContact CB-CB 4.06Å; C465-L475 HydrophobicContact CB-CD2 4.17Å; K467-L475 HydrophobicContact CG-CD2 3.62Å
476	Y	97.6	Very high	94.6	Very high	61 Å²	61	69.8 Å²	69.8	24%	0.239	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.7	169.9	-59.4	-89	0	0	0	109.2	L420 D421 C465 K466 D468 I474	L420-Y476 HydrophobicContact CB-CD1 3.74Å; L420-Y476 HydrophobicContact CB-CE1 4.04Å; L420-Y476 HydrophobicContact CD1-CD1 4.18Å; L420-Y476 HydrophobicContact CD1-CE1 3.63Å; L420-Y476 HydrophobicContact CG-CE1 4.46Å; D421-Y476 WeakPolarHBondContact OD2-CD1 3.16Å; C465-Y476 CarbonylContact C-O 3.56Å; C465-Y476 VanDerWaalsContact CA-O 3.23Å; C465-Y476 WeakPolarHBondContact CA-O 3.48Å; C465-Y476 WeakPolarHBondContact CB-O 3.29Å; K466-Y476 PolarHBondContact N-O 2.94Å; K466-Y476 PolarHBondContact O-N 3.41Å; D468-Y476 HydrophobicContact CB-CE2 3.7Å; D468-Y476 VanDerWaalsContact OD2-CE2 3.3Å; D468-Y476 WeakPolarHBondContact OD2-CE2 3.38Å; D468-Y476 PolarHBondContact OD2-OH 3.4Å; I474-Y476 HydrophobicContact CG2-CD2 4.34Å; I474-Y476 HydrophobicContact CG2-CE2 3.83Å
477	Y	98.3	Very high	94.6	Very high	15 Å²	15	69 Å²	69	6%	0.059	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	140.7	173.8	177.6	-94.6	0	0	0	110.5	L420 D421 W422 E423 V463 G479 R480	L420-Y477 PolarHBondContact O-N 2.78Å; D421-Y477 WeakPolarHBondContact O-CB 3.48Å; W422-Y477 HydrophobicContact CD2-CD2 4.34Å; W422-Y477 AromaticContact CE3-CD2 3.69Å; W422-Y477 HydrophobicContact CE3-CD2 3.69Å; W422-Y477 HydrophobicContact CE3-CE2 4.3Å; W422-Y477 HydrophobicContact CE3-CG 4.25Å; W422-Y477 HydrophobicContact CH2-CD2 4.32Å; W422-Y477 HydrophobicContact CH2-CE2 4.26Å; W422-Y477 AromaticContact CZ3-CD2 3.68Å; W422-Y477 HydrophobicContact CZ3-CD2 3.68Å; W422-Y477 HydrophobicContact CZ3-CE2 4.08Å; E423-Y477 HydrophobicContact CB-CD1 4.08Å; E423-Y477 HydrophobicContact CB-CE1 3.73Å; E423-Y477 HydrophobicContact CG-CD1 4.34Å; E423-Y477 HydrophobicContact CG-CE1 4.4Å; E423-Y477 PolarHBondContact O-OH 3.26Å; V463-Y477 HydrophobicContact CG1-CD2 4Å; V463-Y477 HydrophobicContact CG1-CE2 3.97Å; Y477-G479 WeakPolarHBondContact CE2-O 3.33Å; Y477-G479 VanDerWaalsContact CZ-CA 3.48Å; Y477-R480 PolarHBondContact OH-N 2.77Å; Y477-R480 PolarHBondContact OH-NE 2.81Å
478	K	97.9	Very high	94.7	Very high	94 Å²	94	67.6 Å²	67.6	41%	0.409	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	3.6	-178.8	-69.4	-71.1	154	-102.3	0	113.8	L464 K466	L464-K478 HydrophobicContact CD1-CB 3.83Å; L464-K478 HydrophobicContact CG-CB 4.47Å; L464-K478 PolarHBondContact O-N 2.74Å; K466-K478 HydrophobicContact CB-CD 4.45Å; K466-K478 HydrophobicContact CB-CG 3.83Å
479	G	97.2	Very high	94.8	Very high	18 Å²	18	71.7 Å²	71.7	19%	0.186	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135.2	176.1	178.9	0	0	0	0	0	112.8	L464 Y477	L464-G479 WeakPolarHBondContact CG-O 3.26Å; L464-G479 PolarHBondContact N-O 3.34Å; Y477-G479 WeakPolarHBondContact CE2-O 3.33Å; Y477-G479 VanDerWaalsContact CZ-CA 3.48Å
480	R	97.6	Very high	95	Very high	62 Å²	62	68.6 Å²	68.6	23%	0.234	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	154.3	174.5	67.6	-176.5	77.3	-177	9.8	110	E423 D425 L462 V463 Y477	E423-R480 PolarHBondContact O-NH2 2.91Å; D425-R480 PolarHBondContact O-NH1 3.36Å; D425-R480 PolarHBondContact O-NH2 2.91Å; L462-R480 CarbonylContact O-C 3.5Å; L462-R480 WeakPolarHBondContact O-CA 3.46Å; V463-R480 HydrophobicContact CG2-CB 4.17Å; Y477-R480 PolarHBondContact OH-N 2.77Å; Y477-R480 PolarHBondContact OH-NE 2.81Å
481	I	97.6	Very high	95.2	Very high	10 Å²	10	61.7 Å²	61.7	5%	0.051	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.6	175.8	-61.3	170	0	0	0	107.7	W442 Q461 L462 M483 Y486 L509 F520	W442-I481 HydrophobicContact CZ3-CD1 4.21Å; Q461-I481 CarbonylContact C-O 3.53Å; Q461-I481 VanDerWaalsContact CA-O 3.28Å; Q461-I481 WeakPolarHBondContact CA-O 3.26Å; L462-I481 HydrophobicContact CB-CB 4.29Å; L462-I481 HydrophobicContact CD2-CD1 4.33Å; L462-I481 PolarHBondContact N-O 2.92Å; L462-I481 PolarHBondContact O-N 3.38Å; I481-M483 HydrophobicContact CG2-SD 4.3Å; I481-M483 PolarHBondContact O-N 3.5Å; I481-Y486 HydrophobicContact CG2-CD1 4.42Å; I481-Y486 HydrophobicContact CG2-CD2 3.56Å; I481-Y486 HydrophobicContact CG2-CE1 4.46Å; I481-Y486 HydrophobicContact CG2-CE2 3.62Å; I481-Y486 HydrophobicContact CG2-CG 3.97Å; I481-L509 HydrophobicContact CD1-CD1 4.26Å; I481-F520 HydrophobicContact CD1-CZ 4.09Å
482	D	97.4	Very high	95.2	Very high	43 Å²	43	62.8 Å²	62.8	23%	0.23	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	99.3	178	-175.5	24.1	0	0	0	110.6	R430 D484 R485 Y486	R430-D482 IonicContact CZ-OD1 3.06Å; R430-D482 VanDerWaalsContact CZ-OD1 3.27Å; R430-D482 IonicContact NH1-OD1 2.74Å; R430-D482 PolarHBondContact NH1-OD1 3.23Å; R430-D482 IonicContact NH1-OD2 2.79Å; R430-D482 IonicContact NH2-OD1 2.67Å; R430-D482 PolarHBondContact NH2-OD1 3.31Å; D482-D484 PolarHBondContact O-N 2.65Å; D482-D484 VanDerWaalsContact O-N 3.15Å; D482-R485 PolarHBondContact O-N 2.83Å; D482-R485 VanDerWaalsContact O-N 3.15Å; D482-R485 VanDerWaalsContact OD2-CD 3.22Å; D482-R485 WeakPolarHBondContact OD2-CD 3.35Å; D482-R485 WeakPolarHBondContact OD2-CG 3.41Å; D482-Y486 VanDerWaalsContact O-CD2 3.27Å; D482-Y486 WeakPolarHBondContact O-CD2 3.34Å
483	M	97.7	Very high	95.6	Very high	2 Å²	2	57 Å²	57	1%	0.01	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-66.5	-20.8	-168.5	-69.5	-57.5	-51.5	0	0	113.3	L457 H460 L462 I481 R485 Y486 V488 L509 F535 R539	L457-M483 HydrophobicContact CD1-CG 4.08Å; L457-M483 HydrophobicContact CD1-SD 4.47Å; H460-M483 PolarHBondContact O-N 3.3Å; L462-M483 HydrophobicContact CB-CG 4.07Å; L462-M483 HydrophobicContact CB-SD 3.8Å; L462-M483 HydrophobicContact CD2-SD 4.4Å; I481-M483 HydrophobicContact CG2-SD 4.3Å; I481-M483 PolarHBondContact O-N 3.5Å; M483-R485 PolarHBondContact O-N 2.88Å; M483-Y486 PolarHBondContact O-N 3.38Å; M483-V488 HydrophobicContact CE-CG2 4.46Å; M483-L509 HydrophobicContact CE-CD1 4.47Å; M483-L509 HydrophobicContact CE-CD2 4.24Å; M483-L509 HydrophobicContact SD-CD1 4.19Å; M483-F535 HydrophobicContact CE-CD1 3.48Å; M483-F535 VanDerWaalsContact CE-CD1 3.48Å; M483-F535 HydrophobicContact CE-CE1 3.53Å; M483-F535 HydrophobicContact SD-CD1 4.42Å; M483-F535 HydrophobicContact SD-CE1 3.95Å; M483-R539 VanDerWaalsContact CB-NH2 3.35Å
484	D	96.4	Very high	96	Very high	50 Å²	50	55.1 Å²	55.1	27%	0.267	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-63.1	-31.1	177.2	-63.3	-24.2	0	0	0	112.4	H460 D482 K512 R539	H460-D484 IonicContact CE1-OD2 3.02Å; H460-D484 IonicContact CG-OD2 3.6Å; H460-D484 IonicContact ND1-OD1 3.17Å; H460-D484 PolarHBondContact ND1-OD1 3.29Å; H460-D484 IonicContact ND1-OD2 3.91Å; H460-D484 PolarHBondContact ND1-OD2 3.43Å; D482-D484 PolarHBondContact O-N 2.65Å; D482-D484 VanDerWaalsContact O-N 3.15Å; D484-K512 PolarHBondContact O-NZ 2.8Å; D484-R539 IonicContact OD1-CZ 3.61Å; D484-R539 VanDerWaalsContact OD1-CZ 3.26Å; D484-R539 IonicContact OD1-NH1 3.42Å; D484-R539 PolarHBondContact OD1-NH1 2.96Å; D484-R539 IonicContact OD1-NH2 3.49Å; D484-R539 PolarHBondContact OD1-NH2 3.43Å
485	R	96.9	Very high	96.1	Very high	109 Å²	109	62.3 Å²	62.3	41%	0.411	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-91.7	-3.4	-178.7	-56.9	-176.5	68.8	-165.5	-1.5	113.5	D482 M483 N511 K512 D513	D482-R485 PolarHBondContact O-N 2.83Å; D482-R485 VanDerWaalsContact O-N 3.15Å; D482-R485 VanDerWaalsContact OD2-CD 3.22Å; D482-R485 WeakPolarHBondContact OD2-CD 3.35Å; D482-R485 WeakPolarHBondContact OD2-CG 3.41Å; M483-R485 PolarHBondContact O-N 2.88Å; R485-N511 CarbonylContact O-C 3.49Å; R485-N511 WeakPolarHBondContact O-CA 3.41Å; R485-K512 PolarHBondContact O-N 3.44Å; R485-D513 IonicContact CZ-OD2 3.26Å; R485-D513 VanDerWaalsContact CZ-OD2 3.28Å; R485-D513 IonicContact NE-OD2 2.93Å; R485-D513 PolarHBondContact NE-OD2 2.92Å; R485-D513 IonicContact NH2-OD2 3.72Å; R485-D513 PolarHBondContact NH2-OD2 2.72Å
486	Y	97.6	Very high	96	Very high	14 Å²	14	62 Å²	62	6%	0.055	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149.4	-175.1	-78.7	-97.9	0	0	0	113	I481 D482 M483 L509 F510 N511 E516 H518	I481-Y486 HydrophobicContact CG2-CD1 4.42Å; I481-Y486 HydrophobicContact CG2-CD2 3.56Å; I481-Y486 HydrophobicContact CG2-CE1 4.46Å; I481-Y486 HydrophobicContact CG2-CE2 3.62Å; I481-Y486 HydrophobicContact CG2-CG 3.97Å; D482-Y486 VanDerWaalsContact O-CD2 3.27Å; D482-Y486 WeakPolarHBondContact O-CD2 3.34Å; M483-Y486 PolarHBondContact O-N 3.38Å; Y486-L509 HydrophobicContact CD1-CB 3.74Å; Y486-L509 HydrophobicContact CE1-CB 4.44Å; Y486-L509 HydrophobicContact CG-CB 4.49Å; Y486-F510 CarbonylContact C-O 3.56Å; Y486-F510 VanDerWaalsContact CA-O 3.25Å; Y486-F510 WeakPolarHBondContact CA-O 3.05Å; Y486-F510 VanDerWaalsContact CD1-C 3.44Å; Y486-N511 HydrophobicContact CD1-CB 4.24Å; Y486-N511 HydrophobicContact CE1-CB 3.8Å; Y486-N511 HydrophobicContact CE2-CB 4.36Å; Y486-N511 WeakPolarHBondContact CE2-ND2 3.41Å; Y486-N511 PolarHBondContact OH-ND2 2.93Å; Y486-E516 WeakPolarHBondContact OH-CG 3.43Å; Y486-E516 PolarHBondContact OH-OE2 3.13Å; Y486-H518 AromaticContact CE1-CD2 3.61Å; Y486-H518 AromaticContact CE1-NE2 3.73Å; Y486-H518 AromaticContact CZ-NE2 3.7Å; Y486-H518 PolarHBondContact OH-NE2 2.87Å; Y486-H518 VanDerWaalsContact OH-NE2 3.14Å
487	E	96.6	Very high	95.7	Very high	91 Å²	91	65.9 Å²	65.9	43%	0.425	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.3	171	-65.9	-173.3	165.8	0	0	110.8	R489 L509 F510 K512	E487-R489 IonicContact OE2-NH2 3.11Å; E487-L509 WeakPolarHBondContact O-CA 3.37Å; E487-F510 PolarHBondContact N-O 2.87Å; E487-F510 PolarHBondContact O-N 3.09Å; E487-K512 HydrophobicContact CG-CD 4.09Å; E487-K512 HydrophobicContact CG-CG 3.76Å; E487-K512 WeakPolarHBondContact OE1-CE 3.21Å
488	V	97.3	Very high	95.4	Very high	48 Å²	48	68.7 Å²	68.7	29%	0.291	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.4	177.8	-169.6	0	0	0	0	109.5	M483 F507 K508 L509 L532 F535	M483-V488 HydrophobicContact CE-CG2 4.46Å; V488-F507 HydrophobicContact CG1-CD2 4.29Å; V488-K508 WeakPolarHBondContact CA-O 3.29Å; V488-L509 HydrophobicContact CB-CD2 4.09Å; V488-L509 HydrophobicContact CG1-CD2 4.23Å; V488-L509 HydrophobicContact CG2-CD2 3.47Å; V488-L509 VanDerWaalsContact CG2-CD2 3.47Å; V488-L532 HydrophobicContact CG1-CD2 3.67Å; V488-F535 HydrophobicContact CB-CB 4.44Å; V488-F535 HydrophobicContact CG1-CD2 4.08Å; V488-F535 HydrophobicContact CG1-CG 4.44Å; V488-F535 HydrophobicContact CG2-CB 3.56Å; V488-F535 HydrophobicContact CG2-CD1 3.96Å; V488-F535 HydrophobicContact CG2-CD2 4.04Å; V488-F535 HydrophobicContact CG2-CG 3.61Å
