A0A087XQM8_POEFO Loading...

dual-specificity kinase

AlphaFold DB , UniProt , Accession A0A087XQM8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 526 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	29.9	Very low	35.4	Very low	240 Å²	240	154.4 Å²	154.4	100%	1.182	77%	0.768	S	S	*	*				0	156	0	-75.9	-170.2	170.1	0	0	109.2
2	P	52.7	Low	35.2	Very low	107 Å²	107	162.3 Å²	162.3	70%	0.695	78%	0.783	S	S	*	*			cis	-115.2	-73.8	-2.4	36.6	-27.9	0	0	0	117.8
3	H	36.8	Very low	34.9	Very low	164 Å²	164	161.8 Å²	161.8	76%	0.759	79%	0.787	S	S	*	*			trans	-99.8	149.9	-150.5	-64.7	-59	0	0	0	116.5
4	N	34.9	Very low	34.8	Very low	122 Å²	122	158.9 Å²	158.9	65%	0.652	79%	0.791	S	S	*	*			cis	85.2	95.3	10	-159.1	17.2	0	0	0	118.3
5	R	35.9	Very low	34.5	Very low	236 Å²	236	163.5 Å²	163.5	89%	0.891	80%	0.796	S	S	*	*			trans	175.9	124.8	145.1	-95.2	157.1	-174.7	-167.4	1.9	107.2
6	R	35.3	Very low	34	Very low	188 Å²	188	161.6 Å²	161.6	71%	0.709	80%	0.797	S	S	*	*			cis	81.6	138.7	39.8	-83.1	-160	175.1	-174.4	1.8	116.2
7	Y	34.6	Very low	33.6	Very low	187 Å²	187	157.3 Å²	157.3	73%	0.733	79%	0.786	S	S	*	*			trans	78.2	143	169.8	-58.7	-67	0	0	0	115.9
8	T	31.9	Very low	33.4	Very low	117 Å²	117	160.8 Å²	160.8	72%	0.718	79%	0.791	S	S	*	*			cis	-153.9	153.8	-1.6	1	0	0	0	0	108.3
9	S	31.3	Very low	34	Very low	100 Å²	100	158.8 Å²	158.8	70%	0.699	79%	0.791	S	S	*	*				45.8	136.4	96	-146.9	0	0	0	0	115.2
10	S	32.8	Very low	34	Very low	88 Å²	88	156.2 Å²	156.2	62%	0.615	78%	0.78	S	S	*	*			cis	-160.2	163.5	14.8	-16.1	0	0	0	0	112.1
11	D	33.5	Very low	33.9	Very low	149 Å²	149	158.6 Å²	158.6	80%	0.797	78%	0.78	S	S	*	*			trans	38.3	130.1	140.6	-46.6	-34.9	0	0	0	122.8
12	R	33.2	Very low	34	Very low	249 Å²	249	156 Å²	156	94%	0.94	76%	0.758	S	S	*	*				-159.4	128.9	121.5	-113.3	171.1	-173.8	-174.2	1.2	113.4
13	D	31.6	Very low	33	Very low	157 Å²	157	162 Å²	162	84%	0.84	77%	0.767	S	S	*	*			trans	-61	150.9	165.3	-81.5	-65.4	0	0	0	112.5
14	S	32.3	Very low	32.7	Very low	121 Å²	121	161.2 Å²	161.2	85%	0.846	77%	0.768	S	S	*	*				-166.8	137.4	127.4	24.9	0	0	0	0	112
15	R	30.4	Very low	32.6	Very low	228 Å²	228	166.9 Å²	166.9	86%	0.86	78%	0.781	S	S	*	*			trans	-88	171.4	176.2	-73.5	174.5	167.5	172.4	-4.3	111.7
16	T	26.2	Very low	32.2	Very low	133 Å²	133	159 Å²	159	82%	0.816	77%	0.773	S	S	*	*			trans	102.2	144.1	157.7	69.5	0	0	0	0	116.9
17	S	27.4	Very low	32.1	Very low	88 Å²	88	162.2 Å²	162.2	62%	0.615	79%	0.785	S	S	*	*			cis	168.3	123.6	-48.7	48.9	0	0	0	0	109.3
18	Y	30.6	Very low	31.9	Very low	221 Å²	221	164.5 Å²	164.5	87%	0.867	79%	0.792	S	S	*	*			trans	64.6	165.7	169.5	-68.8	-69.8	0	0	0	116
19	P	45.3	Very low	31.8	Very low	123 Å²	123	167.9 Å²	167.9	80%	0.799	80%	0.799	S	S	*	*			cis	-124.5	-172.5	13.4	34.1	-12.7	0	0	0	113.9
20	D	33.1	Very low	31.8	Very low	106 Å²	106	173.7 Å²	173.7	57%	0.567	81%	0.806	S	S	*	*			cis	-179	176.7	-26.4	175.3	28.9	0	0	0	106.5
21	R	32.2	Very low	31.7	Very low	207 Å²	207	177.5 Å²	177.5	78%	0.781	81%	0.814	S	S	*	*			trans	85.6	140.8	156.7	-46.1	-146.6	162.9	174.8	-0	119.9
22	Y	31.9	Very low	31.6	Very low	185 Å²	185	179.7 Å²	179.7	73%	0.725	81%	0.811	S	S	*	*			cis	-168.3	170.1	-22.3	-126.5	-78.5	0	0	0	111.3
23	R	31	Very low	31.4	Very low	234 Å²	234	177.1 Å²	177.1	88%	0.883	80%	0.801	S	S	*	*			trans	89.9	122.1	164	-68.7	179.7	171.9	170.2	-1.3	117.1
24	D	31.9	Very low	31.3	Very low	146 Å²	146	175.6 Å²	175.6	78%	0.781	80%	0.798	S	S	*	*			cis	109.7	154.5	16.2	-169.5	37.6	0	0	0	114.3
25	R	32.3	Very low	32.5	Very low	242 Å²	242	175.2 Å²	175.2	91%	0.913	79%	0.792	S	S	*	*			trans	90.8	115.4	-160.4	-59.8	179.9	-177.6	-164.8	2.3	112.8
26	G	28.2	Very low	32.5	Very low	70 Å²	70	170.6 Å²	170.6	72%	0.722	79%	0.79	S	S	*	*			cis	116.7	105.6	-6.4	0	0	0	0	0	114.1
27	R	31.9	Very low	32.7	Very low	256 Å²	256	171.5 Å²	171.5	97%	0.966	79%	0.789	S	S	*	*			trans	-160.4	130.5	152.5	-109.7	174.5	-171.3	-157.5	0.9	110.7
28	R	31	Very low	32.7	Very low	234 Å²	234	171.9 Å²	171.9	88%	0.883	79%	0.792	S	S	*	*			trans	-111.5	153.1	170.9	-74.3	177	170	172.3	-1.9	108.6
29	H	30.4	Very low	32.6	Very low	188 Å²	188	167.1 Å²	167.1	87%	0.87	79%	0.786	S	S	*	*			trans	-142.3	147.3	141.9	-106.1	-77.7	0	0	0	110.5
30	R	31.1	Very low	31.8	Very low	223 Å²	223	166.6 Å²	166.6	84%	0.842	79%	0.786	S	S	*	*			trans	-158	120.2	-169.6	-162.3	-168.3	-160.6	-162.2	8	110
31	H	30.7	Very low	31.6	Very low	168 Å²	168	166.3 Å²	166.3	78%	0.778	79%	0.792	S	S	*	*			trans	-150.2	129.4	159.7	-74.1	-76	0	0	0	106
32	R	30.8	Very low	31.6	Very low	194 Å²	194	162.1 Å²	162.1	73%	0.732	79%	0.785	S	S	*	*				57	133.4	61.1	-76.1	-167.8	164.3	177.2	-2.7	111.7
33	R	29.6	Very low	31.5	Very low	195 Å²	195	163.7 Å²	163.7	74%	0.736	79%	0.79	S	S	*	*			cis	-159.9	170.8	10.2	-122.2	169.2	-180	176.3	-5.4	111.5
34	T	28.4	Very low	31.5	Very low	126 Å²	126	158.4 Å²	158.4	77%	0.773	78%	0.779	S	S	*	*			trans	-66.9	-163	176.5	51.5	0	0	0	0	115.7
35	P	58.8	Low	31.5	Very low	112 Å²	112	160.8 Å²	160.8	73%	0.727	78%	0.777	S	S	*	*				-134.9	177.4	-78	43.3	-25.6	0	0	0	115
36	T	30.2	Very low	31.5	Very low	132 Å²	132	153.6 Å²	153.6	81%	0.81	76%	0.757	S	S	*	*			trans	-156.3	134.1	163.3	46.9	0	0	0	0	109.8
37	N	29.8	Very low	31.7	Very low	151 Å²	151	159.6 Å²	159.6	81%	0.807	76%	0.757	S	S	*	*				56.4	140.6	64.9	-73.4	5.1	0	0	0	113.6
38	S	27.7	Very low	31.7	Very low	97 Å²	97	159 Å²	159	68%	0.678	76%	0.755	S	S	*	*			cis	-174.1	159.4	-9.5	39.3	0	0	0	0	106.2
39	T	28.5	Very low	31.6	Very low	121 Å²	121	151 Å²	151	74%	0.742	75%	0.745	S	S	*	*				166.2	155.5	80.2	40.1	0	0	0	0	110.7
40	S	28.8	Very low	31.7	Very low	112 Å²	112	154.7 Å²	154.7	78%	0.783	75%	0.752	S	S	*	*			trans	17.8	162.1	145.4	76.1	0	0	0	0	123
41	S	29.4	Very low	31.5	Very low	99 Å²	99	147.5 Å²	147.5	69%	0.692	75%	0.747	S	S	*	*			cis	-170.7	153.8	28.3	57.8	0	0	0	0	114.5
42	D	30.9	Very low	31.5	Very low	119 Å²	119	147.9 Å²	147.9	64%	0.636	75%	0.749	S	S	*	*			trans	64.5	140.1	135.5	-94.5	23.6	0	0	0	125.8
43	R	29.8	Very low	31.4	Very low	219 Å²	219	148.8 Å²	148.8	83%	0.826	75%	0.753	S	S	*	*			trans	77.7	151.2	142.7	-70.5	166.6	-156.4	-154.1	2.8	120.5
44	D	30.7	Very low	31.3	Very low	122 Å²	122	149 Å²	149	65%	0.652	76%	0.762	S	S	*	*			cis	-173.7	166.6	-26	-158.4	-4	0	0	0	108.3
45	R	32.2	Very low	31.3	Very low	196 Å²	196	152.4 Å²	152.4	74%	0.74	77%	0.769	S	S	*	*			trans	67.5	155.5	158.1	-70.6	177.1	-167.7	-165.6	-0.2	119.3
46	D	32.9	Very low	29.7	Very low	92 Å²	92	150.9 Å²	150.9	49%	0.492	77%	0.774	S	S	.	*			cis	-160.9	144.8	-4.8	-120.3	-28.5	0	0	0	111.7
47	R	32.5	Very low	29.6	Very low	196 Å²	196	149.3 Å²	149.3	74%	0.74	77%	0.768	S	S	*	*			trans	59.8	156.1	142.9	-58.1	158.9	-163.2	-162.7	4.7	119.2
48	R	31.8	Very low	29.5	Very low	243 Å²	243	153.5 Å²	153.5	92%	0.917	77%	0.774	S	S	*	*			cis	-143.2	162.5	14.4	-58.3	167.7	-173	-164	-0.2	107.4
49	G	27.8	Very low	29.4	Very low	66 Å²	66	157.3 Å²	157.3	68%	0.68	79%	0.786	S	S	*	*			cis	141.9	127.4	-2.8	0	0	0	0	0	112.5
50	R	32.5	Very low	29.3	Very low	265 Å²	265	163.6 Å²	163.6	100%	1	80%	0.796	S	S	*	*			trans	69	152.6	175.6	-51.5	-179.9	177.4	-161.9	-2.6	114.6
51	G	28.6	Very low	29.1	Very low	73 Å²	73	163.7 Å²	163.7	75%	0.753	80%	0.797	S	S	*	*			cis	162.4	163.1	6.1	0	0	0	0	0	106.3
52	H	29.8	Very low	28.9	Very low	176 Å²	176	170.3 Å²	170.3	82%	0.815	81%	0.807	S	S	*	*			cis	-158.7	174.5	14.6	-146.8	-97.5	0	0	0	110.6
53	R	28	Very low	28.6	Very low	213 Å²	213	170.1 Å²	170.1	80%	0.804	81%	0.814	S	S	*	*			trans	-62.9	157.3	-178.1	-60.1	164.2	165.6	166.2	-8.3	115.7
54	Q	29	Very low	28.3	Very low	198 Å²	198	170.7 Å²	170.7	93%	0.925	82%	0.817	S	S	*	*				-163.9	160.4	110.1	-107.4	177.7	22.8	0	0	114.1
55	E	26.8	Very low	28	Very low	198 Å²	198	169.6 Å²	169.6	93%	0.925	82%	0.819	S	S	*	*			trans	-96.1	164.7	-173.2	-63.3	167.7	125	0	0	112.6
56	G	27	Very low	27.7	Very low	80 Å²	80	170.1 Å²	170.1	83%	0.825	82%	0.822	S	S	*	*			trans	179.4	89.3	172.3	0	0	0	0	0	113.2
57	S	26.4	Very low	27.3	Very low	99 Å²	99	172.8 Å²	172.8	69%	0.692	84%	0.837	S	S	*	*			trans	-87.1	133.3	177.5	56.4	0	0	0	0	112.6
58	Y	28.2	Very low	27	Very low	239 Å²	239	171.2 Å²	171.2	94%	0.937	84%	0.843	S	S	*	*			trans	-153.5	141.4	144.6	-77.3	-60.9	0	0	0	111.5
59	L	25.9	Very low	26.7	Very low	178 Å²	178	170.7 Å²	170.7	93%	0.932	84%	0.841	S	S	*	*			trans	-90.3	137.6	-177.9	-72.5	159.1	0	0	0	111.9
60	R	26.2	Very low	26.6	Very low	252 Å²	252	173.1 Å²	173.1	95%	0.951	85%	0.847	S	S	*	*			trans	-156.6	136.5	141.6	-128	177.2	-177	-168.3	1	113.4
61	S	25.1	Very low	26.4	Very low	114 Å²	114	164.7 Å²	164.7	80%	0.797	83%	0.834	S	S	*	*			trans	-77.5	145.7	-173.2	-35.7	0	0	0	0	113.6
62	R	24.4	Very low	26.3	Very low	239 Å²	239	169.2 Å²	169.2	90%	0.902	84%	0.836	S	S	*	*				-173.3	142.8	126.9	-104.7	163	179.6	-177.3	-1.6	113.8
63	S	24.7	Very low	26.5	Very low	114 Å²	114	169.4 Å²	169.4	80%	0.797	84%	0.837	S	S	*	*			trans	47.5	114	153.5	-53.3	0	0	0	0	120.4
64	R	23.6	Very low	26.7	Very low	231 Å²	231	168.2 Å²	168.2	87%	0.872	83%	0.832	S	S	*	*			trans	-79.6	113.1	166.8	-66.8	174	175.8	160	-2.3	110.7
65	S	24.5	Very low	27	Very low	100 Å²	100	164.2 Å²	164.2	70%	0.699	82%	0.824	S	S	*	*			trans	-96.3	134.3	150.9	49.9	0	0	0	0	108.4	D67	S65-D67 PolarHBondContact O-N 2.78Å
66	Y	25.5	Very low	27.7	Very low	206 Å²	206	161.2 Å²	161.2	81%	0.808	81%	0.808	S	S	*	*			trans	-84	102.3	175.8	-81.8	-92.8	0	0	0	109.6	N68	Y66-N68 PolarHBondContact O-N 3.1Å
67	D	25.8	Very low	28.6	Very low	149 Å²	149	161.6 Å²	161.6	80%	0.797	79%	0.791	S	S	*	*			trans	-66.4	111.4	167.9	-77	-33.4	0	0	0	109.9	S65 R69	S65-D67 PolarHBondContact O-N 2.78Å; D67-R69 PolarHBondContact O-N 3.28Å
68	N	25.7	Very low	29.1	Very low	163 Å²	163	166.5 Å²	166.5	87%	0.872	79%	0.794	S	S	*	*			trans	-81.1	111.1	173.8	-162.1	13.6	0	0	0	109.2	Y66 S70	Y66-N68 PolarHBondContact O-N 3.1Å; N68-S70 PolarHBondContact O-N 3.42Å
69	R	25.3	Very low	29.6	Very low	232 Å²	232	164 Å²	164	88%	0.875	78%	0.783	S	S	*	*			trans	-71.9	131.1	-174.8	-78.5	-176.8	172.7	-179.3	-2.7	112.1	D67	D67-R69 PolarHBondContact O-N 3.28Å
70	S	26.2	Very low	30.6	Very low	117 Å²	117	157.7 Å²	157.7	82%	0.818	75%	0.747	S	S	*	*			trans	-34.7	126.7	172.1	-41.8	0	0	0	0	115.2	N68	N68-S70 PolarHBondContact O-N 3.42Å
71	A	27.3	Very low	31.3	Very low	88 Å²	88	149.1 Å²	149.1	73%	0.727	72%	0.715	S	S	*	*			trans	-91.7	117.8	160.2	0	0	0	0	0	109.4	H73	A71-H73 PolarHBondContact O-N 3.48Å
72	E	26.4	Very low	32	Very low	167 Å²	167	148.1 Å²	148.1	78%	0.78	70%	0.698	S	S	*	*			trans	-61.2	103.7	-179.1	-64.9	-175.9	155.2	0	0	112.3	R74	E72-R74 PolarHBondContact O-N 3.44Å
73	H	33.9	Very low	33	Very low	181 Å²	181	137.8 Å²	137.8	84%	0.838	67%	0.666	S	S	*	*			trans	-74.2	106.4	169.2	-101.9	62.1	0	0	0	110.6	A71	A71-H73 PolarHBondContact O-N 3.48Å
74	R	33.8	Very low	33.7	Very low	187 Å²	187	133.5 Å²	133.5	71%	0.706	63%	0.633	S	S	*	*			trans	-76.4	153.2	172.2	-75.6	-170.1	179.7	-163.7	0.5	111.4	E72 F76	E72-R74 PolarHBondContact O-N 3.44Å; R74-F76 WeakPolarHBondContact O-CD2 3.34Å; R74-F76 PolarHBondContact O-N 3.02Å
75	P	33.4	Very low	34.2	Very low	115 Å²	115	130.7 Å²	130.7	75%	0.747	62%	0.622	S	S	*	*			trans	-76.8	100.1	-162.2	29.6	-36.1	0	0	0	112.9
76	F	42.8	Very low	34.7	Very low	135 Å²	135	133.8 Å²	133.8	59%	0.592	62%	0.619	S	S	*	*			trans	-81.3	-23.2	172.8	-83.1	-79.5	0	0	0	114	R74 K461	R74-F76 WeakPolarHBondContact O-CD2 3.34Å; R74-F76 PolarHBondContact O-N 3.02Å; F76-K461 VanDerWaalsContact CZ-NZ 3.26Å
77	D	46.3	Very low	35.3	Very low	88 Å²	88	127.6 Å²	127.6	47%	0.471	60%	0.599	S	S	.	*	H	α-helix	trans	-54.6	-59.6	-179.7	-87.2	-11.2	0	0	0	113	R79 Y80 Y81 R338	D77-R79 PolarHBondContact O-N 3.13Å; D77-R79 VanDerWaalsContact O-N 3.11Å; D77-Y80 PolarHBondContact O-N 3.17Å; D77-Y81 HydrophobicContact CB-CD2 4.23Å; D77-Y81 HydrophobicContact CB-CE2 3.89Å; D77-Y81 WeakPolarHBondContact O-CD2 3.23Å; D77-R338 IonicContact OD2-NH1 3.9Å; D77-R338 PolarHBondContact OD2-NH1 3.45Å; D77-R338 VanDerWaalsContact OD2-NH1 3.12Å
78	R	35.3	Very low	36	Very low	202 Å²	202	122.6 Å²	122.6	76%	0.762	57%	0.572	S	S	*	*	H	α-helix	trans	-66.4	-26.8	-152.9	-142.4	179.9	-158.4	177.6	6.3	116.3
79	R	39.3	Very low	36.3	Very low	187 Å²	187	119.1 Å²	119.1	71%	0.706	55%	0.551	S	S	*	*	H	α-helix	trans	-80.9	-35.3	-175.7	-70.2	-170.1	-172.9	-175.9	3.3	113.5	D77 E82 G83	D77-R79 PolarHBondContact O-N 3.13Å; D77-R79 VanDerWaalsContact O-N 3.11Å; R79-E82 PolarHBondContact O-N 3.06Å; R79-G83 PolarHBondContact O-N 3.13Å
80	Y	46.3	Very low	36.7	Very low	45 Å²	45	111 Å²	111	18%	0.176	53%	0.529	C	S	.	.	H	α-helix	trans	-71	-35.9	177.8	-78.6	-85.4	0	0	0	111.3	D77 E82 G83 Y84 F403	D77-Y80 PolarHBondContact O-N 3.17Å; Y80-E82 VanDerWaalsContact C-N 3.3Å; Y80-E82 PolarHBondContact O-N 2.82Å; Y80-G83 WeakPolarHBondContact O-CA 3.43Å; Y80-G83 PolarHBondContact O-N 3.03Å; Y80-Y84 PolarHBondContact O-N 2.96Å; Y80-F403 HydrophobicContact CD1-CB 4.26Å; Y80-F403 HydrophobicContact CD1-CD2 4.12Å; Y80-F403 HydrophobicContact CD1-CG 4.09Å; Y80-F403 AromaticContact CE1-CD2 3.87Å; Y80-F403 HydrophobicContact CE1-CD2 3.87Å; Y80-F403 HydrophobicContact CE1-CE2 4.11Å; Y80-F403 HydrophobicContact CE1-CG 4.29Å
81	Y	42.2	Very low	37.1	Very low	72 Å²	72	114 Å²	114	28%	0.282	52%	0.523	S	S	.	.	H	α-helix	trans	-54	-42.7	168.9	-76.7	-62	0	0	0	113.4	D77 G83 R85 N283 Y284 L285	D77-Y81 HydrophobicContact CB-CD2 4.23Å; D77-Y81 HydrophobicContact CB-CE2 3.89Å; D77-Y81 WeakPolarHBondContact O-CD2 3.23Å; Y81-G83 VanDerWaalsContact C-N 3.31Å; Y81-G83 PolarHBondContact O-N 2.74Å; Y81-R85 VanDerWaalsContact O-CB 3.22Å; Y81-R85 WeakPolarHBondContact O-CB 3.48Å; Y81-R85 PolarHBondContact O-N 2.91Å; Y81-N283 HydrophobicContact CE1-CB 4.38Å; Y81-N283 WeakPolarHBondContact CE1-O 3.35Å; Y81-N283 VanDerWaalsContact CZ-O 3.29Å; Y81-N283 PolarHBondContact OH-O 2.98Å; Y81-Y284 HydrophobicContact CD1-CD2 4.46Å; Y81-Y284 HydrophobicContact CE1-CD2 4.32Å; Y81-L285 VanDerWaalsContact OH-CD2 3.29Å; Y81-L285 WeakPolarHBondContact OH-CD2 3.49Å
82	E	39.2	Very low	37.4	Very low	92 Å²	92	114.8 Å²	114.8	43%	0.43	51%	0.511	S	S	.	.	H	α-helix	trans	-67.1	-30.5	175.2	-79.7	-170.8	-147.4	0	0	113.2	R79 Y80 R85 R86	R79-E82 PolarHBondContact O-N 3.06Å; Y80-E82 VanDerWaalsContact C-N 3.3Å; Y80-E82 PolarHBondContact O-N 2.82Å; E82-R85 PolarHBondContact O-N 3Å; E82-R86 WeakPolarHBondContact O-CB 3.42Å; E82-R86 WeakPolarHBondContact O-CG 3.45Å; E82-R86 PolarHBondContact O-N 3.36Å; E82-R86 IonicContact OE2-CZ 3.38Å; E82-R86 IonicContact OE2-NE 3.76Å; E82-R86 IonicContact OE2-NH2 3.17Å; E82-R86 PolarHBondContact OE2-NH2 2.93Å
83	G	45.6	Very low	37.7	Very low	23 Å²	23	115.8 Å²	115.8	24%	0.237	51%	0.508	C	S	.	.	H	α-helix	trans	-60.9	-54.7	176.3	0	0	0	0	0	112.1	R79 Y80 Y81 R85 R86 L87	R79-G83 PolarHBondContact O-N 3.13Å; Y80-G83 WeakPolarHBondContact O-CA 3.43Å; Y80-G83 PolarHBondContact O-N 3.03Å; Y81-G83 VanDerWaalsContact C-N 3.31Å; Y81-G83 PolarHBondContact O-N 2.74Å; G83-R85 PolarHBondContact O-N 3.06Å; G83-R86 PolarHBondContact O-N 3.17Å; G83-L87 PolarHBondContact O-N 3.39Å
84	Y	39.2	Very low	37.8	Very low	24 Å²	24	114 Å²	114	9%	0.094	51%	0.505	C	S	.	.	H	α-helix	trans	-63.8	-39.1	175.1	-73	-86.3	0	0	0	112	Y80 R86 L87 D88 F276 Y284 E398 F403 T404	Y80-Y84 PolarHBondContact O-N 2.96Å; Y84-R86 PolarHBondContact O-N 2.82Å; Y84-L87 PolarHBondContact O-N 2.85Å; Y84-D88 PolarHBondContact O-N 3.31Å; Y84-F276 HydrophobicContact CE1-CE2 4.43Å; Y84-Y284 HydrophobicContact CD1-CD1 4.5Å; Y84-Y284 AromaticContact CD1-CE1 3.63Å; Y84-Y284 HydrophobicContact CD1-CE1 3.63Å; Y84-Y284 HydrophobicContact CD1-CE2 4.36Å; Y84-Y284 AromaticContact CD1-CZ 3.54Å; Y84-Y284 WeakPolarHBondContact CD1-OH 3.45Å; Y84-Y284 HydrophobicContact CD2-CD1 4.42Å; Y84-Y284 HydrophobicContact CD2-CE1 4.27Å; Y84-Y284 HydrophobicContact CD2-CE2 4.47Å; Y84-Y284 HydrophobicContact CE1-CD1 4.37Å; Y84-Y284 AromaticContact CE1-CE1 3.67Å; Y84-Y284 HydrophobicContact CE1-CE1 3.67Å; Y84-Y284 HydrophobicContact CE2-CD1 4.3Å; Y84-Y284 HydrophobicContact CE2-CE1 4.31Å; Y84-Y284 AromaticContact CG-CE1 3.95Å; Y84-Y284 HydrophobicContact CG-CE1 3.95Å; Y84-Y284 HydrophobicContact CG-CE2 4.02Å; Y84-Y284 AromaticContact CG-CZ 3.65Å; Y84-E398 PolarHBondContact OH-OE1 3.4Å; Y84-F403 HydrophobicContact CE2-CB 4.23Å; Y84-T404 PolarHBondContact OH-N 3.34Å; Y84-T404 PolarHBondContact OH-OG1 3.27Å
85	R	34.9	Very low	38.1	Very low	172 Å²	172	114.9 Å²	114.9	65%	0.649	51%	0.508	S	S	*	.	H	α-helix	trans	-68	-31.5	-179.6	-158.9	-179.7	-150.1	168.6	8	113.7	Y81 E82 G83 Q89	Y81-R85 VanDerWaalsContact O-CB 3.22Å; Y81-R85 WeakPolarHBondContact O-CB 3.48Å; Y81-R85 PolarHBondContact O-N 2.91Å; E82-R85 PolarHBondContact O-N 3Å; G83-R85 PolarHBondContact O-N 3.06Å; R85-Q89 WeakPolarHBondContact O-CG 3.45Å; R85-Q89 PolarHBondContact O-N 2.95Å
86	R	34.6	Very low	37.9	Very low	165 Å²	165	116.2 Å²	116.2	62%	0.623	51%	0.509	S	S	*	.	H	α-helix	trans	-70.1	-37.5	173.4	-73.7	170.1	-166	-145.9	6.4	111.5	E82 G83 Y84 Q89 S90	E82-R86 WeakPolarHBondContact O-CB 3.42Å; E82-R86 WeakPolarHBondContact O-CG 3.45Å; E82-R86 PolarHBondContact O-N 3.36Å; E82-R86 IonicContact OE2-CZ 3.38Å; E82-R86 IonicContact OE2-NE 3.76Å; E82-R86 IonicContact OE2-NH2 3.17Å; E82-R86 PolarHBondContact OE2-NH2 2.93Å; G83-R86 PolarHBondContact O-N 3.17Å; Y84-R86 PolarHBondContact O-N 2.82Å; R86-Q89 PolarHBondContact O-N 3.24Å; R86-S90 PolarHBondContact O-N 3.03Å; R86-S90 PolarHBondContact O-OG 3.14Å
87	L	38.3	Very low	37.4	Very low	76 Å²	76	120.9 Å²	120.9	40%	0.398	52%	0.523	S	S	.	.	H	α-helix	trans	-67.8	-36.7	172.8	-72.1	163.6	0	0	0	112.3	G83 Y84 S90 R91	G83-L87 PolarHBondContact O-N 3.39Å; Y84-L87 PolarHBondContact O-N 2.85Å; L87-S90 WeakPolarHBondContact CA-OG 2.9Å; L87-S90 PolarHBondContact O-OG 3.1Å; L87-R91 WeakPolarHBondContact O-CG 3.43Å; L87-R91 PolarHBondContact O-N 3.07Å
88	D	40.6	Very low	36.6	Very low	43 Å²	43	125.7 Å²	125.7	23%	0.23	54%	0.542	C	S	.	.	H	α-helix	trans	-64	-47.6	171.4	-112.6	2.2	0	0	0	111.1	Y84 S90 R91 E92 K280	Y84-D88 PolarHBondContact O-N 3.31Å; D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 PolarHBondContact O-N 2.95Å; D88-R91 CarbonylContact O-C 3.49Å; D88-R91 WeakPolarHBondContact O-CA 3.36Å; D88-R91 PolarHBondContact O-N 2.89Å; D88-E92 PolarHBondContact O-N 3.39Å; D88-K280 VanDerWaalsContact CG-NZ 3.27Å; D88-K280 IonicContact OD1-NZ 3.7Å; D88-K280 PolarHBondContact OD1-NZ 3.03Å; D88-K280 WeakPolarHBondContact OD2-CE 3.23Å; D88-K280 IonicContact OD2-NZ 3.59Å; D88-K280 PolarHBondContact OD2-NZ 3.19Å
89	Q	30.8	Very low	36.7	Very low	91 Å²	91	121.5 Å²	121.5	43%	0.425	54%	0.541	S	S	.	.	H	α-helix	trans	-63	-28.8	179.7	-76.3	178.7	9.7	0	0	114	R85 R86 R93	R85-Q89 WeakPolarHBondContact O-CG 3.45Å; R85-Q89 PolarHBondContact O-N 2.95Å; R86-Q89 PolarHBondContact O-N 3.24Å; Q89-R93 WeakPolarHBondContact O-CB 2.95Å; Q89-R93 VanDerWaalsContact O-CG 3.28Å; Q89-R93 WeakPolarHBondContact O-CG 3.31Å; Q89-R93 PolarHBondContact O-N 3.04Å
90	S	33.3	Very low	36.2	Very low	61 Å²	61	121.8 Å²	121.8	43%	0.427	55%	0.55	S	S	.	*	H	α-helix	trans	-69.6	-35.6	167.9	39.8	0	0	0	0	112.7	R86 L87 D88	R86-S90 PolarHBondContact O-N 3.03Å; R86-S90 PolarHBondContact O-OG 3.14Å; L87-S90 WeakPolarHBondContact CA-OG 2.9Å; L87-S90 PolarHBondContact O-OG 3.1Å; D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 PolarHBondContact O-N 2.95Å
91	R	35.5	Very low	35.2	Very low	179 Å²	179	123.6 Å²	123.6	68%	0.675	58%	0.583	S	S	*	*	H	α-helix	trans	-79.5	-28.8	-179.5	-73.7	175.6	167.5	-172.7	-3.8	114	L87 D88	L87-R91 WeakPolarHBondContact O-CG 3.43Å; L87-R91 PolarHBondContact O-N 3.07Å; D88-R91 CarbonylContact O-C 3.49Å; D88-R91 WeakPolarHBondContact O-CA 3.36Å; D88-R91 PolarHBondContact O-N 2.89Å
92	E	32.9	Very low	34.5	Very low	105 Å²	105	125.3 Å²	125.3	49%	0.491	61%	0.612	S	S	.	*	H	α-helix	trans	-78.5	-39.3	176.6	-70.4	179.8	149.9	0	0	111.8	D88 D94 R95	D88-E92 PolarHBondContact O-N 3.39Å; E92-D94 PolarHBondContact O-N 2.93Å; E92-R95 WeakPolarHBondContact O-CB 3.39Å; E92-R95 PolarHBondContact O-N 3.48Å
93	R	33.8	Very low	33.8	Very low	188 Å²	188	125.8 Å²	125.8	71%	0.709	63%	0.631	S	S	*	*	H	α-helix	trans	-63.6	-24.6	178.1	-76	-179.9	-173.5	-149.5	2.4	114.3	Q89 R95	Q89-R93 WeakPolarHBondContact O-CB 2.95Å; Q89-R93 VanDerWaalsContact O-CG 3.28Å; Q89-R93 WeakPolarHBondContact O-CG 3.31Å; Q89-R93 PolarHBondContact O-N 3.04Å; R93-R95 VanDerWaalsContact C-N 3.31Å
94	D	36.3	Very low	33	Very low	145 Å²	145	134.3 Å²	134.3	78%	0.775	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-6.5	174.4	-71	-20.2	0	0	0	113.1	E92	E92-D94 PolarHBondContact O-N 2.93Å
95	R	38.6	Very low	32.3	Very low	205 Å²	205	136.5 Å²	136.5	77%	0.774	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-31.2	176.7	-70.4	177.7	173	-175.7	-4	114	E92 R93 R97	E92-R95 WeakPolarHBondContact O-CB 3.39Å; E92-R95 PolarHBondContact O-N 3.48Å; R93-R95 VanDerWaalsContact C-N 3.31Å; R95-R97 PolarHBondContact O-N 3.37Å
96	D	30.7	Very low	32.1	Very low	142 Å²	142	139.1 Å²	139.1	76%	0.759	71%	0.706	S	S	*	*	S	Bend	trans	-98.9	37.1	-167.7	-65.5	-23.2	0	0	0	114.5
97	R	30.8	Very low	31.6	Very low	233 Å²	233	142.1 Å²	142.1	88%	0.879	72%	0.719	S	S	*	*			trans	-121.7	95.4	174.2	-95.3	-175.2	167.2	-177.2	-4.6	112.8	R95	R95-R97 PolarHBondContact O-N 3.37Å
98	E	31.4	Very low	31.1	Very low	189 Å²	189	144 Å²	144	88%	0.883	74%	0.736	S	S	*	*			trans	-70.2	150.9	161.7	-73.4	-135.8	146.7	0	0	112
99	P	36.3	Very low	30.8	Very low	114 Å²	114	153.1 Å²	153.1	74%	0.74	77%	0.767	S	S	*	*			trans	-93.9	122.1	-167.6	34.7	-33.7	0	0	0	114.2
100	H	28.2	Very low	30.6	Very low	194 Å²	194	155.8 Å²	155.8	90%	0.898	78%	0.784	S	S	*	*			trans	-136.1	126.7	163.9	-80.1	-22.4	0	0	0	112
101	G	26.6	Very low	30.2	Very low	83 Å²	83	163 Å²	163	86%	0.856	81%	0.808	S	S	*	*			trans	84.2	130.2	157.6	0	0	0	0	0	116.5
102	A	27	Very low	29.7	Very low	108 Å²	108	159.8 Å²	159.8	89%	0.893	81%	0.813	S	S	*	*			trans	-82.5	140.9	177	0	0	0	0	0	112.8
103	A	24.6	Very low	29.5	Very low	102 Å²	102	159.7 Å²	159.7	84%	0.843	82%	0.821	S	S	*	*			trans	-171.7	158.5	143	0	0	0	0	0	110.8
104	E	28.3	Very low	29.3	Very low	201 Å²	201	158.9 Å²	158.9	94%	0.939	83%	0.831	S	S	*	*			trans	-69.4	152.9	-176.8	-55.8	174.4	118.5	0	0	113.9
105	G	24	Very low	28.8	Very low	70 Å²	70	159.6 Å²	159.6	72%	0.722	83%	0.832	S	S	*	*			trans	158.2	85.8	164.2	0	0	0	0	0	117.9
106	Y	31.2	Very low	28.3	Very low	227 Å²	227	160.6 Å²	160.6	89%	0.89	84%	0.837	S	S	*	*			trans	13	114.5	151.6	-88.9	-98.8	0	0	0	120.1
107	Y	25.3	Very low	28	Very low	229 Å²	229	159.1 Å²	159.1	90%	0.898	83%	0.829	S	S	*	*			trans	-155.6	167.2	148.8	-96.3	-57.1	0	0	0	110.2
108	P	27.5	Very low	27.8	Very low	114 Å²	114	157.9 Å²	157.9	74%	0.74	83%	0.826	S	S	*	*			trans	-92.2	156.1	-135.2	-5.5	26.4	0	0	0	115.4
109	R	33.6	Very low	27.5	Very low	235 Å²	235	159.1 Å²	159.1	89%	0.887	82%	0.823	S	S	*	*			trans	-62.7	130.7	156.3	-70	176.9	174	176.2	-2.3	109.1
110	D	26	Very low	27.1	Very low	147 Å²	147	161.8 Å²	161.8	79%	0.786	83%	0.825	S	S	*	*				-178.5	94.9	124.4	-91.6	-19.9	0	0	0	112.6
111	F	24.9	Very low	27	Very low	214 Å²	214	156 Å²	156	94%	0.939	82%	0.818	S	S	*	*			trans	-143.8	96.8	142.5	-120.3	-86.6	0	0	0	107.1	P113	F111-P113 VanDerWaalsContact O-CD 3.26Å; F111-P113 WeakPolarHBondContact O-CD 3.5Å
112	S	25.6	Very low	27	Very low	111 Å²	111	163.9 Å²	163.9	78%	0.776	82%	0.822	S	S	*	*			trans	-75.9	117.6	-173.5	-173.9	0	0	0	0	110.7
113	P	28.6	Very low	27	Very low	102 Å²	102	167.7 Å²	167.7	66%	0.662	82%	0.821	S	S	*	*			trans	-73.9	140.9	168.7	-9.4	27.7	0	0	0	109.2	F111 M115	F111-P113 VanDerWaalsContact O-CD 3.26Å; F111-P113 WeakPolarHBondContact O-CD 3.5Å; P113-M115 PolarHBondContact O-N 3.01Å
114	N	29.9	Very low	27.1	Very low	172 Å²	172	174.1 Å²	174.1	92%	0.92	82%	0.824	S	S	*	*			trans	-54.8	111.8	171.8	-83.9	-22.2	0	0	0	110.4
115	M	25.5	Very low	27	Very low	160 Å²	160	173.9 Å²	173.9	79%	0.788	82%	0.823	S	S	*	*			trans	-142.6	103.2	-178	-175.2	-177.2	-172.9	0	0	111.3	P113	P113-M115 PolarHBondContact O-N 3.01Å
116	Y	28.9	Very low	27.2	Very low	226 Å²	226	182.2 Å²	182.2	89%	0.886	83%	0.832	S	S	*	*			trans	-149.3	98.6	156.2	-67.1	-70.2	0	0	0	106.4
117	D	24.8	Very low	27.1	Very low	110 Å²	110	180.3 Å²	180.3	59%	0.588	83%	0.832	S	S	*	*				65.5	75.2	94.3	-162.5	20.6	0	0	0	113.9	R119	D117-R119 PolarHBondContact O-N 3.37Å; D117-R119 VanDerWaalsContact O-N 3.13Å; D117-R119 WeakPolarHBondContact OD1-CG 3.31Å; D117-R119 WeakPolarHBondContact OD2-CG 3.49Å; D117-R119 IonicContact OD2-CZ 3.84Å; D117-R119 IonicContact OD2-NE 2.96Å; D117-R119 PolarHBondContact OD2-NE 2.87Å; D117-R119 IonicContact OD2-NH2 3.83Å
118	Y	25.1	Very low	27.2	Very low	208 Å²	208	181.2 Å²	181.2	82%	0.816	83%	0.834	S	S	*	*			trans	-75.2	88	163.6	-101.4	-84.6	0	0	0	109.8	H120	Y118-H120 PolarHBondContact O-N 3.02Å
119	R	25.8	Very low	27.3	Very low	214 Å²	214	183.2 Å²	183.2	81%	0.808	84%	0.838	S	S	*	*			trans	-73.5	91.3	171	-69.1	-170.4	-179.5	-161.6	-3.6	111.7	D117	D117-R119 PolarHBondContact O-N 3.37Å; D117-R119 VanDerWaalsContact O-N 3.13Å; D117-R119 WeakPolarHBondContact OD1-CG 3.31Å; D117-R119 WeakPolarHBondContact OD2-CG 3.49Å; D117-R119 IonicContact OD2-CZ 3.84Å; D117-R119 IonicContact OD2-NE 2.96Å; D117-R119 PolarHBondContact OD2-NE 2.87Å; D117-R119 IonicContact OD2-NH2 3.83Å
120	H	28.9	Very low	27.1	Very low	170 Å²	170	177.8 Å²	177.8	79%	0.787	83%	0.826	S	S	*	*			trans	-81.7	110.2	157.5	-101.8	-70.9	0	0	0	110.1	Y118 R122	Y118-H120 PolarHBondContact O-N 3.02Å; H120-R122 PolarHBondContact O-N 3.19Å
121	G	24.8	Very low	27.3	Very low	74 Å²	74	175.4 Å²	175.4	76%	0.763	82%	0.822	S	S	*	*			trans	-66.2	125.7	168.9	0	0	0	0	0	110.8
122	R	26.6	Very low	27.6	Very low	247 Å²	247	174.3 Å²	174.3	93%	0.932	81%	0.812	S	S	*	*			trans	-82	117.5	167.4	-76.6	-178.4	171.4	-172.6	-3.2	109.5	H120	H120-R122 PolarHBondContact O-N 3.19Å
123	E	26.7	Very low	27.8	Very low	188 Å²	188	180.7 Å²	180.7	88%	0.879	82%	0.819	S	S	*	*			trans	-124.6	102.4	155.3	-72.5	-155.2	144.3	0	0	111.4
124	R	27.6	Very low	27.9	Very low	237 Å²	237	187.8 Å²	187.8	89%	0.894	83%	0.833	S	S	*	*			trans	39.5	108.7	145	-65.8	178.1	174	170.9	-2.3	118.5
125	E	26	Very low	27.9	Very low	196 Å²	196	190 Å²	190	92%	0.916	84%	0.835	S	S	*	*			trans	-50.1	139.3	152.4	-64.4	163.4	144.1	0	0	111.3
126	R	27.8	Very low	28.1	Very low	245 Å²	245	186.3 Å²	186.3	93%	0.925	84%	0.838	S	S	*	*			trans	-132.8	123	153.5	-85.9	-174.9	170.8	162.6	-2.5	107.9
127	E	29.7	Very low	28.2	Very low	187 Å²	187	181 Å²	181	87%	0.874	83%	0.833	S	S	*	*			trans	-60	145.1	174.6	-58.7	165.2	136.7	0	0	110.9
128	R	27.5	Very low	28.6	Very low	249 Å²	249	185.8 Å²	185.8	94%	0.94	84%	0.843	S	S	*	*			trans	-161.5	123.3	143.9	-109.2	164.3	-160.4	-126.7	0.5	109.7
129	D	30	Very low	28.9	Very low	156 Å²	156	186.7 Å²	186.7	83%	0.834	85%	0.845	S	S	*	*			trans	-51.2	144.6	156.8	-88.3	-51.7	0	0	0	110.3
130	D	29.6	Very low	29.1	Very low	120 Å²	120	186.2 Å²	186.2	64%	0.642	85%	0.849	S	S	*	*				-158.9	155.4	119.2	-134.7	-27.7	0	0	0	113.2	Y132	D130-Y132 HydrophobicContact CB-CE2 4.24Å; D130-Y132 WeakPolarHBondContact CB-OH 2.99Å; D130-Y132 PolarHBondContact OD2-OH 3.34Å
131	S	29.7	Very low	29.3	Very low	98 Å²	98	187.5 Å²	187.5	69%	0.685	86%	0.855	S	S	*	*			trans	-126.2	107.3	-158.9	61.2	0	0	0	0	114.1
132	Y	31.1	Very low	29.7	Very low	190 Å²	190	194 Å²	194	75%	0.745	86%	0.862	S	S	*	*			trans	-137.2	122.4	172.7	-28.7	-72.4	0	0	0	114	D130	D130-Y132 HydrophobicContact CB-CE2 4.24Å; D130-Y132 WeakPolarHBondContact CB-OH 2.99Å; D130-Y132 PolarHBondContact OD2-OH 3.34Å
133	R	30.2	Very low	30	Very low	245 Å²	245	193.6 Å²	193.6	93%	0.925	86%	0.861	S	S	*	*			trans	-67.5	146.3	170	-68.7	165.9	162.1	163.5	-5.6	111.5
134	R	30.9	Very low	30.4	Very low	251 Å²	251	197 Å²	197	95%	0.947	87%	0.865	S	S	*	*				-155.1	139.1	129.6	-113.6	168.9	-170.6	-159.9	1.5	113.3
135	K	30	Very low	30.5	Very low	219 Å²	219	197 Å²	197	95%	0.952	87%	0.866	S	S	*	*			trans	-81	139.6	177.5	-68.8	174.8	175.1	176	0	110.1
136	G	29	Very low	30.9	Very low	83 Å²	83	199 Å²	199	86%	0.856	87%	0.865	S	S	*	*			trans	-145.6	107.2	170.2	0	0	0	0	0	111
137	S	31.3	Very low	31.2	Very low	114 Å²	114	198.5 Å²	198.5	80%	0.797	86%	0.863	S	S	*	*			trans	-100.4	127.5	179	169	0	0	0	0	110.4
138	R	31.8	Very low	31.5	Very low	210 Å²	210	196.2 Å²	196.2	79%	0.792	86%	0.862	S	S	*	*				-178.6	139.8	127	-101	161.4	175.7	174.3	-1.1	115.7
139	R	32.6	Very low	31.8	Very low	227 Å²	227	195.3 Å²	195.3	86%	0.857	86%	0.859	S	S	*	*			trans	66.8	120.2	147.6	-70.3	176.9	171.6	163.6	-3.5	119.8
140	K	29.6	Very low	32	Very low	205 Å²	205	193.4 Å²	193.4	89%	0.891	86%	0.857	S	S	*	*			trans	-90.4	132.3	179.4	-60.5	168.9	177.5	173.5	0	110.6
141	H	32.3	Very low	32.2	Very low	196 Å²	196	197.5 Å²	197.5	91%	0.907	87%	0.865	S	S	*	*			trans	-102.1	125.4	150.6	-102.3	-82	0	0	0	109.2	R143	H141-R143 PolarHBondContact O-N 3.13Å
142	K	33.1	Very low	32.4	Very low	212 Å²	212	197.6 Å²	197.6	92%	0.922	87%	0.866	S	S	*	*			trans	-75.3	107.1	175.9	-78	178.6	175.1	175	0	109.8
143	R	33.2	Very low	32.7	Very low	238 Å²	238	195 Å²	195	90%	0.898	87%	0.872	S	S	*	*			trans	-103.9	132.8	152.8	-88.9	-175.4	164.7	-176	-6.2	109.1	H141 R145	H141-R143 PolarHBondContact O-N 3.13Å; R143-R145 PolarHBondContact O-N 3.06Å; R143-R145 VanDerWaalsContact O-N 3.1Å
144	R	34.7	Very low	32.9	Very low	258 Å²	258	189 Å²	189	97%	0.974	87%	0.868	S	S	*	*			trans	-67.2	101.9	178	-86.9	173.6	152.7	165.5	-8.4	109.5	R146	R144-R146 PolarHBondContact O-N 3.43Å
145	R	31	Very low	33.4	Very low	239 Å²	239	182.7 Å²	182.7	90%	0.902	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-72.5	119.1	160.2	-81.9	-177.9	165.6	175.4	-5.8	108.6	R143 R147	R143-R145 PolarHBondContact O-N 3.06Å; R143-R145 VanDerWaalsContact O-N 3.1Å; R145-R147 PolarHBondContact O-N 3.43Å
146	R	35.1	Very low	33.6	Very low	236 Å²	236	178.3 Å²	178.3	89%	0.891	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-61.7	127.9	158.6	-79.2	-178.7	172.3	174.6	-2	106.7	R144	R144-R146 PolarHBondContact O-N 3.43Å
147	R	33.9	Very low	34.2	Very low	235 Å²	235	185.8 Å²	185.8	89%	0.887	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-78.3	123.8	176.7	-86.7	177.2	160	170.2	-8.6	108.8	R145	R145-R147 PolarHBondContact O-N 3.43Å
148	T	34.9	Very low	34.5	Very low	140 Å²	140	186.7 Å²	186.7	86%	0.859	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-60.3	132.6	154.2	43	0	0	0	0	108.4
149	R	34.3	Very low	34.5	Very low	230 Å²	230	180.2 Å²	180.2	87%	0.868	87%	0.866	S	S	*	*			trans	-109.1	89.8	179	-115.8	-177.9	169.1	175.6	-5.6	108.2
150	S	34.7	Very low	35.1	Very low	116 Å²	116	175.6 Å²	175.6	81%	0.811	87%	0.869	S	S	*	*			trans	-79.5	128.6	163.6	52.3	0	0	0	0	108.9
151	Y	33.8	Very low	35.5	Very low	206 Å²	206	176.9 Å²	176.9	81%	0.808	87%	0.868	S	S	*	*			trans	-107.6	131.7	177.1	-131.3	-87	0	0	0	110.3
152	S	32.6	Very low	36	Very low	100 Å²	100	174.3 Å²	174.3	70%	0.699	87%	0.866	S	S	*	*			trans	-95.2	147.3	171.2	-56.4	0	0	0	0	109.9
153	P	38.2	Very low	36.3	Very low	134 Å²	134	175.7 Å²	175.7	87%	0.87	87%	0.866	S	S	*	*			trans	-81.3	135.6	-174.6	32	-34	0	0	0	112
154	S	33.1	Very low	37	Very low	119 Å²	119	168.7 Å²	168.7	83%	0.832	86%	0.859	S	S	*	*			trans	-132.3	136.2	164.7	58.4	0	0	0	0	110.4
155	S	41.8	Very low	38.2	Very low	120 Å²	120	162.8 Å²	162.8	84%	0.839	85%	0.846	S	S	*	*			trans	-98.9	130.2	-168.4	54.6	0	0	0	0	113.3
156	S	35.4	Very low	39.9	Very low	127 Å²	127	154.6 Å²	154.6	89%	0.888	83%	0.826	S	S	*	*			trans	-161.9	155.9	151.8	47.6	0	0	0	0	111
157	R	40.5	Very low	42.2	Very low	240 Å²	240	146 Å²	146	91%	0.906	80%	0.799	S	S	*	*			trans	-105.5	159.3	-155.6	-61	163.8	80.6	-178.9	6.2	114.6
158	S	38.8	Very low	44.9	Very low	132 Å²	132	142.7 Å²	142.7	92%	0.923	79%	0.786	S	S	*	*			trans	82	142.6	154.6	79.8	0	0	0	0	119.2
159	G	31.4	Very low	47.7	Very low	74 Å²	74	138.9 Å²	138.9	76%	0.763	76%	0.761	S	S	*	*			trans	136.6	99.3	-179.5	0	0	0	0	0	111.7	R161	G159-R161 PolarHBondContact O-N 3.29Å; G159-R161 VanDerWaalsContact O-N 3.13Å
160	S	44.7	Very low	50.4	Low	130 Å²	130	130.1 Å²	130.1	91%	0.909	73%	0.731	S	S	*	*			trans	-58.8	111.2	-174.3	-176.6	0	0	0	0	113.4
161	R	38.3	Very low	53.1	Low	232 Å²	232	134.6 Å²	134.6	88%	0.875	74%	0.739	S	S	*	*	S	Bend	trans	-146.7	156.3	156.7	-97.2	176.5	177.5	175.4	-2.8	108.5	G159 R163	G159-R161 PolarHBondContact O-N 3.29Å; G159-R161 VanDerWaalsContact O-N 3.13Å; R161-R163 PolarHBondContact O-N 2.9Å; R161-R163 VanDerWaalsContact O-N 3.14Å
162	T	42.1	Very low	55.7	Low	142 Å²	142	131 Å²	131	87%	0.871	73%	0.73	S	S	*	*			trans	-33.6	114.3	-179.3	28.2	0	0	0	0	112.4	A164	T162-A164 PolarHBondContact O-N 2.91Å
163	R	40.6	Very low	58.5	Low	242 Å²	242	126.9 Å²	126.9	91%	0.913	70%	0.703	S	S	*	*			trans	-55.9	107.3	-178	-165.3	179.8	-165.6	170.5	2.7	107.9	R161 L165	R161-R163 PolarHBondContact O-N 2.9Å; R161-R163 VanDerWaalsContact O-N 3.14Å; R163-L165 PolarHBondContact O-N 3.06Å
164	A	46.7	Very low	61.2	Low	91 Å²	91	120.7 Å²	120.7	75%	0.752	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-50.6	119.2	177.3	0	0	0	0	0	107.9	T162 S166	T162-A164 PolarHBondContact O-N 2.91Å; A164-S166 PolarHBondContact O-N 3.11Å
165	L	59.5	Low	64.1	Low	133 Å²	133	115.3 Å²	115.3	70%	0.696	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-57.1	118.2	174.4	-73.7	168.5	0	0	0	105.7	R163 V167	R163-L165 PolarHBondContact O-N 3.06Å; L165-V167 PolarHBondContact O-N 3.37Å
166	S	66.6	Low	66.5	Low	68 Å²	68	113.4 Å²	113.4	48%	0.476	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-56.1	118.5	177.2	54.2	0	0	0	0	107	A164 R168	A164-S166 PolarHBondContact O-N 3.11Å; S166-R168 WeakPolarHBondContact O-CG 3.49Å; S166-R168 PolarHBondContact O-N 3.19Å; S166-R168 PolarHBondContact OG-NE 3.14Å; S166-R168 PolarHBondContact OG-NH2 3.03Å
167	V	83.9	Confident	69.1	Low	54 Å²	54	108.6 Å²	108.6	33%	0.327	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-54	126.1	172.6	-174	0	0	0	0	107.3	L165 L175 Y260 H261	L165-V167 PolarHBondContact O-N 3.37Å; V167-L175 HydrophobicContact CG1-CD1 3.49Å; V167-L175 VanDerWaalsContact CG1-CD1 3.49Å; V167-Y260 HydrophobicContact CG1-CE1 4.01Å; V167-Y260 HydrophobicContact CG2-CE1 4.33Å; V167-H261 HydrophobicContact CG1-CB 3.99Å
168	R	90.9	Very high	71.5	Confident	166 Å²	166	105.8 Å²	105.8	63%	0.626	56%	0.559	S	S	*	*			trans	-138.8	146.7	-173.4	-78.9	177.1	-164.2	-162.1	6	110.2	S166 I176	S166-R168 WeakPolarHBondContact O-CG 3.49Å; S166-R168 PolarHBondContact O-N 3.19Å; S166-R168 PolarHBondContact OG-NE 3.14Å; S166-R168 PolarHBondContact OG-NH2 3.03Å; R168-I176 HydrophobicContact CB-CD1 4.24Å; R168-I176 WeakPolarHBondContact O-CB 3.42Å; R168-I176 PolarHBondContact O-N 2.82Å
169	D	93	Very high	74.1	Confident	61 Å²	61	104 Å²	104	33%	0.326	55%	0.546	S	S	.	.	B	Isolated β-bridge	trans	-102.4	151.2	175.1	-53.1	16.6	0	0	0	107.8	H174 N222 H263	D169-H174 CarbonylContact C-O 3.55Å; D169-H174 WeakPolarHBondContact CA-O 3.43Å; D169-N222 WeakPolarHBondContact OD2-CB 3.39Å; D169-N222 PolarHBondContact OD2-ND2 2.84Å; D169-N222 VanDerWaalsContact OD2-ND2 3.07Å; D169-H263 IonicContact OD1-NE2 2.68Å; D169-H263 PolarHBondContact OD1-NE2 3.4Å; D169-H263 IonicContact OD2-CE1 2.69Å; D169-H263 IonicContact OD2-NE2 3.08Å
170	D	92	Very high	77	Confident	46 Å²	46	102.3 Å²	102.3	25%	0.246	53%	0.53	C	S	.	.			trans	-81	175.6	166.6	60.9	30.2	0	0	0	111.6	E172 G173 H174 I176 R200	D170-E172 PolarHBondContact O-N 2.88Å; D170-E172 VanDerWaalsContact O-N 3.1Å; D170-E172 PolarHBondContact OD1-N 3.41Å; D170-G173 PolarHBondContact O-N 2.92Å; D170-G173 PolarHBondContact OD1-N 2.84Å; D170-H174 PolarHBondContact N-O 2.69Å; D170-H174 WeakPolarHBondContact OD1-CB 3.38Å; D170-H174 IonicContact OD1-CD2 3.38Å; D170-H174 IonicContact OD1-CG 2.68Å; D170-H174 PolarHBondContact OD1-N 2.81Å; D170-H174 WeakPolarHBondContact OD2-CB 3.19Å; D170-H174 IonicContact OD2-CD2 2.82Å; D170-H174 IonicContact OD2-CG 2.72Å; D170-I176 HydrophobicContact CB-CD1 4.18Å; D170-I176 HydrophobicContact CB-CG1 4.1Å; D170-R200 IonicContact OD2-CZ 3.69Å; D170-R200 IonicContact OD2-NH1 3.2Å; D170-R200 PolarHBondContact OD2-NH1 2.9Å; D170-R200 VanDerWaalsContact OD2-NH1 3.13Å; D170-R200 IonicContact OD2-NH2 2.68Å; D170-R200 PolarHBondContact OD2-NH2 2.96Å; D170-R200 VanDerWaalsContact OD2-NH2 3.09Å
171	E	91.5	Very high	79.4	Confident	210 Å²	210	98.1 Å²	98.1	98%	0.981	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.9	-176.8	-61.5	-171.5	168.9	0	0	113.3
172	E	88.9	Confident	82.1	Confident	131 Å²	131	90.3 Å²	90.3	61%	0.612	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-1.1	175.4	-57.3	-167.3	-168.5	0	0	113.6	D170 K221	D170-E172 PolarHBondContact O-N 2.88Å; D170-E172 VanDerWaalsContact O-N 3.1Å; D170-E172 PolarHBondContact OD1-N 3.41Å; E172-K221 HydrophobicContact CB-CD 4.5Å; E172-K221 VanDerWaalsContact O-CD 3.23Å; E172-K221 WeakPolarHBondContact O-CD 3.49Å; E172-K221 IonicContact OE2-NZ 2.69Å; E172-K221 PolarHBondContact OE2-NZ 3.47Å
173	G	91.5	Very high	84.5	Confident	12 Å²	12	83.7 Å²	83.7	12%	0.124	43%	0.434	C	S	.	.	S	Bend	trans	77.6	21.3	-178.4	0	0	0	0	0	114.4	D170 K221 N222 H263	D170-G173 PolarHBondContact O-N 2.92Å; D170-G173 PolarHBondContact OD1-N 2.84Å; G173-K221 CarbonylContact O-C 3.57Å; G173-K221 WeakPolarHBondContact O-CA 3.46Å; G173-K221 WeakPolarHBondContact O-CB 3.43Å; G173-N222 PolarHBondContact O-N 2.68Å; G173-H263 PolarHBondContact O-CE1 3.07Å
174	H	93.7	Very high	87	Confident	5 Å²	5	77.4 Å²	77.4	2%	0.023	42%	0.415	C	S	.	.			trans	-78.6	148.4	163.6	-64.2	-97.1	0	0	0	110.6	D169 D170 I176 E195 K221	D169-H174 CarbonylContact C-O 3.55Å; D169-H174 WeakPolarHBondContact CA-O 3.43Å; D170-H174 PolarHBondContact N-O 2.69Å; D170-H174 WeakPolarHBondContact OD1-CB 3.38Å; D170-H174 IonicContact OD1-CD2 3.38Å; D170-H174 IonicContact OD1-CG 2.68Å; D170-H174 PolarHBondContact OD1-N 2.81Å; D170-H174 WeakPolarHBondContact OD2-CB 3.19Å; D170-H174 IonicContact OD2-CD2 2.82Å; D170-H174 IonicContact OD2-CG 2.72Å; H174-I176 PolarHBondContact O-N 3.28Å; H174-E195 IonicContact CE1-OE1 3.05Å; H174-E195 IonicContact NE2-OE1 3.85Å; H174-E195 PolarHBondContact NE2-OE1 2.69Å; H174-K221 PolarHBondContact CD2-NZ 2.78Å; H174-K221 VanDerWaalsContact CD2-NZ 3.28Å; H174-K221 WeakPolarHBondContact CE1-CE 3.33Å; H174-K221 WeakPolarHBondContact NE2-CE 3.31Å; H174-K221 PolarHBondContact NE2-NZ 2.72Å
175	L	94	Very high	89.2	Confident	6 Å²	6	82.1 Å²	82.1	3%	0.031	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-64.5	130.2	166.9	-172.8	59.4	0	0	0	110.5	V167 C177 L183 R200 I219 Y260 H263	V167-L175 HydrophobicContact CG1-CD1 3.49Å; V167-L175 VanDerWaalsContact CG1-CD1 3.49Å; L175-C177 WeakPolarHBondContact CD2-SG 3.23Å; L175-C177 VanDerWaalsContact CG-SG 3.55Å; L175-C177 PolarHBondContact O-N 3.05Å; L175-L183 HydrophobicContact CD2-CD2 3.97Å; L175-R200 PolarHBondContact O-NH1 3.1Å; L175-I219 HydrophobicContact CB-CG2 3.96Å; L175-I219 HydrophobicContact CD2-CD1 4.42Å; L175-I219 HydrophobicContact CD2-CG2 3.98Å; L175-Y260 HydrophobicContact CD2-CD1 3.8Å; L175-Y260 HydrophobicContact CD2-CE1 3.99Å; L175-H263 PolarHBondContact N-CE1 2.96Å
176	I	92.8	Very high	90.8	Very high	79 Å²	79	77.6 Å²	77.6	41%	0.405	40%	0.395	S	S	.	.			trans	-83.9	99.7	172.5	-58	174.9	0	0	0	108.2	R168 D170 H174	R168-I176 HydrophobicContact CB-CD1 4.24Å; R168-I176 WeakPolarHBondContact O-CB 3.42Å; R168-I176 PolarHBondContact O-N 2.82Å; D170-I176 HydrophobicContact CB-CD1 4.18Å; D170-I176 HydrophobicContact CB-CG1 4.1Å; H174-I176 PolarHBondContact O-N 3.28Å
177	C	89.6	Confident	92.3	Very high	26 Å²	26	74.4 Å²	74.4	18%	0.176	37%	0.373	C	S	.	.			trans	-113.6	152.1	172.8	-68.9	0	0	0	0	111.7	L175 D181 V189 M202	L175-C177 WeakPolarHBondContact CD2-SG 3.23Å; L175-C177 VanDerWaalsContact CG-SG 3.55Å; L175-C177 PolarHBondContact O-N 3.05Å; C177-D181 WeakPolarHBondContact CA-OD2 3.37Å; C177-V189 HydrophobicContact CB-CG2 4.45Å; C177-M202 HydrophobicContact CB-CE 4.23Å
178	R	90.4	Very high	92.9	Very high	181 Å²	181	74.9 Å²	74.9	68%	0.683	37%	0.371	S	S	*	.			trans	-127.4	162.4	174.5	-62.9	179.5	177	-173.1	-3.5	110.2	G180 D181 V189	R178-G180 PolarHBondContact O-N 3.16Å; R178-D181 PolarHBondContact N-OD2 3.45Å; R178-D181 WeakPolarHBondContact O-CB 3.46Å; R178-D181 PolarHBondContact O-N 3.24Å; R178-D181 VanDerWaalsContact O-N 3.12Å; R178-V189 WeakPolarHBondContact O-CB 3.32Å
179	S	93.9	Very high	93.2	Very high	94 Å²	94	67.1 Å²	67.1	66%	0.657	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	132.4	170.2	-166.3	0	0	0	0	110	V189 V190	S179-V189 CarbonylContact C-O 3.55Å; S179-V189 WeakPolarHBondContact CA-O 3.25Å; S179-V190 WeakPolarHBondContact CB-O 3.35Å; S179-V190 PolarHBondContact OG-O 2.86Å
180	G	93.6	Very high	93.4	Very high	40 Å²	40	66.4 Å²	66.4	41%	0.412	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	-7.3	-173.4	0	0	0	0	0	115.7	R178 V189	R178-G180 PolarHBondContact O-N 3.16Å; G180-V189 PolarHBondContact N-O 2.89Å
181	D	94.1	Very high	93.6	Very high	42 Å²	42	66.7 Å²	66.7	23%	0.225	35%	0.346	C	S	.	.			trans	-71.1	136.9	173.6	-73.6	-22.7	0	0	0	110.7	C177 R178 E188 V189	C177-D181 WeakPolarHBondContact CA-OD2 3.37Å; R178-D181 PolarHBondContact N-OD2 3.45Å; R178-D181 WeakPolarHBondContact O-CB 3.46Å; R178-D181 PolarHBondContact O-N 3.24Å; R178-D181 VanDerWaalsContact O-N 3.12Å; D181-E188 CarbonylContact O-C 3.58Å; D181-E188 WeakPolarHBondContact O-CA 3.32Å; D181-V189 PolarHBondContact O-N 2.85Å
182	V	94.4	Very high	93.8	Very high	68 Å²	68	60.5 Å²	60.5	41%	0.412	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	112.1	-179	-174.8	0	0	0	0	111.1	Y187 E188	V182-Y187 WeakPolarHBondContact CA-O 3.46Å; V182-E188 HydrophobicContact CG2-CB 4.13Å; V182-E188 HydrophobicContact CG2-CG 4.37Å
183	L	94.1	Very high	94	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.016	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	138.7	175.3	-74.9	71.2	0	0	0	110.3	L175 E185 R186 Y187 V189 L217 I219 Y260	L175-L183 HydrophobicContact CD2-CD2 3.97Å; L183-E185 PolarHBondContact O-N 2.81Å; L183-E185 VanDerWaalsContact O-N 3.1Å; L183-R186 PolarHBondContact O-N 3.39Å; L183-Y187 PolarHBondContact N-O 3.21Å; L183-Y187 PolarHBondContact O-N 3.14Å; L183-V189 HydrophobicContact CD1-CG2 3.69Å; L183-L217 HydrophobicContact CD2-CD2 4.02Å; L183-I219 HydrophobicContact CD2-CD1 3.86Å; L183-Y260 HydrophobicContact CB-CE2 4.43Å; L183-Y260 HydrophobicContact CD2-CD1 4.08Å; L183-Y260 HydrophobicContact CD2-CE1 4.25Å; L183-Y260 HydrophobicContact CD2-CG 4.48Å; L183-Y260 HydrophobicContact CG-CD1 4.23Å; L183-Y260 HydrophobicContact CG-CE1 3.94Å
184	Q	92.4	Very high	93.9	Very high	109 Å²	109	59.2 Å²	59.2	51%	0.509	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	31.1	175.8	-158.1	63.9	-3.1	0	0	114.7	R186 Y187 F258	Q184-R186 WeakPolarHBondContact O-CB 3.18Å; Q184-R186 PolarHBondContact O-N 2.93Å; Q184-Y187 HydrophobicContact CB-CD2 4.47Å; Q184-F258 HydrophobicContact CB-CD2 4.25Å; Q184-F258 HydrophobicContact CB-CE2 3.92Å; Q184-F258 HydrophobicContact CB-CZ 4.33Å; Q184-F258 HydrophobicContact CG-CD2 4.3Å; Q184-F258 HydrophobicContact CG-CE2 4.46Å
185	E	92.3	Very high	93.8	Very high	190 Å²	190	64.4 Å²	64.4	89%	0.888	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	23.3	-175.8	-57.1	178.8	170.5	0	0	113.7	L183	L183-E185 PolarHBondContact O-N 2.81Å; L183-E185 VanDerWaalsContact O-N 3.1Å
186	R	94.3	Very high	93.4	Very high	38 Å²	38	66 Å²	66	14%	0.143	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.8	-40.1	-168.5	177.4	175.9	173.6	-164.4	-8	114.8	L183 Q184 D206 H207 R208 D256	L183-R186 PolarHBondContact O-N 3.39Å; Q184-R186 WeakPolarHBondContact O-CB 3.18Å; Q184-R186 PolarHBondContact O-N 2.93Å; R186-D206 WeakPolarHBondContact CG-OD1 3.32Å; R186-D206 IonicContact CZ-OD1 3.85Å; R186-D206 IonicContact CZ-OD2 3.51Å; R186-D206 VanDerWaalsContact CZ-OD2 3.24Å; R186-D206 VanDerWaalsContact NE-CG 3.27Å; R186-D206 IonicContact NE-OD1 2.69Å; R186-D206 PolarHBondContact NE-OD1 2.94Å; R186-D206 IonicContact NE-OD2 3.9Å; R186-D206 PolarHBondContact NE-OD2 3.03Å; R186-D206 IonicContact NH2-OD1 3.71Å; R186-D206 IonicContact NH2-OD2 3.31Å; R186-D206 PolarHBondContact NH2-OD2 2.93Å; R186-H207 PolarHBondContact O-CD2 3.23Å; R186-H207 VanDerWaalsContact O-CD2 3.23Å; R186-H207 PolarHBondContact O-N 2.91Å; R186-R208 HydrophobicContact CG-CB 4.15Å; R186-D256 IonicContact CZ-OD2 3.61Å; R186-D256 IonicContact NH1-OD2 2.84Å; R186-D256 PolarHBondContact NH1-OD2 3.48Å; R186-D256 IonicContact NH2-OD2 3.6Å
187	Y	96.6	Very high	93.1	Very high	1 Å²	1	66.5 Å²	66.5	0%	0.004	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	97	-170.8	-59.6	-78.9	0	0	0	110.3	V182 L183 Q184 I205 D206 I215 D256 F258 S267	V182-Y187 WeakPolarHBondContact CA-O 3.46Å; L183-Y187 PolarHBondContact N-O 3.21Å; L183-Y187 PolarHBondContact O-N 3.14Å; Q184-Y187 HydrophobicContact CB-CD2 4.47Å; Y187-I205 WeakPolarHBondContact CA-O 3.5Å; Y187-D206 HydrophobicContact CD1-CB 4.1Å; Y187-D206 HydrophobicContact CE1-CB 4.07Å; Y187-I215 HydrophobicContact CD1-CD1 3.85Å; Y187-I215 HydrophobicContact CD1-CG1 3.98Å; Y187-I215 HydrophobicContact CE1-CD1 4.07Å; Y187-I215 HydrophobicContact CE1-CG1 4.12Å; Y187-D256 WeakPolarHBondContact OH-CB 3.26Å; Y187-F258 AromaticContact CD2-CE1 3.76Å; Y187-F258 HydrophobicContact CD2-CE1 3.76Å; Y187-F258 AromaticContact CD2-CZ 3.69Å; Y187-F258 HydrophobicContact CD2-CZ 3.69Å; Y187-F258 HydrophobicContact CE2-CD1 4.13Å; Y187-F258 AromaticContact CE2-CE1 3.32Å; Y187-F258 HydrophobicContact CE2-CE1 3.32Å; Y187-F258 AromaticContact CE2-CZ 3.76Å; Y187-F258 HydrophobicContact CE2-CZ 3.76Å; Y187-S267 PolarHBondContact OH-OG 2.81Å
188	E	96.5	Very high	93	Very high	64 Å²	64	69.9 Å²	69.9	30%	0.299	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.6	174	177.2	-178.7	-168.4	0	0	110	D181 V182 C204 I205 H207	D181-E188 CarbonylContact O-C 3.58Å; D181-E188 WeakPolarHBondContact O-CA 3.32Å; V182-E188 HydrophobicContact CG2-CB 4.13Å; V182-E188 HydrophobicContact CG2-CG 4.37Å; E188-C204 CarbonylContact O-C 3.6Å; E188-C204 WeakPolarHBondContact O-CA 3.46Å; E188-C204 VanDerWaalsContact O-CB 3.27Å; E188-C204 WeakPolarHBondContact O-CB 3.43Å; E188-I205 HydrophobicContact CB-CB 4.38Å; E188-I205 PolarHBondContact N-O 3.01Å; E188-I205 PolarHBondContact O-N 3.47Å; E188-H207 WeakPolarHBondContact CB-NE2 3.39Å; E188-H207 IonicContact OE2-CE1 3.24Å; E188-H207 PolarHBondContact OE2-CE1 3.49Å; E188-H207 IonicContact OE2-NE2 3.76Å
189	V	96.9	Very high	93.1	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.018	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	123.5	178.3	176.8	0	0	0	0	110	C177 R178 S179 G180 D181 L183 M202	C177-V189 HydrophobicContact CB-CG2 4.45Å; R178-V189 WeakPolarHBondContact O-CB 3.32Å; S179-V189 CarbonylContact C-O 3.55Å; S179-V189 WeakPolarHBondContact CA-O 3.25Å; G180-V189 PolarHBondContact N-O 2.89Å; D181-V189 PolarHBondContact O-N 2.85Å; L183-V189 HydrophobicContact CD1-CG2 3.69Å; V189-M202 HydrophobicContact CG1-CB 4.45Å; V189-M202 HydrophobicContact CG1-CG 4.45Å; V189-M202 HydrophobicContact CG1-SD 4.38Å
190	V	97	Very high	93.1	Very high	47 Å²	47	59.2 Å²	59.2	29%	0.285	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-55.6	176.1	-178.1	0	0	0	0	110.2	S179 R203 I205	S179-V190 WeakPolarHBondContact CB-O 3.35Å; S179-V190 PolarHBondContact OG-O 2.86Å; V190-R203 HydrophobicContact CB-CB 4.47Å; V190-R203 HydrophobicContact CB-CG 4.21Å; V190-R203 WeakPolarHBondContact CB-O 3.35Å; V190-R203 PolarHBondContact N-O 3.16Å; V190-I205 HydrophobicContact CG2-CD1 3.9Å; V190-I205 HydrophobicContact CG2-CG1 3.78Å
191	S	96.4	Very high	93.3	Very high	51 Å²	51	59.5 Å²	59.5	36%	0.357	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	159.7	-175.9	65.3	0	0	0	0	111.9	M202 R203	S191-M202 CarbonylContact O-C 3.45Å; S191-M202 WeakPolarHBondContact O-CA 3.18Å; S191-R203 PolarHBondContact N-O 3.44Å; S191-R203 PolarHBondContact O-N 2.87Å
192	T	95.4	Very high	93.4	Very high	81 Å²	81	57.8 Å²	57.8	50%	0.497	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	135	166.6	-48.1	0	0	0	0	109.8	M202	T192-M202 HydrophobicContact CG2-SD 4.05Å; T192-M202 PolarHBondContact OG1-SD 3.46Å
193	L	93.6	Very high	93.6	Very high	85 Å²	85	58.7 Å²	58.7	45%	0.445	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-34.6	171.8	-68	170.8	0	0	0	111.5	V201 R203 A216 L270	L193-V201 HydrophobicContact CB-CB 4.44Å; L193-V201 HydrophobicContact CB-CG1 4.26Å; L193-V201 HydrophobicContact CD1-CG1 4.22Å; L193-V201 PolarHBondContact N-O 3.38Å; L193-R203 HydrophobicContact CD1-CB 3.96Å; L193-R203 HydrophobicContact CD2-CB 4.05Å; L193-R203 HydrophobicContact CG-CB 3.89Å; L193-A216 HydrophobicContact CD1-CB 4.1Å; L193-L270 HydrophobicContact CD1-CD1 3.64Å
194	G	90.6	Very high	93.7	Very high	31 Å²	31	58.5 Å²	58.5	32%	0.32	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	162.5	177	0	0	0	0	0	113	V201	G194-V201 PolarHBondContact N-O 2.92Å; G194-V201 PolarHBondContact O-N 2.91Å
195	E	90.5	Very high	93.9	Very high	113 Å²	113	55.1 Å²	55.1	53%	0.528	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	141.2	178.7	-178.7	158.9	172.8	0	0	109.9	H174 R200	H174-E195 IonicContact CE1-OE1 3.05Å; H174-E195 IonicContact NE2-OE1 3.85Å; H174-E195 PolarHBondContact NE2-OE1 2.69Å; E195-R200 HydrophobicContact CB-CG 4.15Å; E195-R200 HydrophobicContact CG-CG 3.81Å; E195-R200 IonicContact OE1-CZ 3.6Å; E195-R200 IonicContact OE1-NE 3.78Å; E195-R200 PolarHBondContact OE1-NE 3.2Å; E195-R200 VanDerWaalsContact OE1-NE 3.15Å; E195-R200 IonicContact OE1-NH2 3.66Å; E195-R200 PolarHBondContact OE1-NH2 3.36Å; E195-R200 IonicContact OE2-CZ 3.42Å; E195-R200 IonicContact OE2-NE 2.7Å; E195-R200 PolarHBondContact OE2-NE 2.8Å; E195-R200 IonicContact OE2-NH2 3.57Å
196	G	85.8	Confident	94.1	Very high	39 Å²	39	46.4 Å²	46.4	40%	0.402	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	-177.7	-179.4	0	0	0	0	0	112.8	F198 G199	G196-F198 PolarHBondContact O-N 2.87Å; G196-G199 PolarHBondContact N-O 3.29Å; G196-G199 PolarHBondContact O-N 2.95Å; G196-G199 VanDerWaalsContact O-O 3.05Å
197	T	86.3	Confident	94.1	Very high	91 Å²	91	49.1 Å²	49.1	56%	0.558	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-29.2	-174.4	50.7	0	0	0	0	114.3	K221 Y226	T197-K221 WeakPolarHBondContact O-CE 3.22Å; T197-Y226 WeakPolarHBondContact O-CE2 3.5Å; T197-Y226 PolarHBondContact O-OH 2.79Å
198	F	87.4	Confident	93.7	Very high	97 Å²	97	57.9 Å²	57.9	43%	0.425	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-22.2	-179.3	-61.8	-87.1	0	0	0	114.2	G196 I220 K221 Y226	G196-F198 PolarHBondContact O-N 2.87Å; F198-I220 WeakPolarHBondContact O-CA 3.46Å; F198-K221 PolarHBondContact O-N 3.44Å; F198-Y226 AromaticContact CD1-CD1 3.61Å; F198-Y226 HydrophobicContact CD1-CD1 3.61Å; F198-Y226 HydrophobicContact CD1-CE1 4.07Å; F198-Y226 HydrophobicContact CD1-CG 4.45Å; F198-Y226 HydrophobicContact CE1-CD1 4.07Å; F198-Y226 HydrophobicContact CE1-CE1 4.34Å; F198-Y226 HydrophobicContact CG-CD1 4.43Å
199	G	92.8	Very high	93	Very high	9 Å²	9	56.5 Å²	56.5	9%	0.093	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.9	-162.9	-169.4	0	0	0	0	0	114.4	G196 I219	G196-G199 PolarHBondContact N-O 3.29Å; G196-G199 PolarHBondContact O-N 2.95Å; G196-G199 VanDerWaalsContact O-O 3.05Å; G199-I219 CarbonylContact C-O 3.53Å; G199-I219 VanDerWaalsContact CA-O 3.22Å; G199-I219 WeakPolarHBondContact CA-O 3.46Å
200	R	95	Very high	91.7	Very high	41 Å²	41	68.8 Å²	68.8	16%	0.155	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.2	176.4	-71.3	172.4	-180	126.5	17.2	110	D170 L175 E195 M202 I219	D170-R200 IonicContact OD2-CZ 3.69Å; D170-R200 IonicContact OD2-NH1 3.2Å; D170-R200 PolarHBondContact OD2-NH1 2.9Å; D170-R200 VanDerWaalsContact OD2-NH1 3.13Å; D170-R200 IonicContact OD2-NH2 2.68Å; D170-R200 PolarHBondContact OD2-NH2 2.96Å; D170-R200 VanDerWaalsContact OD2-NH2 3.09Å; L175-R200 PolarHBondContact O-NH1 3.1Å; E195-R200 HydrophobicContact CB-CG 4.15Å; E195-R200 HydrophobicContact CG-CG 3.81Å; E195-R200 IonicContact OE1-CZ 3.6Å; E195-R200 IonicContact OE1-NE 3.78Å; E195-R200 PolarHBondContact OE1-NE 3.2Å; E195-R200 VanDerWaalsContact OE1-NE 3.15Å; E195-R200 IonicContact OE1-NH2 3.66Å; E195-R200 PolarHBondContact OE1-NH2 3.36Å; E195-R200 IonicContact OE2-CZ 3.42Å; E195-R200 IonicContact OE2-NE 2.7Å; E195-R200 PolarHBondContact OE2-NE 2.8Å; E195-R200 IonicContact OE2-NH2 3.57Å; R200-M202 HydrophobicContact CB-CE 3.88Å; R200-M202 HydrophobicContact CG-CE 4.39Å; R200-I219 PolarHBondContact N-O 2.91Å; R200-I219 PolarHBondContact O-N 3.18Å
201	V	96.3	Very high	90.5	Very high	47 Å²	47	70.6 Å²	70.6	29%	0.285	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124	169.2	-173.7	0	0	0	0	107.7	L193 G194 A216 L217 K218	L193-V201 HydrophobicContact CB-CB 4.44Å; L193-V201 HydrophobicContact CB-CG1 4.26Å; L193-V201 HydrophobicContact CD1-CG1 4.22Å; L193-V201 PolarHBondContact N-O 3.38Å; G194-V201 PolarHBondContact N-O 2.92Å; G194-V201 PolarHBondContact O-N 2.91Å; V201-A216 HydrophobicContact CG1-CB 4.25Å; V201-L217 WeakPolarHBondContact CA-O 3.31Å; V201-K218 HydrophobicContact CG2-CB 4.4Å; V201-K218 HydrophobicContact CG2-CG 4.21Å
202	M	96.9	Very high	89.8	Confident	5 Å²	5	69.3 Å²	69.3	3%	0.025	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.1	-178.1	-59.3	-61.2	-173.6	0	0	110.6	C177 V189 S191 T192 R200 A216 L217 I219	C177-M202 HydrophobicContact CB-CE 4.23Å; V189-M202 HydrophobicContact CG1-CB 4.45Å; V189-M202 HydrophobicContact CG1-CG 4.45Å; V189-M202 HydrophobicContact CG1-SD 4.38Å; S191-M202 CarbonylContact O-C 3.45Å; S191-M202 WeakPolarHBondContact O-CA 3.18Å; T192-M202 HydrophobicContact CG2-SD 4.05Å; T192-M202 PolarHBondContact OG1-SD 3.46Å; R200-M202 HydrophobicContact CB-CE 3.88Å; R200-M202 HydrophobicContact CG-CE 4.39Å; M202-A216 CarbonylContact O-C 3.53Å; M202-A216 WeakPolarHBondContact O-CA 3.15Å; M202-L217 PolarHBondContact N-O 3.05Å; M202-L217 PolarHBondContact O-N 3.37Å; M202-I219 HydrophobicContact CG-CD1 3.91Å
203	R	97.7	Very high	89.6	Confident	87 Å²	87	67.7 Å²	67.7	33%	0.328	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	125	159.8	178.5	174.5	175.8	158.1	-6	107.4	V190 S191 L193 H214 L270	V190-R203 HydrophobicContact CB-CB 4.47Å; V190-R203 HydrophobicContact CB-CG 4.21Å; V190-R203 WeakPolarHBondContact CB-O 3.35Å; V190-R203 PolarHBondContact N-O 3.16Å; S191-R203 PolarHBondContact N-O 3.44Å; S191-R203 PolarHBondContact O-N 2.87Å; L193-R203 HydrophobicContact CD1-CB 3.96Å; L193-R203 HydrophobicContact CD2-CB 4.05Å; L193-R203 HydrophobicContact CG-CB 3.89Å; R203-H214 PolarHBondContact NE-ND1 2.96Å; R203-H214 PolarHBondContact NH2-CD2 2.99Å; R203-H214 PolarHBondContact NH2-NE2 3.34Å; R203-L270 HydrophobicContact CG-CD2 4.13Å
204	C	97.8	Very high	89.7	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	163.6	175.8	-64.7	0	0	0	0	111.9	E188 H214 I215	E188-C204 CarbonylContact O-C 3.6Å; E188-C204 WeakPolarHBondContact O-CA 3.46Å; E188-C204 VanDerWaalsContact O-CB 3.27Å; E188-C204 WeakPolarHBondContact O-CB 3.43Å; C204-H214 VanDerWaalsContact O-CA 3.26Å; C204-H214 WeakPolarHBondContact O-CA 3.4Å; C204-H214 PolarHBondContact O-ND1 3.46Å; C204-I215 HydrophobicContact CB-CD1 3.73Å; C204-I215 HydrophobicContact CB-CG1 4.06Å; C204-I215 PolarHBondContact N-O 3.34Å; C204-I215 PolarHBondContact O-N 2.72Å
205	I	96.8	Very high	90.1	Very high	38 Å²	38	65.8 Å²	65.8	20%	0.195	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.8	162.2	-66.2	163.6	0	0	0	107.3	Y187 E188 V190 H214	Y187-I205 WeakPolarHBondContact CA-O 3.5Å; E188-I205 HydrophobicContact CB-CB 4.38Å; E188-I205 PolarHBondContact N-O 3.01Å; E188-I205 PolarHBondContact O-N 3.47Å; V190-I205 HydrophobicContact CG2-CD1 3.9Å; V190-I205 HydrophobicContact CG2-CG1 3.78Å; I205-H214 VanDerWaalsContact CG1-CE1 3.48Å; I205-H214 WeakPolarHBondContact CG1-CE1 3.12Å
206	D	96.1	Very high	90.4	Very high	6 Å²	6	61 Å²	61	3%	0.032	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	101.3	172	-179.1	-9.5	0	0	0	110.1	R186 Y187 R208 S209 A213 I215	R186-D206 WeakPolarHBondContact CG-OD1 3.32Å; R186-D206 IonicContact CZ-OD1 3.85Å; R186-D206 IonicContact CZ-OD2 3.51Å; R186-D206 VanDerWaalsContact CZ-OD2 3.24Å; R186-D206 VanDerWaalsContact NE-CG 3.27Å; R186-D206 IonicContact NE-OD1 2.69Å; R186-D206 PolarHBondContact NE-OD1 2.94Å; R186-D206 IonicContact NE-OD2 3.9Å; R186-D206 PolarHBondContact NE-OD2 3.03Å; R186-D206 IonicContact NH2-OD1 3.71Å; R186-D206 IonicContact NH2-OD2 3.31Å; R186-D206 PolarHBondContact NH2-OD2 2.93Å; Y187-D206 HydrophobicContact CD1-CB 4.1Å; Y187-D206 HydrophobicContact CE1-CB 4.07Å; D206-R208 PolarHBondContact O-N 2.88Å; D206-R208 VanDerWaalsContact O-N 3.16Å; D206-R208 WeakPolarHBondContact OD1-CB 3.48Å; D206-R208 PolarHBondContact OD1-N 3.23Å; D206-S209 WeakPolarHBondContact CB-OG 3.3Å; D206-S209 VanDerWaalsContact O-CB 3.27Å; D206-S209 WeakPolarHBondContact O-CB 3.23Å; D206-S209 PolarHBondContact O-N 2.86Å; D206-S209 VanDerWaalsContact O-N 3.1Å; D206-S209 PolarHBondContact O-OG 2.97Å; D206-A213 PolarHBondContact N-O 3.4Å; D206-I215 HydrophobicContact CB-CG1 4.29Å; D206-I215 HydrophobicContact CB-CG2 4.18Å
207	H	93.1	Very high	91	Very high	96 Å²	96	59.1 Å²	59.1	44%	0.444	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15	-179.8	-60.4	-57.6	0	0	0	114.6	R186 E188 S209	R186-H207 PolarHBondContact O-CD2 3.23Å; R186-H207 VanDerWaalsContact O-CD2 3.23Å; R186-H207 PolarHBondContact O-N 2.91Å; E188-H207 WeakPolarHBondContact CB-NE2 3.39Å; E188-H207 IonicContact OE2-CE1 3.24Å; E188-H207 PolarHBondContact OE2-CE1 3.49Å; E188-H207 IonicContact OE2-NE2 3.76Å; H207-S209 VanDerWaalsContact C-N 3.32Å