489	R	95.1	Very high	95.1	Very high	122 Å²	122	64.4 Å²	64.4	46%	0.46	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.4	173.6	-63.8	-168.8	-171.5	156.8	0.5	110.4	E487 K508 F510	E487-R489 IonicContact OE2-NH2 3.11Å; R489-K508 PolarHBondContact N-O 2.8Å; R489-K508 PolarHBondContact O-N 2.81Å; R489-F510 HydrophobicContact CB-CD2 4.15Å; R489-F510 HydrophobicContact CB-CE2 4.17Å; R489-F510 HydrophobicContact CG-CD2 3.89Å; R489-F510 HydrophobicContact CG-CE2 4.23Å
490	D	95	Very high	94.8	Very high	102 Å²	102	67.3 Å²	67.3	55%	0.545	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.3	174.4	-166.4	6.1	0	0	0	110.3	K528 L532	D490-K528 WeakPolarHBondContact OD1-CE 3.33Å; D490-K528 IonicContact OD1-NZ 3.11Å; D490-K528 PolarHBondContact OD1-NZ 3.1Å; D490-K528 IonicContact OD2-NZ 3.36Å; D490-L532 HydrophobicContact CB-CD1 4.44Å
491	A	93.1	Very high	94.6	Very high	6 Å²	6	66.8 Å²	66.8	5%	0.05	33%	0.333	C	S	.	.			trans	-104.3	134.1	177	0	0	0	0	0	110.4	A506 K508 K528	A491-A506 HydrophobicContact CB-CB 4.06Å; A491-A506 PolarHBondContact N-O 3.44Å; A491-K508 HydrophobicContact CB-CG 4.49Å; A491-K528 PolarHBondContact O-NZ 3.17Å
492	I	91.6	Very high	94.4	Very high	154 Å²	154	71.3 Å²	71.3	79%	0.79	37%	0.365	S	S	*	.			trans	-78.5	138	178.8	-56.4	175.4	0	0	0	108.9	G494	I492-G494 PolarHBondContact O-N 3.25Å
493	D	93.7	Very high	94.3	Very high	79 Å²	79	69.5 Å²	69.5	42%	0.422	36%	0.355	S	S	.	.	S	Bend	trans	-59.7	132.7	174.6	-76.4	3.2	0	0	0	110.4	K504 N505	D493-K504 WeakPolarHBondContact OD1-CA 3.47Å; D493-K504 WeakPolarHBondContact OD2-CG 3.49Å; D493-N505 PolarHBondContact OD1-N 3.22Å
494	G	94.1	Very high	94.2	Very high	33 Å²	33	76 Å²	76	34%	0.34	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	148.7	-142.1	-176.7	0	0	0	0	0	112.7	I492 S502 V503	I492-G494 PolarHBondContact O-N 3.25Å; G494-S502 CarbonylContact O-C 3.56Å; G494-S502 VanDerWaalsContact O-CA 3.23Å; G494-S502 WeakPolarHBondContact O-CA 3.37Å; G494-S502 PolarHBondContact O-OG 3.26Å; G494-S502 VanDerWaalsContact O-OG 3.12Å; G494-V503 PolarHBondContact N-O 2.97Å; G494-V503 PolarHBondContact O-N 3.16Å
495	R	93.8	Very high	94.2	Very high	179 Å²	179	74.3 Å²	74.3	68%	0.675	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	127.2	171	-172.3	174.6	-172.8	168	-0.6	108.3	N500	R495-N500 PolarHBondContact NE-OD1 2.81Å; R495-N500 PolarHBondContact NH2-OD1 2.81Å
496	D	94.3	Very high	94.2	Very high	11 Å²	11	69.1 Å²	69.1	6%	0.059	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.2	176.9	-164	-90.4	0	0	0	110.1	D498 F499 N500 V501 V503 K508 I519	D496-D498 PolarHBondContact OD1-N 3.13Å; D496-F499 WeakPolarHBondContact OD1-CD2 3.08Å; D496-F499 PolarHBondContact OD1-N 3.02Å; D496-F499 VanDerWaalsContact OD1-N 3.13Å; D496-N500 WeakPolarHBondContact O-CA 3.38Å; D496-N500 PolarHBondContact O-N 3.34Å; D496-V501 WeakPolarHBondContact CB-O 3.25Å; D496-V501 PolarHBondContact N-O 2.88Å; D496-V501 PolarHBondContact O-N 2.9Å; D496-V503 HydrophobicContact CB-CG1 3.81Å; D496-V503 HydrophobicContact CB-CG2 4.02Å; D496-K508 VanDerWaalsContact CG-CE 3.46Å; D496-K508 VanDerWaalsContact OD1-CE 3.31Å; D496-K508 WeakPolarHBondContact OD1-CE 3.46Å; D496-K508 IonicContact OD1-NZ 2.72Å; D496-K508 PolarHBondContact OD1-NZ 2.99Å; D496-K508 WeakPolarHBondContact OD2-CE 3.44Å; D496-K508 IonicContact OD2-NZ 3.41Å; D496-K508 PolarHBondContact OD2-NZ 3.31Å; D496-I519 HydrophobicContact CB-CD1 4.49Å
497	D	91.3	Very high	94.2	Very high	141 Å²	141	68.5 Å²	68.5	75%	0.754	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-38.1	-176.5	-66.4	-38.7	0	0	0	112.3	F499	D497-F499 PolarHBondContact O-N 3.49Å
498	D	90.3	Very high	94.3	Very high	74 Å²	74	65 Å²	65	40%	0.396	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-38	-177.4	-60	-37.6	0	0	0	111.8	D496 K508 I517	D496-D498 PolarHBondContact OD1-N 3.13Å; D498-K508 IonicContact OD2-NZ 2.65Å; D498-K508 PolarHBondContact OD2-NZ 3.43Å; D498-I517 HydrophobicContact CB-CD1 3.79Å; D498-I517 WeakPolarHBondContact OD2-CD1 3.26Å
499	F	92.4	Very high	94.3	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.018	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-8.8	-179.1	-71.1	-97.3	0	0	0	113.6	I443 Q445 P446 D496 D497 V501 I517 I519	I443-F499 HydrophobicContact CB-CD1 4.13Å; I443-F499 HydrophobicContact CB-CE1 4.08Å; I443-F499 HydrophobicContact CG2-CD1 3.86Å; I443-F499 HydrophobicContact CG2-CE1 3.92Å; Q445-F499 VanDerWaalsContact C-CE1 3.47Å; P446-F499 HydrophobicContact CG-CE1 4.38Å; D496-F499 WeakPolarHBondContact OD1-CD2 3.08Å; D496-F499 PolarHBondContact OD1-N 3.02Å; D496-F499 VanDerWaalsContact OD1-N 3.13Å; D497-F499 PolarHBondContact O-N 3.49Å; F499-V501 HydrophobicContact CB-CG2 3.68Å; F499-V501 PolarHBondContact O-N 2.67Å; F499-I517 HydrophobicContact CE2-CD1 3.72Å; F499-I517 HydrophobicContact CE2-CG1 3.94Å; F499-I517 HydrophobicContact CE2-CG2 4.2Å; F499-I517 HydrophobicContact CZ-CD1 4.46Å; F499-I517 HydrophobicContact CZ-CG1 4.25Å; F499-I517 HydrophobicContact CZ-CG2 4.06Å; F499-I519 HydrophobicContact CD1-CG2 3.63Å; F499-I519 HydrophobicContact CD2-CB 3.9Å; F499-I519 HydrophobicContact CD2-CD1 4.11Å; F499-I519 HydrophobicContact CD2-CG2 3.79Å; F499-I519 HydrophobicContact CE1-CB 4.25Å; F499-I519 HydrophobicContact CE1-CG2 3.55Å; F499-I519 HydrophobicContact CE2-CB 3.57Å; F499-I519 HydrophobicContact CE2-CG2 3.72Å; F499-I519 HydrophobicContact CG-CB 4.39Å; F499-I519 HydrophobicContact CG-CG2 3.75Å; F499-I519 HydrophobicContact CZ-CB 3.77Å; F499-I519 HydrophobicContact CZ-CG2 3.61Å
500	N	91.4	Very high	94.4	Very high	79 Å²	79	58.9 Å²	58.9	42%	0.422	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	39.5	-174.8	-168.3	30.7	0	0	0	113.4	Y447 R495 D496	Y447-N500 HydrophobicContact CE1-CB 4.43Å; R495-N500 PolarHBondContact NE-OD1 2.81Å; R495-N500 PolarHBondContact NH2-OD1 2.81Å; D496-N500 WeakPolarHBondContact O-CA 3.38Å; D496-N500 PolarHBondContact O-N 3.34Å
501	V	92.6	Very high	94.4	Very high	52 Å²	52	54.7 Å²	54.7	32%	0.315	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155	179.7	-66.7	0	0	0	0	110.8	I443 D496 F499 V503	I443-V501 HydrophobicContact CD1-CG2 4.22Å; D496-V501 WeakPolarHBondContact CB-O 3.25Å; D496-V501 PolarHBondContact N-O 2.88Å; D496-V501 PolarHBondContact O-N 2.9Å; F499-V501 HydrophobicContact CB-CG2 3.68Å; F499-V501 PolarHBondContact O-N 2.67Å; V501-V503 HydrophobicContact CG2-CG1 3.79Å
502	S	94.1	Very high	94.5	Very high	105 Å²	105	59.4 Å²	59.4	73%	0.734	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.5	170	-173.9	0	0	0	0	110	G494	G494-S502 CarbonylContact O-C 3.56Å; G494-S502 VanDerWaalsContact O-CA 3.23Å; G494-S502 WeakPolarHBondContact O-CA 3.37Å; G494-S502 PolarHBondContact O-OG 3.26Å; G494-S502 VanDerWaalsContact O-OG 3.12Å
503	V	95	Very high	94.6	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.024	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145	-174.3	-58.4	0	0	0	0	110.6	G494 D496 V501 A506 I519 L521	G494-V503 PolarHBondContact N-O 2.97Å; G494-V503 PolarHBondContact O-N 3.16Å; D496-V503 HydrophobicContact CB-CG1 3.81Å; D496-V503 HydrophobicContact CB-CG2 4.02Å; V501-V503 HydrophobicContact CG2-CG1 3.79Å; V503-A506 HydrophobicContact CB-CB 3.81Å; V503-A506 HydrophobicContact CG2-CB 4.15Å; V503-I519 HydrophobicContact CB-CD1 4.49Å; V503-I519 HydrophobicContact CG1-CD1 3.68Å; V503-L521 HydrophobicContact CB-CD2 4.31Å; V503-L521 HydrophobicContact CG1-CD2 4.25Å
504	K	95.9	Very high	94.6	Very high	140 Å²	140	56 Å²	56	61%	0.609	29%	0.294	S	S	*	.	S	Bend	trans	-141	137.7	174.1	-166.1	178.3	-176.8	172.9	0	109.2	D493 A506	D493-K504 WeakPolarHBondContact OD1-CA 3.47Å; D493-K504 WeakPolarHBondContact OD2-CG 3.49Å; K504-A506 PolarHBondContact O-N 2.79Å
505	N	96.4	Very high	94.4	Very high	14 Å²	14	63.9 Å²	63.9	8%	0.075	32%	0.321	C	S	.	.	S	Bend	trans	51.1	43.8	-174.9	-48.2	-52.7	0	0	0	111.9	D493 A522 K523 P525 K528	D493-N505 PolarHBondContact OD1-N 3.22Å; N505-A522 HydrophobicContact CB-CB 4.19Å; N505-A522 WeakPolarHBondContact CB-O 3.32Å; N505-A522 PolarHBondContact O-N 2.88Å; N505-K523 PolarHBondContact ND2-O 2.74Å; N505-P525 WeakPolarHBondContact OD1-CA 3.24Å; N505-P525 WeakPolarHBondContact OD1-CB 3.41Å; N505-K528 HydrophobicContact CB-CB 4.27Å; N505-K528 HydrophobicContact CB-CD 4.31Å
506	A	97.3	Very high	94.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	158.4	-176.1	0	0	0	0	0	113.2	A491 V503 K504 I519 F520 L521 K528	A491-A506 HydrophobicContact CB-CB 4.06Å; A491-A506 PolarHBondContact N-O 3.44Å; V503-A506 HydrophobicContact CB-CB 3.81Å; V503-A506 HydrophobicContact CG2-CB 4.15Å; K504-A506 PolarHBondContact O-N 2.79Å; A506-I519 HydrophobicContact CB-CD1 4.36Å; A506-I519 HydrophobicContact CB-CG1 4.35Å; A506-F520 CarbonylContact C-O 3.56Å; A506-F520 WeakPolarHBondContact CA-O 3.32Å; A506-F520 VanDerWaalsContact CB-O 3.29Å; A506-F520 WeakPolarHBondContact CB-O 3.42Å; A506-L521 HydrophobicContact CB-CG 4.21Å; A506-K528 VanDerWaalsContact O-CE 3.23Å; A506-K528 WeakPolarHBondContact O-CE 3.06Å; A506-K528 PolarHBondContact O-NZ 2.88Å