208	R	89	Confident	91.5	Very high	185 Å²	185	56.1 Å²	56.1	70%	0.698	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-24.5	176	-168	179.4	176.1	-165.5	-4.2	111.7	R186 D206	R186-R208 HydrophobicContact CG-CB 4.15Å; D206-R208 PolarHBondContact O-N 2.88Å; D206-R208 VanDerWaalsContact O-N 3.16Å; D206-R208 WeakPolarHBondContact OD1-CB 3.48Å; D206-R208 PolarHBondContact OD1-N 3.23Å
209	S	81.3	Confident	92	Very high	34 Å²	34	51.8 Å²	51.8	24%	0.238	27%	0.267	C	S	.	.	S	Bend	trans	-69.8	132.2	174.4	-37	0	0	0	0	109.9	D206 H207 G211 G212	D206-S209 WeakPolarHBondContact CB-OG 3.3Å; D206-S209 VanDerWaalsContact O-CB 3.27Å; D206-S209 WeakPolarHBondContact O-CB 3.23Å; D206-S209 PolarHBondContact O-N 2.86Å; D206-S209 VanDerWaalsContact O-N 3.1Å; D206-S209 PolarHBondContact O-OG 2.97Å; H207-S209 VanDerWaalsContact C-N 3.32Å; S209-G211 PolarHBondContact O-N 2.95Å; S209-G212 PolarHBondContact O-N 3.31Å; S209-G212 VanDerWaalsContact O-N 3.07Å
210	R	70.3	Confident	92.3	Very high	261 Å²	261	51.6 Å²	51.6	99%	0.985	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	115.2	169.8	-73.8	-175.6	174.1	-176.8	-1.9	108.9
211	G	71.4	Confident	92.3	Very high	85 Å²	85	50.2 Å²	50.2	88%	0.876	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	4.2	-178.8	0	0	0	0	0	116	S209	S209-G211 PolarHBondContact O-N 2.95Å
212	G	81.2	Confident	92.2	Very high	25 Å²	25	50.4 Å²	50.4	26%	0.258	26%	0.258	S	S	.	.			trans	68.2	57.9	174.2	0	0	0	0	0	113.5	S209	S209-G212 PolarHBondContact O-N 3.31Å; S209-G212 VanDerWaalsContact O-N 3.07Å
213	A	92.4	Very high	92.1	Very high	47 Å²	47	52.8 Å²	52.8	39%	0.388	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	139.2	179.9	0	0	0	0	0	111.6	D206	D206-A213 PolarHBondContact N-O 3.4Å
214	H	96.1	Very high	91.9	Very high	74 Å²	74	52.9 Å²	52.9	34%	0.343	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	137.8	171.8	-71.7	-66.5	0	0	0	111.4	R203 C204 I205 L270	R203-H214 PolarHBondContact NE-ND1 2.96Å; R203-H214 PolarHBondContact NH2-CD2 2.99Å; R203-H214 PolarHBondContact NH2-NE2 3.34Å; C204-H214 VanDerWaalsContact O-CA 3.26Å; C204-H214 WeakPolarHBondContact O-CA 3.4Å; C204-H214 PolarHBondContact O-ND1 3.46Å; I205-H214 VanDerWaalsContact CG1-CE1 3.48Å; I205-H214 WeakPolarHBondContact CG1-CE1 3.12Å; H214-L270 HydrophobicContact CB-CD2 3.63Å
215	I	97.3	Very high	91.8	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	159.9	-179.3	65.5	84.5	0	0	0	110.3	Y187 C204 D206 L217 Y255 F268	Y187-I215 HydrophobicContact CD1-CD1 3.85Å; Y187-I215 HydrophobicContact CD1-CG1 3.98Å; Y187-I215 HydrophobicContact CE1-CD1 4.07Å; Y187-I215 HydrophobicContact CE1-CG1 4.12Å; C204-I215 HydrophobicContact CB-CD1 3.73Å; C204-I215 HydrophobicContact CB-CG1 4.06Å; C204-I215 PolarHBondContact N-O 3.34Å; C204-I215 PolarHBondContact O-N 2.72Å; D206-I215 HydrophobicContact CB-CG1 4.29Å; D206-I215 HydrophobicContact CB-CG2 4.18Å; I215-L217 HydrophobicContact CD1-CB 3.78Å; I215-L217 HydrophobicContact CD1-CD1 4.37Å; I215-Y255 HydrophobicContact CG2-CD2 3.91Å; I215-Y255 HydrophobicContact CG2-CE2 3.94Å; I215-F268 WeakPolarHBondContact CB-O 3.04Å
216	A	98.2	Very high	91.7	Very high	12 Å²	12	59 Å²	59	10%	0.099	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.9	167.1	0	0	0	0	0	109.2	L193 V201 M202 S267 F268 L270	L193-A216 HydrophobicContact CD1-CB 4.1Å; V201-A216 HydrophobicContact CG1-CB 4.25Å; M202-A216 CarbonylContact O-C 3.53Å; M202-A216 WeakPolarHBondContact O-CA 3.15Å; A216-S267 CarbonylContact O-C 3.56Å; A216-S267 WeakPolarHBondContact O-CA 3.43Å; A216-F268 HydrophobicContact CB-CB 4.34Å; A216-F268 PolarHBondContact N-O 2.82Å; A216-F268 VanDerWaalsContact N-O 3.1Å; A216-F268 PolarHBondContact O-N 3.4Å; A216-L270 HydrophobicContact CB-CD1 4.22Å
217	L	97.9	Very high	91.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	106.3	179.8	-169.3	68.5	0	0	0	109.9	L183 V201 M202 I215 I219 F258 C265 I266	L183-L217 HydrophobicContact CD2-CD2 4.02Å; V201-L217 WeakPolarHBondContact CA-O 3.31Å; M202-L217 PolarHBondContact N-O 3.05Å; M202-L217 PolarHBondContact O-N 3.37Å; I215-L217 HydrophobicContact CD1-CB 3.78Å; I215-L217 HydrophobicContact CD1-CD1 4.37Å; L217-I219 HydrophobicContact CD2-CD1 4.17Å; L217-I219 HydrophobicContact CD2-CG1 4.15Å; L217-I219 HydrophobicContact CG-CG1 4.05Å; L217-F258 HydrophobicContact CD1-CE1 3.95Å; L217-F258 HydrophobicContact CD1-CZ 4.08Å; L217-F258 HydrophobicContact CD2-CZ 4.4Å; L217-C265 HydrophobicContact CD1-CB 4.3Å; L217-I266 CarbonylContact C-O 3.47Å; L217-I266 WeakPolarHBondContact CA-O 3.26Å
218	K	97.6	Very high	91.6	Very high	29 Å²	29	60.4 Å²	60.4	13%	0.126	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	112.5	173.3	-168.7	-178.9	-162.4	-177.6	0	108.2	V201 I220 E233 C265 I266 F268 D352	V201-K218 HydrophobicContact CG2-CB 4.4Å; V201-K218 HydrophobicContact CG2-CG 4.21Å; K218-I220 HydrophobicContact CD-CD1 4.16Å; K218-I220 HydrophobicContact CG-CD1 4.01Å; K218-E233 IonicContact NZ-OE1 2.71Å; K218-E233 PolarHBondContact NZ-OE1 3.41Å; K218-E233 IonicContact NZ-OE2 3.45Å; K218-E233 PolarHBondContact NZ-OE2 2.82Å; K218-C265 CarbonylContact O-C 3.55Å; K218-C265 WeakPolarHBondContact O-CA 3.38Å; K218-I266 HydrophobicContact CB-CB 4.4Å; K218-I266 PolarHBondContact N-O 3.49Å; K218-I266 PolarHBondContact O-N 2.78Å; K218-F268 HydrophobicContact CB-CD2 4.48Å; K218-F268 HydrophobicContact CB-CE2 3.85Å; K218-F268 HydrophobicContact CD-CE2 4.26Å; K218-D352 IonicContact NZ-OD1 2.86Å; K218-D352 PolarHBondContact NZ-OD1 3.37Å
219	I	97.5	Very high	91.8	Very high	6 Å²	6	53 Å²	53	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	108.9	179.9	-54.1	174.1	0	0	0	107.8	L175 L183 G199 R200 M202 L217 H263	L175-I219 HydrophobicContact CB-CG2 3.96Å; L175-I219 HydrophobicContact CD2-CD1 4.42Å; L175-I219 HydrophobicContact CD2-CG2 3.98Å; L183-I219 HydrophobicContact CD2-CD1 3.86Å; G199-I219 CarbonylContact C-O 3.53Å; G199-I219 VanDerWaalsContact CA-O 3.22Å; G199-I219 WeakPolarHBondContact CA-O 3.46Å; R200-I219 PolarHBondContact N-O 2.91Å; R200-I219 PolarHBondContact O-N 3.18Å; M202-I219 HydrophobicContact CG-CD1 3.91Å; L217-I219 HydrophobicContact CD2-CD1 4.17Å; L217-I219 HydrophobicContact CD2-CG1 4.15Å; L217-I219 HydrophobicContact CG-CG1 4.05Å; I219-H263 HydrophobicContact CG2-CB 4.02Å
220	I	97.7	Very high	92.6	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	141.7	-175.2	-56.7	-66.9	0	0	0	110.2	F198 K218 K227 A230 H263 M264	F198-I220 WeakPolarHBondContact O-CA 3.46Å; K218-I220 HydrophobicContact CD-CD1 4.16Å; K218-I220 HydrophobicContact CG-CD1 4.01Å; I220-K227 HydrophobicContact CG2-CG 4.48Å; I220-A230 HydrophobicContact CD1-CB 4.15Å; I220-A230 HydrophobicContact CG1-CB 3.76Å; I220-A230 HydrophobicContact CG2-CB 4.27Å; I220-H263 PolarHBondContact O-ND1 2.85Å; I220-M264 HydrophobicContact CB-CB 4.1Å; I220-M264 WeakPolarHBondContact CB-O 3.36Å; I220-M264 HydrophobicContact CG1-CB 4.11Å; I220-M264 VanDerWaalsContact CG1-O 3.25Å; I220-M264 WeakPolarHBondContact CG1-O 3.29Å; I220-M264 PolarHBondContact N-O 3.2Å
221	K	95.3	Very high	93.8	Very high	12 Å²	12	43.3 Å²	43.3	5%	0.052	24%	0.244	C	C	.	.			trans	-59	147.7	175.5	-53.8	-153.5	-151.9	-152.5	0	110.8	E172 G173 H174 T197 F198 V223 Y226	E172-K221 HydrophobicContact CB-CD 4.5Å; E172-K221 VanDerWaalsContact O-CD 3.23Å; E172-K221 WeakPolarHBondContact O-CD 3.49Å; E172-K221 IonicContact OE2-NZ 2.69Å; E172-K221 PolarHBondContact OE2-NZ 3.47Å; G173-K221 CarbonylContact O-C 3.57Å; G173-K221 WeakPolarHBondContact O-CA 3.46Å; G173-K221 WeakPolarHBondContact O-CB 3.43Å; H174-K221 PolarHBondContact CD2-NZ 2.78Å; H174-K221 VanDerWaalsContact CD2-NZ 3.28Å; H174-K221 WeakPolarHBondContact CE1-CE 3.33Å; H174-K221 WeakPolarHBondContact NE2-CE 3.31Å; H174-K221 PolarHBondContact NE2-NZ 2.72Å; T197-K221 WeakPolarHBondContact O-CE 3.22Å; F198-K221 PolarHBondContact O-N 3.44Å; K221-V223 HydrophobicContact CB-CG2 4.27Å; K221-V223 PolarHBondContact O-N 2.96Å; K221-Y226 HydrophobicContact CB-CD2 4.03Å; K221-Y226 HydrophobicContact CD-CE2 4.46Å; K221-Y226 HydrophobicContact CG-CD2 4.48Å
222	N	94.9	Very high	94.9	Very high	52 Å²	52	44.1 Å²	44.1	28%	0.278	23%	0.228	S	C	.	.	S	Bend	trans	-76.7	51.5	-179.4	-164.3	2.8	0	0	0	113	D169 G173 K227 G262	D169-N222 WeakPolarHBondContact OD2-CB 3.39Å; D169-N222 PolarHBondContact OD2-ND2 2.84Å; D169-N222 VanDerWaalsContact OD2-ND2 3.07Å; G173-N222 PolarHBondContact O-N 2.68Å; N222-K227 PolarHBondContact OD1-NZ 3.02Å; N222-G262 PolarHBondContact OD1-O 3.48Å
223	V	95.1	Very high	95.6	Very high	55 Å²	55	43.3 Å²	43.3	33%	0.333	22%	0.217	S	C	.	.			trans	-125	125.8	-179.7	-171.9	0	0	0	0	108.2	K221 K225 Y226 K227	K221-V223 HydrophobicContact CB-CG2 4.27Å; K221-V223 PolarHBondContact O-N 2.96Å; V223-K225 VanDerWaalsContact C-N 3.31Å; V223-K225 HydrophobicContact CG1-CG 4.16Å; V223-K225 PolarHBondContact O-N 2.83Å; V223-K225 VanDerWaalsContact O-N 3.14Å; V223-Y226 HydrophobicContact CB-CD2 3.82Å; V223-Y226 HydrophobicContact CB-CE2 4.31Å; V223-Y226 HydrophobicContact CG1-CD2 4.5Å; V223-Y226 HydrophobicContact CG2-CD2 4.28Å; V223-Y226 HydrophobicContact CG2-CE2 4.48Å; V223-Y226 PolarHBondContact O-N 2.9Å; V223-K227 PolarHBondContact O-N 2.88Å
224	E	94	Very high	95.9	Very high	88 Å²	88	41.3 Å²	41.3	41%	0.411	20%	0.2	S	C	.	.	H	α-helix	trans	-56.4	-40.8	-163.8	-156.8	59.4	-133.1	0	0	113.8	Y226 K227 E228 R231	E224-Y226 PolarHBondContact O-N 3.07Å; E224-K227 VanDerWaalsContact CD-CE 3.5Å; E224-K227 CarbonylContact O-C 3.58Å; E224-K227 PolarHBondContact O-N 3.04Å; E224-K227 WeakPolarHBondContact OE2-CE 3.39Å; E224-K227 IonicContact OE2-NZ 2.91Å; E224-K227 PolarHBondContact OE2-NZ 3.2Å; E224-E228 HydrophobicContact CG-CG 4.45Å; E224-E228 WeakPolarHBondContact O-CG 3.17Å; E224-E228 PolarHBondContact O-N 3.1Å; E224-R231 IonicContact OE1-CZ 3.32Å; E224-R231 IonicContact OE1-NH1 2.74Å; E224-R231 PolarHBondContact OE1-NH1 2.87Å; E224-R231 IonicContact OE1-NH2 2.93Å; E224-R231 PolarHBondContact OE1-NH2 3.2Å
225	K	93.8	Very high	95.9	Very high	124 Å²	124	41.3 Å²	41.3	54%	0.539	20%	0.203	S	C	.	.	H	α-helix	trans	-55	-35.9	176.1	72.8	-178.7	-175.7	164.9	0	113.8	V223 A229	V223-K225 VanDerWaalsContact C-N 3.31Å; V223-K225 HydrophobicContact CG1-CG 4.16Å; V223-K225 PolarHBondContact O-N 2.83Å; V223-K225 VanDerWaalsContact O-N 3.14Å; K225-A229 PolarHBondContact O-N 3Å
226	Y	94.8	Very high	96	Very high	42 Å²	42	41.4 Å²	41.4	17%	0.165	20%	0.204	C	C	.	.	H	α-helix	trans	-81.5	-32.2	179	-60.1	-47.1	0	0	0	111.1	T197 F198 K221 V223 E224 A229 A230	T197-Y226 WeakPolarHBondContact O-CE2 3.5Å; T197-Y226 PolarHBondContact O-OH 2.79Å; F198-Y226 AromaticContact CD1-CD1 3.61Å; F198-Y226 HydrophobicContact CD1-CD1 3.61Å; F198-Y226 HydrophobicContact CD1-CE1 4.07Å; F198-Y226 HydrophobicContact CD1-CG 4.45Å; F198-Y226 HydrophobicContact CE1-CD1 4.07Å; F198-Y226 HydrophobicContact CE1-CE1 4.34Å; F198-Y226 HydrophobicContact CG-CD1 4.43Å; K221-Y226 HydrophobicContact CB-CD2 4.03Å; K221-Y226 HydrophobicContact CD-CE2 4.46Å; K221-Y226 HydrophobicContact CG-CD2 4.48Å; V223-Y226 HydrophobicContact CB-CD2 3.82Å; V223-Y226 HydrophobicContact CB-CE2 4.31Å; V223-Y226 HydrophobicContact CG1-CD2 4.5Å; V223-Y226 HydrophobicContact CG2-CD2 4.28Å; V223-Y226 HydrophobicContact CG2-CE2 4.48Å; V223-Y226 PolarHBondContact O-N 2.9Å; E224-Y226 PolarHBondContact O-N 3.07Å; Y226-A229 PolarHBondContact O-N 3.32Å; Y226-A230 WeakPolarHBondContact O-CB 3.4Å; Y226-A230 PolarHBondContact O-N 2.98Å
227	K	95.1	Very high	96	Very high	21 Å²	21	40.9 Å²	40.9	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-69.7	-35.8	174.4	-60.3	-177	-61.1	-176	0	111.7	I220 N222 V223 E224 R231 G262 M264	I220-K227 HydrophobicContact CG2-CG 4.48Å; N222-K227 PolarHBondContact OD1-NZ 3.02Å; V223-K227 PolarHBondContact O-N 2.88Å; E224-K227 VanDerWaalsContact CD-CE 3.5Å; E224-K227 CarbonylContact O-C 3.58Å; E224-K227 PolarHBondContact O-N 3.04Å; E224-K227 WeakPolarHBondContact OE2-CE 3.39Å; E224-K227 IonicContact OE2-NZ 2.91Å; E224-K227 PolarHBondContact OE2-NZ 3.2Å; K227-R231 VanDerWaalsContact O-CG 3.23Å; K227-R231 WeakPolarHBondContact O-CG 3.47Å; K227-R231 PolarHBondContact O-N 2.63Å; K227-G262 WeakPolarHBondContact CD-O 3.43Å; K227-M264 HydrophobicContact CB-CG 3.98Å; K227-M264 HydrophobicContact CG-CG 4.07Å
228	E	93.8	Very high	96	Very high	112 Å²	112	44.4 Å²	44.4	52%	0.523	22%	0.215	S	C	.	.	H	α-helix	trans	-63.3	-49.5	170.1	-72.1	178.8	157.9	0	0	111.6	E224 A230 R231 L232	E224-E228 HydrophobicContact CG-CG 4.45Å; E224-E228 WeakPolarHBondContact O-CG 3.17Å; E224-E228 PolarHBondContact O-N 3.1Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 3.06Å; E228-R231 WeakPolarHBondContact O-CB 3.27Å; E228-R231 PolarHBondContact O-N 2.77Å; E228-R231 VanDerWaalsContact O-N 3.14Å; E228-L232 PolarHBondContact O-N 3.13Å
229	A	93.1	Very high	96	Very high	28 Å²	28	47 Å²	47	23%	0.231	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-44.1	174.4	0	0	0	0	0	112.2	K225 Y226 R231 L232 E233	K225-A229 PolarHBondContact O-N 3Å; Y226-A229 PolarHBondContact O-N 3.32Å; A229-R231 VanDerWaalsContact C-N 3.31Å; A229-R231 PolarHBondContact O-N 3.28Å; A229-L232 WeakPolarHBondContact O-CB 3.41Å; A229-L232 PolarHBondContact O-N 3.32Å; A229-L232 VanDerWaalsContact O-N 3.11Å; A229-E233 PolarHBondContact O-N 2.92Å
230	A	96.2	Very high	96	Very high	2 Å²	2	47 Å²	47	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-33	176.8	0	0	0	0	0	113.3	I220 Y226 E228 L232 E233 I234 M264	I220-A230 HydrophobicContact CD1-CB 4.15Å; I220-A230 HydrophobicContact CG1-CB 3.76Å; I220-A230 HydrophobicContact CG2-CB 4.27Å; Y226-A230 WeakPolarHBondContact O-CB 3.4Å; Y226-A230 PolarHBondContact O-N 2.98Å; E228-A230 VanDerWaalsContact C-N 3.33Å; E228-A230 PolarHBondContact O-N 3.06Å; A230-L232 VanDerWaalsContact C-N 3.34Å; A230-E233 PolarHBondContact O-N 2.82Å; A230-I234 WeakPolarHBondContact O-CB 3.37Å; A230-I234 WeakPolarHBondContact O-CD1 3.33Å; A230-I234 WeakPolarHBondContact O-CG1 3.27Å; A230-I234 PolarHBondContact O-N 3.29Å; A230-M264 HydrophobicContact CB-CB 4.1Å; A230-M264 HydrophobicContact CB-CG 4.4Å
231	R	95.9	Very high	96	Very high	91 Å²	91	48.2 Å²	48.2	34%	0.343	23%	0.233	S	C	.	.	H	α-helix	trans	-67.4	-34.9	173.5	-70.5	163.6	-165.7	136.5	1.7	111.7	E224 K227 E228 A229 N235 M264	E224-R231 IonicContact OE1-CZ 3.32Å; E224-R231 IonicContact OE1-NH1 2.74Å; E224-R231 PolarHBondContact OE1-NH1 2.87Å; E224-R231 IonicContact OE1-NH2 2.93Å; E224-R231 PolarHBondContact OE1-NH2 3.2Å; K227-R231 VanDerWaalsContact O-CG 3.23Å; K227-R231 WeakPolarHBondContact O-CG 3.47Å; K227-R231 PolarHBondContact O-N 2.63Å; E228-R231 WeakPolarHBondContact O-CB 3.27Å; E228-R231 PolarHBondContact O-N 2.77Å; E228-R231 VanDerWaalsContact O-N 3.14Å; A229-R231 VanDerWaalsContact C-N 3.31Å; A229-R231 PolarHBondContact O-N 3.28Å; R231-N235 WeakPolarHBondContact O-CB 3.42Å; R231-N235 VanDerWaalsContact O-CG 3.22Å; R231-N235 PolarHBondContact O-N 3.42Å; R231-N235 PolarHBondContact O-ND2 3.49Å; R231-M264 HydrophobicContact CG-CE 4.18Å
232	L	94.3	Very high	96.2	Very high	102 Å²	102	54.6 Å²	54.6	53%	0.534	26%	0.263	S	S	.	.	H	α-helix	trans	-67.4	-46.1	172.3	-61.5	175.6	0	0	0	110.9	E228 A229 A230 I234 N235 V236	E228-L232 PolarHBondContact O-N 3.13Å; A229-L232 WeakPolarHBondContact O-CB 3.41Å; A229-L232 PolarHBondContact O-N 3.32Å; A229-L232 VanDerWaalsContact O-N 3.11Å; A230-L232 VanDerWaalsContact C-N 3.34Å; L232-I234 PolarHBondContact O-N 2.74Å; L232-N235 WeakPolarHBondContact O-CB 3.21Å; L232-N235 PolarHBondContact O-N 3.12Å; L232-N235 VanDerWaalsContact O-N 3.13Å; L232-V236 PolarHBondContact O-N 3.45Å
233	E	96.9	Very high	96.3	Very high	7 Å²	7	57.9 Å²	57.9	3%	0.033	28%	0.275	C	S	.	.	H	α-helix	trans	-56.1	-48.2	175	-171	178.4	179.7	0	0	111.9	K218 A229 A230 N235 V236 L237 F353	K218-E233 IonicContact NZ-OE1 2.71Å; K218-E233 PolarHBondContact NZ-OE1 3.41Å; K218-E233 IonicContact NZ-OE2 3.45Å; K218-E233 PolarHBondContact NZ-OE2 2.82Å; A229-E233 PolarHBondContact O-N 2.92Å; A230-E233 PolarHBondContact O-N 2.82Å; E233-N235 VanDerWaalsContact C-N 3.35Å; E233-N235 PolarHBondContact O-N 3.22Å; E233-V236 PolarHBondContact O-N 2.85Å; E233-L237 HydrophobicContact CG-CD1 3.9Å; E233-L237 HydrophobicContact CG-CG 4.49Å; E233-L237 WeakPolarHBondContact O-CB 3.22Å; E233-L237 VanDerWaalsContact O-CG 3.31Å; E233-L237 WeakPolarHBondContact O-CG 3.46Å; E233-L237 PolarHBondContact O-N 3.1Å; E233-F353 HydrophobicContact CG-CB 4.43Å
234	I	98.1	Very high	96.4	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-58	-45.8	175.1	-71.8	162.2	0	0	0	111	A230 L232 V236 L237 E238 M254 W257 M264 I266	A230-I234 WeakPolarHBondContact O-CB 3.37Å; A230-I234 WeakPolarHBondContact O-CD1 3.33Å; A230-I234 WeakPolarHBondContact O-CG1 3.27Å; A230-I234 PolarHBondContact O-N 3.29Å; L232-I234 PolarHBondContact O-N 2.74Å; I234-V236 VanDerWaalsContact C-N 3.27Å; I234-V236 PolarHBondContact O-N 3.43Å; I234-L237 PolarHBondContact O-N 3.09Å; I234-E238 HydrophobicContact CG2-CG 4.33Å; I234-E238 WeakPolarHBondContact O-CG 3.48Å; I234-E238 PolarHBondContact O-N 3.16Å; I234-M254 HydrophobicContact CG1-SD 4.49Å; I234-W257 HydrophobicContact CD1-CB 4.07Å; I234-W257 HydrophobicContact CD1-CD2 3.99Å; I234-W257 HydrophobicContact CD1-CE3 4.09Å; I234-W257 HydrophobicContact CD1-CG 3.99Å; I234-W257 HydrophobicContact CG1-CB 4.3Å; I234-W257 HydrophobicContact CG1-CG 4.25Å; I234-W257 VanDerWaalsContact CG2-CD1 3.46Å; I234-W257 HydrophobicContact CG2-CD2 4.05Å; I234-W257 HydrophobicContact CG2-CG 3.88Å; I234-W257 HydrophobicContact CG2-CZ2 4.48Å; I234-M264 HydrophobicContact CD1-CE 3.45Å; I234-M264 VanDerWaalsContact CD1-CE 3.45Å; I234-I266 HydrophobicContact CD1-CD1 4.03Å; I234-I266 HydrophobicContact CD1-CG1 3.97Å; I234-I266 HydrophobicContact CG1-CD1 3.62Å; I234-I266 HydrophobicContact CG1-CG1 3.87Å
235	N	97.3	Very high	96.5	Very high	74 Å²	74	55.3 Å²	55.3	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-60.2	-37.6	178.7	-77.4	-37.6	0	0	0	112.3	R231 L232 E233 K239	R231-N235 WeakPolarHBondContact O-CB 3.42Å; R231-N235 VanDerWaalsContact O-CG 3.22Å; R231-N235 PolarHBondContact O-N 3.42Å; R231-N235 PolarHBondContact O-ND2 3.49Å; L232-N235 WeakPolarHBondContact O-CB 3.21Å; L232-N235 PolarHBondContact O-N 3.12Å; L232-N235 VanDerWaalsContact O-N 3.13Å; E233-N235 VanDerWaalsContact C-N 3.35Å; E233-N235 PolarHBondContact O-N 3.22Å; N235-K239 WeakPolarHBondContact O-CD 3.1Å; N235-K239 PolarHBondContact O-N 3.15Å
236	V	98.1	Very high	96.5	Very high	4 Å²	4	55 Å²	55	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-68.1	-50.5	175.4	169.9	0	0	0	0	110.7	L232 E233 I234 E238 K239 I240 L311 F353 A356 F358	L232-V236 PolarHBondContact O-N 3.45Å; E233-V236 PolarHBondContact O-N 2.85Å; I234-V236 VanDerWaalsContact C-N 3.27Å; I234-V236 PolarHBondContact O-N 3.43Å; V236-E238 VanDerWaalsContact C-N 3.32Å; V236-E238 PolarHBondContact O-N 3.02Å; V236-K239 PolarHBondContact O-N 3.17Å; V236-I240 HydrophobicContact CG1-CD1 3.78Å; V236-I240 HydrophobicContact CG1-CG1 4.4Å; V236-I240 PolarHBondContact O-N 3.23Å; V236-L311 HydrophobicContact CG1-CD1 4.21Å; V236-L311 HydrophobicContact CG1-CD2 3.56Å; V236-L311 HydrophobicContact CG2-CD1 4.2Å; V236-F353 HydrophobicContact CG1-CB 3.91Å; V236-F353 HydrophobicContact CG1-CD1 4.11Å; V236-F353 HydrophobicContact CG1-CG 4.25Å; V236-A356 HydrophobicContact CG1-CB 4.19Å; V236-A356 HydrophobicContact CG2-CB 4.49Å; V236-F358 HydrophobicContact CG2-CE2 3.8Å; V236-F358 HydrophobicContact CG2-CZ 4.39Å
237	L	98.4	Very high	96.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.8	-40.2	179	-71.1	165.8	0	0	0	112.4	E233 I234 K239 I240 N241 V252 M254 I266 F268 F353	E233-L237 HydrophobicContact CG-CD1 3.9Å; E233-L237 HydrophobicContact CG-CG 4.49Å; E233-L237 WeakPolarHBondContact O-CB 3.22Å; E233-L237 VanDerWaalsContact O-CG 3.31Å; E233-L237 WeakPolarHBondContact O-CG 3.46Å; E233-L237 PolarHBondContact O-N 3.1Å; I234-L237 PolarHBondContact O-N 3.09Å; L237-K239 VanDerWaalsContact C-N 3.29Å; L237-K239 PolarHBondContact O-N 3.4Å; L237-I240 PolarHBondContact O-N 3.18Å; L237-N241 WeakPolarHBondContact O-CB 3.48Å; L237-N241 PolarHBondContact O-N 3.41Å; L237-N241 PolarHBondContact O-OD1 3.26Å; L237-V252 HydrophobicContact CD2-CG1 4.3Å; L237-M254 HydrophobicContact CB-CB 4.06Å; L237-M254 HydrophobicContact CB-CE 4.02Å; L237-M254 HydrophobicContact CB-SD 3.88Å; L237-M254 HydrophobicContact CD1-CB 4.28Å; L237-M254 HydrophobicContact CD1-CG 4.45Å; L237-M254 HydrophobicContact CD1-SD 3.94Å; L237-M254 HydrophobicContact CD2-CB 4.5Å; L237-I266 HydrophobicContact CD1-CG2 4.3Å; L237-F268 HydrophobicContact CD1-CE1 3.55Å; L237-F268 HydrophobicContact CD1-CZ 3.72Å; L237-F268 HydrophobicContact CD2-CE1 4Å; L237-F268 HydrophobicContact CG-CE1 4.44Å; L237-F353 HydrophobicContact CD2-CD2 3.72Å; L237-F353 HydrophobicContact CD2-CE2 4.41Å; L237-F353 HydrophobicContact CD2-CG 4.36Å
238	E	98	Very high	96.6	Very high	75 Å²	75	60.3 Å²	60.3	35%	0.35	29%	0.292	S	S	.	.	H	α-helix	trans	-59.7	-37.5	174	-74.6	-172.8	168.6	0	0	112.1	I234 V236 E242 M254 W257	I234-E238 HydrophobicContact CG2-CG 4.33Å; I234-E238 WeakPolarHBondContact O-CG 3.48Å; I234-E238 PolarHBondContact O-N 3.16Å; V236-E238 VanDerWaalsContact C-N 3.32Å; V236-E238 PolarHBondContact O-N 3.02Å; E238-E242 VanDerWaalsContact O-CB 3.31Å; E238-E242 WeakPolarHBondContact O-CB 3.23Å; E238-E242 PolarHBondContact O-N 2.78Å; E238-M254 HydrophobicContact CG-CE 3.66Å; E238-W257 PolarHBondContact OE1-NE1 3.39Å
239	K	97.8	Very high	96.8	Very high	83 Å²	83	57.7 Å²	57.7	36%	0.361	28%	0.279	S	S	.	.	H	α-helix	trans	-74.7	-39	177.3	-87.9	78.6	-169.8	171.5	0	111.7	N235 V236 L237 E242 K243 F358	N235-K239 WeakPolarHBondContact O-CD 3.1Å; N235-K239 PolarHBondContact O-N 3.15Å; V236-K239 PolarHBondContact O-N 3.17Å; L237-K239 VanDerWaalsContact C-N 3.29Å; L237-K239 PolarHBondContact O-N 3.4Å; K239-E242 PolarHBondContact O-N 2.83Å; K239-K243 VanDerWaalsContact O-CB 3.31Å; K239-K243 WeakPolarHBondContact O-CB 3.4Å; K239-K243 WeakPolarHBondContact O-CG 3.48Å; K239-K243 PolarHBondContact O-N 3.03Å; K239-F358 HydrophobicContact CB-CZ 4.38Å; K239-F358 HydrophobicContact CG-CZ 4.45Å
240	I	98.2	Very high	97	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-58	-52	175.5	-72.2	172.3	0	0	0	109.5	V236 L237 E242 K243 D244 C251 F305 L306 L311 F353	V236-I240 HydrophobicContact CG1-CD1 3.78Å; V236-I240 HydrophobicContact CG1-CG1 4.4Å; V236-I240 PolarHBondContact O-N 3.23Å; L237-I240 PolarHBondContact O-N 3.18Å; I240-E242 PolarHBondContact O-N 3.04Å; I240-K243 PolarHBondContact O-N 3.5Å; I240-K243 VanDerWaalsContact O-N 3.16Å; I240-D244 PolarHBondContact O-N 3.41Å; I240-C251 HydrophobicContact CG2-CB 3.7Å; I240-F305 HydrophobicContact CG2-CE1 4.28Å; I240-L306 HydrophobicContact CD1-CD2 3.96Å; I240-L306 HydrophobicContact CG1-CD2 4.32Å; I240-L311 HydrophobicContact CD1-CD2 4.19Å; I240-L311 HydrophobicContact CG1-CD2 4.4Å; I240-F353 HydrophobicContact CD1-CD1 3.55Å; I240-F353 HydrophobicContact CD1-CD2 4.2Å; I240-F353 HydrophobicContact CD1-CE1 3.44Å; I240-F353 VanDerWaalsContact CD1-CE1 3.44Å; I240-F353 HydrophobicContact CD1-CE2 4.1Å; I240-F353 HydrophobicContact CD1-CG 3.95Å; I240-F353 HydrophobicContact CD1-CZ 3.74Å
241	N	98	Very high	97.1	Very high	29 Å²	29	57.4 Å²	57.4	16%	0.155	27%	0.273	C	S	.	.	H	α-helix	trans	-64.5	-35.8	177.7	-71.5	17.4	0	0	0	113.5	L237 K243 D244 P245 Q253 M254	L237-N241 WeakPolarHBondContact O-CB 3.48Å; L237-N241 PolarHBondContact O-N 3.41Å; L237-N241 PolarHBondContact O-OD1 3.26Å; N241-K243 VanDerWaalsContact C-N 3.28Å; N241-K243 PolarHBondContact O-N 2.81Å; N241-D244 CarbonylContact O-C 3.46Å; N241-P245 WeakPolarHBondContact O-CA 3.39Å; N241-Q253 PolarHBondContact OD1-OE1 3.3Å; N241-M254 PolarHBondContact ND2-O 3.15Å
242	E	97.9	Very high	97.2	Very high	147 Å²	147	53.4 Å²	53.4	69%	0.687	26%	0.259	S	S	*	.	H	α-helix	trans	-64.5	-34.4	174.7	-178	179.7	-173.8	0	0	111.8	E238 K239 I240	E238-E242 VanDerWaalsContact O-CB 3.31Å; E238-E242 WeakPolarHBondContact O-CB 3.23Å; E238-E242 PolarHBondContact O-N 2.78Å; K239-E242 PolarHBondContact O-N 2.83Å; I240-E242 PolarHBondContact O-N 3.04Å
243	K	97.9	Very high	97.4	Very high	121 Å²	121	49.7 Å²	49.7	53%	0.526	24%	0.239	S	C	.	.	H	α-helix	trans	-86.6	-27.3	-177.7	-69.6	-71.6	-172.4	166.3	0	113.9	K239 I240 N241 F305 N309	K239-K243 VanDerWaalsContact O-CB 3.31Å; K239-K243 WeakPolarHBondContact O-CB 3.4Å; K239-K243 WeakPolarHBondContact O-CG 3.48Å; K239-K243 PolarHBondContact O-N 3.03Å; I240-K243 PolarHBondContact O-N 3.5Å; I240-K243 VanDerWaalsContact O-N 3.16Å; N241-K243 VanDerWaalsContact C-N 3.28Å; N241-K243 PolarHBondContact O-N 2.81Å; K243-F305 HydrophobicContact CB-CE2 3.94Å; K243-F305 HydrophobicContact CB-CZ 3.67Å; K243-N309 VanDerWaalsContact CD-OD1 3.32Å; K243-N309 WeakPolarHBondContact CD-OD1 3.38Å; K243-N309 VanDerWaalsContact CE-OD1 3.3Å; K243-N309 WeakPolarHBondContact CE-OD1 3.31Å
244	D	97.6	Very high	97.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.			trans	-137.9	70.2	179.3	-171.6	34.6	0	0	0	112.1	I240 N241 D246 N247 R248 F249 Q253 F305	I240-D244 PolarHBondContact O-N 3.41Å; N241-D244 CarbonylContact O-C 3.46Å; D244-D246 PolarHBondContact O-N 3.04Å; D244-N247 PolarHBondContact O-N 3.32Å; D244-N247 VanDerWaalsContact OD2-C 3.22Å; D244-N247 VanDerWaalsContact OD2-CA 3.24Å; D244-N247 WeakPolarHBondContact OD2-CA 3.44Å; D244-R248 VanDerWaalsContact CG-N 3.29Å; D244-R248 PolarHBondContact OD1-N 3.23Å; D244-R248 IonicContact OD1-NE 3.65Å; D244-R248 PolarHBondContact OD2-N 3.3Å; D244-F249 HydrophobicContact CB-CD2 3.92Å; D244-F249 PolarHBondContact OD2-N 2.84Å; D244-Q253 PolarHBondContact O-NE2 3.27Å; D244-F305 HydrophobicContact CB-CE1 4.42Å; D244-F305 HydrophobicContact CB-CE2 4Å; D244-F305 HydrophobicContact CB-CZ 3.68Å
245	P	95.4	Very high	97.3	Very high	88 Å²	88	55.8 Å²	55.8	57%	0.571	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.1	-179.3	28.7	-36.8	0	0	0	113.5	N241	N241-P245 WeakPolarHBondContact O-CA 3.39Å
246	D	94.6	Very high	97.3	Very high	117 Å²	117	54.2 Å²	54.2	63%	0.626	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	4.3	-179.3	-57.5	-50.1	0	0	0	112.9	D244 R248	D244-D246 PolarHBondContact O-N 3.04Å; D246-R248 VanDerWaalsContact C-N 3.32Å; D246-R248 HydrophobicContact CB-CG 3.97Å; D246-R248 PolarHBondContact O-N 2.92Å
247	N	94.1	Very high	97.3	Very high	23 Å²	23	59 Å²	59	12%	0.123	27%	0.272	C	S	.	.			trans	50.9	41.8	-178.4	-160.4	4.8	0	0	0	114.7	D244 C251 Q253 E269 R349	D244-N247 PolarHBondContact O-N 3.32Å; D244-N247 VanDerWaalsContact OD2-C 3.22Å; D244-N247 VanDerWaalsContact OD2-CA 3.24Å; D244-N247 WeakPolarHBondContact OD2-CA 3.44Å; N247-C251 PolarHBondContact OD1-O 2.84Å; N247-Q253 HydrophobicContact CB-CG 3.81Å; N247-Q253 VanDerWaalsContact ND2-CG 3.26Å; N247-Q253 WeakPolarHBondContact ND2-CG 3.3Å; N247-E269 PolarHBondContact ND2-OE1 3.03Å; N247-R349 PolarHBondContact ND2-NE 3.41Å; N247-R349 VanDerWaalsContact ND2-NE 3.14Å; N247-R349 PolarHBondContact ND2-NH2 2.68Å
248	R	96.4	Very high	97.2	Very high	152 Å²	152	60 Å²	60	57%	0.574	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-20.8	179.5	-61.8	178.5	-60.7	171.3	0.9	113.2	D244 D246	D244-R248 VanDerWaalsContact CG-N 3.29Å; D244-R248 PolarHBondContact OD1-N 3.23Å; D244-R248 IonicContact OD1-NE 3.65Å; D244-R248 PolarHBondContact OD2-N 3.3Å; D246-R248 VanDerWaalsContact C-N 3.32Å; D246-R248 HydrophobicContact CB-CG 3.97Å; D246-R248 PolarHBondContact O-N 2.92Å
249	F	97.7	Very high	97.1	Very high	57 Å²	57	60.6 Å²	60.6	25%	0.25	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	18.6	179.4	-56.9	-71.8	0	0	0	112.9	D244 C251 L301 A302 F305	D244-F249 HydrophobicContact CB-CD2 3.92Å; D244-F249 PolarHBondContact OD2-N 2.84Å; F249-C251 PolarHBondContact O-N 3.27Å; F249-C251 PolarHBondContact O-SG 2.78Å; F249-L301 HydrophobicContact CD1-CD1 4.02Å; F249-L301 HydrophobicContact CD1-CG 4.3Å; F249-L301 HydrophobicContact CE1-CD1 4.23Å; F249-A302 VanDerWaalsContact O-CA 3.23Å; F249-A302 WeakPolarHBondContact O-CA 3.3Å; F249-A302 WeakPolarHBondContact O-CB 3.38Å; F249-F305 HydrophobicContact CB-CB 3.62Å; F249-F305 HydrophobicContact CB-CD1 3.75Å; F249-F305 HydrophobicContact CB-CD2 3.89Å; F249-F305 HydrophobicContact CB-CE1 4.36Å; F249-F305 HydrophobicContact CB-CE2 4.47Å; F249-F305 HydrophobicContact CB-CG 3.48Å; F249-F305 VanDerWaalsContact CB-CG 3.48Å; F249-F305 HydrophobicContact CD1-CB 3.77Å; F249-F305 HydrophobicContact CD1-CD2 4.14Å; F249-F305 HydrophobicContact CD1-CG 4.16Å; F249-F305 HydrophobicContact CD2-CB 4.31Å; F249-F305 AromaticContact CD2-CD2 3.23Å; F249-F305 HydrophobicContact CD2-CD2 3.23Å; F249-F305 AromaticContact CD2-CE2 3.52Å; F249-F305 HydrophobicContact CD2-CE2 3.52Å; F249-F305 AromaticContact CD2-CG 3.79Å; F249-F305 HydrophobicContact CD2-CG 3.79Å; F249-F305 HydrophobicContact CD2-CZ 4.29Å; F249-F305 AromaticContact CE2-CD2 3.7Å; F249-F305 HydrophobicContact CE2-CD2 3.7Å; F249-F305 AromaticContact CE2-CE2 3.99Å; F249-F305 HydrophobicContact CE2-CE2 3.99Å; F249-F305 HydrophobicContact CG-CB 3.64Å; F249-F305 HydrophobicContact CG-CD1 4.29Å; F249-F305 AromaticContact CG-CD2 3.49Å; F249-F305 HydrophobicContact CG-CD2 3.49Å; F249-F305 VanDerWaalsContact CG-CD2 3.49Å; F249-F305 HydrophobicContact CG-CE2 4.16Å; F249-F305 AromaticContact CG-CG 3.55Å; F249-F305 HydrophobicContact CG-CG 3.55Å; F249-F305 HydrophobicContact CZ-CD2 4.33Å
250	L	98.3	Very high	97.1	Very high	24 Å²	24	58.4 Å²	58.4	13%	0.126	27%	0.272	C	S	.	.			trans	59.5	29.4	157.3	-38.5	176	0	0	0	114.8	Q298 L301 A302 R349 V350	L250-Q298 HydrophobicContact CD1-CB 3.55Å; L250-Q298 HydrophobicContact CD1-CG 3.58Å; L250-L301 HydrophobicContact CD1-CD2 4.24Å; L250-A302 HydrophobicContact CB-CB 4.31Å; L250-R349 VanDerWaalsContact O-CA 3.24Å; L250-R349 WeakPolarHBondContact O-CA 3.49Å; L250-R349 WeakPolarHBondContact O-CD 3.11Å; L250-V350 PolarHBondContact O-N 3.19Å
251	C	98.5	Very high	96.9	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-94.1	145.9	170.7	-62.9	0	0	0	0	109.2	I240 N247 F249 Q253 F353	I240-C251 HydrophobicContact CG2-CB 3.7Å; N247-C251 PolarHBondContact OD1-O 2.84Å; F249-C251 PolarHBondContact O-N 3.27Å; F249-C251 PolarHBondContact O-SG 2.78Å; C251-Q253 PolarHBondContact O-N 2.93Å; C251-F353 HydrophobicContact CB-CE2 4.27Å; C251-F353 HydrophobicContact CB-CZ 3.88Å
252	V	98.1	Very high	96.7	Very high	8 Å²	8	63.3 Å²	63.3	5%	0.048	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-58.2	127.5	-179	71.2	0	0	0	0	111.9	L237 M254 F268 E269 L271 V350 V351 F353	L237-V252 HydrophobicContact CD2-CG1 4.3Å; V252-M254 PolarHBondContact O-N 2.71Å; V252-F268 HydrophobicContact CG1-CD1 3.9Å; V252-F268 HydrophobicContact CG1-CE1 3.96Å; V252-F268 HydrophobicContact CG2-CB 4.09Å; V252-F268 HydrophobicContact CG2-CD1 3.86Å; V252-F268 HydrophobicContact CG2-CG 4.31Å; V252-E269 WeakPolarHBondContact CA-OE1 3.39Å; V252-E269 HydrophobicContact CG2-CG 3.81Å; V252-L271 HydrophobicContact CG2-CD1 3.95Å; V252-V350 PolarHBondContact N-O 3.07Å; V252-V351 HydrophobicContact CB-CB 4.4Å; V252-V351 HydrophobicContact CB-CG1 4.05Å; V252-V351 HydrophobicContact CG1-CB 4.23Å; V252-V351 HydrophobicContact CG1-CG1 4.42Å; V252-V351 HydrophobicContact CG2-CG1 4.48Å; V252-F353 HydrophobicContact CG1-CD2 4.34Å; V252-F353 HydrophobicContact CG1-CE2 4.1Å
253	Q	97.4	Very high	96.6	Very high	23 Å²	23	56.3 Å²	56.3	11%	0.107	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-80.2	119.6	179.2	-68.4	-71.1	-44.2	0	0	110.9	N241 D244 N247 C251 Y255 F268 E269	N241-Q253 PolarHBondContact OD1-OE1 3.3Å; D244-Q253 PolarHBondContact O-NE2 3.27Å; N247-Q253 HydrophobicContact CB-CG 3.81Å; N247-Q253 VanDerWaalsContact ND2-CG 3.26Å; N247-Q253 WeakPolarHBondContact ND2-CG 3.3Å; C251-Q253 PolarHBondContact O-N 2.93Å; Q253-Y255 HydrophobicContact CB-CE1 4.18Å; Q253-F268 VanDerWaalsContact O-CA 3.29Å; Q253-F268 WeakPolarHBondContact O-CA 3.24Å; Q253-E269 HydrophobicContact CB-CG 4.39Å; Q253-E269 PolarHBondContact N-OE1 2.89Å; Q253-E269 PolarHBondContact O-N 2.96Å
254	M	97.9	Very high	96.6	Very high	14 Å²	14	50.9 Å²	50.9	7%	0.069	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.4	167.8	-177	-175.3	66.6	0	0	110.1	I234 L237 E238 N241 V252 W257 I266 S267 F268	I234-M254 HydrophobicContact CG1-SD 4.49Å; L237-M254 HydrophobicContact CB-CB 4.06Å; L237-M254 HydrophobicContact CB-CE 4.02Å; L237-M254 HydrophobicContact CB-SD 3.88Å; L237-M254 HydrophobicContact CD1-CB 4.28Å; L237-M254 HydrophobicContact CD1-CG 4.45Å; L237-M254 HydrophobicContact CD1-SD 3.94Å; L237-M254 HydrophobicContact CD2-CB 4.5Å; E238-M254 HydrophobicContact CG-CE 3.66Å; N241-M254 PolarHBondContact ND2-O 3.15Å; V252-M254 PolarHBondContact O-N 2.71Å; M254-W257 HydrophobicContact SD-CB 4.38Å; M254-I266 HydrophobicContact CG-CG2 3.66Å; M254-I266 HydrophobicContact SD-CG2 3.6Å; M254-S267 CarbonylContact C-O 3.4Å; M254-S267 WeakPolarHBondContact CA-O 3.24Å; M254-F268 HydrophobicContact CB-CD1 4.24Å; M254-F268 HydrophobicContact CB-CE1 4.21Å
255	Y	96.3	Very high	96.7	Very high	127 Å²	127	50.9 Å²	50.9	50%	0.498	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-36.6	-179	-65.4	-30.4	0	0	0	113.9	I215 Q253 S267 E269	I215-Y255 HydrophobicContact CG2-CD2 3.91Å; I215-Y255 HydrophobicContact CG2-CE2 3.94Å; Q253-Y255 HydrophobicContact CB-CE1 4.18Å; Y255-S267 PolarHBondContact N-O 2.62Å; Y255-E269 HydrophobicContact CE1-CB 4.39Å; Y255-E269 HydrophobicContact CE2-CB 4.16Å; Y255-E269 WeakPolarHBondContact OH-CB 3.48Å
256	D	96.1	Very high	96.8	Very high	41 Å²	41	46.7 Å²	46.7	22%	0.219	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	157.6	-177.1	-141.7	-18.4	0	0	0	109.7	R186 Y187 S267	R186-D256 IonicContact CZ-OD2 3.61Å; R186-D256 IonicContact NH1-OD2 2.84Å; R186-D256 PolarHBondContact NH1-OD2 3.48Å; R186-D256 IonicContact NH2-OD2 3.6Å; Y187-D256 WeakPolarHBondContact OH-CB 3.26Å; D256-S267 WeakPolarHBondContact CA-OG 3.38Å; D256-S267 WeakPolarHBondContact CB-OG 3.47Å; D256-S267 PolarHBondContact N-OG 3.14Å; D256-S267 PolarHBondContact O-N 3.34Å; D256-S267 PolarHBondContact O-OG 3.25Å
257	W	97.9	Very high	96.9	Very high	103 Å²	103	41.1 Å²	41.1	39%	0.39	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.8	171	70.7	-98.2	0	0	0	111.1	I234 E238 M254 M264 C265	I234-W257 HydrophobicContact CD1-CB 4.07Å; I234-W257 HydrophobicContact CD1-CD2 3.99Å; I234-W257 HydrophobicContact CD1-CE3 4.09Å; I234-W257 HydrophobicContact CD1-CG 3.99Å; I234-W257 HydrophobicContact CG1-CB 4.3Å; I234-W257 HydrophobicContact CG1-CG 4.25Å; I234-W257 VanDerWaalsContact CG2-CD1 3.46Å; I234-W257 HydrophobicContact CG2-CD2 4.05Å; I234-W257 HydrophobicContact CG2-CG 3.88Å; I234-W257 HydrophobicContact CG2-CZ2 4.48Å; E238-W257 PolarHBondContact OE1-NE1 3.39Å; M254-W257 HydrophobicContact SD-CB 4.38Å; W257-M264 HydrophobicContact CE3-CE 3.8Å; W257-M264 HydrophobicContact CZ3-CE 3.83Å; W257-C265 CarbonylContact C-O 3.18Å; W257-C265 VanDerWaalsContact CA-O 3.23Å; W257-C265 WeakPolarHBondContact CA-O 3.29Å
258	F	97.4	Very high	97.1	Very high	22 Å²	22	40.8 Å²	40.8	10%	0.096	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	160.9	-178.5	56	-80.3	0	0	0	112.1	Q184 Y187 L217 Y260 C265	Q184-F258 HydrophobicContact CB-CD2 4.25Å; Q184-F258 HydrophobicContact CB-CE2 3.92Å; Q184-F258 HydrophobicContact CB-CZ 4.33Å; Q184-F258 HydrophobicContact CG-CD2 4.3Å; Q184-F258 HydrophobicContact CG-CE2 4.46Å; Y187-F258 AromaticContact CD2-CE1 3.76Å; Y187-F258 HydrophobicContact CD2-CE1 3.76Å; Y187-F258 AromaticContact CD2-CZ 3.69Å; Y187-F258 HydrophobicContact CD2-CZ 3.69Å; Y187-F258 HydrophobicContact CE2-CD1 4.13Å; Y187-F258 AromaticContact CE2-CE1 3.32Å; Y187-F258 HydrophobicContact CE2-CE1 3.32Å; Y187-F258 AromaticContact CE2-CZ 3.76Å; Y187-F258 HydrophobicContact CE2-CZ 3.76Å; L217-F258 HydrophobicContact CD1-CE1 3.95Å; L217-F258 HydrophobicContact CD1-CZ 4.08Å; L217-F258 HydrophobicContact CD2-CZ 4.4Å; F258-Y260 HydrophobicContact CE2-CD2 4.4Å; F258-Y260 HydrophobicContact CE2-CG 4.37Å; F258-C265 HydrophobicContact CD1-CB 4.04Å; F258-C265 HydrophobicContact CD2-CB 3.86Å; F258-C265 HydrophobicContact CE1-CB 3.73Å; F258-C265 HydrophobicContact CE2-CB 3.56Å; F258-C265 HydrophobicContact CG-CB 4.09Å; F258-C265 HydrophobicContact CZ-CB 3.49Å; F258-C265 VanDerWaalsContact CZ-CB 3.49Å; F258-C265 PolarHBondContact N-O 3.1Å; F258-C265 PolarHBondContact O-N 2.78Å
259	D	96.7	Very high	97.1	Very high	87 Å²	87	34.6 Å²	34.6	47%	0.465	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.7	166	-174.7	-42.9	0	0	0	108	G262 H263	D259-G262 VanDerWaalsContact OD1-CA 3.31Å; D259-G262 WeakPolarHBondContact OD1-CA 3.2Å; D259-G262 PolarHBondContact OD1-N 2.79Å; D259-H263 WeakPolarHBondContact CA-O 3.5Å
260	Y	96.2	Very high	97.1	Very high	37 Å²	37	34.2 Å²	34.2	15%	0.145	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	100.5	175.9	-171.7	-102.1	0	0	0	109.4	V167 L175 L183 F258 G262 H263	V167-Y260 HydrophobicContact CG1-CE1 4.01Å; V167-Y260 HydrophobicContact CG2-CE1 4.33Å; L175-Y260 HydrophobicContact CD2-CD1 3.8Å; L175-Y260 HydrophobicContact CD2-CE1 3.99Å; L183-Y260 HydrophobicContact CB-CE2 4.43Å; L183-Y260 HydrophobicContact CD2-CD1 4.08Å; L183-Y260 HydrophobicContact CD2-CE1 4.25Å; L183-Y260 HydrophobicContact CD2-CG 4.48Å; L183-Y260 HydrophobicContact CG-CD1 4.23Å; L183-Y260 HydrophobicContact CG-CE1 3.94Å; F258-Y260 HydrophobicContact CE2-CD2 4.4Å; F258-Y260 HydrophobicContact CE2-CG 4.37Å; Y260-G262 PolarHBondContact O-N 2.92Å; Y260-H263 PolarHBondContact N-O 2.96Å; Y260-H263 WeakPolarHBondContact O-CB 3.35Å; Y260-H263 PolarHBondContact O-CD2 2.91Å; Y260-H263 PolarHBondContact O-N 3.42Å
261	H	94.2	Very high	97	Very high	125 Å²	125	34.1 Å²	34.1	58%	0.579	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	28	-179.8	-64.7	-93.2	0	0	0	114.8	V167	V167-H261 HydrophobicContact CG1-CB 3.99Å
262	G	93.9	Very high	97	Very high	14 Å²	14	35.6 Å²	35.6	14%	0.144	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.2	-12.9	-175.7	0	0	0	0	0	113.7	N222 K227 D259 Y260	N222-G262 PolarHBondContact OD1-O 3.48Å; K227-G262 WeakPolarHBondContact CD-O 3.43Å; D259-G262 VanDerWaalsContact OD1-CA 3.31Å; D259-G262 WeakPolarHBondContact OD1-CA 3.2Å; D259-G262 PolarHBondContact OD1-N 2.79Å; Y260-G262 PolarHBondContact O-N 2.92Å
263	H	97.1	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.9	171	-61.2	-82.9	0	0	0	110.4	D169 G173 L175 I219 I220 D259 Y260 C265	D169-H263 IonicContact OD1-NE2 2.68Å; D169-H263 PolarHBondContact OD1-NE2 3.4Å; D169-H263 IonicContact OD2-CE1 2.69Å; D169-H263 IonicContact OD2-NE2 3.08Å; G173-H263 PolarHBondContact O-CE1 3.07Å; L175-H263 PolarHBondContact N-CE1 2.96Å; I219-H263 HydrophobicContact CG2-CB 4.02Å; I220-H263 PolarHBondContact O-ND1 2.85Å; D259-H263 WeakPolarHBondContact CA-O 3.5Å; Y260-H263 PolarHBondContact N-O 2.96Å; Y260-H263 WeakPolarHBondContact O-CB 3.35Å; Y260-H263 PolarHBondContact O-CD2 2.91Å; Y260-H263 PolarHBondContact O-N 3.42Å; H263-C265 PolarHBondContact O-N 2.82Å
264	M	97.6	Very high	96.9	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.03	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121	166	-64.6	-63.8	-59	0	0	108.3	I220 K227 A230 R231 I234 W257	I220-M264 HydrophobicContact CB-CB 4.1Å; I220-M264 WeakPolarHBondContact CB-O 3.36Å; I220-M264 HydrophobicContact CG1-CB 4.11Å; I220-M264 VanDerWaalsContact CG1-O 3.25Å; I220-M264 WeakPolarHBondContact CG1-O 3.29Å; I220-M264 PolarHBondContact N-O 3.2Å; K227-M264 HydrophobicContact CB-CG 3.98Å; K227-M264 HydrophobicContact CG-CG 4.07Å; A230-M264 HydrophobicContact CB-CB 4.1Å; A230-M264 HydrophobicContact CB-CG 4.4Å; R231-M264 HydrophobicContact CG-CE 4.18Å; I234-M264 HydrophobicContact CD1-CE 3.45Å; I234-M264 VanDerWaalsContact CD1-CE 3.45Å; W257-M264 HydrophobicContact CE3-CE 3.8Å; W257-M264 HydrophobicContact CZ3-CE 3.83Å
265	C	98.1	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.1	179	-68.4	0	0	0	0	109.7	L217 K218 W257 F258 H263	L217-C265 HydrophobicContact CD1-CB 4.3Å; K218-C265 CarbonylContact O-C 3.55Å; K218-C265 WeakPolarHBondContact O-CA 3.38Å; W257-C265 CarbonylContact C-O 3.18Å; W257-C265 VanDerWaalsContact CA-O 3.23Å; W257-C265 WeakPolarHBondContact CA-O 3.29Å; F258-C265 HydrophobicContact CD1-CB 4.04Å; F258-C265 HydrophobicContact CD2-CB 3.86Å; F258-C265 HydrophobicContact CE1-CB 3.73Å; F258-C265 HydrophobicContact CE2-CB 3.56Å; F258-C265 HydrophobicContact CG-CB 4.09Å; F258-C265 HydrophobicContact CZ-CB 3.49Å; F258-C265 VanDerWaalsContact CZ-CB 3.49Å; F258-C265 PolarHBondContact N-O 3.1Å; F258-C265 PolarHBondContact O-N 2.78Å; H263-C265 PolarHBondContact O-N 2.82Å
266	I	98.2	Very high	97.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.7	179.7	-47.2	172.2	0	0	0	108.6	L217 K218 I234 L237 M254 F268	L217-I266 CarbonylContact C-O 3.47Å; L217-I266 WeakPolarHBondContact CA-O 3.26Å; K218-I266 HydrophobicContact CB-CB 4.4Å; K218-I266 PolarHBondContact N-O 3.49Å; K218-I266 PolarHBondContact O-N 2.78Å; I234-I266 HydrophobicContact CD1-CD1 4.03Å; I234-I266 HydrophobicContact CD1-CG1 3.97Å; I234-I266 HydrophobicContact CG1-CD1 3.62Å; I234-I266 HydrophobicContact CG1-CG1 3.87Å; L237-I266 HydrophobicContact CD1-CG2 4.3Å; M254-I266 HydrophobicContact CG-CG2 3.66Å; M254-I266 HydrophobicContact SD-CG2 3.6Å; I266-F268 HydrophobicContact CB-CE2 3.72Å; I266-F268 HydrophobicContact CB-CZ 4.03Å; I266-F268 HydrophobicContact CG2-CD2 4.23Å; I266-F268 HydrophobicContact CG2-CE1 4.04Å; I266-F268 HydrophobicContact CG2-CE2 3.48Å; I266-F268 VanDerWaalsContact CG2-CE2 3.48Å; I266-F268 HydrophobicContact CG2-CZ 3.38Å
267	S	97.7	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.5	179.1	62	0	0	0	0	111.5	Y187 A216 M254 Y255 D256	Y187-S267 PolarHBondContact OH-OG 2.81Å; A216-S267 CarbonylContact O-C 3.56Å; A216-S267 WeakPolarHBondContact O-CA 3.43Å; M254-S267 CarbonylContact C-O 3.4Å; M254-S267 WeakPolarHBondContact CA-O 3.24Å; Y255-S267 PolarHBondContact N-O 2.62Å; D256-S267 WeakPolarHBondContact CA-OG 3.38Å; D256-S267 WeakPolarHBondContact CB-OG 3.47Å; D256-S267 PolarHBondContact N-OG 3.14Å; D256-S267 PolarHBondContact O-N 3.34Å; D256-S267 PolarHBondContact O-OG 3.25Å
268	F	98	Very high	97.1	Very high	16 Å²	16	28.3 Å²	28.3	7%	0.07	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	164.3	-173.8	-61.9	-85.9	0	0	0	112	I215 A216 K218 L237 V252 Q253 M254 I266 L270	I215-F268 WeakPolarHBondContact CB-O 3.04Å; A216-F268 HydrophobicContact CB-CB 4.34Å; A216-F268 PolarHBondContact N-O 2.82Å; A216-F268 VanDerWaalsContact N-O 3.1Å; A216-F268 PolarHBondContact O-N 3.4Å; K218-F268 HydrophobicContact CB-CD2 4.48Å; K218-F268 HydrophobicContact CB-CE2 3.85Å; K218-F268 HydrophobicContact CD-CE2 4.26Å; L237-F268 HydrophobicContact CD1-CE1 3.55Å; L237-F268 HydrophobicContact CD1-CZ 3.72Å; L237-F268 HydrophobicContact CD2-CE1 4Å; L237-F268 HydrophobicContact CG-CE1 4.44Å; V252-F268 HydrophobicContact CG1-CD1 3.9Å; V252-F268 HydrophobicContact CG1-CE1 3.96Å; V252-F268 HydrophobicContact CG2-CB 4.09Å; V252-F268 HydrophobicContact CG2-CD1 3.86Å; V252-F268 HydrophobicContact CG2-CG 4.31Å; Q253-F268 VanDerWaalsContact O-CA 3.29Å; Q253-F268 WeakPolarHBondContact O-CA 3.24Å; M254-F268 HydrophobicContact CB-CD1 4.24Å; M254-F268 HydrophobicContact CB-CE1 4.21Å; I266-F268 HydrophobicContact CB-CE2 3.72Å; I266-F268 HydrophobicContact CB-CZ 4.03Å; I266-F268 HydrophobicContact CG2-CD2 4.23Å; I266-F268 HydrophobicContact CG2-CE1 4.04Å; I266-F268 HydrophobicContact CG2-CE2 3.48Å; I266-F268 VanDerWaalsContact CG2-CE2 3.48Å; I266-F268 HydrophobicContact CG2-CZ 3.38Å; F268-L270 PolarHBondContact O-N 2.77Å
269	E	95.8	Very high	97.1	Very high	23 Å²	23	27.3 Å²	27.3	11%	0.107	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	136.1	159.9	65.1	-176.6	135.9	0	0	110.9	N247 V252 Q253 Y255 L271 R349	N247-E269 PolarHBondContact ND2-OE1 3.03Å; V252-E269 WeakPolarHBondContact CA-OE1 3.39Å; V252-E269 HydrophobicContact CG2-CG 3.81Å; Q253-E269 HydrophobicContact CB-CG 4.39Å; Q253-E269 PolarHBondContact N-OE1 2.89Å; Q253-E269 PolarHBondContact O-N 2.96Å; Y255-E269 HydrophobicContact CE1-CB 4.39Å; Y255-E269 HydrophobicContact CE2-CB 4.16Å; Y255-E269 WeakPolarHBondContact OH-CB 3.48Å; E269-L271 HydrophobicContact CG-CD2 4.1Å; E269-L271 HydrophobicContact CG-CG 4.18Å; E269-L271 PolarHBondContact O-N 2.78Å; E269-R349 IonicContact OE1-NE 3.96Å; E269-R349 IonicContact OE2-NE 3.13Å
270	L	97.3	Very high	97	Very high	49 Å²	49	26.6 Å²	26.6	26%	0.257	14%	0.136	S	C	.	.			trans	-77.7	118.6	174.4	-179.9	64.8	0	0	0	109.1	L193 R203 H214 A216 F268	L193-L270 HydrophobicContact CD1-CD1 3.64Å; R203-L270 HydrophobicContact CG-CD2 4.13Å; H214-L270 HydrophobicContact CB-CD2 3.63Å; A216-L270 HydrophobicContact CB-CD1 4.22Å; F268-L270 PolarHBondContact O-N 2.77Å
271	L	97.7	Very high	97	Very high	22 Å²	22	29 Å²	29	12%	0.115	15%	0.148	C	C	.	.			trans	-104.6	169.9	174.1	-60.5	172.9	0	0	0	110.7	V252 E269 L322 V324 R349 V351	V252-L271 HydrophobicContact CG2-CD1 3.95Å; E269-L271 HydrophobicContact CG-CD2 4.1Å; E269-L271 HydrophobicContact CG-CG 4.18Å; E269-L271 PolarHBondContact O-N 2.78Å; L271-L322 HydrophobicContact CB-CB 4.04Å; L271-L322 HydrophobicContact CB-CD2 3.92Å; L271-L322 HydrophobicContact CD1-CB 3.96Å; L271-L322 HydrophobicContact CD1-CD2 4.24Å; L271-V324 HydrophobicContact CD2-CG2 4.37Å; L271-R349 HydrophobicContact CD1-CB 3.66Å; L271-R349 HydrophobicContact CD1-CG 3.9Å; L271-R349 HydrophobicContact CD2-CB 4.35Å; L271-R349 HydrophobicContact CD2-CG 3.71Å; L271-R349 HydrophobicContact CG-CG 4.48Å; L271-V351 HydrophobicContact CD1-CG1 3.81Å
272	A	97.1	Very high	97	Very high	30 Å²	30	23.3 Å²	23.3	25%	0.248	12%	0.123	C	C	.	.			trans	-92.2	-156.6	178.5	0	0	0	0	0	111.3	F323 S326	A272-F323 HydrophobicContact CB-CB 4.37Å; A272-F323 WeakPolarHBondContact CB-O 3.46Å; A272-F323 PolarHBondContact N-O 3.45Å; A272-S326 WeakPolarHBondContact CB-OG 3.45Å
273	L	96.8	Very high	97	Very high	50 Å²	50	27.5 Å²	27.5	26%	0.262	14%	0.142	S	C	.	.			trans	-55.7	149.6	179.4	-64.9	176	0	0	0	112.6	D277 F278 E281 F323	L273-D277 HydrophobicContact CB-CB 4.39Å; L273-D277 HydrophobicContact CD2-CB 4.24Å; L273-F278 HydrophobicContact CB-CB 4.45Å; L273-F278 HydrophobicContact CD1-CB 4.42Å; L273-F278 HydrophobicContact CD1-CD2 4.32Å; L273-E281 WeakPolarHBondContact CD1-OE1 3.44Å; L273-F323 PolarHBondContact O-N 3.28Å
274	S	98.1	Very high	96.9	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.042	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-65.2	155.9	163.7	78.8	0	0	0	0	110.5	F276 D277 F278 E319 I321	S274-F276 PolarHBondContact O-N 3.25Å; S274-F276 PolarHBondContact OG-N 3.09Å; S274-D277 WeakPolarHBondContact CB-OD2 3.21Å; S274-D277 PolarHBondContact O-N 3.15Å; S274-D277 VanDerWaalsContact O-N 3.16Å; S274-D277 PolarHBondContact OG-N 3.36Å; S274-D277 PolarHBondContact OG-OD2 2.93Å; S274-F278 PolarHBondContact O-N 2.73Å; S274-E319 WeakPolarHBondContact CB-O 3.34Å; S274-I321 CarbonylContact C-O 3.52Å; S274-I321 WeakPolarHBondContact CA-O 3.31Å
275	T	98.6	Very high	96.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-25.6	174.1	60.3	0	0	0	0	111.9	L279 Y287 M295 P318 I321 F323 V348 Y399	T275-L279 WeakPolarHBondContact O-CB 3.26Å; T275-L279 PolarHBondContact O-N 2.64Å; T275-Y287 PolarHBondContact O-OH 2.79Å; T275-M295 HydrophobicContact CG2-SD 4.17Å; T275-P318 PolarHBondContact N-O 3.31Å; T275-P318 WeakPolarHBondContact OG1-CA 3.5Å; T275-P318 PolarHBondContact OG1-O 3.48Å; T275-I321 HydrophobicContact CG2-CB 4.25Å; T275-I321 HydrophobicContact CG2-CG2 3.83Å; T275-I321 WeakPolarHBondContact CG2-O 3.45Å; T275-I321 PolarHBondContact N-O 2.93Å; T275-I321 PolarHBondContact OG1-O 3.36Å; T275-F323 HydrophobicContact CG2-CD2 4.33Å; T275-F323 HydrophobicContact CG2-CE1 4.32Å; T275-F323 HydrophobicContact CG2-CE2 3.83Å; T275-F323 HydrophobicContact CG2-CZ 3.82Å; T275-V348 HydrophobicContact CG2-CG1 4.25Å; T275-Y399 HydrophobicContact CG2-CE1 4.37Å; T275-Y399 WeakPolarHBondContact OG1-CE1 3.43Å; T275-Y399 PolarHBondContact OG1-OH 3.02Å
276	F	97.9	Very high	96.6	Very high	36 Å²	36	31.5 Å²	31.5	16%	0.158	16%	0.163	C	C	.	.	H	α-helix	trans	-67.8	-50	169	-174.7	-100.3	0	0	0	112.5	Y84 S274 F278 L279 K280 Y284 P318 E319	Y84-F276 HydrophobicContact CE1-CE2 4.43Å; S274-F276 PolarHBondContact O-N 3.25Å; S274-F276 PolarHBondContact OG-N 3.09Å; F276-F278 PolarHBondContact O-N 3.47Å; F276-L279 CarbonylContact O-C 3.6Å; F276-L279 WeakPolarHBondContact O-CB 3.38Å; F276-L279 PolarHBondContact O-N 3.32Å; F276-L279 VanDerWaalsContact O-N 3.17Å; F276-K280 PolarHBondContact O-N 3.41Å; F276-Y284 HydrophobicContact CE2-CE1 4.36Å; F276-Y284 HydrophobicContact CZ-CE1 4.31Å; F276-P318 HydrophobicContact CB-CB 3.92Å; F276-P318 PolarHBondContact N-O 3.17Å; F276-E319 HydrophobicContact CB-CB 4.45Å; F276-E319 HydrophobicContact CB-CG 3.82Å; F276-E319 HydrophobicContact CD1-CG 4.08Å; F276-E319 HydrophobicContact CG-CG 3.88Å
277	D	97.3	Very high	96.6	Very high	70 Å²	70	32 Å²	32	37%	0.374	17%	0.165	S	C	.	.	H	α-helix	trans	-67.7	-39.8	-175.2	-63.6	-52.2	0	0	0	111.1	L273 S274 L279 K280 E281	L273-D277 HydrophobicContact CB-CB 4.39Å; L273-D277 HydrophobicContact CD2-CB 4.24Å; S274-D277 WeakPolarHBondContact CB-OD2 3.21Å; S274-D277 PolarHBondContact O-N 3.15Å; S274-D277 VanDerWaalsContact O-N 3.16Å; S274-D277 PolarHBondContact OG-N 3.36Å; S274-D277 PolarHBondContact OG-OD2 2.93Å; D277-L279 VanDerWaalsContact C-N 3.33Å; D277-L279 PolarHBondContact O-N 3.18Å; D277-K280 PolarHBondContact O-N 3.24Å; D277-E281 WeakPolarHBondContact O-CB 3.41Å; D277-E281 WeakPolarHBondContact O-CG 3.18Å; D277-E281 PolarHBondContact O-N 3.46Å
278	F	97.5	Very high	96.5	Very high	2 Å²	2	35 Å²	35	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-42.7	171.7	-172.3	-81.9	0	0	0	111.6	L273 S274 F276 E281 N282 Y287 F323 F328 R341 V343	L273-F278 HydrophobicContact CB-CB 4.45Å; L273-F278 HydrophobicContact CD1-CB 4.42Å; L273-F278 HydrophobicContact CD1-CD2 4.32Å; S274-F278 PolarHBondContact O-N 2.73Å; F276-F278 PolarHBondContact O-N 3.47Å; F278-E281 PolarHBondContact O-N 3.44Å; F278-N282 HydrophobicContact CE1-CB 4.38Å; F278-N282 WeakPolarHBondContact O-CB 3.14Å; F278-N282 PolarHBondContact O-N 3.21Å; F278-Y287 AromaticContact CD1-CE1 3.73Å; F278-Y287 HydrophobicContact CD1-CE1 3.73Å; F278-Y287 AromaticContact CD1-CZ 3.97Å; F278-Y287 WeakPolarHBondContact CD1-OH 3.44Å; F278-Y287 HydrophobicContact CE1-CE1 4.06Å; F278-F323 HydrophobicContact CB-CD2 4.3Å; F278-F323 HydrophobicContact CB-CE2 3.79Å; F278-F323 HydrophobicContact CD1-CE2 4.46Å; F278-F323 HydrophobicContact CD2-CE2 4.44Å; F278-F323 AromaticContact CG-CE2 3.98Å; F278-F323 HydrophobicContact CG-CE2 3.98Å; F278-F328 HydrophobicContact CE2-CB 3.96Å; F278-F328 HydrophobicContact CE2-CD1 4.14Å; F278-F328 HydrophobicContact CE2-CG 4.37Å; F278-F328 HydrophobicContact CZ-CB 3.93Å; F278-R341 HydrophobicContact CZ-CB 4.12Å; F278-V343 HydrophobicContact CE1-CB 4.24Å; F278-V343 HydrophobicContact CE2-CB 4.01Å; F278-V343 HydrophobicContact CE2-CG2 4.21Å; F278-V343 HydrophobicContact CZ-CB 3.75Å; F278-V343 HydrophobicContact CZ-CG2 4.45Å
279	L	96.5	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-45.1	176	178.4	62.3	0	0	0	111	T275 F276 D277 N282 N283 Y284 L285 Y287 E398	T275-L279 WeakPolarHBondContact O-CB 3.26Å; T275-L279 PolarHBondContact O-N 2.64Å; F276-L279 CarbonylContact O-C 3.6Å; F276-L279 WeakPolarHBondContact O-CB 3.38Å; F276-L279 PolarHBondContact O-N 3.32Å; F276-L279 VanDerWaalsContact O-N 3.17Å; D277-L279 VanDerWaalsContact C-N 3.33Å; D277-L279 PolarHBondContact O-N 3.18Å; L279-N282 CarbonylContact O-C 3.59Å; L279-N282 PolarHBondContact O-N 3.06Å; L279-N283 PolarHBondContact O-N 3.39Å; L279-Y284 HydrophobicContact CG-CD1 4.25Å; L279-Y284 VanDerWaalsContact O-CA 3.27Å; L279-Y284 WeakPolarHBondContact O-CA 3.41Å; L279-Y284 PolarHBondContact O-N 3.02Å; L279-L285 WeakPolarHBondContact CD1-O 3.41Å; L279-Y287 HydrophobicContact CB-CE2 4.3Å; L279-Y287 HydrophobicContact CD1-CE2 4.5Å; L279-E398 HydrophobicContact CD2-CG 4.41Å
280	K	96.1	Very high	96.5	Very high	73 Å²	73	35.9 Å²	35.9	32%	0.317	20%	0.2	S	C	.	.	H	α-helix	trans	-60.4	-48.6	175.3	178.6	172.9	-178	174.7	0	111.7	D88 F276 D277 N282 N283 Y284	D88-K280 VanDerWaalsContact CG-NZ 3.27Å; D88-K280 IonicContact OD1-NZ 3.7Å; D88-K280 PolarHBondContact OD1-NZ 3.03Å; D88-K280 WeakPolarHBondContact OD2-CE 3.23Å; D88-K280 IonicContact OD2-NZ 3.59Å; D88-K280 PolarHBondContact OD2-NZ 3.19Å; F276-K280 PolarHBondContact O-N 3.41Å; D277-K280 PolarHBondContact O-N 3.24Å; K280-N282 VanDerWaalsContact C-N 3.27Å; K280-N282 PolarHBondContact O-N 3.1Å; K280-N283 PolarHBondContact O-N 3.48Å; K280-Y284 HydrophobicContact CB-CE1 4.21Å; K280-Y284 HydrophobicContact CG-CE2 4.2Å
281	E	94.9	Very high	96.5	Very high	86 Å²	86	34.4 Å²	34.4	40%	0.402	19%	0.192	S	C	.	.	H	α-helix	trans	-63	-32.6	177.1	-81.7	-163.2	-143.3	0	0	113.1	L273 D277 F278 N283 R341	L273-E281 WeakPolarHBondContact CD1-OE1 3.44Å; D277-E281 WeakPolarHBondContact O-CB 3.41Å; D277-E281 WeakPolarHBondContact O-CG 3.18Å; D277-E281 PolarHBondContact O-N 3.46Å; F278-E281 PolarHBondContact O-N 3.44Å; E281-N283 PolarHBondContact O-N 3.49Å; E281-R341 IonicContact OE2-CZ 3.87Å; E281-R341 IonicContact OE2-NH1 2.78Å; E281-R341 PolarHBondContact OE2-NH1 2.99Å; E281-R341 IonicContact OE2-NH2 3.64Å
282	N	94.2	Very high	96.6	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.037	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	25.6	172.3	-161.7	26.1	0	0	0	112.3	F278 L279 K280 Y284 L285 R341	F278-N282 HydrophobicContact CE1-CB 4.38Å; F278-N282 WeakPolarHBondContact O-CB 3.14Å; F278-N282 PolarHBondContact O-N 3.21Å; L279-N282 CarbonylContact O-C 3.59Å; L279-N282 PolarHBondContact O-N 3.06Å; K280-N282 VanDerWaalsContact C-N 3.27Å; K280-N282 PolarHBondContact O-N 3.1Å; N282-Y284 VanDerWaalsContact C-N 3.32Å; N282-Y284 PolarHBondContact O-N 3.48Å; N282-L285 VanDerWaalsContact O-CB 3.27Å; N282-L285 WeakPolarHBondContact O-CB 3.41Å; N282-L285 WeakPolarHBondContact O-CG 3.31Å; N282-L285 PolarHBondContact O-N 2.86Å; N282-L285 VanDerWaalsContact O-N 3.1Å; N282-R341 HydrophobicContact CB-CB 4.35Å; N282-R341 PolarHBondContact ND2-O 3.41Å; N282-R341 VanDerWaalsContact OD1-CB 3.26Å; N282-R341 WeakPolarHBondContact OD1-CB 3.49Å; N282-R341 WeakPolarHBondContact OD1-CG 3.2Å; N282-R341 PolarHBondContact OD1-N 2.77Å
283	N	94.3	Very high	96.6	Very high	102 Å²	102	33.3 Å²	33.3	55%	0.545	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	48.8	-179	-59.2	-78.4	0	0	0	113.1	Y81 L279 K280 E281 L285	Y81-N283 HydrophobicContact CE1-CB 4.38Å; Y81-N283 WeakPolarHBondContact CE1-O 3.35Å; Y81-N283 VanDerWaalsContact CZ-O 3.29Å; Y81-N283 PolarHBondContact OH-O 2.98Å; L279-N283 PolarHBondContact O-N 3.39Å; K280-N283 PolarHBondContact O-N 3.48Å; E281-N283 PolarHBondContact O-N 3.49Å; N283-L285 PolarHBondContact O-N 2.83Å
284	Y	95.1	Very high	96.7	Very high	33 Å²	33	35.1 Å²	35.1	13%	0.129	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	29.5	179.4	-59.7	-82.5	0	0	0	114	Y81 Y84 F276 L279 K280 N282 G402	Y81-Y284 HydrophobicContact CD1-CD2 4.46Å; Y81-Y284 HydrophobicContact CE1-CD2 4.32Å; Y84-Y284 HydrophobicContact CD1-CD1 4.5Å; Y84-Y284 AromaticContact CD1-CE1 3.63Å; Y84-Y284 HydrophobicContact CD1-CE1 3.63Å; Y84-Y284 HydrophobicContact CD1-CE2 4.36Å; Y84-Y284 AromaticContact CD1-CZ 3.54Å; Y84-Y284 WeakPolarHBondContact CD1-OH 3.45Å; Y84-Y284 HydrophobicContact CD2-CD1 4.42Å; Y84-Y284 HydrophobicContact CD2-CE1 4.27Å; Y84-Y284 HydrophobicContact CD2-CE2 4.47Å; Y84-Y284 HydrophobicContact CE1-CD1 4.37Å; Y84-Y284 AromaticContact CE1-CE1 3.67Å; Y84-Y284 HydrophobicContact CE1-CE1 3.67Å; Y84-Y284 HydrophobicContact CE2-CD1 4.3Å; Y84-Y284 HydrophobicContact CE2-CE1 4.31Å; Y84-Y284 AromaticContact CG-CE1 3.95Å; Y84-Y284 HydrophobicContact CG-CE1 3.95Å; Y84-Y284 HydrophobicContact CG-CE2 4.02Å; Y84-Y284 AromaticContact CG-CZ 3.65Å; F276-Y284 HydrophobicContact CE2-CE1 4.36Å; F276-Y284 HydrophobicContact CZ-CE1 4.31Å; L279-Y284 HydrophobicContact CG-CD1 4.25Å; L279-Y284 VanDerWaalsContact O-CA 3.27Å; L279-Y284 WeakPolarHBondContact O-CA 3.41Å; L279-Y284 PolarHBondContact O-N 3.02Å; K280-Y284 HydrophobicContact CB-CE1 4.21Å; K280-Y284 HydrophobicContact CG-CE2 4.2Å; N282-Y284 VanDerWaalsContact C-N 3.32Å; N282-Y284 PolarHBondContact O-N 3.48Å; Y284-G402 WeakPolarHBondContact O-CA 3.46Å
285	L	94.7	Very high	96.7	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-79.9	127.3	177.1	-64.2	-170.4	0	0	0	110.6	Y81 L279 N282 N283 E340	Y81-L285 VanDerWaalsContact OH-CD2 3.29Å; Y81-L285 WeakPolarHBondContact OH-CD2 3.49Å; L279-L285 WeakPolarHBondContact CD1-O 3.41Å; N282-L285 VanDerWaalsContact O-CB 3.27Å; N282-L285 WeakPolarHBondContact O-CB 3.41Å; N282-L285 WeakPolarHBondContact O-CG 3.31Å; N282-L285 PolarHBondContact O-N 2.86Å; N282-L285 VanDerWaalsContact O-N 3.1Å; N283-L285 PolarHBondContact O-N 2.83Å; L285-E340 HydrophobicContact CD1-CB 4.1Å; L285-E340 HydrophobicContact CD1-CG 3.65Å
286	P	95.8	Very high	96.7	Very high	49 Å²	49	34.9 Å²	34.9	32%	0.318	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-62	151.9	-174.6	25.1	-34.6	0	0	0	112.2	Y399 Y400	P286-Y399 WeakPolarHBondContact CA-O 3.49Å; P286-Y399 WeakPolarHBondContact CB-O 3.38Å; P286-Y400 VanDerWaalsContact CB-C 3.47Å; P286-Y400 WeakPolarHBondContact CB-O 3.47Å