507	F	97.9	Very high	94.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	164	167.2	62.5	-92.1	0	0	0	109.1	L440 V488 F520 K528 W531 L532 F535	L440-F507 HydrophobicContact CD1-CE1 4.24Å; L440-F507 HydrophobicContact CD1-CZ 3.78Å; V488-F507 HydrophobicContact CG1-CD2 4.29Å; F507-F520 HydrophobicContact CD1-CB 4.23Å; F507-F520 HydrophobicContact CD2-CB 3.98Å; F507-F520 HydrophobicContact CD2-CD2 4.08Å; F507-F520 HydrophobicContact CD2-CG 4.26Å; F507-F520 HydrophobicContact CE1-CB 3.81Å; F507-F520 HydrophobicContact CE2-CB 3.5Å; F507-F520 VanDerWaalsContact CE2-CB 3.5Å; F507-F520 HydrophobicContact CE2-CD1 4.33Å; F507-F520 AromaticContact CE2-CD2 3.68Å; F507-F520 HydrophobicContact CE2-CD2 3.68Å; F507-F520 AromaticContact CE2-CG 3.57Å; F507-F520 HydrophobicContact CE2-CG 3.57Å; F507-F520 HydrophobicContact CG-CB 4.32Å; F507-F520 HydrophobicContact CZ-CB 3.41Å; F507-F520 VanDerWaalsContact CZ-CB 3.41Å; F507-F520 HydrophobicContact CZ-CD1 4.35Å; F507-F520 HydrophobicContact CZ-CD2 4.4Å; F507-F520 AromaticContact CZ-CG 3.82Å; F507-F520 HydrophobicContact CZ-CG 3.82Å; F507-F520 PolarHBondContact N-O 3.08Å; F507-F520 PolarHBondContact O-N 2.89Å; F507-K528 HydrophobicContact CD1-CG 4.47Å; F507-W531 HydrophobicContact CE1-CB 3.74Å; F507-W531 HydrophobicContact CE1-CG 4.14Å; F507-W531 HydrophobicContact CZ-CB 3.93Å; F507-W531 HydrophobicContact CZ-CD2 4.49Å; F507-W531 HydrophobicContact CZ-CG 4.16Å; F507-L532 HydrophobicContact CB-CD2 3.87Å; F507-L532 HydrophobicContact CG-CD2 4.16Å; F507-F535 HydrophobicContact CD2-CE2 4.22Å; F507-F535 HydrophobicContact CE2-CD2 4.31Å; F507-F535 AromaticContact CE2-CE2 3.4Å; F507-F535 HydrophobicContact CE2-CE2 3.4Å; F507-F535 VanDerWaalsContact CE2-CE2 3.4Å; F507-F535 HydrophobicContact CE2-CZ 4.05Å; F507-F535 AromaticContact CZ-CE2 3.75Å; F507-F535 HydrophobicContact CZ-CE2 3.75Å; F507-F535 HydrophobicContact CZ-CZ 4.48Å
508	K	97.5	Very high	94.8	Very high	17 Å²	17	51.8 Å²	51.8	7%	0.074	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.5	-174.4	-70.4	169	168.9	-179.7	0	111.6	V488 R489 A491 D496 D498 F510 I517 H518 I519	V488-K508 WeakPolarHBondContact CA-O 3.29Å; R489-K508 PolarHBondContact N-O 2.8Å; R489-K508 PolarHBondContact O-N 2.81Å; A491-K508 HydrophobicContact CB-CG 4.49Å; D496-K508 VanDerWaalsContact CG-CE 3.46Å; D496-K508 VanDerWaalsContact OD1-CE 3.31Å; D496-K508 WeakPolarHBondContact OD1-CE 3.46Å; D496-K508 IonicContact OD1-NZ 2.72Å; D496-K508 PolarHBondContact OD1-NZ 2.99Å; D496-K508 WeakPolarHBondContact OD2-CE 3.44Å; D496-K508 IonicContact OD2-NZ 3.41Å; D496-K508 PolarHBondContact OD2-NZ 3.31Å; D498-K508 IonicContact OD2-NZ 2.65Å; D498-K508 PolarHBondContact OD2-NZ 3.43Å; K508-F510 HydrophobicContact CB-CD2 4.04Å; K508-F510 HydrophobicContact CB-CE2 3.69Å; K508-F510 HydrophobicContact CD-CE2 3.8Å; K508-F510 HydrophobicContact CD-CZ 4.19Å; K508-F510 HydrophobicContact CG-CE2 4.38Å; K508-I517 HydrophobicContact CD-CD1 4.13Å; K508-H518 CarbonylContact C-O 3.57Å; K508-H518 WeakPolarHBondContact CA-O 3.45Å; K508-I519 HydrophobicContact CG-CB 4.14Å; K508-I519 HydrophobicContact CG-CD1 4.23Å; K508-I519 HydrophobicContact CG-CG1 3.91Å
509	L	97.9	Very high	95.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.6	164.7	-62.3	-176.9	0	0	0	108.4	L462 I481 M483 Y486 E487 V488 I517 H518 F520 F535	L462-L509 HydrophobicContact CD2-CD1 4.17Å; I481-L509 HydrophobicContact CD1-CD1 4.26Å; M483-L509 HydrophobicContact CE-CD1 4.47Å; M483-L509 HydrophobicContact CE-CD2 4.24Å; M483-L509 HydrophobicContact SD-CD1 4.19Å; Y486-L509 HydrophobicContact CD1-CB 3.74Å; Y486-L509 HydrophobicContact CE1-CB 4.44Å; Y486-L509 HydrophobicContact CG-CB 4.49Å; E487-L509 WeakPolarHBondContact O-CA 3.37Å; V488-L509 HydrophobicContact CB-CD2 4.09Å; V488-L509 HydrophobicContact CG1-CD2 4.23Å; V488-L509 HydrophobicContact CG2-CD2 3.47Å; V488-L509 VanDerWaalsContact CG2-CD2 3.47Å; L509-I517 WeakPolarHBondContact O-CA 3.42Å; L509-H518 HydrophobicContact CB-CB 4.44Å; L509-H518 PolarHBondContact N-O 2.88Å; L509-H518 PolarHBondContact O-N 3.13Å; L509-F520 HydrophobicContact CB-CE2 3.98Å; L509-F520 HydrophobicContact CD1-CE2 3.54Å; L509-F520 HydrophobicContact CD1-CZ 3.63Å; L509-F520 HydrophobicContact CG-CD2 4.18Å; L509-F520 HydrophobicContact CG-CE2 3.47Å; L509-F520 VanDerWaalsContact CG-CE2 3.47Å; L509-F520 HydrophobicContact CG-CZ 4.12Å; L509-F535 HydrophobicContact CD2-CE1 4.42Å; L509-F535 HydrophobicContact CD2-CZ 4.41Å
510	F	96.6	Very high	95.4	Very high	42 Å²	42	48.1 Å²	48.1	18%	0.184	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.1	176.4	-80.2	-94.6	0	0	0	109.8	Y486 E487 R489 K508 I517	Y486-F510 CarbonylContact C-O 3.56Å; Y486-F510 VanDerWaalsContact CA-O 3.25Å; Y486-F510 WeakPolarHBondContact CA-O 3.05Å; Y486-F510 VanDerWaalsContact CD1-C 3.44Å; E487-F510 PolarHBondContact N-O 2.87Å; E487-F510 PolarHBondContact O-N 3.09Å; R489-F510 HydrophobicContact CB-CD2 4.15Å; R489-F510 HydrophobicContact CB-CE2 4.17Å; R489-F510 HydrophobicContact CG-CD2 3.89Å; R489-F510 HydrophobicContact CG-CE2 4.23Å; K508-F510 HydrophobicContact CB-CD2 4.04Å; K508-F510 HydrophobicContact CB-CE2 3.69Å; K508-F510 HydrophobicContact CD-CE2 3.8Å; K508-F510 HydrophobicContact CD-CZ 4.19Å; K508-F510 HydrophobicContact CG-CE2 4.38Å; F510-I517 HydrophobicContact CD1-CB 4.24Å; F510-I517 HydrophobicContact CD1-CD1 4.1Å; F510-I517 HydrophobicContact CD1-CG1 3.92Å; F510-I517 HydrophobicContact CD2-CG1 4.3Å; F510-I517 HydrophobicContact CE1-CB 4.19Å; F510-I517 HydrophobicContact CE1-CD1 3.3Å; F510-I517 HydrophobicContact CE1-CG1 3.65Å; F510-I517 HydrophobicContact CE2-CD1 3.83Å; F510-I517 HydrophobicContact CE2-CG1 4.03Å; F510-I517 HydrophobicContact CG-CG1 4.26Å; F510-I517 HydrophobicContact CZ-CD1 3.14Å; F510-I517 HydrophobicContact CZ-CG1 3.72Å
511	N	96.3	Very high	95.7	Very high	15 Å²	15	45.8 Å²	45.8	8%	0.08	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	138.1	171.6	-163.6	-51.8	0	0	0	109.7	R485 Y486 D513 S514 E516	R485-N511 CarbonylContact O-C 3.49Å; R485-N511 WeakPolarHBondContact O-CA 3.41Å; Y486-N511 HydrophobicContact CD1-CB 4.24Å; Y486-N511 HydrophobicContact CE1-CB 3.8Å; Y486-N511 HydrophobicContact CE2-CB 4.36Å; Y486-N511 WeakPolarHBondContact CE2-ND2 3.41Å; Y486-N511 PolarHBondContact OH-ND2 2.93Å; N511-D513 PolarHBondContact OD1-N 3.22Å; N511-S514 VanDerWaalsContact CB-OG 3.25Å; N511-S514 WeakPolarHBondContact CB-OG 3.48Å; N511-S514 PolarHBondContact ND2-OG 3.22Å; N511-S514 VanDerWaalsContact O-O 3.06Å; N511-S514 PolarHBondContact OD1-N 3.14Å; N511-E516 HydrophobicContact CB-CB 3.94Å; N511-E516 WeakPolarHBondContact CB-O 3.37Å; N511-E516 PolarHBondContact N-O 3.43Å
512	K	94.1	Very high	95.9	Very high	104 Å²	104	43.7 Å²	43.7	45%	0.452	22%	0.224	S	C	.	.	S	Bend	trans	-77.5	-28.6	178.6	-65.5	172.8	-173.6	161.3	0	112.3	D484 R485 E487	D484-K512 PolarHBondContact O-NZ 2.8Å; R485-K512 PolarHBondContact O-N 3.44Å; E487-K512 HydrophobicContact CG-CD 4.09Å; E487-K512 HydrophobicContact CG-CG 3.76Å; E487-K512 WeakPolarHBondContact OE1-CE 3.21Å
513	D	93.5	Very high	95.9	Very high	110 Å²	110	44.3 Å²	44.3	59%	0.588	21%	0.213	S	C	*	.	S	Bend	trans	-101.1	-12.7	-173	-49.8	-40.3	0	0	0	112.7	R485 N511	R485-D513 IonicContact CZ-OD2 3.26Å; R485-D513 VanDerWaalsContact CZ-OD2 3.28Å; R485-D513 IonicContact NE-OD2 2.93Å; R485-D513 PolarHBondContact NE-OD2 2.92Å; R485-D513 IonicContact NH2-OD2 3.72Å; R485-D513 PolarHBondContact NH2-OD2 2.72Å; N511-D513 PolarHBondContact OD1-N 3.22Å
514	S	93.6	Very high	95.9	Very high	53 Å²	53	49.9 Å²	49.9	37%	0.371	24%	0.237	S	C	.	.	S	Bend	trans	-142.3	168.7	-175.1	76.7	0	0	0	0	112	N511 E516	N511-S514 VanDerWaalsContact CB-OG 3.25Å; N511-S514 WeakPolarHBondContact CB-OG 3.48Å; N511-S514 PolarHBondContact ND2-OG 3.22Å; N511-S514 VanDerWaalsContact O-O 3.06Å; N511-S514 PolarHBondContact OD1-N 3.14Å; S514-E516 PolarHBondContact O-N 2.97Å; S514-E516 VanDerWaalsContact OG-CB 3.24Å; S514-E516 WeakPolarHBondContact OG-CB 3.45Å; S514-E516 PolarHBondContact OG-N 3.38Å
515	E	90.4	Very high	95.9	Very high	197 Å²	197	46.1 Å²	46.1	92%	0.921	23%	0.227	S	C	*	.	S	Bend	trans	-79.1	13.7	173.2	-60.4	-177.9	172.4	0	0	112.8	I517	E515-I517 PolarHBondContact O-N 2.8Å
516	E	94.2	Very high	95.9	Very high	62 Å²	62	50 Å²	50	29%	0.29	25%	0.245	S	C	.	.			trans	-70.6	127.3	179.7	-170.2	173.3	-162.6	0	0	110.8	Y444 Y486 N511 S514 H518	Y444-E516 PolarHBondContact OH-OE1 2.82Å; Y486-E516 WeakPolarHBondContact OH-CG 3.43Å; Y486-E516 PolarHBondContact OH-OE2 3.13Å; N511-E516 HydrophobicContact CB-CB 3.94Å; N511-E516 WeakPolarHBondContact CB-O 3.37Å; N511-E516 PolarHBondContact N-O 3.43Å; S514-E516 PolarHBondContact O-N 2.97Å; S514-E516 VanDerWaalsContact OG-CB 3.24Å; S514-E516 WeakPolarHBondContact OG-CB 3.45Å; S514-E516 PolarHBondContact OG-N 3.38Å; E516-H518 VanDerWaalsContact CG-CE1 3.47Å; E516-H518 WeakPolarHBondContact CG-CE1 3.32Å; E516-H518 IonicContact OE1-CE1 2.84Å; E516-H518 PolarHBondContact OE1-CE1 2.82Å; E516-H518 VanDerWaalsContact OE1-CE1 3.22Å; E516-H518 IonicContact OE1-NE2 2.9Å
517	I	96	Very high	95.8	Very high	14 Å²	14	52.2 Å²	52.2	7%	0.072	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	134.3	-176.1	-171.8	-173.3	0	0	0	109.9	Y444 P446 D498 F499 K508 L509 F510 E515	Y444-I517 VanDerWaalsContact O-O 3.13Å; P446-I517 HydrophobicContact CG-CG2 3.95Å; D498-I517 HydrophobicContact CB-CD1 3.79Å; D498-I517 WeakPolarHBondContact OD2-CD1 3.26Å; F499-I517 HydrophobicContact CE2-CD1 3.72Å; F499-I517 HydrophobicContact CE2-CG1 3.94Å; F499-I517 HydrophobicContact CE2-CG2 4.2Å; F499-I517 HydrophobicContact CZ-CD1 4.46Å; F499-I517 HydrophobicContact CZ-CG1 4.25Å; F499-I517 HydrophobicContact CZ-CG2 4.06Å; K508-I517 HydrophobicContact CD-CD1 4.13Å; L509-I517 WeakPolarHBondContact O-CA 3.42Å; F510-I517 HydrophobicContact CD1-CB 4.24Å; F510-I517 HydrophobicContact CD1-CD1 4.1Å; F510-I517 HydrophobicContact CD1-CG1 3.92Å; F510-I517 HydrophobicContact CD2-CG1 4.3Å; F510-I517 HydrophobicContact CE1-CB 4.19Å; F510-I517 HydrophobicContact CE1-CD1 3.3Å; F510-I517 HydrophobicContact CE1-CG1 3.65Å; F510-I517 HydrophobicContact CE2-CD1 3.83Å; F510-I517 HydrophobicContact CE2-CG1 4.03Å; F510-I517 HydrophobicContact CG-CG1 4.26Å; F510-I517 HydrophobicContact CZ-CD1 3.14Å; F510-I517 HydrophobicContact CZ-CG1 3.72Å; E515-I517 PolarHBondContact O-N 2.8Å
518	H	97.4	Very high	95.7	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.009	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.5	177.1	-52.7	-40.9	0	0	0	109.9	Y444 Y486 K508 L509 E516 F520	Y444-H518 AromaticContact CD2-CE1 3.49Å; Y444-H518 VanDerWaalsContact CD2-CE1 3.49Å; Y444-H518 WeakPolarHBondContact CD2-CE1 3.41Å; Y444-H518 AromaticContact CD2-ND1 3.74Å; Y444-H518 AromaticContact CE2-CE1 3.24Å; Y444-H518 WeakPolarHBondContact CE2-CE1 3.45Å; Y444-H518 AromaticContact CE2-ND1 3.97Å; Y444-H518 AromaticContact CE2-NE2 3.92Å; Y444-H518 PolarHBondContact O-CE1 2.96Å; Y444-H518 PolarHBondContact O-ND1 3.13Å; Y486-H518 AromaticContact CE1-CD2 3.61Å; Y486-H518 AromaticContact CE1-NE2 3.73Å; Y486-H518 AromaticContact CZ-NE2 3.7Å; Y486-H518 PolarHBondContact OH-NE2 2.87Å; Y486-H518 VanDerWaalsContact OH-NE2 3.14Å; K508-H518 CarbonylContact C-O 3.57Å; K508-H518 WeakPolarHBondContact CA-O 3.45Å; L509-H518 HydrophobicContact CB-CB 4.44Å; L509-H518 PolarHBondContact N-O 2.88Å; L509-H518 PolarHBondContact O-N 3.13Å; E516-H518 VanDerWaalsContact CG-CE1 3.47Å; E516-H518 WeakPolarHBondContact CG-CE1 3.32Å; E516-H518 IonicContact OE1-CE1 2.84Å; E516-H518 PolarHBondContact OE1-CE1 2.82Å; E516-H518 VanDerWaalsContact OE1-CE1 3.22Å; E516-H518 IonicContact OE1-NE2 2.9Å; H518-F520 HydrophobicContact CB-CE2 3.68Å; H518-F520 HydrophobicContact CB-CZ 4.14Å