287	Y	97.2	Very high	96.8	Very high	10 Å²	10	37.6 Å²	37.6	4%	0.039	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-68.9	150.8	171.6	-65.5	-80.2	0	0	0	110.4	T275 F278 L279 M295 F323 Y399	T275-Y287 PolarHBondContact O-OH 2.79Å; F278-Y287 AromaticContact CD1-CE1 3.73Å; F278-Y287 HydrophobicContact CD1-CE1 3.73Å; F278-Y287 AromaticContact CD1-CZ 3.97Å; F278-Y287 WeakPolarHBondContact CD1-OH 3.44Å; F278-Y287 HydrophobicContact CE1-CE1 4.06Å; L279-Y287 HydrophobicContact CB-CE2 4.3Å; L279-Y287 HydrophobicContact CD1-CE2 4.5Å; Y287-M295 HydrophobicContact CD1-CE 3.81Å; Y287-M295 HydrophobicContact CD2-CE 3.78Å; Y287-M295 HydrophobicContact CE1-CE 4.19Å; Y287-M295 HydrophobicContact CE2-CE 4.16Å; Y287-M295 HydrophobicContact CG-CE 3.59Å; Y287-F323 HydrophobicContact CE1-CE2 4.41Å; Y287-F323 AromaticContact CE1-CZ 3.85Å; Y287-F323 HydrophobicContact CE1-CZ 3.85Å; Y287-Y399 AromaticContact CD2-CD1 3.98Å; Y287-Y399 HydrophobicContact CD2-CD1 3.98Å; Y287-Y399 HydrophobicContact CD2-CG 4.05Å; Y287-Y399 AromaticContact CE2-CD1 3.86Å; Y287-Y399 HydrophobicContact CE2-CD1 3.86Å; Y287-Y399 HydrophobicContact CE2-CE1 4.34Å; Y287-Y399 HydrophobicContact CE2-CG 4.37Å; Y287-Y399 PolarHBondContact N-O 2.98Å
288	S	96	Very high	96.8	Very high	64 Å²	64	34.9 Å²	34.9	45%	0.448	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-64.8	153.5	175.1	82.2	0	0	0	0	110.8	G290 Q291 V292	S288-G290 PolarHBondContact O-N 3.04Å; S288-G290 VanDerWaalsContact O-N 3.14Å; S288-Q291 CarbonylContact O-C 3.6Å; S288-Q291 WeakPolarHBondContact O-CA 3.4Å; S288-Q291 WeakPolarHBondContact O-CB 3.36Å; S288-Q291 PolarHBondContact O-N 3.14Å; S288-Q291 WeakPolarHBondContact OG-CG 3.38Å; S288-Q291 PolarHBondContact OG-N 2.98Å; S288-V292 WeakPolarHBondContact O-CG2 3.33Å; S288-V292 PolarHBondContact O-N 3.42Å
289	I	96.9	Very high	96.9	Very high	23 Å²	23	35 Å²	35	12%	0.118	18%	0.181	C	C	.	.	H	α-helix	trans	-56.9	-33.6	-177.7	-171.3	59.8	0	0	0	113.1	R293 Y400 E473 L477 F503	I289-R293 WeakPolarHBondContact O-CB 3.42Å; I289-R293 PolarHBondContact O-N 3.07Å; I289-Y400 HydrophobicContact CD1-CD2 4.35Å; I289-Y400 HydrophobicContact CD1-CE2 4.29Å; I289-E473 HydrophobicContact CG1-CB 4.31Å; I289-E473 HydrophobicContact CG1-CG 4.02Å; I289-E473 HydrophobicContact CG2-CG 4.37Å; I289-E473 WeakPolarHBondContact CG2-OE1 3.45Å; I289-L477 HydrophobicContact CD1-CB 4.12Å; I289-L477 HydrophobicContact CD1-CD2 3.59Å; I289-L477 HydrophobicContact CD1-CG 4.45Å; I289-F503 HydrophobicContact CD1-CE2 3.83Å; I289-F503 HydrophobicContact CD1-CZ 4.06Å; I289-F503 HydrophobicContact CG1-CE2 4.29Å
290	G	96.7	Very high	97	Very high	34 Å²	34	35 Å²	35	35%	0.351	18%	0.181	S	C	.	.	H	α-helix	trans	-68.3	-38.7	172.1	0	0	0	0	0	113.6	S288 R293 H294	S288-G290 PolarHBondContact O-N 3.04Å; S288-G290 VanDerWaalsContact O-N 3.14Å; G290-R293 PolarHBondContact O-N 2.81Å; G290-H294 PolarHBondContact O-N 2.89Å
291	Q	97.6	Very high	97.1	Very high	19 Å²	19	33.3 Å²	33.3	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-44.7	173.1	-69.1	174.3	-35.2	0	0	111.3	S288 R293 H294 M295 T342 V343 T346	S288-Q291 CarbonylContact O-C 3.6Å; S288-Q291 WeakPolarHBondContact O-CA 3.4Å; S288-Q291 WeakPolarHBondContact O-CB 3.36Å; S288-Q291 PolarHBondContact O-N 3.14Å; S288-Q291 WeakPolarHBondContact OG-CG 3.38Å; S288-Q291 PolarHBondContact OG-N 2.98Å; Q291-R293 VanDerWaalsContact C-N 3.33Å; Q291-R293 PolarHBondContact O-N 2.81Å; Q291-H294 PolarHBondContact O-N 3.15Å; Q291-M295 HydrophobicContact CB-CE 4.44Å; Q291-M295 WeakPolarHBondContact O-CB 3.28Å; Q291-M295 WeakPolarHBondContact O-CG 3.24Å; Q291-M295 PolarHBondContact O-N 3.29Å; Q291-T342 VanDerWaalsContact NE2-CG2 3.31Å; Q291-V343 PolarHBondContact NE2-O 3.14Å; Q291-T346 HydrophobicContact CB-CG2 3.73Å; Q291-T346 HydrophobicContact CG-CG2 3.63Å
292	V	98.6	Very high	97.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.2	-46.8	173.4	179.4	0	0	0	0	110.2	S288 H294 M295 A296 L477	S288-V292 WeakPolarHBondContact O-CG2 3.33Å; S288-V292 PolarHBondContact O-N 3.42Å; V292-H294 PolarHBondContact O-N 3.09Å; V292-M295 PolarHBondContact O-N 3.29Å; V292-A296 WeakPolarHBondContact O-CB 3.37Å; V292-A296 PolarHBondContact O-N 3.05Å; V292-L477 HydrophobicContact CG1-CD1 4.04Å; V292-L477 HydrophobicContact CG1-CD2 3.97Å
293	R	98.5	Very high	97.5	Very high	29 Å²	29	28.9 Å²	28.9	11%	0.109	15%	0.154	C	C	.	.	H	α-helix	trans	-55.5	-52.3	176.7	-176.6	-173.5	-69.3	123.1	9.9	112.3	I289 G290 Q291 A296 Y297 E473 F503 F504	I289-R293 WeakPolarHBondContact O-CB 3.42Å; I289-R293 PolarHBondContact O-N 3.07Å; G290-R293 PolarHBondContact O-N 2.81Å; Q291-R293 VanDerWaalsContact C-N 3.33Å; Q291-R293 PolarHBondContact O-N 2.81Å; R293-A296 PolarHBondContact O-N 2.57Å; R293-Y297 PolarHBondContact O-N 2.65Å; R293-E473 IonicContact CZ-OE2 3.15Å; R293-E473 IonicContact NH1-OE2 2.79Å; R293-E473 PolarHBondContact NH1-OE2 2.91Å; R293-E473 VanDerWaalsContact NH2-CB 3.25Å; R293-E473 IonicContact NH2-OE2 2.64Å; R293-E473 PolarHBondContact NH2-OE2 3.26Å; R293-F503 HydrophobicContact CB-CE1 3.92Å; R293-F503 HydrophobicContact CB-CE2 4.24Å; R293-F503 HydrophobicContact CB-CZ 3.61Å; R293-F503 VanDerWaalsContact CD-O 3.3Å; R293-F503 WeakPolarHBondContact CD-O 3.14Å; R293-F503 HydrophobicContact CG-CD1 4.49Å; R293-F503 HydrophobicContact CG-CE1 4.13Å; R293-F503 HydrophobicContact CG-CZ 4.14Å; R293-F503 WeakPolarHBondContact CG-O 3.17Å; R293-F503 PolarHBondContact NE-O 2.82Å; R293-F504 HydrophobicContact CG-CD1 4.02Å; R293-F504 WeakPolarHBondContact O-CE1 3.42Å
294	H	98.3	Very high	97.7	Very high	87 Å²	87	26.1 Å²	26.1	40%	0.403	14%	0.137	S	C	.	.	H	α-helix	trans	-69.6	-37.9	-176.4	-173.5	-131.7	0	0	0	112.8	G290 Q291 V292 Q298 T346	G290-H294 PolarHBondContact O-N 2.89Å; Q291-H294 PolarHBondContact O-N 3.15Å; V292-H294 PolarHBondContact O-N 3.09Å; H294-Q298 PolarHBondContact CE1-NE2 3.02Å; H294-Q298 VanDerWaalsContact CE1-NE2 3.26Å; H294-Q298 PolarHBondContact ND1-NE2 3.4Å; H294-Q298 WeakPolarHBondContact O-CG 3.05Å; H294-Q298 PolarHBondContact O-N 3.16Å; H294-Q298 PolarHBondContact O-NE2 3.31Å; H294-T346 PolarHBondContact ND1-OG1 2.92Å
295	M	98.8	Very high	97.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-68.5	-40	174.8	-67.1	-171.3	-63.1	0	0	111.9	T275 Y287 Q291 V292 Y297 Q298 L299 F323 T346 V348 Y399	T275-M295 HydrophobicContact CG2-SD 4.17Å; Y287-M295 HydrophobicContact CD1-CE 3.81Å; Y287-M295 HydrophobicContact CD2-CE 3.78Å; Y287-M295 HydrophobicContact CE1-CE 4.19Å; Y287-M295 HydrophobicContact CE2-CE 4.16Å; Y287-M295 HydrophobicContact CG-CE 3.59Å; Q291-M295 HydrophobicContact CB-CE 4.44Å; Q291-M295 WeakPolarHBondContact O-CB 3.28Å; Q291-M295 WeakPolarHBondContact O-CG 3.24Å; Q291-M295 PolarHBondContact O-N 3.29Å; V292-M295 PolarHBondContact O-N 3.29Å; M295-Y297 PolarHBondContact O-N 3.35Å; M295-Q298 PolarHBondContact O-N 3.18Å; M295-L299 VanDerWaalsContact O-CB 3.29Å; M295-L299 WeakPolarHBondContact O-CB 3.07Å; M295-L299 PolarHBondContact O-N 3.01Å; M295-F323 HydrophobicContact SD-CE1 3.66Å; M295-F323 HydrophobicContact SD-CZ 3.78Å; M295-T346 HydrophobicContact CG-CG2 4.17Å; M295-T346 HydrophobicContact SD-CG2 4.35Å; M295-V348 HydrophobicContact CG-CG1 4.24Å; M295-V348 HydrophobicContact SD-CG1 4.3Å; M295-Y399 HydrophobicContact CB-CE2 4.17Å; M295-Y399 HydrophobicContact CE-CD2 3.92Å; M295-Y399 HydrophobicContact CE-CE2 4.13Å; M295-Y399 HydrophobicContact CE-CG 4.28Å; M295-Y399 HydrophobicContact SD-CE2 4.47Å
296	A	98.8	Very high	98.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62	-42.1	176.4	0	0	0	0	0	112.5	V292 R293 L299 C300 L396 F503 F504	V292-A296 WeakPolarHBondContact O-CB 3.37Å; V292-A296 PolarHBondContact O-N 3.05Å; R293-A296 PolarHBondContact O-N 2.57Å; A296-L299 PolarHBondContact O-N 3.35Å; A296-C300 WeakPolarHBondContact O-CB 3.38Å; A296-C300 PolarHBondContact O-N 3.34Å; A296-C300 PolarHBondContact O-SG 2.73Å; A296-L396 HydrophobicContact CB-CD1 3.74Å; A296-L396 HydrophobicContact CB-CD2 3.47Å; A296-L396 VanDerWaalsContact CB-CD2 3.47Å; A296-L396 HydrophobicContact CB-CG 4.26Å; A296-F503 HydrophobicContact CB-CE1 4.4Å; A296-F504 HydrophobicContact CB-CE1 3.83Å; A296-F504 HydrophobicContact CB-CZ 3.93Å
297	Y	98.7	Very high	98.2	Very high	93 Å²	93	23.4 Å²	23.4	37%	0.365	12%	0.122	S	C	.	.	H	α-helix	trans	-62.1	-49.8	176.8	-178.6	-92.6	0	0	0	111.4	R293 M295 L299 C300 L301 L499 F504	R293-Y297 PolarHBondContact O-N 2.65Å; M295-Y297 PolarHBondContact O-N 3.35Å; Y297-L299 VanDerWaalsContact C-N 3.35Å; Y297-L299 PolarHBondContact O-N 3.36Å; Y297-C300 PolarHBondContact O-N 2.78Å; Y297-L301 HydrophobicContact CE1-CD2 4.36Å; Y297-L301 WeakPolarHBondContact O-CB 3.41Å; Y297-L301 PolarHBondContact O-N 2.73Å; Y297-L499 HydrophobicContact CD2-CD2 3.72Å; Y297-L499 HydrophobicContact CE2-CD2 3.66Å; Y297-L499 HydrophobicContact CG-CD2 4.32Å; Y297-F504 HydrophobicContact CD2-CB 4.17Å; Y297-F504 HydrophobicContact CD2-CD1 4.06Å; Y297-F504 HydrophobicContact CD2-CD2 4.22Å; Y297-F504 AromaticContact CD2-CG 3.9Å; Y297-F504 HydrophobicContact CD2-CG 3.9Å; Y297-F504 HydrophobicContact CG-CD1 4.45Å
298	Q	98.7	Very high	98.3	Very high	13 Å²	13	27 Å²	27	6%	0.061	14%	0.141	C	C	.	.	H	α-helix	trans	-61.1	-41.5	178.2	-72.8	172.7	93	0	0	112.3	L250 H294 M295 L301 A302 T346 V348	L250-Q298 HydrophobicContact CD1-CB 3.55Å; L250-Q298 HydrophobicContact CD1-CG 3.58Å; H294-Q298 PolarHBondContact CE1-NE2 3.02Å; H294-Q298 VanDerWaalsContact CE1-NE2 3.26Å; H294-Q298 PolarHBondContact ND1-NE2 3.4Å; H294-Q298 WeakPolarHBondContact O-CG 3.05Å; H294-Q298 PolarHBondContact O-N 3.16Å; H294-Q298 PolarHBondContact O-NE2 3.31Å; M295-Q298 PolarHBondContact O-N 3.18Å; Q298-L301 PolarHBondContact O-N 3.49Å; Q298-A302 WeakPolarHBondContact O-CB 3.43Å; Q298-A302 PolarHBondContact O-N 2.63Å; Q298-T346 PolarHBondContact NE2-O 3.21Å; Q298-V348 HydrophobicContact CB-CG2 3.82Å
299	L	98.8	Very high	98.4	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-65.6	-43.2	177.4	-177.2	59.4	0	0	0	111.7	M295 A296 Y297 V303 I321 V350 I392 I395	M295-L299 VanDerWaalsContact O-CB 3.29Å; M295-L299 WeakPolarHBondContact O-CB 3.07Å; M295-L299 PolarHBondContact O-N 3.01Å; A296-L299 PolarHBondContact O-N 3.35Å; Y297-L299 VanDerWaalsContact C-N 3.35Å; Y297-L299 PolarHBondContact O-N 3.36Å; L299-V303 HydrophobicContact CD1-CG2 3.97Å; L299-V303 WeakPolarHBondContact O-CB 3.45Å; L299-V303 VanDerWaalsContact O-CG2 3.31Å; L299-V303 WeakPolarHBondContact O-CG2 3.38Å; L299-V303 PolarHBondContact O-N 2.67Å; L299-I321 HydrophobicContact CD1-CD1 3.72Å; L299-I321 HydrophobicContact CD1-CG1 4.14Å; L299-I321 HydrophobicContact CD2-CD1 3.66Å; L299-I321 HydrophobicContact CG-CD1 4.32Å; L299-V350 HydrophobicContact CD1-CG2 3.85Å; L299-I392 HydrophobicContact CD2-CB 4.41Å; L299-I392 HydrophobicContact CD2-CG1 3.89Å; L299-I392 HydrophobicContact CD2-CG2 4.04Å; L299-I392 HydrophobicContact CG-CD1 4.24Å; L299-I392 HydrophobicContact CG-CG1 3.96Å; L299-I392 HydrophobicContact CG-CG2 4.49Å; L299-I395 HydrophobicContact CD2-CD1 4.46Å; L299-I395 HydrophobicContact CD2-CG2 4.18Å
300	C	98.8	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-43.2	173.3	-69	0	0	0	0	111.6	A296 Y297 K304 L495 S498 L499	A296-C300 WeakPolarHBondContact O-CB 3.38Å; A296-C300 PolarHBondContact O-N 3.34Å; A296-C300 PolarHBondContact O-SG 2.73Å; Y297-C300 PolarHBondContact O-N 2.78Å; C300-K304 WeakPolarHBondContact O-CB 3.23Å; C300-K304 PolarHBondContact O-N 2.97Å; C300-L495 HydrophobicContact CB-CD2 4.35Å; C300-S498 PolarHBondContact SG-OG 3.38Å; C300-L499 HydrophobicContact CB-CD2 3.6Å; C300-L499 HydrophobicContact CB-CG 4.06Å
301	L	98.6	Very high	98.6	Very high	38 Å²	38	28.7 Å²	28.7	20%	0.199	13%	0.132	C	C	.	.	H	α-helix	trans	-61.8	-48.4	178.8	178.1	63.5	0	0	0	112	F249 L250 Y297 Q298 F305 L499	F249-L301 HydrophobicContact CD1-CD1 4.02Å; F249-L301 HydrophobicContact CD1-CG 4.3Å; F249-L301 HydrophobicContact CE1-CD1 4.23Å; L250-L301 HydrophobicContact CD1-CD2 4.24Å; Y297-L301 HydrophobicContact CE1-CD2 4.36Å; Y297-L301 WeakPolarHBondContact O-CB 3.41Å; Y297-L301 PolarHBondContact O-N 2.73Å; Q298-L301 PolarHBondContact O-N 3.49Å; L301-F305 PolarHBondContact O-N 3.12Å; L301-L499 HydrophobicContact CB-CD2 4.4Å; L301-L499 HydrophobicContact CD1-CD1 4.42Å
302	A	98.8	Very high	98.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-50.3	-179.8	0	0	0	0	0	111.9	F249 L250 Q298 K304 F305 L306 V350	F249-A302 VanDerWaalsContact O-CA 3.23Å; F249-A302 WeakPolarHBondContact O-CA 3.3Å; F249-A302 WeakPolarHBondContact O-CB 3.38Å; L250-A302 HydrophobicContact CB-CB 4.31Å; Q298-A302 WeakPolarHBondContact O-CB 3.43Å; Q298-A302 PolarHBondContact O-N 2.63Å; A302-K304 PolarHBondContact O-N 3.32Å; A302-F305 WeakPolarHBondContact O-CB 3.29Å; A302-F305 PolarHBondContact O-N 2.98Å; A302-L306 PolarHBondContact O-N 2.76Å; A302-V350 HydrophobicContact CB-CG2 3.71Å
303	V	98.8	Very high	98.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-71.8	-31.5	-176.2	-179	0	0	0	0	111.3	L299 F305 L306 H307 L316 D388 I392 L495	L299-V303 HydrophobicContact CD1-CG2 3.97Å; L299-V303 WeakPolarHBondContact O-CB 3.45Å; L299-V303 VanDerWaalsContact O-CG2 3.31Å; L299-V303 WeakPolarHBondContact O-CG2 3.38Å; L299-V303 PolarHBondContact O-N 2.67Å; V303-F305 VanDerWaalsContact C-N 3.31Å; V303-F305 PolarHBondContact O-N 3.1Å; V303-L306 WeakPolarHBondContact O-CB 3.43Å; V303-L306 PolarHBondContact O-N 3.25Å; V303-L306 VanDerWaalsContact O-N 3.15Å; V303-H307 WeakPolarHBondContact CG1-NE2 3.44Å; V303-H307 PolarHBondContact O-CD2 3.27Å; V303-H307 VanDerWaalsContact O-CD2 3.32Å; V303-H307 PolarHBondContact O-N 2.85Å; V303-L316 HydrophobicContact CG1-CD1 4.05Å; V303-L316 HydrophobicContact CG2-CD1 3.71Å; V303-L316 HydrophobicContact CG2-CD2 4.07Å; V303-D388 HydrophobicContact CG1-CB 3.87Å; V303-I392 HydrophobicContact CB-CD1 4.14Å; V303-I392 HydrophobicContact CG1-CD1 4.22Å; V303-I392 HydrophobicContact CG2-CD1 4.21Å; V303-L495 HydrophobicContact CB-CD1 3.62Å; V303-L495 HydrophobicContact CG1-CD1 3.49Å; V303-L495 VanDerWaalsContact CG1-CD1 3.49Å
304	K	98.8	Very high	98.6	Very high	43 Å²	43	26.5 Å²	26.5	19%	0.187	12%	0.123	C	C	.	.	H	α-helix	trans	-58.8	-42.5	170.5	-171.1	-151.3	179.4	-53.2	0	111.4	C300 A302 L306 H307 D308 L495 S496 L499	C300-K304 WeakPolarHBondContact O-CB 3.23Å; C300-K304 PolarHBondContact O-N 2.97Å; A302-K304 PolarHBondContact O-N 3.32Å; K304-L306 VanDerWaalsContact C-N 3.29Å; K304-L306 PolarHBondContact O-N 2.67Å; K304-H307 PolarHBondContact O-N 3.48Å; K304-D308 IonicContact NZ-OD1 2.69Å; K304-D308 PolarHBondContact NZ-OD1 2.68Å; K304-D308 IonicContact NZ-OD2 3.04Å; K304-D308 PolarHBondContact NZ-OD2 3.12Å; K304-D308 WeakPolarHBondContact O-CB 3.4Å; K304-D308 VanDerWaalsContact O-CG 3.27Å; K304-D308 PolarHBondContact O-N 3.34Å; K304-L495 HydrophobicContact CB-CB 3.78Å; K304-L495 HydrophobicContact CB-CD1 4.39Å; K304-L495 HydrophobicContact CG-CB 4.1Å; K304-S496 WeakPolarHBondContact CE-OG 3.28Å; K304-S496 PolarHBondContact NZ-OG 2.76Å; K304-L499 HydrophobicContact CD-CD1 3.88Å
305	F	98.8	Very high	98.6	Very high	11 Å²	11	23.1 Å²	23.1	5%	0.048	11%	0.108	C	C	.	.	H	α-helix	trans	-61.9	-36.1	176.7	161.8	-94.5	0	0	0	112.4	I240 K243 D244 F249 L301 A302 V303 N309	I240-F305 HydrophobicContact CG2-CE1 4.28Å; K243-F305 HydrophobicContact CB-CE2 3.94Å; K243-F305 HydrophobicContact CB-CZ 3.67Å; D244-F305 HydrophobicContact CB-CE1 4.42Å; D244-F305 HydrophobicContact CB-CE2 4Å; D244-F305 HydrophobicContact CB-CZ 3.68Å; F249-F305 HydrophobicContact CB-CB 3.62Å; F249-F305 HydrophobicContact CB-CD1 3.75Å; F249-F305 HydrophobicContact CB-CD2 3.89Å; F249-F305 HydrophobicContact CB-CE1 4.36Å; F249-F305 HydrophobicContact CB-CE2 4.47Å; F249-F305 HydrophobicContact CB-CG 3.48Å; F249-F305 VanDerWaalsContact CB-CG 3.48Å; F249-F305 HydrophobicContact CD1-CB 3.77Å; F249-F305 HydrophobicContact CD1-CD2 4.14Å; F249-F305 HydrophobicContact CD1-CG 4.16Å; F249-F305 HydrophobicContact CD2-CB 4.31Å; F249-F305 AromaticContact CD2-CD2 3.23Å; F249-F305 HydrophobicContact CD2-CD2 3.23Å; F249-F305 AromaticContact CD2-CE2 3.52Å; F249-F305 HydrophobicContact CD2-CE2 3.52Å; F249-F305 AromaticContact CD2-CG 3.79Å; F249-F305 HydrophobicContact CD2-CG 3.79Å; F249-F305 HydrophobicContact CD2-CZ 4.29Å; F249-F305 AromaticContact CE2-CD2 3.7Å; F249-F305 HydrophobicContact CE2-CD2 3.7Å; F249-F305 AromaticContact CE2-CE2 3.99Å; F249-F305 HydrophobicContact CE2-CE2 3.99Å; F249-F305 HydrophobicContact CG-CB 3.64Å; F249-F305 HydrophobicContact CG-CD1 4.29Å; F249-F305 AromaticContact CG-CD2 3.49Å; F249-F305 HydrophobicContact CG-CD2 3.49Å; F249-F305 VanDerWaalsContact CG-CD2 3.49Å; F249-F305 HydrophobicContact CG-CE2 4.16Å; F249-F305 AromaticContact CG-CG 3.55Å; F249-F305 HydrophobicContact CG-CG 3.55Å; F249-F305 HydrophobicContact CZ-CD2 4.33Å; L301-F305 PolarHBondContact O-N 3.12Å; A302-F305 WeakPolarHBondContact O-CB 3.29Å; A302-F305 PolarHBondContact O-N 2.98Å; V303-F305 VanDerWaalsContact C-N 3.31Å; V303-F305 PolarHBondContact O-N 3.1Å; F305-N309 WeakPolarHBondContact CE2-ND2 3.29Å; F305-N309 PolarHBondContact O-N 2.96Å; F305-N309 PolarHBondContact O-ND2 2.92Å
306	L	98.7	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.6	-48.6	172	-51.3	176.4	0	0	0	110.7	I240 A302 V303 K304 D308 N309 K310 L311 H313 F353	I240-L306 HydrophobicContact CD1-CD2 3.96Å; I240-L306 HydrophobicContact CG1-CD2 4.32Å; A302-L306 PolarHBondContact O-N 2.76Å; V303-L306 WeakPolarHBondContact O-CB 3.43Å; V303-L306 PolarHBondContact O-N 3.25Å; V303-L306 VanDerWaalsContact O-N 3.15Å; K304-L306 VanDerWaalsContact C-N 3.29Å; K304-L306 PolarHBondContact O-N 2.67Å; L306-D308 PolarHBondContact O-N 2.69Å; L306-N309 CarbonylContact O-C 3.55Å; L306-N309 VanDerWaalsContact O-C 3.3Å; L306-N309 WeakPolarHBondContact O-CA 3.49Å; L306-N309 PolarHBondContact O-N 2.94Å; L306-K310 PolarHBondContact O-N 2.89Å; L306-L311 CarbonylContact C-O 3.44Å; L306-L311 HydrophobicContact CB-CB 4.37Å; L306-L311 WeakPolarHBondContact CB-O 3.4Å; L306-L311 HydrophobicContact CD2-CD2 4.03Å; L306-L311 PolarHBondContact O-N 3.25Å; L306-H313 HydrophobicContact CD1-CB 4.07Å; L306-F353 HydrophobicContact CD1-CE1 3.8Å; L306-F353 HydrophobicContact CD2-CE1 3.7Å; L306-F353 HydrophobicContact CD2-CZ 4.33Å; L306-F353 HydrophobicContact CG-CE1 4.42Å
307	H	98.6	Very high	98.6	Very high	22 Å²	22	24.3 Å²	24.3	10%	0.102	11%	0.113	C	C	.	.	H	α-helix	trans	-64.8	-37.3	-178.7	-62.9	-177.5	0	0	0	113	V303 K304 N309 K310 L311 H385 D388	V303-H307 WeakPolarHBondContact CG1-NE2 3.44Å; V303-H307 PolarHBondContact O-CD2 3.27Å; V303-H307 VanDerWaalsContact O-CD2 3.32Å; V303-H307 PolarHBondContact O-N 2.85Å; K304-H307 PolarHBondContact O-N 3.48Å; H307-N309 PolarHBondContact O-N 2.98Å; H307-K310 PolarHBondContact O-N 3.34Å; H307-K310 VanDerWaalsContact O-N 3.15Å; H307-K310 PolarHBondContact O-NZ 3.01Å; H307-L311 PolarHBondContact CD2-O 3.19Å; H307-L311 PolarHBondContact N-O 3.28Å; H307-H385 HydrophobicContact CB-CB 4.31Å; H307-H385 AromaticContact CD2-CD2 3.26Å; H307-H385 PolarHBondContact CD2-CD2 2.78Å; H307-H385 AromaticContact CD2-CG 3.84Å; H307-H385 PolarHBondContact CE1-O 2.86Å; H307-H385 AromaticContact CG-CD2 3.53Å; H307-H385 AromaticContact CG-CG 3.75Å; H307-H385 AromaticContact NE2-CD2 3.93Å; H307-H385 PolarHBondContact NE2-O 3.42Å; H307-D388 IonicContact CD2-OD2 3.93Å; H307-D388 IonicContact CE1-OD2 3.63Å; H307-D388 IonicContact NE2-OD2 3.27Å; H307-D388 PolarHBondContact NE2-OD2 2.56Å
308	D	98.4	Very high	98.6	Very high	84 Å²	84	19.9 Å²	19.9	45%	0.449	10%	0.096	S	C	.	.	H	α-helix	trans	-59.5	-38.8	172.1	-72.6	-14.7	0	0	0	110.7	K304 L306 K310	K304-D308 IonicContact NZ-OD1 2.69Å; K304-D308 PolarHBondContact NZ-OD1 2.68Å; K304-D308 IonicContact NZ-OD2 3.04Å; K304-D308 PolarHBondContact NZ-OD2 3.12Å; K304-D308 WeakPolarHBondContact O-CB 3.4Å; K304-D308 VanDerWaalsContact O-CG 3.27Å; K304-D308 PolarHBondContact O-N 3.34Å; L306-D308 PolarHBondContact O-N 2.69Å; D308-K310 VanDerWaalsContact C-N 3.32Å; D308-K310 WeakPolarHBondContact O-CE 3.31Å; D308-K310 PolarHBondContact O-N 2.93Å; D308-K310 PolarHBondContact O-NZ 3.31Å
309	N	98.2	Very high	98.5	Very high	46 Å²	46	22.3 Å²	22.3	25%	0.246	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	15.3	176.8	-71.8	-78.5	0	0	0	114.7	K243 F305 L306 H307 L311	K243-N309 VanDerWaalsContact CD-OD1 3.32Å; K243-N309 WeakPolarHBondContact CD-OD1 3.38Å; K243-N309 VanDerWaalsContact CE-OD1 3.3Å; K243-N309 WeakPolarHBondContact CE-OD1 3.31Å; F305-N309 WeakPolarHBondContact CE2-ND2 3.29Å; F305-N309 PolarHBondContact O-N 2.96Å; F305-N309 PolarHBondContact O-ND2 2.92Å; L306-N309 CarbonylContact O-C 3.55Å; L306-N309 VanDerWaalsContact O-C 3.3Å; L306-N309 WeakPolarHBondContact O-CA 3.49Å; L306-N309 PolarHBondContact O-N 2.94Å; H307-N309 PolarHBondContact O-N 2.98Å; N309-L311 VanDerWaalsContact C-N 3.33Å; N309-L311 PolarHBondContact O-N 3.31Å
310	K	98.2	Very high	98.5	Very high	107 Å²	107	22.8 Å²	22.8	47%	0.465	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	33.3	174.7	-48.3	-62.5	145.5	-133.6	0	114	L306 H307 D308 F358 D359	L306-K310 PolarHBondContact O-N 2.89Å; H307-K310 PolarHBondContact O-N 3.34Å; H307-K310 VanDerWaalsContact O-N 3.15Å; H307-K310 PolarHBondContact O-NZ 3.01Å; D308-K310 VanDerWaalsContact C-N 3.32Å; D308-K310 WeakPolarHBondContact O-CE 3.31Å; D308-K310 PolarHBondContact O-N 2.93Å; D308-K310 PolarHBondContact O-NZ 3.31Å; K310-F358 CarbonylContact O-C 3.59Å; K310-F358 VanDerWaalsContact O-CA 3.23Å; K310-F358 WeakPolarHBondContact O-CA 3.39Å; K310-F358 WeakPolarHBondContact O-CD1 3.16Å; K310-D359 HydrophobicContact CB-CB 4.16Å; K310-D359 WeakPolarHBondContact CB-OD2 3.47Å; K310-D359 WeakPolarHBondContact CD-OD2 3.48Å; K310-D359 PolarHBondContact O-N 2.99Å
311	L	98.4	Very high	98.5	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123	-177.6	-178	68	0	0	0	109.5	V236 I240 L306 H307 N309 A356 F358 H385	V236-L311 HydrophobicContact CG1-CD1 4.21Å; V236-L311 HydrophobicContact CG1-CD2 3.56Å; V236-L311 HydrophobicContact CG2-CD1 4.2Å; I240-L311 HydrophobicContact CD1-CD2 4.19Å; I240-L311 HydrophobicContact CG1-CD2 4.4Å; L306-L311 CarbonylContact C-O 3.44Å; L306-L311 HydrophobicContact CB-CB 4.37Å; L306-L311 WeakPolarHBondContact CB-O 3.4Å; L306-L311 HydrophobicContact CD2-CD2 4.03Å; L306-L311 PolarHBondContact O-N 3.25Å; H307-L311 PolarHBondContact CD2-O 3.19Å; H307-L311 PolarHBondContact N-O 3.28Å; N309-L311 VanDerWaalsContact C-N 3.33Å; N309-L311 PolarHBondContact O-N 3.31Å; L311-A356 HydrophobicContact CD1-CB 3.84Å; L311-A356 HydrophobicContact CG-CB 4.27Å; L311-F358 HydrophobicContact CB-CD1 4.07Å; L311-F358 HydrophobicContact CB-CE1 4.06Å; L311-F358 HydrophobicContact CD1-CD1 3.95Å; L311-F358 HydrophobicContact CD1-CD2 4.11Å; L311-F358 HydrophobicContact CD1-CE1 3.98Å; L311-F358 HydrophobicContact CD1-CE2 4.15Å; L311-F358 HydrophobicContact CD1-CG 4.01Å; L311-F358 HydrophobicContact CD1-CZ 4.08Å; L311-F358 HydrophobicContact CG-CE1 4.44Å; L311-H385 PolarHBondContact N-NE2 3.16Å
312	T	98.7	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.9	170.5	-52.8	0	0	0	0	108.6	T314 A356 T357 W383 H385 D388	T312-T314 HydrophobicContact CG2-CG2 3.8Å; T312-A356 CarbonylContact O-C 3.3Å; T312-A356 VanDerWaalsContact O-CA 3.24Å; T312-A356 WeakPolarHBondContact O-CA 3.29Å; T312-T357 PolarHBondContact N-O 3.41Å; T312-T357 PolarHBondContact O-N 3.04Å; T312-W383 HydrophobicContact CG2-CE3 4.31Å; T312-W383 HydrophobicContact CG2-CZ3 4.09Å; T312-H385 PolarHBondContact OG1-CD2 3.21Å; T312-H385 PolarHBondContact OG1-N 3.28Å; T312-D388 VanDerWaalsContact CG2-OD2 3.3Å; T312-D388 WeakPolarHBondContact CG2-OD2 3.37Å
313	H	98.7	Very high	98.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.			trans	-73.9	-39.4	-178.9	-173.1	-77.3	0	0	0	112	L306 D315 L316 V351 F353 S355 D388	L306-H313 HydrophobicContact CD1-CB 4.07Å; H313-D315 PolarHBondContact CE1-O 2.84Å; H313-D315 VanDerWaalsContact ND1-C 3.31Å; H313-D315 PolarHBondContact ND1-N 3.45Å; H313-D315 PolarHBondContact O-N 3.19Å; H313-L316 HydrophobicContact CB-CD1 4.47Å; H313-L316 HydrophobicContact CB-CD2 4.09Å; H313-L316 HydrophobicContact CB-CG 3.96Å; H313-L316 PolarHBondContact ND1-N 3.28Å; H313-V351 PolarHBondContact NE2-O 3Å; H313-F353 AromaticContact CD2-CD1 3.96Å; H313-F353 AromaticContact CD2-CE1 3.76Å; H313-S355 CarbonylContact O-C 3.58Å; H313-D388 PolarHBondContact N-OD2 2.82Å
314	T	98.3	Very high	98.5	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	13%	0.126	C	C	.	.			trans	66.3	-27.9	178.2	90.6	0	0	0	0	117.1	T312 S355 V367 S368 W383 D388	T312-T314 HydrophobicContact CG2-CG2 3.8Å; T314-S355 WeakPolarHBondContact OG1-CB 3.39Å; T314-S355 PolarHBondContact OG1-O 3.04Å; T314-V367 HydrophobicContact CG2-CG1 4.48Å; T314-S368 WeakPolarHBondContact O-CA 3.22Å; T314-S368 WeakPolarHBondContact O-CB 3.26Å; T314-S368 PolarHBondContact O-N 3.03Å; T314-S368 VanDerWaalsContact O-N 3.16Å; T314-S368 PolarHBondContact O-OG 3.1Å; T314-W383 HydrophobicContact CG2-CE3 4.35Å; T314-W383 HydrophobicContact CG2-CH2 3.67Å; T314-W383 HydrophobicContact CG2-CZ3 3.55Å; T314-D388 WeakPolarHBondContact CA-OD1 3.29Å; T314-D388 PolarHBondContact N-OD1 3.3Å
315	D	97.8	Very high	98.3	Very high	16 Å²	16	26.7 Å²	26.7	9%	0.086	14%	0.135	C	C	.	.			trans	-121.3	50.3	176.9	-162.3	42.2	0	0	0	114.4	H313 K317 N320 T369	H313-D315 PolarHBondContact CE1-O 2.84Å; H313-D315 VanDerWaalsContact ND1-C 3.31Å; H313-D315 PolarHBondContact ND1-N 3.45Å; H313-D315 PolarHBondContact O-N 3.19Å; D315-K317 IonicContact OD1-NZ 3.94Å; D315-K317 IonicContact OD2-NZ 3.02Å; D315-K317 PolarHBondContact OD2-NZ 2.85Å; D315-N320 PolarHBondContact O-ND2 2.71Å; D315-T369 VanDerWaalsContact OD1-CB 3.28Å; D315-T369 WeakPolarHBondContact OD1-CB 3.26Å; D315-T369 PolarHBondContact OD1-N 2.89Å; D315-T369 PolarHBondContact OD1-OG1 2.78Å
316	L	98.8	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.			trans	-72.4	130	170.9	-68	175	0	0	0	111	V303 H313 V350 D388 I392 I395	V303-L316 HydrophobicContact CG1-CD1 4.05Å; V303-L316 HydrophobicContact CG2-CD1 3.71Å; V303-L316 HydrophobicContact CG2-CD2 4.07Å; H313-L316 HydrophobicContact CB-CD1 4.47Å; H313-L316 HydrophobicContact CB-CD2 4.09Å; H313-L316 HydrophobicContact CB-CG 3.96Å; H313-L316 PolarHBondContact ND1-N 3.28Å; L316-V350 HydrophobicContact CD2-CG1 3.94Å; L316-D388 HydrophobicContact CD1-CB 3.68Å; L316-I392 HydrophobicContact CD1-CD1 4.22Å; L316-I392 HydrophobicContact CD1-CG1 3.97Å; L316-I395 HydrophobicContact CB-CD1 4.12Å
317	K	98.6	Very high	98.1	Very high	26 Å²	26	31.2 Å²	31.2	11%	0.113	16%	0.161	C	C	.	.			trans	-163.2	161.7	178.8	61.5	-173.2	-173.3	-123.1	0	109.8	D315 E319 N320 T369 Y372	D315-K317 IonicContact OD1-NZ 3.94Å; D315-K317 IonicContact OD2-NZ 3.02Å; D315-K317 PolarHBondContact OD2-NZ 2.85Å; K317-E319 VanDerWaalsContact CB-OE2 3.31Å; K317-E319 WeakPolarHBondContact CB-OE2 3.44Å; K317-E319 HydrophobicContact CD-CB 4.28Å; K317-E319 WeakPolarHBondContact CD-OE2 3.2Å; K317-E319 HydrophobicContact CG-CB 4.15Å; K317-E319 VanDerWaalsContact CG-OE2 3.26Å; K317-E319 WeakPolarHBondContact CG-OE2 3.47Å; K317-E319 PolarHBondContact O-N 3.23Å; K317-N320 WeakPolarHBondContact CE-OD1 3.33Å; K317-N320 HydrophobicContact CG-CB 3.98Å; K317-N320 PolarHBondContact NZ-ND2 2.93Å; K317-N320 PolarHBondContact O-N 3.42Å; K317-T369 HydrophobicContact CD-CG2 4.29Å; K317-Y372 HydrophobicContact CB-CD2 3.56Å; K317-Y372 HydrophobicContact CB-CE2 3.38Å; K317-Y372 HydrophobicContact CB-CG 4.28Å
318	P	98.6	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.8	-27.9	-179.6	-26	38.4	0	0	0	114.2	T275 F276 N320 I321 Y372 I395 Y399	T275-P318 PolarHBondContact N-O 3.31Å; T275-P318 WeakPolarHBondContact OG1-CA 3.5Å; T275-P318 PolarHBondContact OG1-O 3.48Å; F276-P318 HydrophobicContact CB-CB 3.92Å; F276-P318 PolarHBondContact N-O 3.17Å; P318-N320 VanDerWaalsContact C-N 3.28Å; P318-N320 PolarHBondContact O-N 3.24Å; P318-I321 PolarHBondContact O-N 3.22Å; P318-I321 VanDerWaalsContact O-O 3.14Å; P318-Y372 WeakPolarHBondContact CD-OH 3.36Å; P318-Y372 HydrophobicContact CG-CE1 4.32Å; P318-I395 HydrophobicContact CG-CG1 4.19Å; P318-I395 HydrophobicContact CG-CG2 4.38Å; P318-Y399 HydrophobicContact CB-CE1 4.1Å; P318-Y399 HydrophobicContact CG-CE1 4.33Å
319	E	97.6	Very high	97.8	Very high	65 Å²	65	32.8 Å²	32.8	30%	0.304	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-66.8	-28.2	173.7	-53.7	95	125.3	0	0	112.8	S274 F276 K317 L322	S274-E319 WeakPolarHBondContact CB-O 3.34Å; F276-E319 HydrophobicContact CB-CB 4.45Å; F276-E319 HydrophobicContact CB-CG 3.82Å; F276-E319 HydrophobicContact CD1-CG 4.08Å; F276-E319 HydrophobicContact CG-CG 3.88Å; K317-E319 VanDerWaalsContact CB-OE2 3.31Å; K317-E319 WeakPolarHBondContact CB-OE2 3.44Å; K317-E319 HydrophobicContact CD-CB 4.28Å; K317-E319 WeakPolarHBondContact CD-OE2 3.2Å; K317-E319 HydrophobicContact CG-CB 4.15Å; K317-E319 VanDerWaalsContact CG-OE2 3.26Å; K317-E319 WeakPolarHBondContact CG-OE2 3.47Å; K317-E319 PolarHBondContact O-N 3.23Å; E319-L322 VanDerWaalsContact O-CD1 3.31Å; E319-L322 WeakPolarHBondContact O-CD1 3.31Å
320	N	98.4	Very high	97.6	Very high	13 Å²	13	34.7 Å²	34.7	7%	0.07	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-97.2	14.7	-178.7	-72.8	0.9	0	0	0	112.5	D315 K317 P318 V351 D352	D315-N320 PolarHBondContact O-ND2 2.71Å; K317-N320 WeakPolarHBondContact CE-OD1 3.33Å; K317-N320 HydrophobicContact CG-CB 3.98Å; K317-N320 PolarHBondContact NZ-ND2 2.93Å; K317-N320 PolarHBondContact O-N 3.42Å; P318-N320 VanDerWaalsContact C-N 3.28Å; P318-N320 PolarHBondContact O-N 3.24Å; N320-V351 HydrophobicContact CB-CG2 4.44Å; N320-V351 PolarHBondContact O-N 3.46Å; N320-D352 PolarHBondContact ND2-OD2 3.11Å
321	I	98.8	Very high	97.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	113	172.8	-58.8	163.8	0	0	0	106.9	S274 T275 L299 P318 V348 R349 I395 Y399	S274-I321 CarbonylContact C-O 3.52Å; S274-I321 WeakPolarHBondContact CA-O 3.31Å; T275-I321 HydrophobicContact CG2-CB 4.25Å; T275-I321 HydrophobicContact CG2-CG2 3.83Å; T275-I321 WeakPolarHBondContact CG2-O 3.45Å; T275-I321 PolarHBondContact N-O 2.93Å; T275-I321 PolarHBondContact OG1-O 3.36Å; L299-I321 HydrophobicContact CD1-CD1 3.72Å; L299-I321 HydrophobicContact CD1-CG1 4.14Å; L299-I321 HydrophobicContact CD2-CD1 3.66Å; L299-I321 HydrophobicContact CG-CD1 4.32Å; P318-I321 PolarHBondContact O-N 3.22Å; P318-I321 VanDerWaalsContact O-O 3.14Å; I321-V348 HydrophobicContact CG2-CB 3.92Å; I321-V348 HydrophobicContact CG2-CG1 4.09Å; I321-V348 HydrophobicContact CG2-CG2 4.22Å; I321-R349 WeakPolarHBondContact CA-O 3.44Å; I321-I395 HydrophobicContact CD1-CD1 4.03Å; I321-I395 HydrophobicContact CD1-CG2 4.06Å; I321-Y399 VanDerWaalsContact CD1-OH 3.26Å; I321-Y399 WeakPolarHBondContact CD1-OH 3.26Å
322	L	98.7	Very high	97	Very high	34 Å²	34	39 Å²	39	18%	0.178	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	143.4	-174.7	-84.9	62.1	0	0	0	111.3	L271 E319 V348 R349 V351	L271-L322 HydrophobicContact CB-CB 4.04Å; L271-L322 HydrophobicContact CB-CD2 3.92Å; L271-L322 HydrophobicContact CD1-CB 3.96Å; L271-L322 HydrophobicContact CD1-CD2 4.24Å; E319-L322 VanDerWaalsContact O-CD1 3.31Å; E319-L322 WeakPolarHBondContact O-CD1 3.31Å; L322-V348 CarbonylContact O-C 3.59Å; L322-V348 WeakPolarHBondContact O-CA 3.37Å; L322-V348 WeakPolarHBondContact O-CB 3.29Å; L322-R349 PolarHBondContact N-O 3.21Å; L322-R349 PolarHBondContact O-N 2.94Å; L322-V351 HydrophobicContact CB-CG1 4.24Å; L322-V351 HydrophobicContact CD1-CG1 4.08Å; L322-V351 HydrophobicContact CD1-CG2 3.65Å; L322-V351 HydrophobicContact CD2-CG1 4.3Å; L322-V351 HydrophobicContact CG-CG1 4.43Å
323	F	98.6	Very high	96.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	142.6	169.7	-70.7	-70.3	0	0	0	110.8	A272 L273 T275 F278 Y287 M295 N325 V343 A347 V348	A272-F323 HydrophobicContact CB-CB 4.37Å; A272-F323 WeakPolarHBondContact CB-O 3.46Å; A272-F323 PolarHBondContact N-O 3.45Å; L273-F323 PolarHBondContact O-N 3.28Å; T275-F323 HydrophobicContact CG2-CD2 4.33Å; T275-F323 HydrophobicContact CG2-CE1 4.32Å; T275-F323 HydrophobicContact CG2-CE2 3.83Å; T275-F323 HydrophobicContact CG2-CZ 3.82Å; F278-F323 HydrophobicContact CB-CD2 4.3Å; F278-F323 HydrophobicContact CB-CE2 3.79Å; F278-F323 HydrophobicContact CD1-CE2 4.46Å; F278-F323 HydrophobicContact CD2-CE2 4.44Å; F278-F323 AromaticContact CG-CE2 3.98Å; F278-F323 HydrophobicContact CG-CE2 3.98Å; Y287-F323 HydrophobicContact CE1-CE2 4.41Å; Y287-F323 AromaticContact CE1-CZ 3.85Å; Y287-F323 HydrophobicContact CE1-CZ 3.85Å; M295-F323 HydrophobicContact SD-CE1 3.66Å; M295-F323 HydrophobicContact SD-CZ 3.78Å; F323-N325 VanDerWaalsContact C-N 3.3Å; F323-V343 HydrophobicContact CD1-CG2 4.4Å; F323-V343 HydrophobicContact CE1-CG1 3.98Å; F323-V343 HydrophobicContact CE1-CG2 4.37Å; F323-V343 HydrophobicContact CZ-CG1 4.08Å; F323-A347 WeakPolarHBondContact CA-O 3.43Å; F323-V348 HydrophobicContact CD1-CG1 3.76Å; F323-V348 HydrophobicContact CE1-CG1 3.95Å
324	V	97.8	Very high	96	Very high	59 Å²	59	45.9 Å²	45.9	36%	0.358	24%	0.24	S	C	.	.	S	Bend	trans	-67	-37.9	167.9	178.3	0	0	0	0	110	L271 A347 R349	L271-V324 HydrophobicContact CD2-CG2 4.37Å; V324-A347 HydrophobicContact CB-CB 4.18Å; V324-A347 HydrophobicContact CG2-CB 4.09Å; V324-A347 PolarHBondContact N-O 3Å; V324-R349 HydrophobicContact CG2-CG 4.13Å
325	N	95.8	Very high	95.4	Very high	70 Å²	70	54.2 Å²	54.2	37%	0.374	28%	0.279	S	S	.	.			trans	-144.7	128.9	168.5	-178.2	-5.5	0	0	0	108.7	F323 D327	F323-N325 VanDerWaalsContact C-N 3.3Å; N325-D327 PolarHBondContact ND2-OD2 2.81Å; N325-D327 WeakPolarHBondContact OD1-CB 3.42Å; N325-D327 PolarHBondContact OD1-N 2.97Å; N325-D327 PolarHBondContact OD1-OD2 2.87Å
326	S	95.8	Very high	94.8	Very high	21 Å²	21	58.5 Å²	58.5	15%	0.147	30%	0.297	C	S	.	.			trans	-100.1	16.5	179.7	66.1	0	0	0	0	114	A272 F328	A272-S326 WeakPolarHBondContact CB-OG 3.45Å; S326-F328 PolarHBondContact O-N 3.37Å
327	D	96.7	Very high	94.3	Very high	84 Å²	84	66.2 Å²	66.2	45%	0.449	33%	0.33	S	S	.	.			trans	-51.8	133.2	171.3	-81	-31.4	0	0	0	111.1	N325 K344	N325-D327 PolarHBondContact ND2-OD2 2.81Å; N325-D327 WeakPolarHBondContact OD1-CB 3.42Å; N325-D327 PolarHBondContact OD1-N 2.97Å; N325-D327 PolarHBondContact OD1-OD2 2.87Å; D327-K344 HydrophobicContact CB-CD 4.04Å; D327-K344 WeakPolarHBondContact O-CB 3.2Å; D327-K344 WeakPolarHBondContact O-CG 3.11Å; D327-K344 PolarHBondContact O-N 3.42Å
328	F	96	Very high	93.8	Very high	77 Å²	77	67.4 Å²	67.4	34%	0.338	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159.2	-177.2	60.5	-89.6	0	0	0	113.1	F278 S326 M330 R341 T342 K344	F278-F328 HydrophobicContact CE2-CB 3.96Å; F278-F328 HydrophobicContact CE2-CD1 4.14Å; F278-F328 HydrophobicContact CE2-CG 4.37Å; F278-F328 HydrophobicContact CZ-CB 3.93Å; S326-F328 PolarHBondContact O-N 3.37Å; F328-M330 HydrophobicContact CE2-CE 4.14Å; F328-R341 HydrophobicContact CB-CB 4.28Å; F328-R341 HydrophobicContact CD2-CB 3.87Å; F328-R341 HydrophobicContact CD2-CG 3.78Å; F328-R341 HydrophobicContact CE2-CB 4.48Å; F328-R341 HydrophobicContact CE2-CG 3.89Å; F328-R341 HydrophobicContact CG-CB 4.15Å; F328-R341 HydrophobicContact CG-CG 4.37Å; F328-T342 CarbonylContact C-O 3.41Å; F328-T342 WeakPolarHBondContact CA-O 3.43Å; F328-T342 WeakPolarHBondContact CB-O 3.48Å; F328-K344 VanDerWaalsContact O-CE 3.22Å; F328-K344 WeakPolarHBondContact O-CE 3.07Å
329	T	95.4	Very high	93.4	Very high	63 Å²	63	73.1 Å²	73.1	39%	0.387	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	146.4	158.8	52.2	0	0	0	0	109	R341 T342 K344	T329-R341 WeakPolarHBondContact O-CA 3.32Å; T329-T342 PolarHBondContact N-O 2.79Å; T329-T342 PolarHBondContact O-N 2.89Å; T329-T342 PolarHBondContact OG1-O 2.78Å; T329-K344 HydrophobicContact CG2-CG 4.11Å
330	M	93.9	Very high	93.1	Very high	85 Å²	85	71.6 Å²	71.6	42%	0.419	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.2	170.5	-165.3	70.1	92.3	0	0	108.7	F328 E339 R341	F328-M330 HydrophobicContact CE2-CE 4.14Å; M330-E339 HydrophobicContact CE-CB 4.5Å; M330-E339 HydrophobicContact CG-CB 4.13Å; M330-E339 HydrophobicContact CG-CG 4.43Å; M330-E339 HydrophobicContact SD-CB 3.79Å; M330-R341 HydrophobicContact CE-CG 3.86Å; M330-R341 HydrophobicContact SD-CB 4.46Å; M330-R341 HydrophobicContact SD-CG 3.6Å
331	T	92.4	Very high	92.8	Very high	70 Å²	70	73.8 Å²	73.8	43%	0.429	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146	174.5	59.3	0	0	0	0	110.1	E339 E340	T331-E339 CarbonylContact O-C 3.58Å; T331-E339 WeakPolarHBondContact O-CA 3.42Å; T331-E340 PolarHBondContact N-O 3.42Å; T331-E340 PolarHBondContact O-N 3.2Å; T331-E340 PolarHBondContact OG1-O 2.94Å
332	Y	91.3	Very high	92.6	Very high	132 Å²	132	76.3 Å²	76.3	52%	0.518	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	113.1	175.4	-173.6	-99.6	0	0	0	110	V334 K337 E339	Y332-V334 HydrophobicContact CD1-CG2 4.08Å; Y332-V334 HydrophobicContact CE1-CG2 4.45Å; Y332-V334 PolarHBondContact O-N 3.33Å; Y332-K337 VanDerWaalsContact OH-CA 3.26Å; Y332-K337 WeakPolarHBondContact OH-CA 3.46Å; Y332-K337 PolarHBondContact OH-O 3.08Å; Y332-E339 HydrophobicContact CD2-CG 4.2Å
333	N	87.2	Confident	92.4	Very high	32 Å²	32	75 Å²	75	17%	0.171	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	104.5	173.6	-171.7	-47.3	0	0	0	109.2	E335 K336 K337 R338 E340	N333-E335 VanDerWaalsContact C-N 3.34Å; N333-E335 PolarHBondContact O-N 3.04Å; N333-E335 PolarHBondContact OD1-N 2.95Å; N333-K336 HydrophobicContact CB-CB 4.32Å; N333-K336 PolarHBondContact OD1-N 3.02Å; N333-K337 VanDerWaalsContact O-CA 3.27Å; N333-K337 WeakPolarHBondContact O-CA 2.99Å; N333-K337 PolarHBondContact O-N 3.07Å; N333-R338 PolarHBondContact N-O 2.94Å; N333-R338 PolarHBondContact O-N 3.11Å; N333-E340 HydrophobicContact CB-CG 3.88Å; N333-E340 WeakPolarHBondContact CB-OE2 3.44Å; N333-E340 PolarHBondContact ND2-OE2 3.32Å
334	V	89.4	Confident	92.2	Very high	112 Å²	112	81.5 Å²	81.5	68%	0.679	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-37.6	-176.3	-179.7	0	0	0	0	112.3	Y332 K337	Y332-V334 HydrophobicContact CD1-CG2 4.08Å; Y332-V334 HydrophobicContact CE1-CG2 4.45Å; Y332-V334 PolarHBondContact O-N 3.33Å; V334-K337 WeakPolarHBondContact O-CG 3.42Å
335	E	85.6	Confident	92.2	Very high	177 Å²	177	81.2 Å²	81.2	83%	0.827	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-46.2	-178.6	-58.4	-176.3	157.8	0	0	111.4	N333 K337	N333-E335 VanDerWaalsContact C-N 3.34Å; N333-E335 PolarHBondContact O-N 3.04Å; N333-E335 PolarHBondContact OD1-N 2.95Å; E335-K337 VanDerWaalsContact C-N 3.34Å
336	K	84.6	Confident	92.3	Very high	107 Å²	107	78.9 Å²	78.9	47%	0.465	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.2	-179.3	-55.6	-177.7	-158.8	157.7	0	113.3	N333 R338 E340	N333-K336 HydrophobicContact CB-CB 4.32Å; N333-K336 PolarHBondContact OD1-N 3.02Å; K336-R338 VanDerWaalsContact C-N 3.3Å; K336-R338 HydrophobicContact CB-CG 3.98Å; K336-R338 VanDerWaalsContact CD-CZ 3.42Å; K336-R338 PolarHBondContact O-N 3.4Å; K336-E340 IonicContact NZ-OE1 2.76Å; K336-E340 PolarHBondContact NZ-OE1 3.38Å; K336-E340 IonicContact NZ-OE2 3.12Å
337	K	89.2	Confident	92.4	Very high	161 Å²	161	79.1 Å²	79.1	70%	0.7	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	40.2	179.8	-59.7	-176.4	179.6	-177.6	0	114.3	Y332 N333 V334 E335	Y332-K337 VanDerWaalsContact OH-CA 3.26Å; Y332-K337 WeakPolarHBondContact OH-CA 3.46Å; Y332-K337 PolarHBondContact OH-O 3.08Å; N333-K337 VanDerWaalsContact O-CA 3.27Å; N333-K337 WeakPolarHBondContact O-CA 2.99Å; N333-K337 PolarHBondContact O-N 3.07Å; V334-K337 WeakPolarHBondContact O-CG 3.42Å; E335-K337 VanDerWaalsContact C-N 3.34Å
338	R	87.8	Confident	92.5	Very high	51 Å²	51	75.3 Å²	75.3	19%	0.192	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	157.1	-175.8	70.3	-172.3	-176.6	-164.1	5.5	111.9	D77 N333 K336 E340	D77-R338 IonicContact OD2-NH1 3.9Å; D77-R338 PolarHBondContact OD2-NH1 3.45Å; D77-R338 VanDerWaalsContact OD2-NH1 3.12Å; N333-R338 PolarHBondContact N-O 2.94Å; N333-R338 PolarHBondContact O-N 3.11Å; K336-R338 VanDerWaalsContact C-N 3.3Å; K336-R338 HydrophobicContact CB-CG 3.98Å; K336-R338 VanDerWaalsContact CD-CZ 3.42Å; K336-R338 PolarHBondContact O-N 3.4Å; R338-E340 HydrophobicContact CG-CG 4.05Å; R338-E340 IonicContact CZ-OE1 3.88Å; R338-E340 VanDerWaalsContact CZ-OE1 3.24Å; R338-E340 IonicContact NE-OE1 2.73Å; R338-E340 PolarHBondContact NE-OE1 2.83Å; R338-E340 IonicContact NH2-OE1 3.6Å; R338-E340 PolarHBondContact NH2-OE1 3.41Å
339	E	90.3	Very high	92.6	Very high	121 Å²	121	73.3 Å²	73.3	57%	0.565	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	138.8	168	-62.6	-176.6	166.1	0	0	110.2	M330 T331 Y332	M330-E339 HydrophobicContact CE-CB 4.5Å; M330-E339 HydrophobicContact CG-CB 4.13Å; M330-E339 HydrophobicContact CG-CG 4.43Å; M330-E339 HydrophobicContact SD-CB 3.79Å; T331-E339 CarbonylContact O-C 3.58Å; T331-E339 WeakPolarHBondContact O-CA 3.42Å; Y332-E339 HydrophobicContact CD2-CG 4.2Å
340	E	90.6	Very high	92.8	Very high	33 Å²	33	70.5 Å²	70.5	15%	0.154	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.1	176.9	-52.4	-165.1	132.4	0	0	108.4	L285 T331 N333 K336 R338	L285-E340 HydrophobicContact CD1-CB 4.1Å; L285-E340 HydrophobicContact CD1-CG 3.65Å; T331-E340 PolarHBondContact N-O 3.42Å; T331-E340 PolarHBondContact O-N 3.2Å; T331-E340 PolarHBondContact OG1-O 2.94Å; N333-E340 HydrophobicContact CB-CG 3.88Å; N333-E340 WeakPolarHBondContact CB-OE2 3.44Å; N333-E340 PolarHBondContact ND2-OE2 3.32Å; K336-E340 IonicContact NZ-OE1 2.76Å; K336-E340 PolarHBondContact NZ-OE1 3.38Å; K336-E340 IonicContact NZ-OE2 3.12Å; R338-E340 HydrophobicContact CG-CG 4.05Å; R338-E340 IonicContact CZ-OE1 3.88Å; R338-E340 VanDerWaalsContact CZ-OE1 3.24Å; R338-E340 IonicContact NE-OE1 2.73Å; R338-E340 PolarHBondContact NE-OE1 2.83Å; R338-E340 IonicContact NH2-OE1 3.6Å; R338-E340 PolarHBondContact NH2-OE1 3.41Å
341	R	93.4	Very high	93	Very high	59 Å²	59	67.4 Å²	67.4	22%	0.223	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	136.4	174.8	-55.2	179.7	-174.2	-169.5	8.7	109.6	F278 E281 N282 F328 T329 M330	F278-R341 HydrophobicContact CZ-CB 4.12Å; E281-R341 IonicContact OE2-CZ 3.87Å; E281-R341 IonicContact OE2-NH1 2.78Å; E281-R341 PolarHBondContact OE2-NH1 2.99Å; E281-R341 IonicContact OE2-NH2 3.64Å; N282-R341 HydrophobicContact CB-CB 4.35Å; N282-R341 PolarHBondContact ND2-O 3.41Å; N282-R341 VanDerWaalsContact OD1-CB 3.26Å; N282-R341 WeakPolarHBondContact OD1-CB 3.49Å; N282-R341 WeakPolarHBondContact OD1-CG 3.2Å; N282-R341 PolarHBondContact OD1-N 2.77Å; F328-R341 HydrophobicContact CB-CB 4.28Å; F328-R341 HydrophobicContact CD2-CB 3.87Å; F328-R341 HydrophobicContact CD2-CG 3.78Å; F328-R341 HydrophobicContact CE2-CB 4.48Å; F328-R341 HydrophobicContact CE2-CG 3.89Å; F328-R341 HydrophobicContact CG-CB 4.15Å; F328-R341 HydrophobicContact CG-CG 4.37Å; T329-R341 WeakPolarHBondContact O-CA 3.32Å; M330-R341 HydrophobicContact CE-CG 3.86Å; M330-R341 HydrophobicContact SD-CB 4.46Å; M330-R341 HydrophobicContact SD-CG 3.6Å
342	T	93.7	Very high	93.1	Very high	54 Å²	54	66.1 Å²	66.1	33%	0.331	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117.1	174.7	-58.4	0	0	0	0	108.8	Q291 F328 T329 K344	Q291-T342 VanDerWaalsContact NE2-CG2 3.31Å; F328-T342 CarbonylContact C-O 3.41Å; F328-T342 WeakPolarHBondContact CA-O 3.43Å; F328-T342 WeakPolarHBondContact CB-O 3.48Å; T329-T342 PolarHBondContact N-O 2.79Å; T329-T342 PolarHBondContact O-N 2.89Å; T329-T342 PolarHBondContact OG1-O 2.78Å; T342-K344 PolarHBondContact O-N 3.46Å
343	V	95.3	Very high	93.4	Very high	6 Å²	6	60 Å²	60	4%	0.036	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	132.8	177	73	0	0	0	0	110.2	F278 Q291 F323 S345 T346	F278-V343 HydrophobicContact CE1-CB 4.24Å; F278-V343 HydrophobicContact CE2-CB 4.01Å; F278-V343 HydrophobicContact CE2-CG2 4.21Å; F278-V343 HydrophobicContact CZ-CB 3.75Å; F278-V343 HydrophobicContact CZ-CG2 4.45Å; Q291-V343 PolarHBondContact NE2-O 3.14Å; F323-V343 HydrophobicContact CD1-CG2 4.4Å; F323-V343 HydrophobicContact CE1-CG1 3.98Å; F323-V343 HydrophobicContact CE1-CG2 4.37Å; F323-V343 HydrophobicContact CZ-CG1 4.08Å; V343-S345 WeakPolarHBondContact CG2-O 3.14Å; V343-T346 HydrophobicContact CG1-CG2 3.67Å
344	K	95.1	Very high	93.8	Very high	138 Å²	138	59.8 Å²	59.8	60%	0.6	30%	0.301	S	S	*	.	S	Bend	trans	-72.9	-29	-176.6	-67.1	178.2	-169.1	159.3	0	112.9	D327 F328 T329 T342	D327-K344 HydrophobicContact CB-CD 4.04Å; D327-K344 WeakPolarHBondContact O-CB 3.2Å; D327-K344 WeakPolarHBondContact O-CG 3.11Å; D327-K344 PolarHBondContact O-N 3.42Å; F328-K344 VanDerWaalsContact O-CE 3.22Å; F328-K344 WeakPolarHBondContact O-CE 3.07Å; T329-K344 HydrophobicContact CG2-CG 4.11Å; T342-K344 PolarHBondContact O-N 3.46Å
345	S	96.8	Very high	94.1	Very high	53 Å²	53	57 Å²	57	37%	0.371	29%	0.286	S	S	.	.			trans	-134.1	126.3	177.2	179.4	0	0	0	0	109.4	V343 A347	V343-S345 WeakPolarHBondContact CG2-O 3.14Å; S345-A347 VanDerWaalsContact C-N 3.29Å; S345-A347 PolarHBondContact OG-N 2.58Å
346	T	97.4	Very high	94.6	Very high	21 Å²	21	49.1 Å²	49.1	13%	0.129	25%	0.251	C	S	.	.			trans	-93.4	19	174.7	41.6	0	0	0	0	112.8	Q291 H294 M295 Q298 V343 V348	Q291-T346 HydrophobicContact CB-CG2 3.73Å; Q291-T346 HydrophobicContact CG-CG2 3.63Å; H294-T346 PolarHBondContact ND1-OG1 2.92Å; M295-T346 HydrophobicContact CG-CG2 4.17Å; M295-T346 HydrophobicContact SD-CG2 4.35Å; Q298-T346 PolarHBondContact NE2-O 3.21Å; V343-T346 HydrophobicContact CG1-CG2 3.67Å; T346-V348 PolarHBondContact O-N 2.96Å
347	A	98.3	Very high	95.2	Very high	25 Å²	25	44.8 Å²	44.8	21%	0.207	23%	0.234	C	C	.	.			trans	-65.2	123.2	173.2	0	0	0	0	0	110.4	F323 V324 S345	F323-A347 WeakPolarHBondContact CA-O 3.43Å; V324-A347 HydrophobicContact CB-CB 4.18Å; V324-A347 HydrophobicContact CG2-CB 4.09Å; V324-A347 PolarHBondContact N-O 3Å; S345-A347 VanDerWaalsContact C-N 3.29Å; S345-A347 PolarHBondContact OG-N 2.58Å
348	V	98.6	Very high	95.6	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.024	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	167.5	-175.6	-67.6	0	0	0	0	113.4	T275 M295 Q298 I321 L322 F323 T346	T275-V348 HydrophobicContact CG2-CG1 4.25Å; M295-V348 HydrophobicContact CG-CG1 4.24Å; M295-V348 HydrophobicContact SD-CG1 4.3Å; Q298-V348 HydrophobicContact CB-CG2 3.82Å; I321-V348 HydrophobicContact CG2-CB 3.92Å; I321-V348 HydrophobicContact CG2-CG1 4.09Å; I321-V348 HydrophobicContact CG2-CG2 4.22Å; L322-V348 CarbonylContact O-C 3.59Å; L322-V348 WeakPolarHBondContact O-CA 3.37Å; L322-V348 WeakPolarHBondContact O-CB 3.29Å; F323-V348 HydrophobicContact CD1-CG1 3.76Å; F323-V348 HydrophobicContact CE1-CG1 3.95Å; T346-V348 PolarHBondContact O-N 2.96Å
349	R	98.6	Very high	96	Very high	36 Å²	36	39 Å²	39	14%	0.136	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.6	167.6	-65.2	-66	179.5	-101	12.1	111	N247 L250 E269 L271 I321 L322 V324 V351	N247-R349 PolarHBondContact ND2-NE 3.41Å; N247-R349 VanDerWaalsContact ND2-NE 3.14Å; N247-R349 PolarHBondContact ND2-NH2 2.68Å; L250-R349 VanDerWaalsContact O-CA 3.24Å; L250-R349 WeakPolarHBondContact O-CA 3.49Å; L250-R349 WeakPolarHBondContact O-CD 3.11Å; E269-R349 IonicContact OE1-NE 3.96Å; E269-R349 IonicContact OE2-NE 3.13Å; L271-R349 HydrophobicContact CD1-CB 3.66Å; L271-R349 HydrophobicContact CD1-CG 3.9Å; L271-R349 HydrophobicContact CD2-CB 4.35Å; L271-R349 HydrophobicContact CD2-CG 3.71Å; L271-R349 HydrophobicContact CG-CG 4.48Å; I321-R349 WeakPolarHBondContact CA-O 3.44Å; L322-R349 PolarHBondContact N-O 3.21Å; L322-R349 PolarHBondContact O-N 2.94Å; V324-R349 HydrophobicContact CG2-CG 4.13Å; R349-V351 HydrophobicContact CB-CG1 4.43Å
350	V	98.8	Very high	96.1	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	132.6	165.5	-178.9	0	0	0	0	109	L250 V252 L299 A302 L316 F353	L250-V350 PolarHBondContact O-N 3.19Å; V252-V350 PolarHBondContact N-O 3.07Å; L299-V350 HydrophobicContact CD1-CG2 3.85Å; A302-V350 HydrophobicContact CB-CG2 3.71Å; L316-V350 HydrophobicContact CD2-CG1 3.94Å; V350-F353 HydrophobicContact CB-CZ 4.49Å; V350-F353 HydrophobicContact CG1-CZ 4.1Å
351	V	98.4	Very high	96.2	Very high	20 Å²	20	42.6 Å²	42.6	12%	0.121	23%	0.23	C	C	.	.			trans	-131	172.9	-176.2	-39.3	0	0	0	0	111.7	V252 L271 H313 N320 L322 R349	V252-V351 HydrophobicContact CB-CB 4.4Å; V252-V351 HydrophobicContact CB-CG1 4.05Å; V252-V351 HydrophobicContact CG1-CB 4.23Å; V252-V351 HydrophobicContact CG1-CG1 4.42Å; V252-V351 HydrophobicContact CG2-CG1 4.48Å; L271-V351 HydrophobicContact CD1-CG1 3.81Å; H313-V351 PolarHBondContact NE2-O 3Å; N320-V351 HydrophobicContact CB-CG2 4.44Å; N320-V351 PolarHBondContact O-N 3.46Å; L322-V351 HydrophobicContact CB-CG1 4.24Å; L322-V351 HydrophobicContact CD1-CG1 4.08Å; L322-V351 HydrophobicContact CD1-CG2 3.65Å; L322-V351 HydrophobicContact CD2-CG1 4.3Å; L322-V351 HydrophobicContact CG-CG1 4.43Å; R349-V351 HydrophobicContact CB-CG1 4.43Å
352	D	95.9	Very high	96.1	Very high	44 Å²	44	46.7 Å²	46.7	24%	0.235	25%	0.251	C	S	.	.			trans	65.1	65.4	175.2	-165.4	34.2	0	0	0	115.2	K218 N320 G354	K218-D352 IonicContact NZ-OD1 2.86Å; K218-D352 PolarHBondContact NZ-OD1 3.37Å; N320-D352 PolarHBondContact ND2-OD2 3.11Å; D352-G354 PolarHBondContact O-N 3.45Å; D352-G354 VanDerWaalsContact O-N 3.14Å
353	F	97.3	Very high	96.1	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-76.6	11.4	176.4	-66.3	-85.2	0	0	0	113.9	E233 V236 L237 I240 C251 V252 L306 H313 V350 S355 A356	E233-F353 HydrophobicContact CG-CB 4.43Å; V236-F353 HydrophobicContact CG1-CB 3.91Å; V236-F353 HydrophobicContact CG1-CD1 4.11Å; V236-F353 HydrophobicContact CG1-CG 4.25Å; L237-F353 HydrophobicContact CD2-CD2 3.72Å; L237-F353 HydrophobicContact CD2-CE2 4.41Å; L237-F353 HydrophobicContact CD2-CG 4.36Å; I240-F353 HydrophobicContact CD1-CD1 3.55Å; I240-F353 HydrophobicContact CD1-CD2 4.2Å; I240-F353 HydrophobicContact CD1-CE1 3.44Å; I240-F353 VanDerWaalsContact CD1-CE1 3.44Å; I240-F353 HydrophobicContact CD1-CE2 4.1Å; I240-F353 HydrophobicContact CD1-CG 3.95Å; I240-F353 HydrophobicContact CD1-CZ 3.74Å; C251-F353 HydrophobicContact CB-CE2 4.27Å; C251-F353 HydrophobicContact CB-CZ 3.88Å; V252-F353 HydrophobicContact CG1-CD2 4.34Å; V252-F353 HydrophobicContact CG1-CE2 4.1Å; L306-F353 HydrophobicContact CD1-CE1 3.8Å; L306-F353 HydrophobicContact CD2-CE1 3.7Å; L306-F353 HydrophobicContact CD2-CZ 4.33Å; L306-F353 HydrophobicContact CG-CE1 4.42Å; H313-F353 AromaticContact CD2-CD1 3.96Å; H313-F353 AromaticContact CD2-CE1 3.76Å; V350-F353 HydrophobicContact CB-CZ 4.49Å; V350-F353 HydrophobicContact CG1-CZ 4.1Å; F353-S355 PolarHBondContact O-N 2.99Å; F353-A356 HydrophobicContact CB-CB 4.22Å; F353-A356 HydrophobicContact CD1-CB 4.15Å; F353-A356 WeakPolarHBondContact O-CB 3.36Å; F353-A356 PolarHBondContact O-N 2.97Å
354	G	94.5	Very high	95.9	Very high	29 Å²	29	49.3 Å²	49.3	30%	0.299	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-66.4	-15.8	-176.5	0	0	0	0	0	115.4	D352	D352-G354 PolarHBondContact O-N 3.45Å; D352-G354 VanDerWaalsContact O-N 3.14Å
355	S	95.2	Very high	95.8	Very high	52 Å²	52	46.7 Å²	46.7	36%	0.364	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-111.3	4.3	172.5	-56.6	0	0	0	0	113.4	H313 T314 F353 T357	H313-S355 CarbonylContact O-C 3.58Å; T314-S355 WeakPolarHBondContact OG1-CB 3.39Å; T314-S355 PolarHBondContact OG1-O 3.04Å; F353-S355 PolarHBondContact O-N 2.99Å; S355-T357 PolarHBondContact O-OG1 3.16Å
356	A	97.4	Very high	95.6	Very high	12 Å²	12	47.2 Å²	47.2	10%	0.099	26%	0.26	C	S	.	.			trans	-68.9	138.8	-178.6	0	0	0	0	0	110.4	V236 L311 T312 F353	V236-A356 HydrophobicContact CG1-CB 4.19Å; V236-A356 HydrophobicContact CG2-CB 4.49Å; L311-A356 HydrophobicContact CD1-CB 3.84Å; L311-A356 HydrophobicContact CG-CB 4.27Å; T312-A356 CarbonylContact O-C 3.3Å; T312-A356 VanDerWaalsContact O-CA 3.24Å; T312-A356 WeakPolarHBondContact O-CA 3.29Å; F353-A356 HydrophobicContact CB-CB 4.22Å; F353-A356 HydrophobicContact CD1-CB 4.15Å; F353-A356 WeakPolarHBondContact O-CB 3.36Å; F353-A356 PolarHBondContact O-N 2.97Å
357	T	97.2	Very high	95.5	Very high	16 Å²	16	47 Å²	47	10%	0.098	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.1	-172.2	-54.7	0	0	0	0	109.9	T312 S355 E361 W383	T312-T357 PolarHBondContact N-O 3.41Å; T312-T357 PolarHBondContact O-N 3.04Å; S355-T357 PolarHBondContact O-OG1 3.16Å; T357-E361 HydrophobicContact CG2-CB 4.03Å; T357-W383 HydrophobicContact CG2-CH2 4.07Å
358	F	97.2	Very high	95.4	Very high	27 Å²	27	46.3 Å²	46.3	12%	0.118	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	151.3	173.5	-70.4	-80.8	0	0	0	111.9	V236 K239 K310 L311 H360 E361 H363	V236-F358 HydrophobicContact CG2-CE2 3.8Å; V236-F358 HydrophobicContact CG2-CZ 4.39Å; K239-F358 HydrophobicContact CB-CZ 4.38Å; K239-F358 HydrophobicContact CG-CZ 4.45Å; K310-F358 CarbonylContact O-C 3.59Å; K310-F358 VanDerWaalsContact O-CA 3.23Å; K310-F358 WeakPolarHBondContact O-CA 3.39Å; K310-F358 WeakPolarHBondContact O-CD1 3.16Å; L311-F358 HydrophobicContact CB-CD1 4.07Å; L311-F358 HydrophobicContact CB-CE1 4.06Å; L311-F358 HydrophobicContact CD1-CD1 3.95Å; L311-F358 HydrophobicContact CD1-CD2 4.11Å; L311-F358 HydrophobicContact CD1-CE1 3.98Å; L311-F358 HydrophobicContact CD1-CE2 4.15Å; L311-F358 HydrophobicContact CD1-CG 4.01Å; L311-F358 HydrophobicContact CD1-CZ 4.08Å; L311-F358 HydrophobicContact CG-CE1 4.44Å; F358-H360 VanDerWaalsContact CB-CE1 3.5Å; F358-H360 WeakPolarHBondContact CB-CE1 3.48Å; F358-H360 AromaticContact CG-CE1 3.91Å; F358-H360 PolarHBondContact O-N 3.47Å; F358-E361 HydrophobicContact CB-CG 4.05Å; F358-E361 WeakPolarHBondContact CD2-OE2 3.48Å; F358-E361 PolarHBondContact N-OE2 3.44Å; F358-E361 WeakPolarHBondContact O-CB 3.37Å; F358-E361 PolarHBondContact O-N 3.43Å; F358-H363 PolarHBondContact O-CE1 3.5Å
359	D	96.5	Very high	95.3	Very high	65 Å²	65	48.2 Å²	48.2	35%	0.348	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-24.7	179.4	-80.1	-19.5	0	0	0	114.7	K310 H385	K310-D359 HydrophobicContact CB-CB 4.16Å; K310-D359 WeakPolarHBondContact CB-OD2 3.47Å; K310-D359 WeakPolarHBondContact CD-OD2 3.48Å; K310-D359 PolarHBondContact O-N 2.99Å; D359-H385 IonicContact OD1-CE1 2.78Å; D359-H385 PolarHBondContact OD1-CE1 3.45Å; D359-H385 IonicContact OD1-ND1 2.63Å; D359-H385 IonicContact OD1-NE2 3.43Å; D359-H385 IonicContact OD2-CE1 3.6Å; D359-H385 PolarHBondContact OD2-CE1 3.18Å
360	H	93.1	Very high	95.2	Very high	154 Å²	154	49.8 Å²	49.8	71%	0.713	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-1.9	-177.4	68.5	-80	0	0	0	114.2	F358	F358-H360 VanDerWaalsContact CB-CE1 3.5Å; F358-H360 WeakPolarHBondContact CB-CE1 3.48Å; F358-H360 AromaticContact CG-CE1 3.91Å; F358-H360 PolarHBondContact O-N 3.47Å
361	E	92.7	Very high	95.2	Very high	74 Å²	74	51.5 Å²	51.5	35%	0.346	28%	0.277	S	S	.	.	S	Bend	trans	-93.4	174.3	-178.8	-70.1	177.9	148	0	0	112.5	T357 F358 H363	T357-E361 HydrophobicContact CG2-CB 4.03Å; F358-E361 HydrophobicContact CB-CG 4.05Å; F358-E361 WeakPolarHBondContact CD2-OE2 3.48Å; F358-E361 PolarHBondContact N-OE2 3.44Å; F358-E361 WeakPolarHBondContact O-CB 3.37Å; F358-E361 PolarHBondContact O-N 3.43Å; E361-H363 PolarHBondContact O-N 3.22Å; E361-H363 PolarHBondContact O-ND1 3.02Å
362	H	91	Very high	95.2	Very high	146 Å²	146	50.7 Å²	50.7	68%	0.676	27%	0.272	S	S	*	.			trans	-69.5	116	176.8	178.5	71.6	0	0	0	111.4	S364	H362-S364 PolarHBondContact O-N 3.25Å
363	H	92	Very high	95.3	Very high	55 Å²	55	50 Å²	50	26%	0.255	27%	0.266	S	S	.	.			trans	-83.1	105.5	176.4	-70.5	52.8	0	0	0	110.6	F358 E361 W383	F358-H363 PolarHBondContact O-CE1 3.5Å; E361-H363 PolarHBondContact O-N 3.22Å; E361-H363 PolarHBondContact O-ND1 3.02Å; H363-W383 HydrophobicContact CB-CH2 4.18Å; H363-W383 HydrophobicContact CB-CZ2 3.76Å; H363-W383 AromaticContact CD2-CE3 3.89Å; H363-W383 AromaticContact CD2-CH2 3.59Å; H363-W383 AromaticContact CD2-CZ2 3.92Å; H363-W383 AromaticContact CD2-CZ3 3.57Å; H363-W383 AromaticContact CG-CH2 4Å
364	S	92.5	Very high	95.4	Very high	59 Å²	59	49.9 Å²	49.9	41%	0.413	27%	0.265	S	S	.	.			trans	-58.2	133.9	174.3	-69.7	0	0	0	0	111.7	H362 I366 W383	H362-S364 PolarHBondContact O-N 3.25Å; S364-I366 VanDerWaalsContact C-N 3.27Å; S364-I366 PolarHBondContact O-N 3.38Å; S364-W383 PolarHBondContact O-NE1 2.98Å
365	T	92.7	Very high	95.6	Very high	84 Å²	84	48.5 Å²	48.5	52%	0.515	25%	0.251	S	S	.	.	S	Bend	trans	-56.9	-37.3	-175	-52.4	0	0	0	0	114	E380	T365-E380 HydrophobicContact CG2-CB 4.29Å; T365-E380 HydrophobicContact CG2-CG 3.64Å; T365-E380 WeakPolarHBondContact CG2-OE1 3.43Å
366	I	92.5	Very high	95.7	Very high	64 Å²	64	46.1 Å²	46.1	33%	0.328	23%	0.234	S	C	.	.	S	Bend	trans	-120.3	119.4	-179.8	-57.8	-62.7	0	0	0	108.5	S364	S364-I366 VanDerWaalsContact C-N 3.27Å; S364-I366 PolarHBondContact O-N 3.38Å
367	V	96	Very high	95.8	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.097	23%	0.23	C	C	.	.			trans	-127.3	178.3	173.7	-64.4	0	0	0	0	110.4	T314 R373 V377 W383	T314-V367 HydrophobicContact CG2-CG1 4.48Å; V367-R373 PolarHBondContact O-NE 2.83Å; V367-R373 PolarHBondContact O-NH2 2.86Å; V367-V377 HydrophobicContact CG2-CG1 4.03Å; V367-V377 HydrophobicContact CG2-CG2 4.09Å; V367-W383 HydrophobicContact CB-CZ2 4.44Å; V367-W383 HydrophobicContact CG1-CH2 4.14Å; V367-W383 HydrophobicContact CG1-CZ2 3.45Å; V367-W383 VanDerWaalsContact CG1-CZ2 3.45Å; V367-W383 HydrophobicContact CG2-CD2 3.94Å; V367-W383 HydrophobicContact CG2-CE3 4.5Å; V367-W383 HydrophobicContact CG2-CG 4.21Å; V367-W383 HydrophobicContact CG2-CZ2 4.17Å