519	I	97.4	Very high	95.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138	175.2	-167.2	168.1	0	0	0	111.5	W442 I443 D496 F499 V503 A506 K508	W442-I519 CarbonylContact C-O 3.55Å; W442-I519 WeakPolarHBondContact CA-O 3.36Å; W442-I519 WeakPolarHBondContact CB-O 3.14Å; I443-I519 HydrophobicContact CB-CG2 3.69Å; I443-I519 HydrophobicContact CD1-CG2 4.07Å; I443-I519 HydrophobicContact CG1-CG2 4.11Å; I443-I519 PolarHBondContact N-O 2.96Å; I443-I519 PolarHBondContact O-N 2.81Å; D496-I519 HydrophobicContact CB-CD1 4.49Å; F499-I519 HydrophobicContact CD1-CG2 3.63Å; F499-I519 HydrophobicContact CD2-CB 3.9Å; F499-I519 HydrophobicContact CD2-CD1 4.11Å; F499-I519 HydrophobicContact CD2-CG2 3.79Å; F499-I519 HydrophobicContact CE1-CB 4.25Å; F499-I519 HydrophobicContact CE1-CG2 3.55Å; F499-I519 HydrophobicContact CE2-CB 3.57Å; F499-I519 HydrophobicContact CE2-CG2 3.72Å; F499-I519 HydrophobicContact CG-CB 4.39Å; F499-I519 HydrophobicContact CG-CG2 3.75Å; F499-I519 HydrophobicContact CZ-CB 3.77Å; F499-I519 HydrophobicContact CZ-CG2 3.61Å; V503-I519 HydrophobicContact CB-CD1 4.49Å; V503-I519 HydrophobicContact CG1-CD1 3.68Å; A506-I519 HydrophobicContact CB-CD1 4.36Å; A506-I519 HydrophobicContact CB-CG1 4.35Å; K508-I519 HydrophobicContact CG-CB 4.14Å; K508-I519 HydrophobicContact CG-CD1 4.23Å; K508-I519 HydrophobicContact CG-CG1 3.91Å
520	F	98.3	Very high	95.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.1	-177.3	-60.6	-98.9	0	0	0	109.1	L440 S441 W442 F455 L462 I481 A506 F507 L509 H518	L440-F520 HydrophobicContact CD1-CB 4.28Å; L440-F520 HydrophobicContact CD1-CD1 3.97Å; S441-F520 CarbonylContact O-C 3.43Å; S441-F520 WeakPolarHBondContact O-CA 3.49Å; W442-F520 HydrophobicContact CB-CD1 3.97Å; W442-F520 HydrophobicContact CB-CE1 4.23Å; W442-F520 HydrophobicContact CE3-CE1 4.06Å; W442-F520 HydrophobicContact CE3-CZ 4.07Å; F455-F520 HydrophobicContact CD1-CE1 4.13Å; F455-F520 HydrophobicContact CE1-CD1 4.26Å; F455-F520 AromaticContact CE1-CE1 3.54Å; F455-F520 HydrophobicContact CE1-CE1 3.54Å; F455-F520 HydrophobicContact CE2-CD1 4.4Å; F455-F520 HydrophobicContact CE2-CE1 4.46Å; F455-F520 HydrophobicContact CZ-CD1 4.05Å; F455-F520 AromaticContact CZ-CE1 3.72Å; F455-F520 HydrophobicContact CZ-CE1 3.72Å; L462-F520 HydrophobicContact CD2-CE1 4.4Å; L462-F520 HydrophobicContact CD2-CZ 4.46Å; I481-F520 HydrophobicContact CD1-CZ 4.09Å; A506-F520 CarbonylContact C-O 3.56Å; A506-F520 WeakPolarHBondContact CA-O 3.32Å; A506-F520 VanDerWaalsContact CB-O 3.29Å; A506-F520 WeakPolarHBondContact CB-O 3.42Å; F507-F520 HydrophobicContact CD1-CB 4.23Å; F507-F520 HydrophobicContact CD2-CB 3.98Å; F507-F520 HydrophobicContact CD2-CD2 4.08Å; F507-F520 HydrophobicContact CD2-CG 4.26Å; F507-F520 HydrophobicContact CE1-CB 3.81Å; F507-F520 HydrophobicContact CE2-CB 3.5Å; F507-F520 VanDerWaalsContact CE2-CB 3.5Å; F507-F520 HydrophobicContact CE2-CD1 4.33Å; F507-F520 AromaticContact CE2-CD2 3.68Å; F507-F520 HydrophobicContact CE2-CD2 3.68Å; F507-F520 AromaticContact CE2-CG 3.57Å; F507-F520 HydrophobicContact CE2-CG 3.57Å; F507-F520 HydrophobicContact CG-CB 4.32Å; F507-F520 HydrophobicContact CZ-CB 3.41Å; F507-F520 VanDerWaalsContact CZ-CB 3.41Å; F507-F520 HydrophobicContact CZ-CD1 4.35Å; F507-F520 HydrophobicContact CZ-CD2 4.4Å; F507-F520 AromaticContact CZ-CG 3.82Å; F507-F520 HydrophobicContact CZ-CG 3.82Å; F507-F520 PolarHBondContact N-O 3.08Å; F507-F520 PolarHBondContact O-N 2.89Å; L509-F520 HydrophobicContact CB-CE2 3.98Å; L509-F520 HydrophobicContact CD1-CE2 3.54Å; L509-F520 HydrophobicContact CD1-CZ 3.63Å; L509-F520 HydrophobicContact CG-CD2 4.18Å; L509-F520 HydrophobicContact CG-CE2 3.47Å; L509-F520 VanDerWaalsContact CG-CE2 3.47Å; L509-F520 HydrophobicContact CG-CZ 4.12Å; H518-F520 HydrophobicContact CB-CE2 3.68Å; H518-F520 HydrophobicContact CB-CZ 4.14Å
521	L	97.5	Very high	95.6	Very high	31 Å²	31	61 Å²	61	16%	0.162	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	115.7	-178	-56.1	92.1	0	0	0	109.5	S441 V503 A506	S441-L521 PolarHBondContact N-O 2.94Å; S441-L521 PolarHBondContact O-N 3.19Å; V503-L521 HydrophobicContact CB-CD2 4.31Å; V503-L521 HydrophobicContact CG1-CD2 4.25Å; A506-L521 HydrophobicContact CB-CG 4.21Å
522	A	97.1	Very high	95.6	Very high	7 Å²	7	62.3 Å²	62.3	6%	0.058	30%	0.301	C	S	.	.			trans	-83.6	152.8	173.6	0	0	0	0	0	111.1	L440 N505 K524 E527 K528	L440-A522 HydrophobicContact CD2-CB 3.83Å; N505-A522 HydrophobicContact CB-CB 4.19Å; N505-A522 WeakPolarHBondContact CB-O 3.32Å; N505-A522 PolarHBondContact O-N 2.88Å; A522-K524 VanDerWaalsContact C-N 3.34Å; A522-E527 HydrophobicContact CB-CB 3.88Å; A522-K528 HydrophobicContact CB-CB 4.03Å
523	K	94.6	Very high	95.8	Very high	118 Å²	118	63.5 Å²	63.5	51%	0.513	30%	0.302	S	S	.	.	S	Bend	trans	-74	-33.4	178.1	-69.4	174.1	-177.1	161.2	0	111	E439 N505 E527	E439-K523 IonicContact OE2-NZ 3.51Å; E439-K523 PolarHBondContact OE2-NZ 2.91Å; N505-K523 PolarHBondContact ND2-O 2.74Å; K523-E527 PolarHBondContact N-OE2 2.96Å; K523-E527 VanDerWaalsContact N-OE2 3.14Å
524	K	94.8	Very high	95.9	Very high	121 Å²	121	58.4 Å²	58.4	53%	0.526	28%	0.276	S	S	.	.	S	Bend	trans	-127.1	150.5	-175.8	-61	-175.2	179.5	-178.4	0	111.7	A522 E526 E527 K528	A522-K524 VanDerWaalsContact C-N 3.34Å; K524-E526 VanDerWaalsContact C-N 3.26Å; K524-E526 WeakPolarHBondContact CB-OE2 3.17Å; K524-E526 PolarHBondContact O-N 3.26Å; K524-E527 HydrophobicContact CB-CG 4.24Å; K524-E527 WeakPolarHBondContact O-CB 3.48Å; K524-E527 PolarHBondContact O-N 3.19Å; K524-E527 VanDerWaalsContact O-N 3.16Å; K524-K528 PolarHBondContact O-N 2.98Å
525	P	95.8	Very high	96.1	Very high	62 Å²	62	56 Å²	56	40%	0.403	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-34	176.6	24.1	-32	0	0	0	112.2	N505 E527 K528 I529	N505-P525 WeakPolarHBondContact OD1-CA 3.24Å; N505-P525 WeakPolarHBondContact OD1-CB 3.41Å; P525-E527 VanDerWaalsContact C-N 3.29Å; P525-E527 PolarHBondContact O-N 2.78Å; P525-K528 WeakPolarHBondContact O-CB 3.29Å; P525-K528 PolarHBondContact O-N 3.02Å; P525-I529 WeakPolarHBondContact O-CG1 3.48Å; P525-I529 PolarHBondContact O-N 3.44Å
526	E	95.2	Very high	96.4	Very high	95 Å²	95	52.9 Å²	52.9	44%	0.444	24%	0.244	S	C	.	.	H	α-helix	trans	-66.3	-33.2	177.5	-56.1	75.6	-160.8	0	0	111.8	K524 R530	K524-E526 VanDerWaalsContact C-N 3.26Å; K524-E526 WeakPolarHBondContact CB-OE2 3.17Å; K524-E526 PolarHBondContact O-N 3.26Å; E526-R530 VanDerWaalsContact O-CG 3.31Å; E526-R530 WeakPolarHBondContact O-CG 3.42Å; E526-R530 PolarHBondContact O-N 2.73Å
527	E	95.1	Very high	96.3	Very high	47 Å²	47	53.5 Å²	53.5	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-67.1	-43.4	174	-72.3	172.4	-171.4	0	0	110.9	A522 K523 K524 P525 I529 R530 W531	A522-E527 HydrophobicContact CB-CB 3.88Å; K523-E527 PolarHBondContact N-OE2 2.96Å; K523-E527 VanDerWaalsContact N-OE2 3.14Å; K524-E527 HydrophobicContact CB-CG 4.24Å; K524-E527 WeakPolarHBondContact O-CB 3.48Å; K524-E527 PolarHBondContact O-N 3.19Å; K524-E527 VanDerWaalsContact O-N 3.16Å; P525-E527 VanDerWaalsContact C-N 3.29Å; P525-E527 PolarHBondContact O-N 2.78Å; E527-I529 PolarHBondContact O-N 3.03Å; E527-R530 PolarHBondContact O-N 2.81Å; E527-W531 PolarHBondContact O-N 3.46Å
528	K	96.9	Very high	96.3	Very high	23 Å²	23	52.9 Å²	52.9	10%	0.1	24%	0.243	C	C	.	.	H	α-helix	trans	-57.1	-47.5	173.7	167.5	176.5	170.2	169.2	0	111.5	D490 A491 N505 A506 F507 A522 K524 P525 R530 W531 L532	D490-K528 WeakPolarHBondContact OD1-CE 3.33Å; D490-K528 IonicContact OD1-NZ 3.11Å; D490-K528 PolarHBondContact OD1-NZ 3.1Å; D490-K528 IonicContact OD2-NZ 3.36Å; A491-K528 PolarHBondContact O-NZ 3.17Å; N505-K528 HydrophobicContact CB-CB 4.27Å; N505-K528 HydrophobicContact CB-CD 4.31Å; A506-K528 VanDerWaalsContact O-CE 3.23Å; A506-K528 WeakPolarHBondContact O-CE 3.06Å; A506-K528 PolarHBondContact O-NZ 2.88Å; F507-K528 HydrophobicContact CD1-CG 4.47Å; A522-K528 HydrophobicContact CB-CB 4.03Å; K524-K528 PolarHBondContact O-N 2.98Å; P525-K528 WeakPolarHBondContact O-CB 3.29Å; P525-K528 PolarHBondContact O-N 3.02Å; K528-R530 VanDerWaalsContact C-N 3.32Å; K528-R530 PolarHBondContact O-N 3.42Å; K528-W531 PolarHBondContact O-N 2.85Å; K528-L532 HydrophobicContact CG-CD1 4.01Å; K528-L532 HydrophobicContact CG-CG 4.43Å; K528-L532 WeakPolarHBondContact O-CG 3.22Å; K528-L532 PolarHBondContact O-N 3.47Å
529	I	95.9	Very high	96.2	Very high	99 Å²	99	55.3 Å²	55.3	51%	0.508	25%	0.252	S	S	.	.	H	α-helix	trans	-60.6	-42.9	178.9	-67.1	166.8	0	0	0	111	P525 E527 L532 R533	P525-I529 WeakPolarHBondContact O-CG1 3.48Å; P525-I529 PolarHBondContact O-N 3.44Å; E527-I529 PolarHBondContact O-N 3.03Å; I529-L532 PolarHBondContact O-N 3.46Å; I529-R533 WeakPolarHBondContact O-CB 3.41Å; I529-R533 PolarHBondContact O-N 3.17Å
530	R	95.9	Very high	96	Very high	118 Å²	118	60.2 Å²	60.2	45%	0.445	27%	0.274	S	S	.	.	H	α-helix	trans	-63.1	-42.7	176.7	-72.3	-179.7	-162.4	113.6	2.4	112.2	Y436 E526 E527 K528 R533 A534	Y436-R530 HydrophobicContact CE1-CB 4.25Å; Y436-R530 WeakPolarHBondContact OH-CD 3.48Å; E526-R530 VanDerWaalsContact O-CG 3.31Å; E526-R530 WeakPolarHBondContact O-CG 3.42Å; E526-R530 PolarHBondContact O-N 2.73Å; E527-R530 PolarHBondContact O-N 2.81Å; K528-R530 VanDerWaalsContact C-N 3.32Å; K528-R530 PolarHBondContact O-N 3.42Å; R530-R533 PolarHBondContact O-N 3.32Å; R530-A534 WeakPolarHBondContact O-CB 3.18Å; R530-A534 PolarHBondContact O-N 3.3Å