368	S	95.5	Very high	95.8	Very high	10 Å²	10	44.9 Å²	44.9	7%	0.07	23%	0.225	C	C	.	.	S	Bend	trans	64.5	141.9	-178.6	-37.5	0	0	0	0	115.6	T314 R373	T314-S368 WeakPolarHBondContact O-CA 3.22Å; T314-S368 WeakPolarHBondContact O-CB 3.26Å; T314-S368 PolarHBondContact O-N 3.03Å; T314-S368 VanDerWaalsContact O-N 3.16Å; T314-S368 PolarHBondContact O-OG 3.1Å; S368-R373 PolarHBondContact O-NE 3.08Å; S368-R373 PolarHBondContact O-NH2 3Å
369	T	96	Very high	95.9	Very high	44 Å²	44	43.6 Å²	43.6	27%	0.27	22%	0.22	S	C	.	.			trans	-56.5	135.4	162.3	-66.1	0	0	0	0	109.4	D315 K317 H371 Y372 R373	D315-T369 VanDerWaalsContact OD1-CB 3.28Å; D315-T369 WeakPolarHBondContact OD1-CB 3.26Å; D315-T369 PolarHBondContact OD1-N 2.89Å; D315-T369 PolarHBondContact OD1-OG1 2.78Å; K317-T369 HydrophobicContact CD-CG2 4.29Å; T369-H371 VanDerWaalsContact C-N 3.31Å; T369-H371 PolarHBondContact O-N 2.98Å; T369-H371 VanDerWaalsContact O-N 3.08Å; T369-Y372 HydrophobicContact CG2-CD2 4.06Å; T369-Y372 HydrophobicContact CG2-CE2 4.08Å; T369-Y372 PolarHBondContact O-N 2.95Å; T369-R373 PolarHBondContact O-N 3.26Å
370	R	96.9	Very high	95.9	Very high	70 Å²	70	43.1 Å²	43.1	26%	0.264	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-51.9	-42	-160	178.8	-178.5	-76	-79.9	2.9	114.6	Y372 R373 T408 H409 D410 N411 H414	R370-Y372 VanDerWaalsContact C-N 3.27Å; R370-Y372 PolarHBondContact O-N 3.38Å; R370-R373 WeakPolarHBondContact O-CB 3.2Å; R370-R373 PolarHBondContact O-N 3.3Å; R370-T408 WeakPolarHBondContact CD-O 3.4Å; R370-H409 PolarHBondContact NE-O 3.32Å; R370-H409 PolarHBondContact NH1-O 3.32Å; R370-H409 PolarHBondContact NH2-O 3.47Å; R370-H409 VanDerWaalsContact NH2-O 3.14Å; R370-D410 VanDerWaalsContact NH1-C 3.29Å; R370-D410 PolarHBondContact NH1-O 2.84Å; R370-N411 PolarHBondContact NH1-OD1 3.39Å; R370-H414 PolarHBondContact O-CE1 3.04Å
371	H	98.1	Very high	96.2	Very high	39 Å²	39	38.4 Å²	38.4	18%	0.181	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-71.7	-20.4	-173.5	-45	142.1	0	0	0	113.9	T369 T404 F406 H409	T369-H371 VanDerWaalsContact C-N 3.31Å; T369-H371 PolarHBondContact O-N 2.98Å; T369-H371 VanDerWaalsContact O-N 3.08Å; H371-T404 HydrophobicContact CB-CG2 3.41Å; H371-T404 VanDerWaalsContact CB-CG2 3.41Å; H371-F406 WeakPolarHBondContact CB-O 3.23Å; H371-F406 PolarHBondContact CD2-O 3.04Å; H371-H409 AromaticContact NE2-CE1 4Å
372	Y	98.7	Very high	96.3	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.012	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-104.3	2.8	-180	-44.5	-76.7	0	0	0	111.7	K317 P318 T369 R370 A374 S391 C394 I395 E398 T404	K317-Y372 HydrophobicContact CB-CD2 3.56Å; K317-Y372 HydrophobicContact CB-CE2 3.38Å; K317-Y372 HydrophobicContact CB-CG 4.28Å; P318-Y372 WeakPolarHBondContact CD-OH 3.36Å; P318-Y372 HydrophobicContact CG-CE1 4.32Å; T369-Y372 HydrophobicContact CG2-CD2 4.06Å; T369-Y372 HydrophobicContact CG2-CE2 4.08Å; T369-Y372 PolarHBondContact O-N 2.95Å; R370-Y372 VanDerWaalsContact C-N 3.27Å; R370-Y372 PolarHBondContact O-N 3.38Å; Y372-A374 PolarHBondContact O-N 3.04Å; Y372-S391 PolarHBondContact O-OG 2.79Å; Y372-C394 HydrophobicContact CD1-CB 3.76Å; Y372-C394 HydrophobicContact CE1-CB 4.5Å; Y372-I395 HydrophobicContact CD1-CG1 4.01Å; Y372-I395 HydrophobicContact CE1-CG1 4.15Å; Y372-E398 WeakPolarHBondContact CE1-OE2 3.3Å; Y372-E398 PolarHBondContact OH-OE2 2.88Å; Y372-T404 HydrophobicContact CE1-CG2 4.39Å
373	R	98.6	Very high	96.7	Very high	28 Å²	28	31.6 Å²	31.6	11%	0.106	18%	0.176	C	C	.	.			trans	-75.8	122.7	-172.8	-174.9	-179.2	-67.3	154.4	2.3	112.4	V367 S368 T369 R370 V377 I378	V367-R373 PolarHBondContact O-NE 2.83Å; V367-R373 PolarHBondContact O-NH2 2.86Å; S368-R373 PolarHBondContact O-NE 3.08Å; S368-R373 PolarHBondContact O-NH2 3Å; T369-R373 PolarHBondContact O-N 3.26Å; R370-R373 WeakPolarHBondContact O-CB 3.2Å; R370-R373 PolarHBondContact O-N 3.3Å; R373-V377 HydrophobicContact CG-CB 3.76Å; R373-V377 HydrophobicContact CG-CG1 3.82Å; R373-V377 HydrophobicContact CG-CG2 4.47Å; R373-I378 HydrophobicContact CG-CG1 4.01Å
374	A	98.7	Very high	97	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.177	C	C	.	.			trans	-64.3	150.2	178.9	0	0	0	0	0	113.9	Y372 E376 V377 I378 C387 W390	Y372-A374 PolarHBondContact O-N 3.04Å; A374-E376 VanDerWaalsContact C-N 3.31Å; A374-E376 VanDerWaalsContact CB-CD 3.44Å; A374-E376 HydrophobicContact CB-CG 4.49Å; A374-E376 VanDerWaalsContact CB-OE1 3.31Å; A374-E376 WeakPolarHBondContact CB-OE1 3.5Å; A374-E376 WeakPolarHBondContact CB-OE2 3.39Å; A374-E376 PolarHBondContact O-N 3.06Å; A374-V377 HydrophobicContact CB-CG2 4.33Å; A374-V377 WeakPolarHBondContact O-CB 3.33Å; A374-V377 PolarHBondContact O-N 2.97Å; A374-I378 PolarHBondContact O-N 2.93Å; A374-C387 HydrophobicContact CB-CB 3.98Å; A374-W390 HydrophobicContact CB-CB 3.7Å; A374-W390 HydrophobicContact CB-CD2 4.26Å; A374-W390 HydrophobicContact CB-CG 3.71Å
375	P	98.6	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-34.2	-175.4	23	-34	0	0	0	113.2	V377 I378 L379 W390 M418 M429 Y487	P375-V377 VanDerWaalsContact C-N 3.25Å; P375-V377 PolarHBondContact O-N 3.3Å; P375-I378 PolarHBondContact O-N 3.39Å; P375-L379 VanDerWaalsContact O-CB 3.26Å; P375-L379 WeakPolarHBondContact O-CB 3.14Å; P375-L379 VanDerWaalsContact O-CG 3.22Å; P375-L379 WeakPolarHBondContact O-CG 3.49Å; P375-L379 PolarHBondContact O-N 2.84Å; P375-W390 VanDerWaalsContact CD-CD2 3.48Å; P375-W390 VanDerWaalsContact CD-CE3 3.41Å; P375-W390 VanDerWaalsContact CD-CZ3 3.47Å; P375-W390 HydrophobicContact CG-CE3 4Å; P375-W390 HydrophobicContact CG-CH2 3.87Å; P375-W390 HydrophobicContact CG-CZ2 4.41Å; P375-W390 HydrophobicContact CG-CZ3 3.63Å; P375-M418 HydrophobicContact CB-CE 4.42Å; P375-M418 HydrophobicContact CB-SD 3.92Å; P375-M429 HydrophobicContact CB-CE 4.24Å; P375-M429 HydrophobicContact CG-CE 4.31Å; P375-Y487 HydrophobicContact CB-CD1 4Å; P375-Y487 HydrophobicContact CB-CE1 4.48Å; P375-Y487 HydrophobicContact CG-CD1 3.87Å
376	E	98.6	Very high	97.5	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-28.8	176	66.8	-84.6	-161.7	0	0	113.5	A374 E380 L381 W383 M429 P489 R492	A374-E376 VanDerWaalsContact C-N 3.31Å; A374-E376 VanDerWaalsContact CB-CD 3.44Å; A374-E376 HydrophobicContact CB-CG 4.49Å; A374-E376 VanDerWaalsContact CB-OE1 3.31Å; A374-E376 WeakPolarHBondContact CB-OE1 3.5Å; A374-E376 WeakPolarHBondContact CB-OE2 3.39Å; A374-E376 PolarHBondContact O-N 3.06Å; E376-E380 PolarHBondContact O-N 3.37Å; E376-E380 VanDerWaalsContact O-N 3.09Å; E376-L381 HydrophobicContact CB-CB 4.17Å; E376-L381 PolarHBondContact O-N 3.4Å; E376-W383 HydrophobicContact CG-CB 4.3Å; E376-M429 HydrophobicContact CB-CE 4.38Å; E376-P489 HydrophobicContact CB-CG 3.77Å; E376-P489 HydrophobicContact CG-CG 3.64Å; E376-R492 IonicContact OE1-CZ 3.1Å; E376-R492 IonicContact OE1-NH1 3.62Å; E376-R492 PolarHBondContact OE1-NH1 3.3Å; E376-R492 IonicContact OE1-NH2 2.62Å; E376-R492 IonicContact OE2-CZ 3.6Å; E376-R492 IonicContact OE2-NH1 3.25Å; E376-R492 PolarHBondContact OE2-NH1 3.41Å; E376-R492 IonicContact OE2-NH2 2.71Å; E376-R492 PolarHBondContact OE2-NH2 2.97Å
377	V	98.4	Very high	97.8	Very high	1 Å²	1	24 Å²	24	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-75	-46	174.7	-174.7	0	0	0	0	109.8	V367 R373 A374 P375 L379 E380 W383 C387	V367-V377 HydrophobicContact CG2-CG1 4.03Å; V367-V377 HydrophobicContact CG2-CG2 4.09Å; R373-V377 HydrophobicContact CG-CB 3.76Å; R373-V377 HydrophobicContact CG-CG1 3.82Å; R373-V377 HydrophobicContact CG-CG2 4.47Å; A374-V377 HydrophobicContact CB-CG2 4.33Å; A374-V377 WeakPolarHBondContact O-CB 3.33Å; A374-V377 PolarHBondContact O-N 2.97Å; P375-V377 VanDerWaalsContact C-N 3.25Å; P375-V377 PolarHBondContact O-N 3.3Å; V377-L379 PolarHBondContact O-N 2.84Å; V377-E380 PolarHBondContact O-N 3.37Å; V377-E380 VanDerWaalsContact O-N 3.15Å; V377-W383 HydrophobicContact CG2-CB 3.85Å; V377-W383 HydrophobicContact CG2-CG 4.05Å; V377-C387 HydrophobicContact CG2-CB 4.34Å
378	I	98.3	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.7	-37.5	176.7	-58.8	171.9	0	0	0	111.2	R373 A374 P375 N411 H414 L415 M418	R373-I378 HydrophobicContact CG-CG1 4.01Å; A374-I378 PolarHBondContact O-N 2.93Å; P375-I378 PolarHBondContact O-N 3.39Å; I378-N411 HydrophobicContact CG2-CB 3.93Å; I378-H414 HydrophobicContact CD1-CB 4.31Å; I378-H414 VanDerWaalsContact CD1-ND1 3.34Å; I378-H414 WeakPolarHBondContact CD1-ND1 3.4Å; I378-L415 HydrophobicContact CG2-CD1 4.17Å; I378-L415 HydrophobicContact CG2-CD2 4.32Å; I378-L415 HydrophobicContact CG2-CG 4.12Å; I378-M418 HydrophobicContact CD1-CE 3.49Å; I378-M418 VanDerWaalsContact CD1-CE 3.49Å
379	L	98.2	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	2.3	-179.1	-63.8	176.9	0	0	0	113.9	P375 V377 L381 L415 V425 M429 T433 F439	P375-L379 VanDerWaalsContact O-CB 3.26Å; P375-L379 WeakPolarHBondContact O-CB 3.14Å; P375-L379 VanDerWaalsContact O-CG 3.22Å; P375-L379 WeakPolarHBondContact O-CG 3.49Å; P375-L379 PolarHBondContact O-N 2.84Å; V377-L379 PolarHBondContact O-N 2.84Å; L379-L381 VanDerWaalsContact C-N 3.26Å; L379-L381 HydrophobicContact CB-CD1 3.89Å; L379-L381 HydrophobicContact CB-CG 3.86Å; L379-L381 HydrophobicContact CD1-CD1 4.2Å; L379-L381 PolarHBondContact O-N 3.14Å; L379-L415 HydrophobicContact CD2-CD1 3.9Å; L379-L415 HydrophobicContact CD2-CD2 4.33Å; L379-L415 HydrophobicContact CG-CD2 4.39Å; L379-V425 HydrophobicContact CD1-CG1 4.13Å; L379-M429 HydrophobicContact CD1-CB 4.29Å; L379-M429 HydrophobicContact CD1-CE 4.27Å; L379-T433 HydrophobicContact CD2-CG2 4.26Å; L379-T433 WeakPolarHBondContact O-CB 3.33Å; L379-T433 PolarHBondContact O-OG1 3Å; L379-F439 HydrophobicContact CD2-CE2 3.67Å; L379-F439 HydrophobicContact CD2-CZ 3.79Å
380	E	97.6	Very high	98.3	Very high	55 Å²	55	21 Å²	21	26%	0.257	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	44.3	-179.7	-59	-178	162.4	0	0	113.3	T365 E376 V377 G382 K435	T365-E380 HydrophobicContact CG2-CB 4.29Å; T365-E380 HydrophobicContact CG2-CG 3.64Å; T365-E380 WeakPolarHBondContact CG2-OE1 3.43Å; E376-E380 PolarHBondContact O-N 3.37Å; E376-E380 VanDerWaalsContact O-N 3.09Å; V377-E380 PolarHBondContact O-N 3.37Å; V377-E380 VanDerWaalsContact O-N 3.15Å; E380-G382 VanDerWaalsContact C-N 3.32Å; E380-K435 VanDerWaalsContact OE1-CE 3.29Å; E380-K435 WeakPolarHBondContact OE1-CE 3.36Å; E380-K435 IonicContact OE1-NZ 2.84Å; E380-K435 PolarHBondContact OE1-NZ 2.94Å; E380-K435 WeakPolarHBondContact OE2-CE 3.42Å; E380-K435 IonicContact OE2-NZ 3.62Å; E380-K435 PolarHBondContact OE2-NZ 3.25Å
381	L	97.6	Very high	98.4	Very high	56 Å²	56	17.6 Å²	17.6	29%	0.293	10%	0.103	S	C	.	.	S	Bend	trans	-89.1	1.1	179.8	-66.8	174.7	0	0	0	113.3	E376 L379 M429 K432	E376-L381 HydrophobicContact CB-CB 4.17Å; E376-L381 PolarHBondContact O-N 3.4Å; L379-L381 VanDerWaalsContact C-N 3.26Å; L379-L381 HydrophobicContact CB-CD1 3.89Å; L379-L381 HydrophobicContact CB-CG 3.86Å; L379-L381 HydrophobicContact CD1-CD1 4.2Å; L379-L381 PolarHBondContact O-N 3.14Å; L381-M429 HydrophobicContact CD1-CB 3.75Å; L381-M429 HydrophobicContact CD1-CE 3.75Å; L381-M429 HydrophobicContact CD1-CG 3.95Å; L381-K432 HydrophobicContact CD2-CB 3.56Å
382	G	96.8	Very high	98.4	Very high	50 Å²	50	15.8 Å²	15.8	52%	0.515	9%	0.094	S	C	.	.			trans	84.2	152.6	-163	0	0	0	0	0	111.3	E380	E380-G382 VanDerWaalsContact C-N 3.32Å
383	W	98.2	Very high	98.4	Very high	26 Å²	26	15.6 Å²	15.6	10%	0.098	9%	0.094	C	C	.	.			trans	-140.6	164.6	178.3	58.7	-98.2	0	0	0	109.9	T312 T314 T357 H363 S364 V367 E376 V377 C387	T312-W383 HydrophobicContact CG2-CE3 4.31Å; T312-W383 HydrophobicContact CG2-CZ3 4.09Å; T314-W383 HydrophobicContact CG2-CE3 4.35Å; T314-W383 HydrophobicContact CG2-CH2 3.67Å; T314-W383 HydrophobicContact CG2-CZ3 3.55Å; T357-W383 HydrophobicContact CG2-CH2 4.07Å; H363-W383 HydrophobicContact CB-CH2 4.18Å; H363-W383 HydrophobicContact CB-CZ2 3.76Å; H363-W383 AromaticContact CD2-CE3 3.89Å; H363-W383 AromaticContact CD2-CH2 3.59Å; H363-W383 AromaticContact CD2-CZ2 3.92Å; H363-W383 AromaticContact CD2-CZ3 3.57Å; H363-W383 AromaticContact CG-CH2 4Å; S364-W383 PolarHBondContact O-NE1 2.98Å; V367-W383 HydrophobicContact CB-CZ2 4.44Å; V367-W383 HydrophobicContact CG1-CH2 4.14Å; V367-W383 HydrophobicContact CG1-CZ2 3.45Å; V367-W383 VanDerWaalsContact CG1-CZ2 3.45Å; V367-W383 HydrophobicContact CG2-CD2 3.94Å; V367-W383 HydrophobicContact CG2-CE3 4.5Å; V367-W383 HydrophobicContact CG2-CG 4.21Å; V367-W383 HydrophobicContact CG2-CZ2 4.17Å; E376-W383 HydrophobicContact CG-CB 4.3Å; V377-W383 HydrophobicContact CG2-CB 3.85Å; V377-W383 HydrophobicContact CG2-CG 4.05Å; W383-C387 HydrophobicContact CB-CB 4.37Å
384	S	97.9	Very high	98.4	Very high	41 Å²	41	14.3 Å²	14.3	29%	0.287	9%	0.088	S	C	.	.			trans	-164.8	-163.5	175.6	178	0	0	0	0	105.8	P386 C387	S384-P386 VanDerWaalsContact C-N 3.29Å; S384-P386 WeakPolarHBondContact O-CD 3.28Å; S384-C387 PolarHBondContact O-N 2.87Å; S384-C387 PolarHBondContact O-SG 3.46Å
385	H	98.6	Very high	98.5	Very high	28 Å²	28	14.3 Å²	14.3	13%	0.13	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-33.4	-42.4	-179.8	-58.5	122.5	0	0	0	117.2	H307 L311 T312 D359 C387 D388	H307-H385 HydrophobicContact CB-CB 4.31Å; H307-H385 AromaticContact CD2-CD2 3.26Å; H307-H385 PolarHBondContact CD2-CD2 2.78Å; H307-H385 AromaticContact CD2-CG 3.84Å; H307-H385 PolarHBondContact CE1-O 2.86Å; H307-H385 AromaticContact CG-CD2 3.53Å; H307-H385 AromaticContact CG-CG 3.75Å; H307-H385 AromaticContact NE2-CD2 3.93Å; H307-H385 PolarHBondContact NE2-O 3.42Å; L311-H385 PolarHBondContact N-NE2 3.16Å; T312-H385 PolarHBondContact OG1-CD2 3.21Å; T312-H385 PolarHBondContact OG1-N 3.28Å; D359-H385 IonicContact OD1-CE1 2.78Å; D359-H385 PolarHBondContact OD1-CE1 3.45Å; D359-H385 IonicContact OD1-ND1 2.63Å; D359-H385 IonicContact OD1-NE2 3.43Å; D359-H385 IonicContact OD2-CE1 3.6Å; D359-H385 PolarHBondContact OD2-CE1 3.18Å; H385-C387 PolarHBondContact O-N 3.43Å; H385-C387 VanDerWaalsContact O-N 3.1Å; H385-D388 PolarHBondContact O-N 3.3Å
386	P	98.8	Very high	98.5	Very high	35 Å²	35	14.3 Å²	14.3	23%	0.227	9%	0.088	C	C	.	.	H	α-helix	trans	-61.3	-18.8	179.9	-24.7	36	0	0	0	115.6	S384 D388 V389 W390 P489 R492	S384-P386 VanDerWaalsContact C-N 3.29Å; S384-P386 WeakPolarHBondContact O-CD 3.28Å; P386-D388 VanDerWaalsContact C-N 3.3Å; P386-D388 PolarHBondContact O-N 3.21Å; P386-V389 WeakPolarHBondContact O-CB 3.48Å; P386-V389 PolarHBondContact O-N 2.98Å; P386-W390 PolarHBondContact O-N 3.13Å; P386-P489 HydrophobicContact CB-CB 3.96Å; P386-P489 HydrophobicContact CG-CB 4.26Å; P386-R492 VanDerWaalsContact C-NH1 3.33Å; P386-R492 WeakPolarHBondContact O-CD 3.32Å; P386-R492 PolarHBondContact O-NH1 3.22Å
387	C	98.8	Very high	98.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.4	-34.8	177.2	68.2	0	0	0	0	111.8	A374 V377 W383 S384 H385 V389 W390 S391	A374-C387 HydrophobicContact CB-CB 3.98Å; V377-C387 HydrophobicContact CG2-CB 4.34Å; W383-C387 HydrophobicContact CB-CB 4.37Å; S384-C387 PolarHBondContact O-N 2.87Å; S384-C387 PolarHBondContact O-SG 3.46Å; H385-C387 PolarHBondContact O-N 3.43Å; H385-C387 VanDerWaalsContact O-N 3.1Å; C387-V389 VanDerWaalsContact C-N 3.28Å; C387-V389 PolarHBondContact O-N 3.31Å; C387-W390 WeakPolarHBondContact O-CB 3.36Å; C387-W390 PolarHBondContact O-N 3.18Å; C387-S391 PolarHBondContact O-N 2.8Å; C387-S391 VanDerWaalsContact O-N 3.17Å; C387-S391 PolarHBondContact O-OG 2.78Å
388	D	98.9	Very high	98.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.8	-35.8	174.4	-69.7	-19.4	0	0	0	111.4	V303 H307 T312 H313 T314 L316 H385 P386 W390 S391 I392	V303-D388 HydrophobicContact CG1-CB 3.87Å; H307-D388 IonicContact CD2-OD2 3.93Å; H307-D388 IonicContact CE1-OD2 3.63Å; H307-D388 IonicContact NE2-OD2 3.27Å; H307-D388 PolarHBondContact NE2-OD2 2.56Å; T312-D388 VanDerWaalsContact CG2-OD2 3.3Å; T312-D388 WeakPolarHBondContact CG2-OD2 3.37Å; H313-D388 PolarHBondContact N-OD2 2.82Å; T314-D388 WeakPolarHBondContact CA-OD1 3.29Å; T314-D388 PolarHBondContact N-OD1 3.3Å; L316-D388 HydrophobicContact CD1-CB 3.68Å; H385-D388 PolarHBondContact O-N 3.3Å; P386-D388 VanDerWaalsContact C-N 3.3Å; P386-D388 PolarHBondContact O-N 3.21Å; D388-W390 VanDerWaalsContact C-N 3.34Å; D388-W390 PolarHBondContact O-N 3.3Å; D388-S391 WeakPolarHBondContact O-CB 3.23Å; D388-S391 PolarHBondContact O-N 2.93Å; D388-I392 VanDerWaalsContact O-CG1 3.31Å; D388-I392 WeakPolarHBondContact O-CG1 3.2Å; D388-I392 PolarHBondContact O-N 2.8Å
389	V	98.9	Very high	98.5	Very high	5 Å²	5	14.2 Å²	14.2	3%	0.03	9%	0.088	C	C	.	.	H	α-helix	trans	-63.9	-40	177.5	-174.7	0	0	0	0	111.4	P386 C387 I392 G393 M484 R492 L493 L495	P386-V389 WeakPolarHBondContact O-CB 3.48Å; P386-V389 PolarHBondContact O-N 2.98Å; C387-V389 VanDerWaalsContact C-N 3.28Å; C387-V389 PolarHBondContact O-N 3.31Å; V389-I392 PolarHBondContact O-N 3.21Å; V389-G393 PolarHBondContact O-N 3.27Å; V389-M484 HydrophobicContact CG1-CB 3.98Å; V389-M484 HydrophobicContact CG1-CG 3.71Å; V389-R492 HydrophobicContact CB-CG 4.41Å; V389-R492 HydrophobicContact CG1-CG 4.11Å; V389-L493 WeakPolarHBondContact CG1-O 3.4Å; V389-L495 HydrophobicContact CG1-CD2 4.42Å; V389-L495 HydrophobicContact CG2-CD1 4.48Å; V389-L495 HydrophobicContact CG2-CD2 3.99Å; V389-L495 HydrophobicContact CG2-CG 3.92Å
390	W	98.9	Very high	98.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.3	-45.5	173.7	-179.9	-76.1	0	0	0	111.1	A374 P375 P386 C387 D388 I392 G393 C394 F406 M418 L422 L485 Y487	A374-W390 HydrophobicContact CB-CB 3.7Å; A374-W390 HydrophobicContact CB-CD2 4.26Å; A374-W390 HydrophobicContact CB-CG 3.71Å; P375-W390 VanDerWaalsContact CD-CD2 3.48Å; P375-W390 VanDerWaalsContact CD-CE3 3.41Å; P375-W390 VanDerWaalsContact CD-CZ3 3.47Å; P375-W390 HydrophobicContact CG-CE3 4Å; P375-W390 HydrophobicContact CG-CH2 3.87Å; P375-W390 HydrophobicContact CG-CZ2 4.41Å; P375-W390 HydrophobicContact CG-CZ3 3.63Å; P386-W390 PolarHBondContact O-N 3.13Å; C387-W390 WeakPolarHBondContact O-CB 3.36Å; C387-W390 PolarHBondContact O-N 3.18Å; D388-W390 VanDerWaalsContact C-N 3.34Å; D388-W390 PolarHBondContact O-N 3.3Å; W390-I392 VanDerWaalsContact C-N 3.29Å; W390-I392 PolarHBondContact O-N 2.83Å; W390-G393 PolarHBondContact O-N 2.77Å; W390-G393 VanDerWaalsContact O-N 3.1Å; W390-C394 PolarHBondContact O-N 3.47Å; W390-F406 AromaticContact CZ2-CE2 3.74Å; W390-F406 HydrophobicContact CZ2-CE2 3.74Å; W390-F406 HydrophobicContact CZ2-CZ 4.04Å; W390-M418 HydrophobicContact CH2-CE 4.32Å; W390-M418 HydrophobicContact CH2-CG 4.45Å; W390-M418 HydrophobicContact CH2-SD 4.06Å; W390-M418 HydrophobicContact CZ2-CE 3.55Å; W390-M418 HydrophobicContact CZ2-CG 4.17Å; W390-M418 HydrophobicContact CZ2-SD 3.84Å; W390-L422 HydrophobicContact CH2-CD1 3.49Å; W390-L422 VanDerWaalsContact CH2-CD1 3.49Å; W390-L422 HydrophobicContact CZ2-CD1 4.15Å; W390-L422 HydrophobicContact CZ3-CD1 4.25Å; W390-L485 HydrophobicContact CD2-CD2 3.72Å; W390-L485 HydrophobicContact CE3-CB 4.47Å; W390-L485 HydrophobicContact CE3-CD2 4.04Å; W390-L485 HydrophobicContact CG-CD2 4.1Å; W390-L485 HydrophobicContact CH2-CD2 4.44Å; W390-L485 HydrophobicContact CZ2-CD2 4.11Å; W390-L485 HydrophobicContact CZ3-CB 4.29Å; W390-L485 HydrophobicContact CZ3-CD2 4.41Å; W390-L485 WeakPolarHBondContact CZ3-O 3.42Å; W390-Y487 HydrophobicContact CH2-CD1 4.45Å; W390-Y487 HydrophobicContact CH2-CE1 4.5Å
391	S	98.9	Very high	98.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57.2	-43	175.7	-53.8	0	0	0	0	111.7	Y372 C387 D388 C394 I395	Y372-S391 PolarHBondContact O-OG 2.79Å; C387-S391 PolarHBondContact O-N 2.8Å; C387-S391 VanDerWaalsContact O-N 3.17Å; C387-S391 PolarHBondContact O-OG 2.78Å; D388-S391 WeakPolarHBondContact O-CB 3.23Å; D388-S391 PolarHBondContact O-N 2.93Å; S391-C394 WeakPolarHBondContact O-CB 3.41Å; S391-C394 PolarHBondContact O-N 2.84Å; S391-I395 WeakPolarHBondContact O-CD1 3.27Å; S391-I395 WeakPolarHBondContact O-CG1 3.22Å; S391-I395 PolarHBondContact O-N 2.91Å
392	I	98.9	Very high	98.5	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.3	-47.5	174.2	-66.3	166.2	0	0	0	110.5	L299 V303 L316 D388 V389 W390 C394 I395 L396 M484 L495	L299-I392 HydrophobicContact CD2-CB 4.41Å; L299-I392 HydrophobicContact CD2-CG1 3.89Å; L299-I392 HydrophobicContact CD2-CG2 4.04Å; L299-I392 HydrophobicContact CG-CD1 4.24Å; L299-I392 HydrophobicContact CG-CG1 3.96Å; L299-I392 HydrophobicContact CG-CG2 4.49Å; V303-I392 HydrophobicContact CB-CD1 4.14Å; V303-I392 HydrophobicContact CG1-CD1 4.22Å; V303-I392 HydrophobicContact CG2-CD1 4.21Å; L316-I392 HydrophobicContact CD1-CD1 4.22Å; L316-I392 HydrophobicContact CD1-CG1 3.97Å; D388-I392 VanDerWaalsContact O-CG1 3.31Å; D388-I392 WeakPolarHBondContact O-CG1 3.2Å; D388-I392 PolarHBondContact O-N 2.8Å; V389-I392 PolarHBondContact O-N 3.21Å; W390-I392 VanDerWaalsContact C-N 3.29Å; W390-I392 PolarHBondContact O-N 2.83Å; I392-C394 VanDerWaalsContact C-N 3.31Å; I392-C394 PolarHBondContact O-N 2.81Å; I392-I395 WeakPolarHBondContact O-CB 3.18Å; I392-I395 PolarHBondContact O-N 3.17Å; I392-L396 HydrophobicContact CG2-CD1 4.31Å; I392-L396 HydrophobicContact CG2-CD2 4.49Å; I392-L396 HydrophobicContact CG2-CG 4.12Å; I392-L396 WeakPolarHBondContact O-CG 3.37Å; I392-L396 PolarHBondContact O-N 3.5Å; I392-M484 HydrophobicContact CB-SD 4.37Å; I392-M484 HydrophobicContact CG2-CE 3.88Å; I392-M484 HydrophobicContact CG2-SD 3.72Å; I392-L495 HydrophobicContact CD1-CD1 4.18Å; I392-L495 HydrophobicContact CD1-CD2 3.93Å
393	G	98.9	Very high	98.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-54.8	-43.4	176.5	0	0	0	0	0	113.3	V389 W390 F397	V389-G393 PolarHBondContact O-N 3.27Å; W390-G393 PolarHBondContact O-N 2.77Å; W390-G393 VanDerWaalsContact O-N 3.1Å; G393-F397 PolarHBondContact O-N 2.87Å
394	C	98.9	Very high	98.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.4	-42.7	173	-69.5	0	0	0	0	112.9	Y372 W390 S391 I392 F397 E398	Y372-C394 HydrophobicContact CD1-CB 3.76Å; Y372-C394 HydrophobicContact CE1-CB 4.5Å; W390-C394 PolarHBondContact O-N 3.47Å; S391-C394 WeakPolarHBondContact O-CB 3.41Å; S391-C394 PolarHBondContact O-N 2.84Å; I392-C394 VanDerWaalsContact C-N 3.31Å; I392-C394 PolarHBondContact O-N 2.81Å; C394-F397 PolarHBondContact O-N 3.22Å; C394-E398 PolarHBondContact O-N 2.84Å; C394-E398 VanDerWaalsContact O-N 3.08Å
395	I	98.9	Very high	98.5	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-64	-42	179.6	-69.6	161.9	0	0	0	111.2	L299 L316 P318 I321 Y372 S391 I392 F397 E398 Y399	L299-I395 HydrophobicContact CD2-CD1 4.46Å; L299-I395 HydrophobicContact CD2-CG2 4.18Å; L316-I395 HydrophobicContact CB-CD1 4.12Å; P318-I395 HydrophobicContact CG-CG1 4.19Å; P318-I395 HydrophobicContact CG-CG2 4.38Å; I321-I395 HydrophobicContact CD1-CD1 4.03Å; I321-I395 HydrophobicContact CD1-CG2 4.06Å; Y372-I395 HydrophobicContact CD1-CG1 4.01Å; Y372-I395 HydrophobicContact CE1-CG1 4.15Å; S391-I395 WeakPolarHBondContact O-CD1 3.27Å; S391-I395 WeakPolarHBondContact O-CG1 3.22Å; S391-I395 PolarHBondContact O-N 2.91Å; I392-I395 WeakPolarHBondContact O-CB 3.18Å; I392-I395 PolarHBondContact O-N 3.17Å; I395-F397 VanDerWaalsContact C-N 3.35Å; I395-F397 PolarHBondContact O-N 3.18Å; I395-E398 PolarHBondContact O-N 3.47Å; I395-Y399 HydrophobicContact CG2-CD1 4.34Å; I395-Y399 HydrophobicContact CG2-CD2 4.09Å; I395-Y399 HydrophobicContact CG2-CE1 3.83Å; I395-Y399 HydrophobicContact CG2-CE2 3.55Å; I395-Y399 HydrophobicContact CG2-CG 4.45Å; I395-Y399 PolarHBondContact O-N 3.05Å
396	L	98.9	Very high	98.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-66	-37.8	179.7	-62	-164.5	0	0	0	112.2	A296 I392 Y399 Y400 L477 L480 I481 M484	A296-L396 HydrophobicContact CB-CD1 3.74Å; A296-L396 HydrophobicContact CB-CD2 3.47Å; A296-L396 VanDerWaalsContact CB-CD2 3.47Å; A296-L396 HydrophobicContact CB-CG 4.26Å; I392-L396 HydrophobicContact CG2-CD1 4.31Å; I392-L396 HydrophobicContact CG2-CD2 4.49Å; I392-L396 HydrophobicContact CG2-CG 4.12Å; I392-L396 WeakPolarHBondContact O-CG 3.37Å; I392-L396 PolarHBondContact O-N 3.5Å; L396-Y399 HydrophobicContact CD2-CD2 4.3Å; L396-Y400 WeakPolarHBondContact O-CB 3.35Å; L396-Y400 PolarHBondContact O-N 2.86Å; L396-Y400 VanDerWaalsContact O-N 3.11Å; L396-L477 HydrophobicContact CB-CD1 4.41Å; L396-L477 HydrophobicContact CD1-CD1 4.31Å; L396-L480 HydrophobicContact CD1-CD2 4.15Å; L396-I481 HydrophobicContact CB-CD1 3.91Å; L396-I481 HydrophobicContact CB-CG1 3.92Å; L396-I481 HydrophobicContact CD1-CG1 4.49Å; L396-M484 HydrophobicContact CD1-SD 4.12Å
397	F	98.8	Very high	98.3	Very high	1 Å²	1	5.7 Å²	5.7	0%	0.004	3%	0.028	C	C	.	.	H	α-helix	trans	-61.6	-44.4	171.4	178.9	-84	0	0	0	111.5	G393 C394 I395 Y400 L401 F403 L405 L463 Y466 I481	G393-F397 PolarHBondContact O-N 2.87Å; C394-F397 PolarHBondContact O-N 3.22Å; I395-F397 VanDerWaalsContact C-N 3.35Å; I395-F397 PolarHBondContact O-N 3.18Å; F397-Y400 PolarHBondContact O-N 3.25Å; F397-L401 HydrophobicContact CD1-CD1 4.13Å; F397-L401 HydrophobicContact CD2-CD1 4.16Å; F397-L401 HydrophobicContact CE1-CD1 3.5Å; F397-L401 HydrophobicContact CE1-CG 4.44Å; F397-L401 HydrophobicContact CE2-CD1 3.53Å; F397-L401 HydrophobicContact CG-CD1 4.44Å; F397-L401 HydrophobicContact CZ-CD1 3.18Å; F397-L401 HydrophobicContact CZ-CG 4.41Å; F397-L401 PolarHBondContact O-N 3.36Å; F397-F403 HydrophobicContact CE1-CD2 4.29Å; F397-F403 AromaticContact CE1-CE2 3.77Å; F397-F403 HydrophobicContact CE1-CE2 3.77Å; F397-F403 HydrophobicContact CE1-CZ 4.23Å; F397-F403 HydrophobicContact CZ-CE2 4.13Å; F397-F403 HydrophobicContact CZ-CZ 4.31Å; F397-L405 HydrophobicContact CB-CB 4.49Å; F397-L405 HydrophobicContact CD1-CB 3.57Å; F397-L405 HydrophobicContact CD1-CD1 3.78Å; F397-L405 HydrophobicContact CD1-CG 4.19Å; F397-L405 HydrophobicContact CD2-CD1 3.83Å; F397-L405 HydrophobicContact CE1-CB 3.88Å; F397-L405 HydrophobicContact CE1-CD1 3.55Å; F397-L405 HydrophobicContact CE1-CG 4.32Å; F397-L405 HydrophobicContact CE2-CD1 3.6Å; F397-L405 HydrophobicContact CG-CB 4.09Å; F397-L405 HydrophobicContact CG-CD1 3.89Å; F397-L405 HydrophobicContact CG-CD2 4.42Å; F397-L405 HydrophobicContact CG-CG 4.36Å; F397-L405 HydrophobicContact CZ-CD1 3.43Å; F397-L405 VanDerWaalsContact CZ-CD1 3.43Å; F397-L463 HydrophobicContact CD2-CD1 3.73Å; F397-L463 HydrophobicContact CE2-CD1 3.72Å; F397-Y466 HydrophobicContact CE2-CD1 4.38Å; F397-Y466 AromaticContact CE2-CD2 3.73Å; F397-Y466 HydrophobicContact CE2-CD2 3.73Å; F397-Y466 HydrophobicContact CE2-CE2 4.34Å; F397-Y466 AromaticContact CE2-CG 3.76Å; F397-Y466 HydrophobicContact CE2-CG 3.76Å; F397-Y466 HydrophobicContact CZ-CD1 4.01Å; F397-Y466 AromaticContact CZ-CD2 3.94Å; F397-Y466 HydrophobicContact CZ-CD2 3.94Å; F397-Y466 HydrophobicContact CZ-CE1 4.27Å; F397-Y466 HydrophobicContact CZ-CE2 4.21Å; F397-Y466 AromaticContact CZ-CG 3.85Å; F397-Y466 HydrophobicContact CZ-CG 3.85Å; F397-I481 HydrophobicContact CB-CD1 4.39Å
398	E	98.6	Very high	98.2	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-67.9	-37.8	-179.8	-178	155.2	-149.9	0	0	112.8	Y84 L279 Y372 C394 I395 Y400 G402 F403 T404	Y84-E398 PolarHBondContact OH-OE1 3.4Å; L279-E398 HydrophobicContact CD2-CG 4.41Å; Y372-E398 WeakPolarHBondContact CE1-OE2 3.3Å; Y372-E398 PolarHBondContact OH-OE2 2.88Å; C394-E398 PolarHBondContact O-N 2.84Å; C394-E398 VanDerWaalsContact O-N 3.08Å; I395-E398 PolarHBondContact O-N 3.47Å; E398-Y400 VanDerWaalsContact C-N 3.28Å; E398-Y400 PolarHBondContact O-N 3.23Å; E398-G402 VanDerWaalsContact O-CA 3.22Å; E398-G402 WeakPolarHBondContact O-CA 3.47Å; E398-G402 PolarHBondContact O-N 3.21Å; E398-F403 WeakPolarHBondContact CA-O 3.41Å; E398-T404 VanDerWaalsContact CD-CA 3.48Å; E398-T404 WeakPolarHBondContact OE1-CA 3.48Å; E398-T404 WeakPolarHBondContact OE1-CB 3.28Å; E398-T404 PolarHBondContact OE1-N 3.21Å; E398-T404 VanDerWaalsContact OE1-N 3.16Å; E398-T404 PolarHBondContact OE1-OG1 3.43Å
399	Y	98.8	Very high	97.8	Very high	1 Å²	1	12 Å²	12	0%	0.004	6%	0.058	C	C	.	.	H	α-helix	trans	-63.3	-35.4	170.6	-67.1	-16.4	0	0	0	112.7	T275 P286 Y287 M295 P318 I321 I395 L396	T275-Y399 HydrophobicContact CG2-CE1 4.37Å; T275-Y399 WeakPolarHBondContact OG1-CE1 3.43Å; T275-Y399 PolarHBondContact OG1-OH 3.02Å; P286-Y399 WeakPolarHBondContact CA-O 3.49Å; P286-Y399 WeakPolarHBondContact CB-O 3.38Å; Y287-Y399 AromaticContact CD2-CD1 3.98Å; Y287-Y399 HydrophobicContact CD2-CD1 3.98Å; Y287-Y399 HydrophobicContact CD2-CG 4.05Å; Y287-Y399 AromaticContact CE2-CD1 3.86Å; Y287-Y399 HydrophobicContact CE2-CD1 3.86Å; Y287-Y399 HydrophobicContact CE2-CE1 4.34Å; Y287-Y399 HydrophobicContact CE2-CG 4.37Å; Y287-Y399 PolarHBondContact N-O 2.98Å; M295-Y399 HydrophobicContact CB-CE2 4.17Å; M295-Y399 HydrophobicContact CE-CD2 3.92Å; M295-Y399 HydrophobicContact CE-CE2 4.13Å; M295-Y399 HydrophobicContact CE-CG 4.28Å; M295-Y399 HydrophobicContact SD-CE2 4.47Å; P318-Y399 HydrophobicContact CB-CE1 4.1Å; P318-Y399 HydrophobicContact CG-CE1 4.33Å; I321-Y399 VanDerWaalsContact CD1-OH 3.26Å; I321-Y399 WeakPolarHBondContact CD1-OH 3.26Å; I395-Y399 HydrophobicContact CG2-CD1 4.34Å; I395-Y399 HydrophobicContact CG2-CD2 4.09Å; I395-Y399 HydrophobicContact CG2-CE1 3.83Å; I395-Y399 HydrophobicContact CG2-CE2 3.55Å; I395-Y399 HydrophobicContact CG2-CG 4.45Å; I395-Y399 PolarHBondContact O-N 3.05Å; L396-Y399 HydrophobicContact CD2-CD2 4.3Å