531	W	97.6	Very high	95.6	Very high	3 Å²	3	61.3 Å²	61.3	1%	0.011	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-48.3	175.9	-85.1	107.4	0	0	0	112.5	Y436 L440 F455 L457 L462 F507 E527 K528 R533 A534 F535	Y436-W531 AromaticContact CD1-CD2 3.7Å; Y436-W531 HydrophobicContact CD1-CD2 3.7Å; Y436-W531 AromaticContact CD1-CE2 3.76Å; Y436-W531 AromaticContact CD1-CE3 3.83Å; Y436-W531 HydrophobicContact CD1-CE3 3.83Å; Y436-W531 HydrophobicContact CD1-CG 4.28Å; Y436-W531 HydrophobicContact CD1-CH2 4.05Å; Y436-W531 AromaticContact CD1-CZ2 3.97Å; Y436-W531 HydrophobicContact CD1-CZ2 3.97Å; Y436-W531 HydrophobicContact CD1-CZ3 4Å; Y436-W531 AromaticContact CE1-CD1 3.97Å; Y436-W531 AromaticContact CE1-CD2 3.82Å; Y436-W531 HydrophobicContact CE1-CD2 3.82Å; Y436-W531 AromaticContact CE1-CE2 3.65Å; Y436-W531 HydrophobicContact CE1-CE3 4.42Å; Y436-W531 HydrophobicContact CE1-CG 4.04Å; Y436-W531 HydrophobicContact CE1-CZ2 4.12Å; Y436-W531 AromaticContact CE1-NE1 3.74Å; L440-W531 HydrophobicContact CD1-CD2 3.84Å; L440-W531 VanDerWaalsContact CD1-CE2 3.48Å; L440-W531 HydrophobicContact CD1-CE3 4.44Å; L440-W531 HydrophobicContact CD1-CG 4.17Å; L440-W531 HydrophobicContact CD1-CH2 4.45Å; L440-W531 HydrophobicContact CD1-CZ2 3.81Å; L440-W531 HydrophobicContact CG-CZ2 4.17Å; F455-W531 HydrophobicContact CB-CH2 3.43Å; F455-W531 VanDerWaalsContact CB-CH2 3.43Å; F455-W531 HydrophobicContact CB-CZ2 3.88Å; F455-W531 HydrophobicContact CB-CZ3 4.33Å; L457-W531 HydrophobicContact CB-CZ3 4.15Å; L462-W531 HydrophobicContact CD1-CZ3 4.21Å; F507-W531 HydrophobicContact CE1-CB 3.74Å; F507-W531 HydrophobicContact CE1-CG 4.14Å; F507-W531 HydrophobicContact CZ-CB 3.93Å; F507-W531 HydrophobicContact CZ-CD2 4.49Å; F507-W531 HydrophobicContact CZ-CG 4.16Å; E527-W531 PolarHBondContact O-N 3.46Å; K528-W531 PolarHBondContact O-N 2.85Å; W531-R533 VanDerWaalsContact C-N 3.3Å; W531-R533 PolarHBondContact O-N 2.89Å; W531-A534 WeakPolarHBondContact O-CB 3.45Å; W531-A534 PolarHBondContact O-N 2.87Å; W531-A534 VanDerWaalsContact O-N 3.13Å; W531-F535 HydrophobicContact CB-CE2 4.4Å; W531-F535 AromaticContact CE3-CE2 3.8Å; W531-F535 HydrophobicContact CE3-CE2 3.8Å; W531-F535 AromaticContact CE3-CZ 3.98Å; W531-F535 HydrophobicContact CE3-CZ 3.98Å; W531-F535 HydrophobicContact CZ3-CZ 4.29Å; W531-F535 WeakPolarHBondContact O-CD2 3.34Å; W531-F535 PolarHBondContact O-N 3.04Å
532	L	97.4	Very high	95.3	Very high	43 Å²	43	60 Å²	60	23%	0.225	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-41.6	177.4	-69.8	174.9	0	0	0	111.8	V488 D490 F507 K528 I529 H536	V488-L532 HydrophobicContact CG1-CD2 3.67Å; D490-L532 HydrophobicContact CB-CD1 4.44Å; F507-L532 HydrophobicContact CB-CD2 3.87Å; F507-L532 HydrophobicContact CG-CD2 4.16Å; K528-L532 HydrophobicContact CG-CD1 4.01Å; K528-L532 HydrophobicContact CG-CG 4.43Å; K528-L532 WeakPolarHBondContact O-CG 3.22Å; K528-L532 PolarHBondContact O-N 3.47Å; I529-L532 PolarHBondContact O-N 3.46Å; L532-H536 PolarHBondContact O-N 3.14Å; L532-H536 VanDerWaalsContact O-N 3.13Å
533	R	96.6	Very high	95	Very high	129 Å²	129	65.9 Å²	65.9	49%	0.487	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-45.2	173.7	-175.6	-177.4	-66.1	177.3	-1.2	111.5	I529 R530 W531 F535 H536 E537	I529-R533 WeakPolarHBondContact O-CB 3.41Å; I529-R533 PolarHBondContact O-N 3.17Å; R530-R533 PolarHBondContact O-N 3.32Å; W531-R533 VanDerWaalsContact C-N 3.3Å; W531-R533 PolarHBondContact O-N 2.89Å; R533-F535 VanDerWaalsContact C-N 3.34Å; R533-F535 PolarHBondContact O-N 2.9Å; R533-H536 WeakPolarHBondContact O-CB 3.24Å; R533-H536 PolarHBondContact O-N 3.03Å; R533-H536 VanDerWaalsContact O-N 3.13Å; R533-E537 WeakPolarHBondContact CD-OE1 3.41Å; R533-E537 HydrophobicContact CG-CG 4.32Å; R533-E537 WeakPolarHBondContact CG-OE1 3.48Å; R533-E537 WeakPolarHBondContact O-CG 3.31Å; R533-E537 PolarHBondContact O-N 3.27Å
534	A	96.1	Very high	94.6	Very high	3 Å²	3	63.6 Å²	63.6	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-40.9	-179.9	0	0	0	0	0	112.3	I435 Y436 L457 R530 W531 H536 E537 E538	I435-A534 HydrophobicContact CG2-CB 4.33Å; Y436-A534 VanDerWaalsContact CB-CB 3.49Å; Y436-A534 HydrophobicContact CD1-CB 4.09Å; Y436-A534 HydrophobicContact CG-CB 3.88Å; L457-A534 HydrophobicContact CD2-CB 3.86Å; R530-A534 WeakPolarHBondContact O-CB 3.18Å; R530-A534 PolarHBondContact O-N 3.3Å; W531-A534 WeakPolarHBondContact O-CB 3.45Å; W531-A534 PolarHBondContact O-N 2.87Å; W531-A534 VanDerWaalsContact O-N 3.13Å; A534-H536 VanDerWaalsContact C-N 3.35Å; A534-E537 PolarHBondContact O-N 2.8Å; A534-E538 VanDerWaalsContact O-CB 3.3Å; A534-E538 WeakPolarHBondContact O-CB 3.23Å; A534-E538 PolarHBondContact O-N 2.86Å
535	F	97.9	Very high	94.1	Very high	3 Å²	3	58.5 Å²	58.5	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-37	173.9	-72.2	-64	0	0	0	113	L457 L462 M483 V488 F507 L509 W531 R533 E538 R539	L457-F535 HydrophobicContact CD1-CD1 3.92Å; L457-F535 HydrophobicContact CD1-CE1 3.76Å; L457-F535 HydrophobicContact CD2-CD1 3.84Å; L457-F535 HydrophobicContact CD2-CE1 4.12Å; L457-F535 HydrophobicContact CD2-CG 4.34Å; L462-F535 HydrophobicContact CD2-CE1 4.16Å; L462-F535 HydrophobicContact CD2-CZ 4.08Å; M483-F535 HydrophobicContact CE-CD1 3.48Å; M483-F535 VanDerWaalsContact CE-CD1 3.48Å; M483-F535 HydrophobicContact CE-CE1 3.53Å; M483-F535 HydrophobicContact SD-CD1 4.42Å; M483-F535 HydrophobicContact SD-CE1 3.95Å; V488-F535 HydrophobicContact CB-CB 4.44Å; V488-F535 HydrophobicContact CG1-CD2 4.08Å; V488-F535 HydrophobicContact CG1-CG 4.44Å; V488-F535 HydrophobicContact CG2-CB 3.56Å; V488-F535 HydrophobicContact CG2-CD1 3.96Å; V488-F535 HydrophobicContact CG2-CD2 4.04Å; V488-F535 HydrophobicContact CG2-CG 3.61Å; F507-F535 HydrophobicContact CD2-CE2 4.22Å; F507-F535 HydrophobicContact CE2-CD2 4.31Å; F507-F535 AromaticContact CE2-CE2 3.4Å; F507-F535 HydrophobicContact CE2-CE2 3.4Å; F507-F535 VanDerWaalsContact CE2-CE2 3.4Å; F507-F535 HydrophobicContact CE2-CZ 4.05Å; F507-F535 AromaticContact CZ-CE2 3.75Å; F507-F535 HydrophobicContact CZ-CE2 3.75Å; F507-F535 HydrophobicContact CZ-CZ 4.48Å; L509-F535 HydrophobicContact CD2-CE1 4.42Å; L509-F535 HydrophobicContact CD2-CZ 4.41Å; W531-F535 HydrophobicContact CB-CE2 4.4Å; W531-F535 AromaticContact CE3-CE2 3.8Å; W531-F535 HydrophobicContact CE3-CE2 3.8Å; W531-F535 AromaticContact CE3-CZ 3.98Å; W531-F535 HydrophobicContact CE3-CZ 3.98Å; W531-F535 HydrophobicContact CZ3-CZ 4.29Å; W531-F535 WeakPolarHBondContact O-CD2 3.34Å; W531-F535 PolarHBondContact O-N 3.04Å; R533-F535 VanDerWaalsContact C-N 3.34Å; R533-F535 PolarHBondContact O-N 2.9Å; F535-E538 PolarHBondContact O-N 2.66Å; F535-R539 WeakPolarHBondContact O-CG 3.21Å; F535-R539 PolarHBondContact O-N 3.47Å
536	H	96.1	Very high	93.7	Very high	131 Å²	131	62.1 Å²	62.1	61%	0.606	28%	0.28	S	S	*	.	H	α-helix	trans	-65.8	-43.8	174.1	179	71.3	0	0	0	111.8	L532 R533 A534 E538 R539 K540	L532-H536 PolarHBondContact O-N 3.14Å; L532-H536 VanDerWaalsContact O-N 3.13Å; R533-H536 WeakPolarHBondContact O-CB 3.24Å; R533-H536 PolarHBondContact O-N 3.03Å; R533-H536 VanDerWaalsContact O-N 3.13Å; A534-H536 VanDerWaalsContact C-N 3.35Å; H536-E538 VanDerWaalsContact C-N 3.29Å; H536-E538 PolarHBondContact O-N 3.24Å; H536-R539 PolarHBondContact O-N 3.39Å; H536-K540 WeakPolarHBondContact O-CB 3.41Å; H536-K540 PolarHBondContact O-N 2.98Å
537	E	92.9	Very high	92.9	Very high	75 Å²	75	66.6 Å²	66.6	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-61.2	-38.7	175.2	-74.3	172.7	-177.5	0	0	111.5	I435 R533 A534 K540 M541	I435-E537 HydrophobicContact CG2-CB 4.41Å; R533-E537 WeakPolarHBondContact CD-OE1 3.41Å; R533-E537 HydrophobicContact CG-CG 4.32Å; R533-E537 WeakPolarHBondContact CG-OE1 3.48Å; R533-E537 WeakPolarHBondContact O-CG 3.31Å; R533-E537 PolarHBondContact O-N 3.27Å; A534-E537 PolarHBondContact O-N 2.8Å; E537-K540 PolarHBondContact O-N 3.06Å; E537-M541 VanDerWaalsContact O-CB 3.3Å; E537-M541 WeakPolarHBondContact O-CB 3.43Å; E537-M541 PolarHBondContact O-N 3.42Å
538	E	95.3	Very high	91.9	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-47.8	176.5	-170.4	-85	152.1	0	0	112.7	I435 L457 F458 H460 A534 F535 H536 K540 M541 V542	I435-E538 HydrophobicContact CD1-CB 3.38Å; I435-E538 HydrophobicContact CD1-CG 3.29Å; L457-E538 HydrophobicContact CD1-CG 4.06Å; L457-E538 HydrophobicContact CD2-CB 4.1Å; L457-E538 HydrophobicContact CD2-CG 4.44Å; L457-E538 HydrophobicContact CG-CB 4.4Å; L457-E538 HydrophobicContact CG-CG 4.2Å; F458-E538 WeakPolarHBondContact O-CG 3.49Å; H460-E538 PolarHBondContact N-OE1 2.94Å; A534-E538 VanDerWaalsContact O-CB 3.3Å; A534-E538 WeakPolarHBondContact O-CB 3.23Å; A534-E538 PolarHBondContact O-N 2.86Å; F535-E538 PolarHBondContact O-N 2.66Å; H536-E538 VanDerWaalsContact C-N 3.29Å; H536-E538 PolarHBondContact O-N 3.24Å; E538-K540 VanDerWaalsContact C-N 3.31Å; E538-K540 PolarHBondContact O-N 2.88Å; E538-M541 PolarHBondContact O-N 2.92Å; E538-V542 WeakPolarHBondContact O-CG2 3.37Å; E538-V542 PolarHBondContact O-N 2.84Å; E538-V542 WeakPolarHBondContact OE1-CG2 3.5Å
539	R	96.5	Very high	91	Very high	54 Å²	54	69.7 Å²	69.7	20%	0.204	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-37	175.2	-69.2	-63.9	91.8	-169.5	15	112.8	M483 D484 F535 H536 Q543	M483-R539 VanDerWaalsContact CB-NH2 3.35Å; D484-R539 IonicContact OD1-CZ 3.61Å; D484-R539 VanDerWaalsContact OD1-CZ 3.26Å; D484-R539 IonicContact OD1-NH1 3.42Å; D484-R539 PolarHBondContact OD1-NH1 2.96Å; D484-R539 IonicContact OD1-NH2 3.49Å; D484-R539 PolarHBondContact OD1-NH2 3.43Å; F535-R539 WeakPolarHBondContact O-CG 3.21Å; F535-R539 PolarHBondContact O-N 3.47Å; H536-R539 PolarHBondContact O-N 3.39Å; R539-Q543 VanDerWaalsContact O-CG 3.29Å; R539-Q543 WeakPolarHBondContact O-CG 3.21Å; R539-Q543 PolarHBondContact O-N 3.24Å
540	K	92.3	Very high	90.2	Very high	103 Å²	103	66.4 Å²	66.4	45%	0.448	31%	0.311	S	S	.	.	H	α-helix	trans	-63.9	-45.9	174.6	-178.8	-177.2	169	-175	0	111	H536 E537 E538 Q543 E544	H536-K540 WeakPolarHBondContact O-CB 3.41Å; H536-K540 PolarHBondContact O-N 2.98Å; E537-K540 PolarHBondContact O-N 3.06Å; E538-K540 VanDerWaalsContact C-N 3.31Å; E538-K540 PolarHBondContact O-N 2.88Å; K540-Q543 PolarHBondContact O-N 3.05Å; K540-E544 WeakPolarHBondContact CE-OE1 3.37Å; K540-E544 IonicContact NZ-OE1 3.91Å; K540-E544 WeakPolarHBondContact O-CG 3.35Å; K540-E544 PolarHBondContact O-N 2.83Å
541	M	89.6	Confident	89.3	Confident	22 Å²	22	68.7 Å²	68.7	11%	0.108	33%	0.327	C	S	.	.	H	α-helix	trans	-59.8	-48.6	179.1	-179.4	176.7	-55.8	0	0	111.7	R405 E433 I435 D459 E537 E538 Q543 E544 D545	R405-M541 VanDerWaalsContact CZ-SD 3.53Å; R405-M541 VanDerWaalsContact NH2-CG 3.33Å; R405-M541 PolarHBondContact NH2-SD 3.26Å; R405-M541 VanDerWaalsContact NH2-SD 3.37Å; E433-M541 HydrophobicContact CB-SD 4.2Å; E433-M541 HydrophobicContact CG-CE 4.28Å; E433-M541 HydrophobicContact CG-SD 4.4Å; I435-M541 HydrophobicContact CD1-CE 4.07Å; I435-M541 HydrophobicContact CD1-SD 4.01Å; I435-M541 HydrophobicContact CG1-CE 3.93Å; I435-M541 HydrophobicContact CG1-SD 4.24Å; D459-M541 HydrophobicContact CB-SD 4.15Å; E537-M541 VanDerWaalsContact O-CB 3.3Å; E537-M541 WeakPolarHBondContact O-CB 3.43Å; E537-M541 PolarHBondContact O-N 3.42Å; E538-M541 PolarHBondContact O-N 2.92Å; M541-Q543 VanDerWaalsContact C-N 3.33Å; M541-Q543 PolarHBondContact O-N 3.26Å; M541-E544 PolarHBondContact O-N 2.88Å; M541-D545 WeakPolarHBondContact CG-OD2 2.91Å; M541-D545 WeakPolarHBondContact O-CB 3.3Å; M541-D545 PolarHBondContact O-N 3Å
542	V	91.9	Very high	88.4	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.024	33%	0.331	C	S	.	.	H	α-helix	trans	-58.5	-44.5	178.4	168.7	0	0	0	0	111.5	D459 H460 E538 E544 D545 E546	D459-V542 HydrophobicContact CB-CG2 4.32Å; H460-V542 VanDerWaalsContact CE1-CG1 3.4Å; H460-V542 WeakPolarHBondContact CE1-CG1 3.37Å; E538-V542 WeakPolarHBondContact O-CG2 3.37Å; E538-V542 PolarHBondContact O-N 2.84Å; E538-V542 WeakPolarHBondContact OE1-CG2 3.5Å; V542-E544 PolarHBondContact O-N 2.91Å; V542-D545 PolarHBondContact O-N 2.83Å; V542-E546 WeakPolarHBondContact O-CB 3.31Å; V542-E546 WeakPolarHBondContact O-CG 3.48Å; V542-E546 PolarHBondContact O-N 3.04Å
543	Q	90.7	Very high	87.6	Confident	131 Å²	131	69.9 Å²	69.9	61%	0.612	34%	0.337	S	S	*	.	H	α-helix	trans	-64.6	-38.5	177.7	-71.4	173.4	12.1	0	0	112.9	R539 K540 M541 K547	R539-Q543 VanDerWaalsContact O-CG 3.29Å; R539-Q543 WeakPolarHBondContact O-CG 3.21Å; R539-Q543 PolarHBondContact O-N 3.24Å; K540-Q543 PolarHBondContact O-N 3.05Å; M541-Q543 VanDerWaalsContact C-N 3.33Å; M541-Q543 PolarHBondContact O-N 3.26Å; Q543-K547 WeakPolarHBondContact O-CB 3.37Å; Q543-K547 PolarHBondContact O-N 3.3Å; Q543-K547 VanDerWaalsContact O-N 3.12Å
544	E	85.1	Confident	86.9	Confident	70 Å²	70	68.8 Å²	68.8	33%	0.327	34%	0.338	S	S	.	.	H	α-helix	trans	-68	-44.3	176.7	-75	174.4	171.8	0	0	111.1	K540 M541 V542 K547 I548	K540-E544 WeakPolarHBondContact CE-OE1 3.37Å; K540-E544 IonicContact NZ-OE1 3.91Å; K540-E544 WeakPolarHBondContact O-CG 3.35Å; K540-E544 PolarHBondContact O-N 2.83Å; M541-E544 PolarHBondContact O-N 2.88Å; V542-E544 PolarHBondContact O-N 2.91Å; E544-K547 WeakPolarHBondContact O-CB 3.24Å; E544-K547 PolarHBondContact O-N 3.15Å; E544-I548 WeakPolarHBondContact O-CG1 3.44Å; E544-I548 WeakPolarHBondContact O-CG2 3.43Å; E544-I548 PolarHBondContact O-N 3.07Å
545	D	86.4	Confident	86	Confident	13 Å²	13	76.1 Å²	76.1	7%	0.07	37%	0.366	C	S	.	.	H	α-helix	trans	-65	-41.9	179.7	-72.3	-19.5	0	0	0	111.7	R405 M541 V542 K547 I548 G549 F550	R405-D545 IonicContact CZ-OD2 3.32Å; R405-D545 IonicContact NH1-OD1 2.69Å; R405-D545 PolarHBondContact NH1-OD1 2.82Å; R405-D545 VanDerWaalsContact NH1-OD1 3.1Å; R405-D545 IonicContact NH1-OD2 3.55Å; R405-D545 PolarHBondContact NH1-OD2 2.85Å; M541-D545 WeakPolarHBondContact CG-OD2 2.91Å; M541-D545 WeakPolarHBondContact O-CB 3.3Å; M541-D545 PolarHBondContact O-N 3Å; V542-D545 PolarHBondContact O-N 2.83Å; D545-K547 PolarHBondContact O-N 2.77Å; D545-I548 WeakPolarHBondContact O-CG1 3.41Å; D545-I548 PolarHBondContact O-N 3.5Å; D545-G549 PolarHBondContact O-N 3.12Å; D545-F550 HydrophobicContact CB-CB 4.24Å; D545-F550 HydrophobicContact CB-CD1 4.25Å; D545-F550 PolarHBondContact O-N 2.79Å
546	E	85.6	Confident	85.2	Confident	138 Å²	138	78.5 Å²	78.5	65%	0.645	38%	0.377	S	S	*	.	H	α-helix	trans	-62	-41.5	172.4	-76.6	-178.9	170.9	0	0	112.1	V542 I548 G549	V542-E546 WeakPolarHBondContact O-CB 3.31Å; V542-E546 WeakPolarHBondContact O-CG 3.48Å; V542-E546 PolarHBondContact O-N 3.04Å; E546-I548 PolarHBondContact O-N 3.22Å; E546-G549 PolarHBondContact O-N 3.04Å
547	K	78.8	Confident	84.7	Confident	189 Å²	189	74.3 Å²	74.3	82%	0.822	36%	0.357	S	S	*	.	H	α-helix	trans	-64.7	-39.3	179.6	-178.9	-175.9	175.5	-171	0	112.1	Q543 E544 D545	Q543-K547 WeakPolarHBondContact O-CB 3.37Å; Q543-K547 PolarHBondContact O-N 3.3Å; Q543-K547 VanDerWaalsContact O-N 3.12Å; E544-K547 WeakPolarHBondContact O-CB 3.24Å; E544-K547 PolarHBondContact O-N 3.15Å; D545-K547 PolarHBondContact O-N 2.77Å
548	I	75.2	Confident	84.2	Confident	80 Å²	80	78.2 Å²	78.2	41%	0.41	37%	0.369	S	S	.	.	H	α-helix	trans	-87.7	-7.1	-180	69.4	-174.5	0	0	0	112.9	W307 E544 D545 E546 F550	W307-I548 HydrophobicContact CZ2-CD1 4.44Å; E544-I548 WeakPolarHBondContact O-CG1 3.44Å; E544-I548 WeakPolarHBondContact O-CG2 3.43Å; E544-I548 PolarHBondContact O-N 3.07Å; D545-I548 WeakPolarHBondContact O-CG1 3.41Å; D545-I548 PolarHBondContact O-N 3.5Å; E546-I548 PolarHBondContact O-N 3.22Å; I548-F550 VanDerWaalsContact C-N 3.32Å; I548-F550 HydrophobicContact CD1-CB 3.79Å; I548-F550 HydrophobicContact CG1-CB 3.73Å
549	G	77	Confident	83.6	Confident	55 Å²	55	81.5 Å²	81.5	57%	0.567	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	37.9	-174.5	0	0	0	0	0	112.2	D545 E546 E551	D545-G549 PolarHBondContact O-N 3.12Å; E546-G549 PolarHBondContact O-N 3.04Å; G549-E551 PolarHBondContact O-N 2.91Å
550	F	79.3	Confident	83.1	Confident	31 Å²	31	79 Å²	79	14%	0.136	37%	0.374	C	S	.	.			trans	-74.5	121.6	177.6	167.8	-130.4	0	0	0	110.5	R402 S432 D545 I548 I552	R402-F550 VanDerWaalsContact NH1-CD1 3.28Å; S432-F550 WeakPolarHBondContact OG-CE1 3.48Å; D545-F550 HydrophobicContact CB-CB 4.24Å; D545-F550 HydrophobicContact CB-CD1 4.25Å; D545-F550 PolarHBondContact O-N 2.79Å; I548-F550 VanDerWaalsContact C-N 3.32Å; I548-F550 HydrophobicContact CD1-CB 3.79Å; I548-F550 HydrophobicContact CG1-CB 3.73Å; F550-I552 HydrophobicContact CZ-CG1 4.02Å
551	E	76.4	Confident	82.8	Confident	165 Å²	165	75.7 Å²	75.7	77%	0.771	37%	0.367	S	S	*	.			trans	-130.1	145.6	169.7	-63.4	178.2	176.5	0	0	111.2	G549 S553	G549-E551 PolarHBondContact O-N 2.91Å; E551-S553 PolarHBondContact O-N 2.72Å
552	I	80.3	Confident	82.5	Confident	20 Å²	20	78.6 Å²	78.6	10%	0.103	38%	0.381	C	S	.	.			trans	-72.7	122.9	168	-51.4	173.8	0	0	0	108	I409 L428 S431 S432 F550 Q556 K557	I409-I552 HydrophobicContact CD1-CG2 3.91Å; L428-I552 HydrophobicContact CD2-CD1 4.19Å; S431-I552 VanDerWaalsContact O-CD1 3.26Å; S431-I552 WeakPolarHBondContact O-CD1 3.21Å; S432-I552 VanDerWaalsContact CB-CD1 3.46Å; F550-I552 HydrophobicContact CZ-CG1 4.02Å; I552-Q556 HydrophobicContact CG2-CB 3.85Å; I552-K557 HydrophobicContact CG2-CG 3.9Å
553	S	80	Confident	82.1	Confident	51 Å²	51	80.1 Å²	80.1	36%	0.357	39%	0.391	S	S	.	.			trans	-65.2	146.8	179.7	68.8	0	0	0	0	112	E551 Y555 Q556 K557	E551-S553 PolarHBondContact O-N 2.72Å; S553-Y555 PolarHBondContact O-N 2.88Å; S553-Y555 VanDerWaalsContact O-N 3.11Å; S553-Q556 WeakPolarHBondContact O-CB 2.77Å; S553-Q556 PolarHBondContact O-N 3.17Å; S553-Q556 VanDerWaalsContact OG-CG 3.23Å; S553-Q556 WeakPolarHBondContact OG-CG 3.29Å; S553-Q556 PolarHBondContact OG-N 3.28Å; S553-Q556 PolarHBondContact OG-OE1 2.97Å; S553-K557 PolarHBondContact O-N 2.64Å; S553-K557 VanDerWaalsContact O-N 3.14Å
554	E	81.4	Confident	81.9	Confident	106 Å²	106	75 Å²	75	50%	0.495	37%	0.368	S	S	.	.	H	α-helix	trans	-53.4	-32.8	172.9	-80.1	-61.9	122.2	0	0	113.1	K557 R558	E554-K557 IonicContact OE1-NZ 2.75Å; E554-K557 PolarHBondContact OE1-NZ 3.43Å; E554-R558 WeakPolarHBondContact O-CB 3.1Å; E554-R558 VanDerWaalsContact O-CG 3.24Å; E554-R558 WeakPolarHBondContact O-CG 3.23Å; E554-R558 PolarHBondContact O-N 3.07Å; E554-R558 VanDerWaalsContact O-N 3.1Å
555	Y	77.5	Confident	81.7	Confident	157 Å²	157	80 Å²	80	62%	0.616	38%	0.384	S	S	*	.	H	α-helix	trans	-63.4	-46.8	174.8	175.8	-101	0	0	0	111.9	S553 R558 Q559	S553-Y555 PolarHBondContact O-N 2.88Å; S553-Y555 VanDerWaalsContact O-N 3.11Å; Y555-R558 PolarHBondContact O-N 3.1Å; Y555-Q559 HydrophobicContact CD1-CG 4.21Å; Y555-Q559 HydrophobicContact CD2-CG 4.47Å; Y555-Q559 HydrophobicContact CE1-CG 3.74Å; Y555-Q559 HydrophobicContact CE2-CG 4.02Å; Y555-Q559 WeakPolarHBondContact O-CG 3.39Å; Y555-Q559 PolarHBondContact O-N 2.81Å; Y555-Q559 PolarHBondContact OH-NE2 3.15Å
556	Q	81.1	Confident	81.2	Confident	54 Å²	54	86.1 Å²	86.1	25%	0.252	41%	0.41	S	S	.	.	H	α-helix	trans	-63.3	-43.3	179.4	-74.3	161	-38.1	0	0	111.7	I409 I552 S553 R558 Q559 A560	I409-Q556 HydrophobicContact CD1-CB 4.32Å; I552-Q556 HydrophobicContact CG2-CB 3.85Å; S553-Q556 WeakPolarHBondContact O-CB 2.77Å; S553-Q556 PolarHBondContact O-N 3.17Å; S553-Q556 VanDerWaalsContact OG-CG 3.23Å; S553-Q556 WeakPolarHBondContact OG-CG 3.29Å; S553-Q556 PolarHBondContact OG-N 3.28Å; S553-Q556 PolarHBondContact OG-OE1 2.97Å; Q556-R558 VanDerWaalsContact C-N 3.33Å; Q556-R558 PolarHBondContact O-N 3.13Å; Q556-Q559 PolarHBondContact O-N 3.33Å; Q556-A560 PolarHBondContact O-N 2.9Å
557	K	84.7	Confident	80.4	Confident	42 Å²	42	82.1 Å²	82.1	18%	0.183	40%	0.395	C	S	.	.	H	α-helix	trans	-57.1	-46.7	174.5	-61.1	-176.8	-172.3	-178.9	0	111.5	L428 I552 S553 E554 Q559 A560 A561	L428-K557 WeakPolarHBondContact O-CE 3.44Å; I552-K557 HydrophobicContact CG2-CG 3.9Å; S553-K557 PolarHBondContact O-N 2.64Å; S553-K557 VanDerWaalsContact O-N 3.14Å; E554-K557 IonicContact OE1-NZ 2.75Å; E554-K557 PolarHBondContact OE1-NZ 3.43Å; K557-Q559 PolarHBondContact O-N 2.87Å; K557-A560 PolarHBondContact O-N 3.27Å; K557-A561 PolarHBondContact O-N 2.75Å
558	R	83.4	Confident	79.6	Confident	158 Å²	158	77.4 Å²	77.4	60%	0.596	38%	0.382	S	S	*	.	H	α-helix	trans	-64.3	-40.2	178	-71.5	174.1	-166.9	-177.5	4.9	112.9	E554 Y555 Q556 A561 M562	E554-R558 WeakPolarHBondContact O-CB 3.1Å; E554-R558 VanDerWaalsContact O-CG 3.24Å; E554-R558 WeakPolarHBondContact O-CG 3.23Å; E554-R558 PolarHBondContact O-N 3.07Å; E554-R558 VanDerWaalsContact O-N 3.1Å; Y555-R558 PolarHBondContact O-N 3.1Å; Q556-R558 VanDerWaalsContact C-N 3.33Å; Q556-R558 PolarHBondContact O-N 3.13Å; R558-A561 PolarHBondContact O-N 2.66Å; R558-M562 HydrophobicContact CB-CE 4.32Å; R558-M562 WeakPolarHBondContact O-CG 3.49Å; R558-M562 PolarHBondContact O-N 2.82Å
559	Q	83	Confident	78.7	Confident	69 Å²	69	81.2 Å²	81.2	32%	0.322	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-47.5	176.5	-73.9	-59.3	-38.6	0	0	111.2	Y555 Q556 K557 A561 M562 T563	Y555-Q559 HydrophobicContact CD1-CG 4.21Å; Y555-Q559 HydrophobicContact CD2-CG 4.47Å; Y555-Q559 HydrophobicContact CE1-CG 3.74Å; Y555-Q559 HydrophobicContact CE2-CG 4.02Å; Y555-Q559 WeakPolarHBondContact O-CG 3.39Å; Y555-Q559 PolarHBondContact O-N 2.81Å; Y555-Q559 PolarHBondContact OH-NE2 3.15Å; Q556-Q559 PolarHBondContact O-N 3.33Å; K557-Q559 PolarHBondContact O-N 2.87Å; Q559-A561 PolarHBondContact O-N 3.24Å; Q559-M562 WeakPolarHBondContact O-CA 3.46Å; Q559-M562 WeakPolarHBondContact O-CB 3.4Å; Q559-M562 PolarHBondContact O-N 2.87Å; Q559-T563 PolarHBondContact O-N 2.93Å; Q559-T563 PolarHBondContact O-OG1 3.01Å
560	A	85.1	Confident	77.5	Confident	0 Å²	0	86 Å²	86	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-60.4	-44.2	178.2	0	0	0	0	0	112.4	I409 D410 A413 L428 Q556 K557 M562 T563 V564	I409-A560 HydrophobicContact CG2-CB 3.75Å; D410-A560 WeakPolarHBondContact OD1-CA 3.48Å; D410-A560 WeakPolarHBondContact OD1-CB 3.34Å; A413-A560 HydrophobicContact CB-CB 3.85Å; L428-A560 HydrophobicContact CD1-CB 3.8Å; Q556-A560 PolarHBondContact O-N 2.9Å; K557-A560 PolarHBondContact O-N 3.27Å; A560-M562 VanDerWaalsContact C-N 3.3Å; A560-M562 PolarHBondContact O-N 2.6Å; A560-T563 WeakPolarHBondContact O-CB 3.45Å; A560-T563 PolarHBondContact O-N 2.91Å; A560-V564 WeakPolarHBondContact O-CG2 3.3Å; A560-V564 PolarHBondContact O-N 2.9Å; A560-V564 VanDerWaalsContact O-N 3.12Å
561	A	85.7	Confident	76	Confident	35 Å²	35	92 Å²	92	29%	0.289	43%	0.429	S	S	.	.	H	α-helix	trans	-61.1	-37.2	174	0	0	0	0	0	112.7	K557 R558 Q559 R565	K557-A561 PolarHBondContact O-N 2.75Å; R558-A561 PolarHBondContact O-N 2.66Å; Q559-A561 PolarHBondContact O-N 3.24Å; A561-R565 WeakPolarHBondContact O-CG 3.43Å; A561-R565 PolarHBondContact O-N 3.22Å
562	M	83.3	Confident	74.3	Confident	82 Å²	82	86.6 Å²	86.6	40%	0.404	42%	0.418	S	S	.	.	H	α-helix	trans	-67.4	-39.4	174.9	-78.2	-170.1	-91.5	0	0	112.5	R558 Q559 A560 V564 R565 K566	R558-M562 HydrophobicContact CB-CE 4.32Å; R558-M562 WeakPolarHBondContact O-CG 3.49Å; R558-M562 PolarHBondContact O-N 2.82Å; Q559-M562 WeakPolarHBondContact O-CA 3.46Å; Q559-M562 WeakPolarHBondContact O-CB 3.4Å; Q559-M562 PolarHBondContact O-N 2.87Å; A560-M562 VanDerWaalsContact C-N 3.3Å; A560-M562 PolarHBondContact O-N 2.6Å; M562-V564 VanDerWaalsContact C-N 3.34Å; M562-V564 PolarHBondContact O-N 3.46Å; M562-R565 PolarHBondContact O-N 2.99Å; M562-K566 PolarHBondContact O-N 3.39Å
563	T	84.1	Confident	72.2	Confident	37 Å²	37	91.3 Å²	91.3	23%	0.227	45%	0.448	C	S	.	.	H	α-helix	trans	-58.8	-46.1	175.4	-61	0	0	0	0	111	Q559 A560 R565 K566 V567	Q559-T563 PolarHBondContact O-N 2.93Å; Q559-T563 PolarHBondContact O-OG1 3.01Å; A560-T563 WeakPolarHBondContact O-CB 3.45Å; A560-T563 PolarHBondContact O-N 2.91Å; T563-R565 PolarHBondContact O-N 2.9Å; T563-K566 PolarHBondContact O-N 3.01Å; T563-V567 WeakPolarHBondContact O-CG2 3.39Å; T563-V567 PolarHBondContact O-N 3.02Å
564	V	85.8	Confident	70	Confident	24 Å²	24	96.2 Å²	96.2	15%	0.145	47%	0.47	C	S	.	.	H	α-helix	trans	-57.4	-48.9	174.6	173.3	0	0	0	0	111.4	A413 Q414 A417 A560 M562 K566 V567 T568	A413-V564 VanDerWaalsContact C-CG2 3.5Å; A413-V564 HydrophobicContact CB-CG2 3.72Å; A413-V564 WeakPolarHBondContact O-CG2 3.11Å; Q414-V564 HydrophobicContact CG-CG2 4.18Å; A417-V564 HydrophobicContact CB-CG1 3.38Å; A417-V564 HydrophobicContact CB-CG2 4.37Å; A560-V564 WeakPolarHBondContact O-CG2 3.3Å; A560-V564 PolarHBondContact O-N 2.9Å; A560-V564 VanDerWaalsContact O-N 3.12Å; M562-V564 VanDerWaalsContact C-N 3.34Å; M562-V564 PolarHBondContact O-N 3.46Å; V564-K566 VanDerWaalsContact C-N 3.3Å; V564-K566 PolarHBondContact O-N 2.65Å; V564-V567 PolarHBondContact O-N 3.46Å; V564-T568 PolarHBondContact O-N 2.88Å; V564-T568 PolarHBondContact O-OG1 2.91Å; V564-T568 VanDerWaalsContact O-OG1 3.05Å
565	R	81.1	Confident	67.7	Low	173 Å²	173	101.8 Å²	101.8	65%	0.653	49%	0.486	S	S	*	.	H	α-helix	trans	-60.7	-36.7	-179.4	-71	173.3	-177.2	-176.8	2.3	112.8	A561 M562 T563 K569	A561-R565 WeakPolarHBondContact O-CG 3.43Å; A561-R565 PolarHBondContact O-N 3.22Å; M562-R565 PolarHBondContact O-N 2.99Å; T563-R565 PolarHBondContact O-N 2.9Å; R565-K569 WeakPolarHBondContact O-CB 3.36Å; R565-K569 WeakPolarHBondContact O-CG 3.5Å; R565-K569 PolarHBondContact O-N 3.49Å
566	K	76.6	Confident	65.5	Low	142 Å²	142	100.1 Å²	100.1	62%	0.617	50%	0.496	S	S	*	.	H	α-helix	trans	-64.2	-45.1	176.5	-75.1	177.1	-179.4	172.9	0	111.6	M562 T563 V564 K569 Q570	M562-K566 PolarHBondContact O-N 3.39Å; T563-K566 PolarHBondContact O-N 3.01Å; V564-K566 VanDerWaalsContact C-N 3.3Å; V564-K566 PolarHBondContact O-N 2.65Å; K566-K569 PolarHBondContact O-N 3.19Å; K566-Q570 PolarHBondContact O-N 3.28Å
567	V	69.4	Low	63.3	Low	55 Å²	55	103.3 Å²	103.3	33%	0.333	52%	0.519	S	S	.	.	H	α-helix	trans	-65.9	-41	178.9	177.5	0	0	0	0	111.2	T563 V564 Q570 K571	T563-V567 WeakPolarHBondContact O-CG2 3.39Å; T563-V567 PolarHBondContact O-N 3.02Å; V564-V567 PolarHBondContact O-N 3.46Å; V567-Q570 PolarHBondContact O-N 3.43Å; V567-K571 PolarHBondContact O-N 3.44Å
568	T	60.7	Low	60.7	Low	89 Å²	89	106.8 Å²	106.8	55%	0.546	55%	0.546	S	S	.	.	H	α-helix	trans	-65.8	-39.2	177.3	-51.8	0	0	0	0	111.9	V564 K571 G572	V564-T568 PolarHBondContact O-N 2.88Å; V564-T568 PolarHBondContact O-OG1 2.91Å; V564-T568 VanDerWaalsContact O-OG1 3.05Å; T568-K571 PolarHBondContact O-N 2.88Å; T568-G572 PolarHBondContact O-N 3.29Å
569	K	56.4	Low	58.3	Low	161 Å²	161	104.3 Å²	104.3	70%	0.7	55%	0.551	S	S	*	*	H	α-helix	trans	-64.6	-42.3	174.4	-77.1	-177.5	179	-174.2	0	112.3	R565 K566 G572 V573	R565-K569 WeakPolarHBondContact O-CB 3.36Å; R565-K569 WeakPolarHBondContact O-CG 3.5Å; R565-K569 PolarHBondContact O-N 3.49Å; K566-K569 PolarHBondContact O-N 3.19Å; K569-G572 PolarHBondContact O-N 2.84Å; K569-G572 VanDerWaalsContact O-N 3.13Å; K569-V573 WeakPolarHBondContact O-CG2 3.44Å; K569-V573 PolarHBondContact O-N 3.36Å
570	Q	52.4	Low	55.8	Low	154 Å²	154	106.8 Å²	106.8	72%	0.72	58%	0.576	S	S	*	*	H	α-helix	trans	-64.4	-38.9	176.1	-77	178.7	-12.9	0	0	112.7	K566 V567 G572	K566-Q570 PolarHBondContact O-N 3.28Å; V567-Q570 PolarHBondContact O-N 3.43Å; Q570-G572 VanDerWaalsContact C-N 3.29Å; Q570-G572 PolarHBondContact O-N 3.42Å
571	K	48.5	Very low	53.1	Low	158 Å²	158	116.8 Å²	116.8	69%	0.687	62%	0.615	S	S	*	*	H	α-helix	trans	-70	-25.5	172.2	-73.7	-177.4	177.9	176.2	0	113.1	V567 T568	V567-K571 PolarHBondContact O-N 3.44Å; T568-K571 PolarHBondContact O-N 2.88Å
572	G	39.9	Very low	50.6	Low	52 Å²	52	120.4 Å²	120.4	54%	0.536	64%	0.636	S	S	.	*	H	α-helix	trans	-74.7	-19.1	177.7	0	0	0	0	0	115.1	T568 K569 Q570	T568-G572 PolarHBondContact O-N 3.29Å; K569-G572 PolarHBondContact O-N 2.84Å; K569-G572 VanDerWaalsContact O-N 3.13Å; Q570-G572 VanDerWaalsContact C-N 3.29Å; Q570-G572 PolarHBondContact O-N 3.42Å
573	V	35.8	Very low	48.3	Very low	119 Å²	119	121.8 Å²	121.8	72%	0.721	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-13	179.1	178.9	0	0	0	0	112.7	K569	K569-V573 WeakPolarHBondContact O-CG2 3.44Å; K569-V573 PolarHBondContact O-N 3.36Å
574	N	33.3	Very low	45.8	Very low	153 Å²	153	126.2 Å²	126.2	82%	0.818	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	22.1	178	-101.3	5.5	0	0	0	114.8
575	R	34	Very low	43.2	Very low	223 Å²	223	134.3 Å²	134.3	84%	0.842	72%	0.716	S	S	*	*			trans	-99	78.8	165.6	-76	-170.4	179.6	-166.3	1.3	110.1
576	C	31.6	Very low	40.8	Very low	122 Å²	122	133.6 Å²	133.6	82%	0.824	73%	0.726	S	S	*	*			trans	-74.5	128.7	156.3	-77.8	0	0	0	0	108.8
577	T	33.7	Very low	39.2	Very low	121 Å²	121	132 Å²	132	74%	0.742	73%	0.729	S	S	*	*			trans	-34.8	148.3	176.3	43.9	0	0	0	0	115.9
578	P	30.9	Very low	37.3	Very low	115 Å²	115	137.3 Å²	137.3	75%	0.747	76%	0.755	S	S	*	*			trans	-62.1	143.4	167.7	28.6	-31.3	0	0	0	109.3	S580	P578-S580 PolarHBondContact O-N 2.79Å; P578-S580 VanDerWaalsContact O-N 3.17Å
579	P	32.1	Very low	35.7	Very low	107 Å²	107	138 Å²	138	70%	0.695	76%	0.763	S	S	*	*			trans	-63.9	122.4	-179.6	25.7	-30.8	0	0	0	108.8	Y581	P579-Y581 PolarHBondContact O-N 3.32Å
580	S	30.9	Very low	34.5	Very low	120 Å²	120	135.3 Å²	135.3	84%	0.839	77%	0.772	S	S	*	*			trans	-69.7	115.7	172.8	-155.5	0	0	0	0	107.8	P578	P578-S580 PolarHBondContact O-N 2.79Å; P578-S580 VanDerWaalsContact O-N 3.17Å
581	Y	29	Very low	33.3	Very low	210 Å²	210	131.3 Å²	131.3	82%	0.824	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-69.1	134.4	172.4	-77	-88.5	0	0	0	109.5	P579	P579-Y581 PolarHBondContact O-N 3.32Å
582	P	34.1	Very low	32.4	Very low	112 Å²	112	133.2 Å²	133.2	73%	0.727	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-71.7	150.6	169.2	-2.4	18	0	0	0	110.1
583	P	33.8	Very low	31.9	Very low	110 Å²	110	141.1 Å²	141.1	71%	0.714	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.5	153	175.6	30.5	-32.6	0	0	0	110.9
584	P	30.9	Very low	31.6	Very low	131 Å²	131	144.9 Å²	144.9	85%	0.851	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-70.3	133	-178.5	28.4	-30.9	0	0	0	110.5
585	Q	32.7	Very low	31.4	Very low	193 Å²	193	143 Å²	143	90%	0.902	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-93.4	135.3	169	-74.2	-171.3	-23.5	0	0	110.1
586	D	30.4	Very low	31.1	Very low	159 Å²	159	139.2 Å²	139.2	85%	0.85	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-66.6	157.2	175.3	-83.8	-40.3	0	0	0	112.8
587	P	42.3	Very low	31	Very low	108 Å²	108	141.6 Å²	141.6	70%	0.701	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-88.2	172.9	-165.2	35.9	-34.3	0	0	0	113.6
588	L	29	Very low	30.8	Very low	166 Å²	166	144 Å²	144	87%	0.869	81%	0.811	S	S	*	*			trans	110.9	135.1	173.3	-59.3	167.7	0	0	0	111.7
589	S	28.2	Very low	30.8	Very low	103 Å²	103	147.1 Å²	147.1	72%	0.72	82%	0.818	S	S	*	*			cis	-163.5	154.5	6.2	-110.3	0	0	0	0	109.8
590	A	30.2	Very low	30.7	Very low	106 Å²	106	146.4 Å²	146.4	88%	0.876	82%	0.821	S	S	*	*			trans	7	132.5	159.9	0	0	0	0	0	121.1
591	G	28.7	Very low	30.6	Very low	70 Å²	70	150.2 Å²	150.2	72%	0.722	83%	0.825	S	S	*	*			trans	165.6	94.2	153.3	0	0	0	0	0	117.1
592	Q	29.1	Very low	30.6	Very low	197 Å²	197	144 Å²	144	92%	0.921	83%	0.825	S	S	*	*			trans	73.5	132.7	142.9	-66	176.3	-29.1	0	0	121.5
593	Y	29.9	Very low	30.3	Very low	219 Å²	219	147.7 Å²	147.7	86%	0.859	83%	0.833	S	S	*	*			trans	-68.3	149.5	174.8	-78.4	-105.8	0	0	0	112.5
594	E	28.1	Very low	29.9	Very low	198 Å²	198	149 Å²	149	93%	0.925	84%	0.838	S	S	*	*				-156	133.9	127.6	-116.4	174.9	-171.3	0	0	111.3
595	V	29.6	Very low	29.6	Very low	114 Å²	114	152.5 Å²	152.5	69%	0.691	84%	0.841	S	S	*	*			trans	-99.7	133.3	179	169.6	0	0	0	0	107.6
596	T	29	Very low	29.2	Very low	143 Å²	143	151.6 Å²	151.6	88%	0.877	84%	0.837	S	S	*	*			trans	-137	115.2	154.5	45.6	0	0	0	0	109.1
597	E	29.4	Very low	28.9	Very low	172 Å²	172	153.7 Å²	153.7	80%	0.804	84%	0.838	S	S	*	*			trans	-68.8	139.2	164.8	-71.4	175.9	136	0	0	109.7
598	D	28.3	Very low	28.1	Very low	170 Å²	170	153.8 Å²	153.8	91%	0.909	84%	0.842	S	S	*	*			trans	-156.1	136.1	132.4	-110.5	-25	0	0	0	111.7
599	M	30.9	Very low	28	Very low	182 Å²	182	155 Å²	155	90%	0.897	84%	0.843	S	S	*	*			trans	-78.1	142	-167.8	-66.6	159.9	58	0	0	113.2
600	A	29.4	Very low	27.8	Very low	92 Å²	92	155.6 Å²	155.6	76%	0.76	85%	0.847	S	S	*	*			trans	-169.8	109.1	133.5	0	0	0	0	0	112.8
601	Q	30.4	Very low	27.7	Very low	199 Å²	199	160.4 Å²	160.4	93%	0.93	85%	0.848	S	S	*	*			trans	50.3	113.7	138.6	-66.1	176.3	-11.5	0	0	119.8
602	G	27.9	Very low	27.7	Very low	80 Å²	80	169 Å²	169	83%	0.825	86%	0.859	S	S	*	*			trans	-78.7	150.9	174	0	0	0	0	0	114.4
603	E	27.5	Very low	27.7	Very low	189 Å²	189	163 Å²	163	88%	0.883	85%	0.851	S	S	*	*			trans	-121.1	135.5	151.2	-81.1	-169.5	147.3	0	0	109.1	F605	E603-F605 PolarHBondContact O-N 3.01Å
604	V	25.6	Very low	27.9	Very low	138 Å²	138	162.1 Å²	162.1	84%	0.836	85%	0.854	S	S	*	*			trans	-68.3	118.4	-179.2	172.1	0	0	0	0	109.2	E606	V604-E606 PolarHBondContact O-N 3.05Å
605	F	25.5	Very low	28.2	Very low	204 Å²	204	155.3 Å²	155.3	90%	0.895	84%	0.837	S	S	*	*			trans	-84.8	99.8	165.1	-103.8	-91.3	0	0	0	109.4	E603	E603-F605 PolarHBondContact O-N 3.01Å
606	E	23.4	Very low	28.6	Very low	175 Å²	175	153.1 Å²	153.1	82%	0.818	83%	0.825	S	S	*	*			trans	-77	119.4	169.9	-161.6	173	-163.2	0	0	109.3	V604 S608	V604-E606 PolarHBondContact O-N 3.05Å; E606-S608 PolarHBondContact O-N 3.16Å
607	F	24.8	Very low	29	Very low	203 Å²	203	152 Å²	152	89%	0.89	81%	0.808	S	S	*	*			trans	-66.9	101.1	173.8	-102.5	-95.3	0	0	0	109.6	Q609	F607-Q609 PolarHBondContact O-N 3.36Å
608	S	25.4	Very low	29.8	Very low	110 Å²	110	147.1 Å²	147.1	77%	0.769	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-73.9	117.8	165.5	68.2	0	0	0	0	109.8	E606 S610	E606-S608 PolarHBondContact O-N 3.16Å; S608-S610 PolarHBondContact O-N 3.45Å
609	Q	25.8	Very low	30.1	Very low	191 Å²	191	145.2 Å²	145.2	89%	0.893	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-60.1	120.6	169.4	-72.1	-179.6	3.1	0	0	109.1	F607 K611	F607-Q609 PolarHBondContact O-N 3.36Å; Q609-K611 PolarHBondContact O-N 3.32Å
610	S	24.1	Very low	30.2	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-63.9	118.7	169.6	45	0	0	0	0	109.5	S608 R612	S608-S610 PolarHBondContact O-N 3.45Å; S610-R612 PolarHBondContact O-N 2.76Å
611	K	28.3	Very low	30.4	Very low	206 Å²	206	137.6 Å²	137.6	90%	0.896	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-50.9	128.3	172.1	-77.7	179	175.7	178.2	0	109.4	Q609 G613	Q609-K611 PolarHBondContact O-N 3.32Å; K611-G613 PolarHBondContact O-N 3.14Å
612	R	29.8	Very low	30.5	Very low	250 Å²	250	131 Å²	131	94%	0.943	69%	0.692	S	S	*	*			trans	-46	125	172.9	-73.1	176.6	179.7	172.6	-0.1	109.9	S610	S610-R612 PolarHBondContact O-N 2.76Å
613	G	28.5	Very low	30.8	Very low	73 Å²	73	136.3 Å²	136.3	75%	0.753	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-57.2	148	177.4	0	0	0	0	0	112.4	K611	K611-G613 PolarHBondContact O-N 3.14Å
614	Q	34.6	Very low	31	Very low	200 Å²	200	131.5 Å²	131.5	94%	0.935	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-49.6	145	168.4	-70.9	179.6	-11.6	0	0	111.1
615	G	33.2	Very low	31.2	Very low	54 Å²	54	126.3 Å²	126.3	56%	0.557	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-61.4	165.2	176.8	0	0	0	0	0	113.6
616	P	38.2	Very low	31.5	Very low	69 Å²	69	121.3 Å²	121.3	45%	0.448	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-66.6	133.9	-170.3	23.9	-31.4	0	0	0	113.7	D473 W618 Q619	D473-P616 HydrophobicContact CB-CB 4.4Å; P616-W618 PolarHBondContact O-N 3.45Å; P616-Q619 PolarHBondContact O-N 3.31Å; P616-Q619 VanDerWaalsContact O-N 3.15Å
617	F	37.2	Very low	31.6	Very low	119 Å²	119	120.5 Å²	120.5	52%	0.522	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-46.8	-29.4	-176.4	175.9	-103.9	0	0	0	116.4	Q619 N620 F621	F617-Q619 VanDerWaalsContact C-N 3.27Å; F617-Q619 PolarHBondContact O-N 3.22Å; F617-N620 WeakPolarHBondContact O-CB 3.47Å; F617-N620 PolarHBondContact O-N 3.27Å; F617-F621 HydrophobicContact CE1-CE2 4.42Å
618	W	47	Very low	31.7	Very low	69 Å²	69	119.3 Å²	119.3	26%	0.261	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-70.9	-16.5	-179.4	-54.3	113.3	0	0	0	114.6	W415 S418 P616 N620 F621	W415-W618 VanDerWaalsContact CA-CH2 3.48Å; W415-W618 HydrophobicContact CB-CH2 3.5Å; W415-W618 HydrophobicContact CB-CZ2 4.42Å; W415-W618 HydrophobicContact CB-CZ3 3.72Å; W415-W618 AromaticContact CD1-CE3 3.72Å; W415-W618 AromaticContact CD1-CH2 3.38Å; W415-W618 AromaticContact CD1-CZ2 3.73Å; W415-W618 AromaticContact CD1-CZ3 3.32Å; W415-W618 AromaticContact CG-CH2 3.84Å; W415-W618 HydrophobicContact CG-CH2 3.84Å; W415-W618 HydrophobicContact CG-CZ2 4.48Å; W415-W618 AromaticContact CG-CZ3 3.86Å; W415-W618 HydrophobicContact CG-CZ3 3.86Å; S418-W618 WeakPolarHBondContact OG-CZ2 3.49Å; P616-W618 PolarHBondContact O-N 3.45Å; W618-N620 PolarHBondContact O-N 3.37Å; W618-F621 HydrophobicContact CE3-CB 4.39Å; W618-F621 AromaticContact CE3-CD2 3.38Å; W618-F621 HydrophobicContact CE3-CD2 3.38Å; W618-F621 AromaticContact CE3-CE2 3.79Å; W618-F621 HydrophobicContact CE3-CE2 3.79Å; W618-F621 AromaticContact CE3-CG 3.98Å; W618-F621 HydrophobicContact CE3-CG 3.98Å; W618-F621 HydrophobicContact CH2-CE2 4.44Å; W618-F621 AromaticContact CZ3-CD2 3.48Å; W618-F621 HydrophobicContact CZ3-CD2 3.48Å; W618-F621 VanDerWaalsContact CZ3-CD2 3.48Å; W618-F621 AromaticContact CZ3-CE2 3.33Å; W618-F621 HydrophobicContact CZ3-CE2 3.33Å; W618-F621 HydrophobicContact CZ3-CG 4.32Å; W618-F621 HydrophobicContact CZ3-CZ 4.06Å; W618-F621 WeakPolarHBondContact O-CB 3.38Å; W618-F621 PolarHBondContact O-N 3.05Å
619	Q	34.3	Very low	31.8	Very low	130 Å²	130	127.3 Å²	127.3	61%	0.607	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-62.1	-21.2	168.5	-70.9	-176	-18	0	0	112	P616 F617 S622	P616-Q619 PolarHBondContact O-N 3.31Å; P616-Q619 VanDerWaalsContact O-N 3.15Å; F617-Q619 VanDerWaalsContact C-N 3.27Å; F617-Q619 PolarHBondContact O-N 3.22Å; Q619-S622 PolarHBondContact O-OG 3.28Å
620	N	33.2	Very low	32.1	Very low	81 Å²	81	124.2 Å²	124.2	43%	0.433	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-80.3	-23.7	172.3	-67.4	-32	0	0	0	113.2	F617 W618 S622 R623	F617-N620 WeakPolarHBondContact O-CB 3.47Å; F617-N620 PolarHBondContact O-N 3.27Å; W618-N620 PolarHBondContact O-N 3.37Å; N620-S622 VanDerWaalsContact C-N 3.32Å; N620-S622 PolarHBondContact O-N 2.74Å; N620-R623 WeakPolarHBondContact O-CB 3.41Å; N620-R623 PolarHBondContact O-N 3.12Å; N620-R623 VanDerWaalsContact O-N 3.12Å
621	F	33.2	Very low	32.5	Very low	33 Å²	33	124.6 Å²	124.6	15%	0.145	61%	0.614	C	S	.	*	G	3₁₀ helix	trans	-65.5	-37.9	173.9	-111.4	-92.2	0	0	0	111.5	K411 L434 F617 W618 R623 L624	K411-F621 HydrophobicContact CB-CE2 4.23Å; K411-F621 HydrophobicContact CB-CZ 3.84Å; L434-F621 HydrophobicContact CD2-CD1 3.53Å; L434-F621 HydrophobicContact CD2-CE1 3.7Å; F617-F621 HydrophobicContact CE1-CE2 4.42Å; W618-F621 HydrophobicContact CE3-CB 4.39Å; W618-F621 AromaticContact CE3-CD2 3.38Å; W618-F621 HydrophobicContact CE3-CD2 3.38Å; W618-F621 AromaticContact CE3-CE2 3.79Å; W618-F621 HydrophobicContact CE3-CE2 3.79Å; W618-F621 AromaticContact CE3-CG 3.98Å; W618-F621 HydrophobicContact CE3-CG 3.98Å; W618-F621 HydrophobicContact CH2-CE2 4.44Å; W618-F621 AromaticContact CZ3-CD2 3.48Å; W618-F621 HydrophobicContact CZ3-CD2 3.48Å; W618-F621 VanDerWaalsContact CZ3-CD2 3.48Å; W618-F621 AromaticContact CZ3-CE2 3.33Å; W618-F621 HydrophobicContact CZ3-CE2 3.33Å; W618-F621 HydrophobicContact CZ3-CG 4.32Å; W618-F621 HydrophobicContact CZ3-CZ 4.06Å; W618-F621 WeakPolarHBondContact O-CB 3.38Å; W618-F621 PolarHBondContact O-N 3.05Å; F621-R623 PolarHBondContact O-N 3.47Å; F621-L624 PolarHBondContact O-N 3.38Å
622	S	32	Very low	32.7	Very low	60 Å²	60	120.1 Å²	120.1	42%	0.42	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-67.4	-14.2	172.7	34.7	0	0	0	0	114.6	Q619 N620 F627	Q619-S622 PolarHBondContact O-OG 3.28Å; N620-S622 VanDerWaalsContact C-N 3.32Å; N620-S622 PolarHBondContact O-N 2.74Å; S622-F627 WeakPolarHBondContact O-CE2 3.23Å
623	R	34.1	Very low	32.9	Very low	193 Å²	193	112.4 Å²	112.4	73%	0.728	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-85.7	-9.2	174.2	-75.8	-177.5	170.8	-174.3	-4.7	113.4	N620 F621	N620-R623 WeakPolarHBondContact O-CB 3.41Å; N620-R623 PolarHBondContact O-N 3.12Å; N620-R623 VanDerWaalsContact O-N 3.12Å; F621-R623 PolarHBondContact O-N 3.47Å
624	L	32.4	Very low	33.1	Very low	88 Å²	88	114.9 Å²	114.9	46%	0.461	57%	0.567	S	S	.	*	S	Bend	trans	-104.1	-0.4	-173.9	-67.4	168.6	0	0	0	114.2	F621	F621-L624 PolarHBondContact O-N 3.38Å
625	A	29.6	Very low	33.1	Very low	29 Å²	29	109.2 Å²	109.2	24%	0.24	54%	0.543	C	S	.	.	S	Bend	trans	-80.8	143	167.2	0	0	0	0	0	109.8	F627	A625-F627 WeakPolarHBondContact O-CD2 3.36Å; A625-F627 PolarHBondContact O-N 3.03Å
626	P	31.3	Very low	33	Very low	99 Å²	99	113.1 Å²	113.1	64%	0.643	54%	0.542	S	S	*	.			trans	-68.3	100.1	-173	27.4	-32.4	0	0	0	110.4	K628	P626-K628 PolarHBondContact O-N 2.84Å; P626-K628 VanDerWaalsContact O-N 3.08Å
627	F	25.5	Very low	32.6	Very low	158 Å²	158	116.5 Å²	116.5	69%	0.693	55%	0.549	S	S	*	.			trans	-74.1	94.6	166.4	-71.9	-82.1	0	0	0	109	S622 A625	S622-F627 WeakPolarHBondContact O-CE2 3.23Å; A625-F627 WeakPolarHBondContact O-CD2 3.36Å; A625-F627 PolarHBondContact O-N 3.03Å
628	K	27.8	Very low	32.3	Very low	177 Å²	177	116.3 Å²	116.3	77%	0.77	55%	0.551	S	S	*	*			trans	-78.4	116.9	150.3	-77.2	-176.3	175.9	178.9	0	107.5	P626	P626-K628 PolarHBondContact O-N 2.84Å; P626-K628 VanDerWaalsContact O-N 3.08Å
629	K	26.6	Very low	30.9	Very low	279 Å²	279	120.6 Å²	120.6	100%	1.213	58%	0.577	S	S	*	*			trans	-66	0	155.6	-96.4	-176.1	177.8	175.2	0	109

Retrieved 629 of 629 residues in 397.2 ms (Link to these results)

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