400	Y	98.6	Very high	97.7	Very high	5 Å²	5	15.1 Å²	15.1	2%	0.02	7%	0.074	C	C	.	.	H	α-helix	trans	-77.5	-28.6	-176.7	-178.9	-109.5	0	0	0	114	P286 I289 L396 F397 E398 L468 H474 L477 F478	P286-Y400 VanDerWaalsContact CB-C 3.47Å; P286-Y400 WeakPolarHBondContact CB-O 3.47Å; I289-Y400 HydrophobicContact CD1-CD2 4.35Å; I289-Y400 HydrophobicContact CD1-CE2 4.29Å; L396-Y400 WeakPolarHBondContact O-CB 3.35Å; L396-Y400 PolarHBondContact O-N 2.86Å; L396-Y400 VanDerWaalsContact O-N 3.11Å; F397-Y400 PolarHBondContact O-N 3.25Å; E398-Y400 VanDerWaalsContact C-N 3.28Å; E398-Y400 PolarHBondContact O-N 3.23Å; Y400-L468 HydrophobicContact CE1-CB 4.35Å; Y400-L468 HydrophobicContact CE1-CD1 4.03Å; Y400-L468 HydrophobicContact CE1-CG 3.74Å; Y400-L468 HydrophobicContact CE2-CD1 4.24Å; Y400-L468 VanDerWaalsContact OH-CB 3.28Å; Y400-L468 WeakPolarHBondContact OH-CB 3.45Å; Y400-L468 PolarHBondContact OH-N 3.01Å; Y400-H474 AromaticContact CE2-CE1 3.74Å; Y400-H474 AromaticContact CE2-ND1 3.2Å; Y400-H474 WeakPolarHBondContact CE2-ND1 3.46Å; Y400-H474 AromaticContact CZ-ND1 3.46Å; Y400-H474 PolarHBondContact OH-ND1 2.96Å; Y400-L477 HydrophobicContact CD2-CD2 3.63Å; Y400-L477 HydrophobicContact CE2-CD2 4.26Å; Y400-L477 HydrophobicContact CG-CD2 3.76Å; Y400-F478 AromaticContact CD1-CE2 3.54Å; Y400-F478 HydrophobicContact CD1-CE2 3.54Å; Y400-F478 AromaticContact CD1-CZ 3.88Å; Y400-F478 HydrophobicContact CD1-CZ 3.88Å; Y400-F478 AromaticContact CE1-CE2 3.37Å; Y400-F478 HydrophobicContact CE1-CE2 3.37Å; Y400-F478 AromaticContact CE1-CZ 3.81Å; Y400-F478 HydrophobicContact CE1-CZ 3.81Å; Y400-F478 HydrophobicContact CG-CE2 4.43Å
401	L	97.9	Very high	97.6	Very high	20 Å²	20	16.2 Å²	16.2	11%	0.105	8%	0.08	C	C	.	.	H	α-helix	trans	-115.8	-15.1	-178	-58.7	-175.3	0	0	0	115.3	F397 F403 Y466 L468	F397-L401 HydrophobicContact CD1-CD1 4.13Å; F397-L401 HydrophobicContact CD2-CD1 4.16Å; F397-L401 HydrophobicContact CE1-CD1 3.5Å; F397-L401 HydrophobicContact CE1-CG 4.44Å; F397-L401 HydrophobicContact CE2-CD1 3.53Å; F397-L401 HydrophobicContact CG-CD1 4.44Å; F397-L401 HydrophobicContact CZ-CD1 3.18Å; F397-L401 HydrophobicContact CZ-CG 4.41Å; F397-L401 PolarHBondContact O-N 3.36Å; L401-F403 VanDerWaalsContact C-N 3.34Å; L401-F403 HydrophobicContact CB-CD1 3.79Å; L401-F403 HydrophobicContact CB-CE1 3.56Å; L401-F403 HydrophobicContact CB-CZ 4.14Å; L401-F403 HydrophobicContact CD1-CE1 3.76Å; L401-F403 HydrophobicContact CD1-CE2 4.29Å; L401-F403 HydrophobicContact CD1-CZ 3.53Å; L401-F403 HydrophobicContact CG-CE1 4.28Å; L401-F403 HydrophobicContact CG-CZ 4.5Å; L401-Y466 HydrophobicContact CD1-CD1 3.78Å; L401-Y466 HydrophobicContact CD1-CG 4Å; L401-L468 HydrophobicContact CD2-CD1 3.94Å; L401-L468 HydrophobicContact CD2-CD2 3.88Å; L401-L468 HydrophobicContact CD2-CG 3.84Å
402	G	97.2	Very high	97.5	Very high	2 Å²	2	19.7 Å²	19.7	2%	0.021	9%	0.093	C	C	.	.	S	Bend	trans	81	5.7	-176.1	0	0	0	0	0	115.3	Y284 E398	Y284-G402 WeakPolarHBondContact O-CA 3.46Å; E398-G402 VanDerWaalsContact O-CA 3.22Å; E398-G402 WeakPolarHBondContact O-CA 3.47Å; E398-G402 PolarHBondContact O-N 3.21Å
403	F	96.8	Very high	97.5	Very high	32 Å²	32	21.1 Å²	21.1	14%	0.14	10%	0.1	C	C	.	.	S	Bend	trans	-140.7	151.3	178.1	68.4	-95.7	0	0	0	113.2	Y80 Y84 F397 E398 L401 Y466	Y80-F403 HydrophobicContact CD1-CB 4.26Å; Y80-F403 HydrophobicContact CD1-CD2 4.12Å; Y80-F403 HydrophobicContact CD1-CG 4.09Å; Y80-F403 AromaticContact CE1-CD2 3.87Å; Y80-F403 HydrophobicContact CE1-CD2 3.87Å; Y80-F403 HydrophobicContact CE1-CE2 4.11Å; Y80-F403 HydrophobicContact CE1-CG 4.29Å; Y84-F403 HydrophobicContact CE2-CB 4.23Å; F397-F403 HydrophobicContact CE1-CD2 4.29Å; F397-F403 AromaticContact CE1-CE2 3.77Å; F397-F403 HydrophobicContact CE1-CE2 3.77Å; F397-F403 HydrophobicContact CE1-CZ 4.23Å; F397-F403 HydrophobicContact CZ-CE2 4.13Å; F397-F403 HydrophobicContact CZ-CZ 4.31Å; E398-F403 WeakPolarHBondContact CA-O 3.41Å; L401-F403 VanDerWaalsContact C-N 3.34Å; L401-F403 HydrophobicContact CB-CD1 3.79Å; L401-F403 HydrophobicContact CB-CE1 3.56Å; L401-F403 HydrophobicContact CB-CZ 4.14Å; L401-F403 HydrophobicContact CD1-CE1 3.76Å; L401-F403 HydrophobicContact CD1-CE2 4.29Å; L401-F403 HydrophobicContact CD1-CZ 3.53Å; L401-F403 HydrophobicContact CG-CE1 4.28Å; L401-F403 HydrophobicContact CG-CZ 4.5Å; F403-Y466 HydrophobicContact CE2-CE1 4.49Å; F403-Y466 HydrophobicContact CZ-CD1 4.14Å; F403-Y466 HydrophobicContact CZ-CE1 4.01Å
404	T	97.8	Very high	97.5	Very high	10 Å²	10	21.1 Å²	21.1	6%	0.061	10%	0.1	C	C	.	.			trans	-66	132.3	-176.4	-41.4	0	0	0	0	113.1	Y84 H371 Y372 E398 F406	Y84-T404 PolarHBondContact OH-N 3.34Å; Y84-T404 PolarHBondContact OH-OG1 3.27Å; H371-T404 HydrophobicContact CB-CG2 3.41Å; H371-T404 VanDerWaalsContact CB-CG2 3.41Å; Y372-T404 HydrophobicContact CE1-CG2 4.39Å; E398-T404 VanDerWaalsContact CD-CA 3.48Å; E398-T404 WeakPolarHBondContact OE1-CA 3.48Å; E398-T404 WeakPolarHBondContact OE1-CB 3.28Å; E398-T404 PolarHBondContact OE1-N 3.21Å; E398-T404 VanDerWaalsContact OE1-N 3.16Å; E398-T404 PolarHBondContact OE1-OG1 3.43Å; T404-F406 PolarHBondContact O-N 2.82Å
405	L	98.3	Very high	97.5	Very high	8 Å²	8	21.1 Å²	21.1	4%	0.042	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-44.2	-179.2	-179.2	58.4	0	0	0	113.8	F397 I421 L485	F397-L405 HydrophobicContact CB-CB 4.49Å; F397-L405 HydrophobicContact CD1-CB 3.57Å; F397-L405 HydrophobicContact CD1-CD1 3.78Å; F397-L405 HydrophobicContact CD1-CG 4.19Å; F397-L405 HydrophobicContact CD2-CD1 3.83Å; F397-L405 HydrophobicContact CE1-CB 3.88Å; F397-L405 HydrophobicContact CE1-CD1 3.55Å; F397-L405 HydrophobicContact CE1-CG 4.32Å; F397-L405 HydrophobicContact CE2-CD1 3.6Å; F397-L405 HydrophobicContact CG-CB 4.09Å; F397-L405 HydrophobicContact CG-CD1 3.89Å; F397-L405 HydrophobicContact CG-CD2 4.42Å; F397-L405 HydrophobicContact CG-CG 4.36Å; F397-L405 HydrophobicContact CZ-CD1 3.43Å; F397-L405 VanDerWaalsContact CZ-CD1 3.43Å; L405-I421 HydrophobicContact CD1-CD1 3.86Å; L405-I421 HydrophobicContact CD1-CG2 4.25Å; L405-L485 HydrophobicContact CD2-CD1 3.54Å
406	F	98.1	Very high	97.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	70.9	-176	-57.7	-62.9	0	0	0	111.3	H371 W390 T404 T408 H414 M417 M418 I421 L422	H371-F406 WeakPolarHBondContact CB-O 3.23Å; H371-F406 PolarHBondContact CD2-O 3.04Å; W390-F406 AromaticContact CZ2-CE2 3.74Å; W390-F406 HydrophobicContact CZ2-CE2 3.74Å; W390-F406 HydrophobicContact CZ2-CZ 4.04Å; T404-F406 PolarHBondContact O-N 2.82Å; F406-T408 PolarHBondContact O-N 3.4Å; F406-T408 VanDerWaalsContact O-N 3.13Å; F406-H414 WeakPolarHBondContact CB-NE2 3.49Å; F406-H414 AromaticContact CD1-CD2 3.94Å; F406-H414 AromaticContact CD1-NE2 4Å; F406-H414 AromaticContact CD2-NE2 3.42Å; F406-H414 WeakPolarHBondContact CD2-NE2 3.49Å; F406-H414 AromaticContact CG-CD2 3.65Å; F406-H414 AromaticContact CG-NE2 3.28Å; F406-H414 VanDerWaalsContact CG-NE2 3.28Å; F406-H414 WeakPolarHBondContact CG-NE2 3.38Å; F406-M417 HydrophobicContact CD1-CB 3.84Å; F406-M417 HydrophobicContact CE1-CB 4.34Å; F406-M418 HydrophobicContact CD1-CG 4.35Å; F406-M418 HydrophobicContact CE1-CB 4.33Å; F406-M418 HydrophobicContact CE1-CG 3.73Å; F406-M418 HydrophobicContact CE2-CG 4.41Å; F406-M418 HydrophobicContact CZ-CG 3.78Å; F406-I421 HydrophobicContact CD1-CD1 4.16Å; F406-I421 HydrophobicContact CE1-CD1 3.8Å; F406-L422 HydrophobicContact CZ-CD1 4.2Å
407	Q	95.2	Very high	97.4	Very high	35 Å²	35	21.6 Å²	21.6	16%	0.164	10%	0.103	C	C	.	.			trans	-74.3	94.8	174.1	-174.7	171.9	68	0	0	111	Y455	Q407-Y455 PolarHBondContact OE1-OH 3.22Å
408	T	95.1	Very high	97.4	Very high	4 Å²	4	21.5 Å²	21.5	3%	0.025	10%	0.103	C	C	.	.			trans	-156.6	158.1	-177	173.9	0	0	0	0	111.7	R370 F406 D410 E413 H414 M417	R370-T408 WeakPolarHBondContact CD-O 3.4Å; F406-T408 PolarHBondContact O-N 3.4Å; F406-T408 VanDerWaalsContact O-N 3.13Å; T408-D410 PolarHBondContact OG1-N 3.34Å; T408-D410 PolarHBondContact OG1-O 3.23Å; T408-E413 VanDerWaalsContact CB-OE2 3.3Å; T408-E413 WeakPolarHBondContact CB-OE2 3.43Å; T408-E413 WeakPolarHBondContact OG1-CG 3.41Å; T408-E413 PolarHBondContact OG1-OE2 3.2Å; T408-H414 HydrophobicContact CG2-CB 3.6Å; T408-M417 HydrophobicContact CG2-SD 3.86Å
409	H	92.2	Very high	97.4	Very high	128 Å²	128	24 Å²	24	59%	0.593	12%	0.115	S	C	*	.	S	Bend	trans	-117.6	0.4	174.5	-59.1	-33.1	0	0	0	114.4	R370 H371	R370-H409 PolarHBondContact NE-O 3.32Å; R370-H409 PolarHBondContact NH1-O 3.32Å; R370-H409 PolarHBondContact NH2-O 3.47Å; R370-H409 VanDerWaalsContact NH2-O 3.14Å; H371-H409 AromaticContact NE2-CE1 4Å
410	D	96.1	Very high	97.4	Very high	72 Å²	72	29.1 Å²	29.1	39%	0.385	13%	0.134	S	C	.	.	S	Bend	trans	-118.2	155.3	177.5	174.3	-111.3	0	0	0	112.4	R370 T408 R412 E413 H414	R370-D410 VanDerWaalsContact NH1-C 3.29Å; R370-D410 PolarHBondContact NH1-O 2.84Å; T408-D410 PolarHBondContact OG1-N 3.34Å; T408-D410 PolarHBondContact OG1-O 3.23Å; D410-R412 WeakPolarHBondContact OD1-CA 3.35Å; D410-R412 VanDerWaalsContact OD1-CB 3.27Å; D410-R412 WeakPolarHBondContact OD1-CB 3.34Å; D410-R412 PolarHBondContact OD1-N 3.15Å; D410-E413 HydrophobicContact CB-CB 4.07Å; D410-E413 PolarHBondContact OD1-N 3.35Å; D410-H414 VanDerWaalsContact O-CB 3.29Å; D410-H414 WeakPolarHBondContact O-CB 3.43Å; D410-H414 PolarHBondContact O-N 3.44Å
411	N	97.3	Very high	97.4	Very high	23 Å²	23	29.2 Å²	29.2	12%	0.123	14%	0.135	C	C	.	.	H	α-helix	trans	-78	-35.2	179.5	-75.8	4.5	0	0	0	113.2	R370 I378 L415 Y438	R370-N411 PolarHBondContact NH1-OD1 3.39Å; I378-N411 HydrophobicContact CG2-CB 3.93Å; N411-L415 WeakPolarHBondContact O-CG 3.22Å; N411-L415 PolarHBondContact O-N 3.46Å; N411-L415 VanDerWaalsContact O-N 3.14Å; N411-Y438 HydrophobicContact CB-CE1 4.48Å; N411-Y438 HydrophobicContact CB-CE2 4.06Å; N411-Y438 WeakPolarHBondContact CB-OH 3.41Å; N411-Y438 PolarHBondContact ND2-OH 2.95Å; N411-Y438 VanDerWaalsContact ND2-OH 3.12Å
412	R	97.1	Very high	97.4	Very high	72 Å²	72	30.4 Å²	30.4	27%	0.272	14%	0.141	S	C	.	.	H	α-helix	trans	-78.8	-38.7	-178.3	-174.7	-168	-90.1	-172.2	-14.1	110.1	D410 L415 A416 K437 Y438 L444 D445 W446	D410-R412 WeakPolarHBondContact OD1-CA 3.35Å; D410-R412 VanDerWaalsContact OD1-CB 3.27Å; D410-R412 WeakPolarHBondContact OD1-CB 3.34Å; D410-R412 PolarHBondContact OD1-N 3.15Å; R412-L415 PolarHBondContact O-N 2.89Å; R412-A416 PolarHBondContact O-N 2.86Å; R412-K437 PolarHBondContact NH2-O 2.95Å; R412-Y438 HydrophobicContact CB-CD1 4.12Å; R412-Y438 HydrophobicContact CB-CE1 4.41Å; R412-Y438 HydrophobicContact CG-CD1 4.49Å; R412-L444 HydrophobicContact CG-CD1 4.42Å; R412-D445 VanDerWaalsContact CD-O 3.22Å; R412-D445 WeakPolarHBondContact CD-O 3.38Å; R412-D445 VanDerWaalsContact CZ-O 3.31Å; R412-D445 IonicContact CZ-OD2 2.71Å; R412-D445 PolarHBondContact NE-O 2.7Å; R412-D445 PolarHBondContact NH1-O 3.18Å; R412-D445 IonicContact NH1-OD2 2.8Å; R412-D445 IonicContact NH2-OD2 3.46Å; R412-D445 PolarHBondContact NH2-OD2 3.15Å; R412-W446 HydrophobicContact CG-CE3 3.91Å; R412-W446 HydrophobicContact CG-CZ3 4.3Å
413	E	98	Very high	97.4	Very high	30 Å²	30	31.5 Å²	31.5	14%	0.14	15%	0.152	C	C	.	.	H	α-helix	trans	-58.6	-46.3	167.5	-175.6	176.5	-118.5	0	0	111.5	T408 D410 L415 A416 M417 W446 V456	T408-E413 VanDerWaalsContact CB-OE2 3.3Å; T408-E413 WeakPolarHBondContact CB-OE2 3.43Å; T408-E413 WeakPolarHBondContact OG1-CG 3.41Å; T408-E413 PolarHBondContact OG1-OE2 3.2Å; D410-E413 HydrophobicContact CB-CB 4.07Å; D410-E413 PolarHBondContact OD1-N 3.35Å; E413-L415 VanDerWaalsContact C-N 3.34Å; E413-L415 PolarHBondContact O-N 3.41Å; E413-A416 CarbonylContact O-C 3.51Å; E413-A416 WeakPolarHBondContact O-CA 3.48Å; E413-A416 WeakPolarHBondContact O-CB 3.34Å; E413-A416 PolarHBondContact O-N 2.88Å; E413-M417 WeakPolarHBondContact O-CG 3.46Å; E413-M417 PolarHBondContact O-N 2.68Å; E413-W446 HydrophobicContact CB-CH2 3.63Å; E413-W446 HydrophobicContact CB-CZ3 4.02Å; E413-W446 HydrophobicContact CG-CH2 3.83Å; E413-W446 HydrophobicContact CG-CZ2 4.35Å; E413-V456 HydrophobicContact CG-CG2 3.99Å
414	H	98.4	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.9	-45.8	176.4	-162.4	174	0	0	0	112.2	R370 I378 F406 T408 D410 A416 M417 M418	R370-H414 PolarHBondContact O-CE1 3.04Å; I378-H414 HydrophobicContact CD1-CB 4.31Å; I378-H414 VanDerWaalsContact CD1-ND1 3.34Å; I378-H414 WeakPolarHBondContact CD1-ND1 3.4Å; F406-H414 WeakPolarHBondContact CB-NE2 3.49Å; F406-H414 AromaticContact CD1-CD2 3.94Å; F406-H414 AromaticContact CD1-NE2 4Å; F406-H414 AromaticContact CD2-NE2 3.42Å; F406-H414 WeakPolarHBondContact CD2-NE2 3.49Å; F406-H414 AromaticContact CG-CD2 3.65Å; F406-H414 AromaticContact CG-NE2 3.28Å; F406-H414 VanDerWaalsContact CG-NE2 3.28Å; F406-H414 WeakPolarHBondContact CG-NE2 3.38Å; T408-H414 HydrophobicContact CG2-CB 3.6Å; D410-H414 VanDerWaalsContact O-CB 3.29Å; D410-H414 WeakPolarHBondContact O-CB 3.43Å; D410-H414 PolarHBondContact O-N 3.44Å; H414-A416 VanDerWaalsContact C-N 3.31Å; H414-A416 PolarHBondContact O-N 3.49Å; H414-M417 PolarHBondContact O-N 3.35Å; H414-M418 WeakPolarHBondContact NE2-CE 3.42Å; H414-M418 WeakPolarHBondContact O-CG 3.37Å; H414-M418 PolarHBondContact O-N 3.05Å
415	L	98.6	Very high	97.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-35.9	174.3	-68.6	168.3	0	0	0	112.4	I378 L379 N411 R412 E413 M418 E419 V425 Y438 F439 L444	I378-L415 HydrophobicContact CG2-CD1 4.17Å; I378-L415 HydrophobicContact CG2-CD2 4.32Å; I378-L415 HydrophobicContact CG2-CG 4.12Å; L379-L415 HydrophobicContact CD2-CD1 3.9Å; L379-L415 HydrophobicContact CD2-CD2 4.33Å; L379-L415 HydrophobicContact CG-CD2 4.39Å; N411-L415 WeakPolarHBondContact O-CG 3.22Å; N411-L415 PolarHBondContact O-N 3.46Å; N411-L415 VanDerWaalsContact O-N 3.14Å; R412-L415 PolarHBondContact O-N 2.89Å; E413-L415 VanDerWaalsContact C-N 3.34Å; E413-L415 PolarHBondContact O-N 3.41Å; L415-M418 HydrophobicContact CD2-SD 4.22Å; L415-M418 PolarHBondContact O-N 3.3Å; L415-E419 WeakPolarHBondContact O-CG 3.48Å; L415-E419 PolarHBondContact O-N 3.21Å; L415-V425 HydrophobicContact CD2-CG2 4.33Å; L415-Y438 HydrophobicContact CD1-CD2 3.87Å; L415-Y438 HydrophobicContact CD1-CG 4.39Å; L415-F439 HydrophobicContact CD1-CZ 4.17Å; L415-L444 HydrophobicContact CB-CD1 3.72Å; L415-L444 HydrophobicContact CB-CD2 4.09Å; L415-L444 HydrophobicContact CD1-CD1 4Å
416	A	98.5	Very high	97.5	Very high	6 Å²	6	35.7 Å²	35.7	5%	0.05	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-37.4	175.7	0	0	0	0	0	112.5	R412 E413 H414 E419 R420 L444 W446 V456	R412-A416 PolarHBondContact O-N 2.86Å; E413-A416 CarbonylContact O-C 3.51Å; E413-A416 WeakPolarHBondContact O-CA 3.48Å; E413-A416 WeakPolarHBondContact O-CB 3.34Å; E413-A416 PolarHBondContact O-N 2.88Å; H414-A416 VanDerWaalsContact C-N 3.31Å; H414-A416 PolarHBondContact O-N 3.49Å; A416-E419 PolarHBondContact O-N 3.14Å; A416-R420 VanDerWaalsContact O-CB 3.26Å; A416-R420 WeakPolarHBondContact O-CB 3.39Å; A416-R420 PolarHBondContact O-N 2.84Å; A416-L444 HydrophobicContact CB-CD2 3.66Å; A416-W446 HydrophobicContact CB-CD2 3.63Å; A416-W446 HydrophobicContact CB-CE3 4.22Å; A416-W446 HydrophobicContact CB-CG 3.83Å; A416-W446 HydrophobicContact CB-CZ2 4.01Å; A416-V456 HydrophobicContact CB-CG1 4.44Å
417	M	98.6	Very high	97.5	Very high	4 Å²	4	39 Å²	39	2%	0.02	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-45	171.9	-62	177.5	83.3	0	0	110.9	F406 T408 E413 H414 R420 I421 V456 C460	F406-M417 HydrophobicContact CD1-CB 3.84Å; F406-M417 HydrophobicContact CE1-CB 4.34Å; T408-M417 HydrophobicContact CG2-SD 3.86Å; E413-M417 WeakPolarHBondContact O-CG 3.46Å; E413-M417 PolarHBondContact O-N 2.68Å; H414-M417 PolarHBondContact O-N 3.35Å; M417-R420 PolarHBondContact O-N 3.08Å; M417-I421 WeakPolarHBondContact O-CB 3.33Å; M417-I421 VanDerWaalsContact O-CG1 3.27Å; M417-I421 WeakPolarHBondContact O-CG1 3.3Å; M417-I421 PolarHBondContact O-N 3.19Å; M417-V456 HydrophobicContact CG-CG1 4.27Å; M417-V456 HydrophobicContact CG-CG2 3.86Å; M417-C460 WeakPolarHBondContact CE-SG 3.4Å
418	M	98.8	Very high	97.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.1	-50.8	173.9	-66.8	-179.5	-176.3	0	0	111.2	P375 I378 W390 F406 H414 L415 R420 I421 L422 Y487	P375-M418 HydrophobicContact CB-CE 4.42Å; P375-M418 HydrophobicContact CB-SD 3.92Å; I378-M418 HydrophobicContact CD1-CE 3.49Å; I378-M418 VanDerWaalsContact CD1-CE 3.49Å; W390-M418 HydrophobicContact CH2-CE 4.32Å; W390-M418 HydrophobicContact CH2-CG 4.45Å; W390-M418 HydrophobicContact CH2-SD 4.06Å; W390-M418 HydrophobicContact CZ2-CE 3.55Å; W390-M418 HydrophobicContact CZ2-CG 4.17Å; W390-M418 HydrophobicContact CZ2-SD 3.84Å; F406-M418 HydrophobicContact CD1-CG 4.35Å; F406-M418 HydrophobicContact CE1-CB 4.33Å; F406-M418 HydrophobicContact CE1-CG 3.73Å; F406-M418 HydrophobicContact CE2-CG 4.41Å; F406-M418 HydrophobicContact CZ-CG 3.78Å; H414-M418 WeakPolarHBondContact NE2-CE 3.42Å; H414-M418 WeakPolarHBondContact O-CG 3.37Å; H414-M418 PolarHBondContact O-N 3.05Å; L415-M418 HydrophobicContact CD2-SD 4.22Å; L415-M418 PolarHBondContact O-N 3.3Å; M418-R420 PolarHBondContact O-N 3.14Å; M418-I421 PolarHBondContact O-N 3.5Å; M418-I421 VanDerWaalsContact O-N 3.14Å; M418-L422 WeakPolarHBondContact O-CB 3.49Å; M418-L422 PolarHBondContact O-N 2.89Å; M418-Y487 HydrophobicContact CB-CE1 4Å; M418-Y487 WeakPolarHBondContact CB-OH 3.09Å; M418-Y487 PolarHBondContact O-OH 3Å; M418-Y487 HydrophobicContact SD-CE1 4.19Å
419	E	98.5	Very high	97.7	Very high	53 Å²	53	42.8 Å²	42.8	25%	0.248	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-32.4	179.6	-70.9	-154.9	143.9	0	0	112.9	L415 A416 G423 P424 V425 L444 Y487	L415-E419 WeakPolarHBondContact O-CG 3.48Å; L415-E419 PolarHBondContact O-N 3.21Å; A416-E419 PolarHBondContact O-N 3.14Å; E419-G423 WeakPolarHBondContact CA-O 3.26Å; E419-G423 CarbonylContact O-C 3.59Å; E419-G423 VanDerWaalsContact O-CA 3.29Å; E419-G423 WeakPolarHBondContact O-CA 3.44Å; E419-G423 PolarHBondContact O-N 3.18Å; E419-P424 WeakPolarHBondContact OE1-CA 3.39Å; E419-V425 HydrophobicContact CG-CG2 3.83Å; E419-V425 PolarHBondContact OE1-N 3.02Å; E419-L444 WeakPolarHBondContact OE2-CB 3.47Å; E419-Y487 PolarHBondContact N-OH 3.34Å
420	R	98	Very high	98	Very high	108 Å²	108	37 Å²	37	41%	0.408	19%	0.192	S	C	.	.	H	α-helix	trans	-76.1	-29.1	179.1	-178.2	54.6	176.8	175.6	-7.8	113.9	A416 M417 M418 V456 C460	A416-R420 VanDerWaalsContact O-CB 3.26Å; A416-R420 WeakPolarHBondContact O-CB 3.39Å; A416-R420 PolarHBondContact O-N 2.84Å; M417-R420 PolarHBondContact O-N 3.08Å; M418-R420 PolarHBondContact O-N 3.14Å; R420-V456 HydrophobicContact CB-CG1 4.16Å; R420-V456 HydrophobicContact CG-CG1 4.34Å; R420-C460 HydrophobicContact CB-CB 4Å; R420-C460 HydrophobicContact CG-CB 3.46Å; R420-C460 VanDerWaalsContact CG-CB 3.46Å; R420-C460 VanDerWaalsContact CG-O 3.28Å; R420-C460 WeakPolarHBondContact CG-O 3.34Å; R420-C460 PolarHBondContact NE-O 2.71Å
421	I	98.6	Very high	98	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-95.8	-43.1	-175.7	-65.1	172.3	0	0	0	111.6	L405 F406 M417 M418 C460 K461 P462 L463	L405-I421 HydrophobicContact CD1-CD1 3.86Å; L405-I421 HydrophobicContact CD1-CG2 4.25Å; F406-I421 HydrophobicContact CD1-CD1 4.16Å; F406-I421 HydrophobicContact CE1-CD1 3.8Å; M417-I421 WeakPolarHBondContact O-CB 3.33Å; M417-I421 VanDerWaalsContact O-CG1 3.27Å; M417-I421 WeakPolarHBondContact O-CG1 3.3Å; M417-I421 PolarHBondContact O-N 3.19Å; M418-I421 PolarHBondContact O-N 3.5Å; M418-I421 VanDerWaalsContact O-N 3.14Å; I421-C460 HydrophobicContact CD1-CB 4.1Å; I421-C460 HydrophobicContact CG1-CB 3.92Å; I421-K461 WeakPolarHBondContact CA-O 3.34Å; I421-K461 WeakPolarHBondContact CG1-O 3.39Å; I421-P462 WeakPolarHBondContact O-CA 3.37Å; I421-L463 HydrophobicContact CG2-CB 3.9Å; I421-L463 HydrophobicContact CG2-CD1 4.18Å; I421-L463 PolarHBondContact O-N 3.02Å
422	L	98.5	Very high	98	Very high	46 Å²	46	49.2 Å²	49.2	24%	0.241	24%	0.235	C	C	.	.	H	α-helix	trans	-110.1	-8	-169.5	-56.4	171.9	0	0	0	113.5	W390 F406 M418 L463 L485 Y487	W390-L422 HydrophobicContact CH2-CD1 3.49Å; W390-L422 VanDerWaalsContact CH2-CD1 3.49Å; W390-L422 HydrophobicContact CZ2-CD1 4.15Å; W390-L422 HydrophobicContact CZ3-CD1 4.25Å; F406-L422 HydrophobicContact CZ-CD1 4.2Å; M418-L422 WeakPolarHBondContact O-CB 3.49Å; M418-L422 PolarHBondContact O-N 2.89Å; L422-L463 HydrophobicContact CD2-CB 4.47Å; L422-L463 HydrophobicContact CD2-CD2 3.81Å; L422-L485 HydrophobicContact CD1-CB 4.03Å; L422-L485 HydrophobicContact CD2-CB 3.96Å; L422-L485 HydrophobicContact CD2-CD1 4.12Å; L422-Y487 HydrophobicContact CB-CE2 3.85Å
423	G	97.9	Very high	98	Very high	25 Å²	25	46 Å²	46	26%	0.258	22%	0.223	S	C	.	.			trans	87.3	176.3	-170.2	0	0	0	0	0	112.9	E419 Y487	E419-G423 WeakPolarHBondContact CA-O 3.26Å; E419-G423 CarbonylContact O-C 3.59Å; E419-G423 VanDerWaalsContact O-CA 3.29Å; E419-G423 WeakPolarHBondContact O-CA 3.44Å; E419-G423 PolarHBondContact O-N 3.18Å; G423-Y487 VanDerWaalsContact O-CE2 3.22Å; G423-Y487 WeakPolarHBondContact O-CE2 3.19Å; G423-Y487 PolarHBondContact O-OH 3.42Å
424	P	97.7	Very high	97.8	Very high	103 Å²	103	55 Å²	55	67%	0.669	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-65.5	147	-163.6	27.1	-36.2	0	0	0	114	E419	E419-P424 WeakPolarHBondContact OE1-CA 3.39Å
425	V	98.2	Very high	97.7	Very high	5 Å²	5	57 Å²	57	3%	0.03	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-62.2	130.1	176.7	179.2	0	0	0	0	109.5	L379 L415 E419 S427 M429 I430 Y487	L379-V425 HydrophobicContact CD1-CG1 4.13Å; L415-V425 HydrophobicContact CD2-CG2 4.33Å; E419-V425 HydrophobicContact CG-CG2 3.83Å; E419-V425 PolarHBondContact OE1-N 3.02Å; V425-S427 PolarHBondContact O-N 3.43Å; V425-M429 HydrophobicContact CG1-CB 4.31Å; V425-I430 HydrophobicContact CB-CD1 4.19Å; V425-I430 HydrophobicContact CB-CG1 4.23Å; V425-I430 HydrophobicContact CG1-CD1 4.38Å; V425-I430 HydrophobicContact CG1-CG1 3.87Å; V425-I430 WeakPolarHBondContact O-CD1 3.46Å; V425-Y487 HydrophobicContact CG2-CE1 3.86Å
426	P	98.1	Very high	97.5	Very high	29 Å²	29	61.3 Å²	61.3	19%	0.188	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-55.9	126.9	-178.6	-29	35.4	0	0	0	113.1	R428 M429 I430 Y487 E488	P426-R428 PolarHBondContact O-N 3.3Å; P426-M429 HydrophobicContact CB-CG 4.42Å; P426-M429 HydrophobicContact CB-SD 4.37Å; P426-M429 HydrophobicContact CG-SD 4.17Å; P426-M429 WeakPolarHBondContact O-CA 3.27Å; P426-M429 WeakPolarHBondContact O-CB 3.37Å; P426-M429 PolarHBondContact O-N 2.88Å; P426-I430 PolarHBondContact O-N 3.44Å; P426-Y487 HydrophobicContact CG-CD2 4.35Å; P426-Y487 HydrophobicContact CG-CG 4.2Å; P426-E488 HydrophobicContact CB-CG 4.13Å; P426-E488 HydrophobicContact CG-CG 3.88Å
427	S	97.2	Very high	97.4	Very high	70 Å²	70	68.2 Å²	68.2	49%	0.49	31%	0.314	S	S	.	.	H	α-helix	trans	-54	-24.9	-178.9	-54.7	0	0	0	0	114.1	V425 R431	V425-S427 PolarHBondContact O-N 3.43Å; S427-R431 WeakPolarHBondContact O-CB 3.22Å; S427-R431 VanDerWaalsContact O-CG 3.23Å; S427-R431 WeakPolarHBondContact O-CG 3.47Å; S427-R431 PolarHBondContact O-N 2.81Å
428	R	96.7	Very high	97.4	Very high	115 Å²	115	69 Å²	69	43%	0.434	32%	0.317	S	S	.	.	H	α-helix	trans	-66.4	-36.9	174.2	-167.5	-176.6	69.9	111.8	5.6	112.3	P426 K432 E488	P426-R428 PolarHBondContact O-N 3.3Å; R428-K432 WeakPolarHBondContact O-CG 3.09Å; R428-K432 PolarHBondContact O-N 3.07Å; R428-E488 IonicContact CZ-OE1 3.78Å; R428-E488 IonicContact NE-OE1 3.85Å; R428-E488 PolarHBondContact NE-OE1 3.47Å; R428-E488 IonicContact NH2-OE1 3.54Å; R428-E488 PolarHBondContact NH2-OE1 3.47Å
429	M	98.3	Very high	97.3	Very high	4 Å²	4	70 Å²	70	2%	0.02	32%	0.321	C	S	.	.	H	α-helix	trans	-73	-45.7	175.2	-65.6	175.8	77.3	0	0	110.4	P375 E376 L379 L381 V425 P426 R431 K432 T433 Y487 E488	P375-M429 HydrophobicContact CB-CE 4.24Å; P375-M429 HydrophobicContact CG-CE 4.31Å; E376-M429 HydrophobicContact CB-CE 4.38Å; L379-M429 HydrophobicContact CD1-CB 4.29Å; L379-M429 HydrophobicContact CD1-CE 4.27Å; L381-M429 HydrophobicContact CD1-CB 3.75Å; L381-M429 HydrophobicContact CD1-CE 3.75Å; L381-M429 HydrophobicContact CD1-CG 3.95Å; V425-M429 HydrophobicContact CG1-CB 4.31Å; P426-M429 HydrophobicContact CB-CG 4.42Å; P426-M429 HydrophobicContact CB-SD 4.37Å; P426-M429 HydrophobicContact CG-SD 4.17Å; P426-M429 WeakPolarHBondContact O-CA 3.27Å; P426-M429 WeakPolarHBondContact O-CB 3.37Å; P426-M429 PolarHBondContact O-N 2.88Å; M429-R431 VanDerWaalsContact C-N 3.3Å; M429-R431 PolarHBondContact O-N 3.27Å; M429-K432 PolarHBondContact O-N 3.37Å; M429-T433 PolarHBondContact O-N 3.11Å; M429-Y487 VanDerWaalsContact CE-O 3.29Å; M429-Y487 WeakPolarHBondContact CE-O 3.41Å; M429-E488 HydrophobicContact SD-CG 4.07Å
430	I	98	Very high	97.2	Very high	7 Å²	7	74.1 Å²	74.1	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-56.8	-41.6	176.4	-56.8	179.6	0	0	0	111.5	V425 P426 K432 T433 Q436 F439 G442	V425-I430 HydrophobicContact CB-CD1 4.19Å; V425-I430 HydrophobicContact CB-CG1 4.23Å; V425-I430 HydrophobicContact CG1-CD1 4.38Å; V425-I430 HydrophobicContact CG1-CG1 3.87Å; V425-I430 WeakPolarHBondContact O-CD1 3.46Å; P426-I430 PolarHBondContact O-N 3.44Å; I430-K432 VanDerWaalsContact C-N 3.3Å; I430-K432 PolarHBondContact O-N 2.88Å; I430-T433 WeakPolarHBondContact O-CG2 3.43Å; I430-Q436 PolarHBondContact O-NE2 2.79Å; I430-F439 HydrophobicContact CB-CD1 4.5Å; I430-F439 HydrophobicContact CD1-CD1 3.85Å; I430-F439 HydrophobicContact CD1-CE1 3.74Å; I430-F439 HydrophobicContact CG1-CD1 4.01Å; I430-F439 HydrophobicContact CG1-CE1 3.69Å; I430-F439 HydrophobicContact CG1-CZ 4.04Å; I430-F439 HydrophobicContact CG2-CB 4Å; I430-F439 HydrophobicContact CG2-CD1 3.74Å; I430-F439 HydrophobicContact CG2-CD2 4.01Å; I430-F439 HydrophobicContact CG2-CE1 4.23Å; I430-F439 HydrophobicContact CG2-CE2 4.45Å; I430-F439 HydrophobicContact CG2-CG 3.64Å; I430-G442 WeakPolarHBondContact CD1-O 3.43Å
431	R	96.8	Very high	97	Very high	214 Å²	214	79.1 Å²	79.1	81%	0.808	35%	0.354	S	S	*	.	H	α-helix	trans	-70.9	-20.7	178	-72.2	172.4	-172	-174.8	3.8	114.4	S427 M429	S427-R431 WeakPolarHBondContact O-CB 3.22Å; S427-R431 VanDerWaalsContact O-CG 3.23Å; S427-R431 WeakPolarHBondContact O-CG 3.47Å; S427-R431 PolarHBondContact O-N 2.81Å; M429-R431 VanDerWaalsContact C-N 3.3Å; M429-R431 PolarHBondContact O-N 3.27Å
432	K	97	Very high	96.7	Very high	136 Å²	136	80.9 Å²	80.9	59%	0.591	37%	0.374	S	S	*	.	H	α-helix	trans	-97.2	-23.1	-177	-75.9	-176	172.6	-165.1	0	113.9	L381 R428 M429 I430	L381-K432 HydrophobicContact CD2-CB 3.56Å; R428-K432 WeakPolarHBondContact O-CG 3.09Å; R428-K432 PolarHBondContact O-N 3.07Å; M429-K432 PolarHBondContact O-N 3.37Å; I430-K432 VanDerWaalsContact C-N 3.3Å; I430-K432 PolarHBondContact O-N 2.88Å
433	T	97	Very high	96.5	Very high	5 Å²	5	88.1 Å²	88.1	3%	0.031	40%	0.398	C	S	.	.			trans	-67.5	144.7	-174.7	-178.7	0	0	0	0	112.3	L379 M429 I430 K435 Q436 F439	L379-T433 HydrophobicContact CD2-CG2 4.26Å; L379-T433 WeakPolarHBondContact O-CB 3.33Å; L379-T433 PolarHBondContact O-OG1 3Å; M429-T433 PolarHBondContact O-N 3.11Å; I430-T433 WeakPolarHBondContact O-CG2 3.43Å; T433-K435 WeakPolarHBondContact OG1-CB 3.19Å; T433-K435 PolarHBondContact OG1-N 2.98Å; T433-Q436 PolarHBondContact O-NE2 3.22Å; T433-F439 HydrophobicContact CG2-CD2 4.29Å; T433-F439 HydrophobicContact CG2-CE2 3.99Å
434	R	94.6	Very high	96.4	Very high	218 Å²	218	88 Å²	88	82%	0.823	39%	0.391	S	S	*	.	S	Bend	trans	-74.8	-17.1	166.1	-64.9	-179.7	178.7	179	0.2	112.1	Q436	R434-Q436 PolarHBondContact O-N 3.42Å
435	K	95.8	Very high	96.4	Very high	43 Å²	43	86.5 Å²	86.5	19%	0.187	38%	0.378	C	S	.	.			trans	-81.3	42.3	179.3	-55.7	-54.9	-159.6	-148.2	0	113.3	E380 T433 K437 Y438	E380-K435 VanDerWaalsContact OE1-CE 3.29Å; E380-K435 WeakPolarHBondContact OE1-CE 3.36Å; E380-K435 IonicContact OE1-NZ 2.84Å; E380-K435 PolarHBondContact OE1-NZ 2.94Å; E380-K435 WeakPolarHBondContact OE2-CE 3.42Å; E380-K435 IonicContact OE2-NZ 3.62Å; E380-K435 PolarHBondContact OE2-NZ 3.25Å; T433-K435 WeakPolarHBondContact OG1-CB 3.19Å; T433-K435 PolarHBondContact OG1-N 2.98Å; K435-K437 PolarHBondContact O-N 2.62Å; K435-Y438 HydrophobicContact CB-CD2 3.48Å; K435-Y438 VanDerWaalsContact CB-CD2 3.48Å; K435-Y438 HydrophobicContact CB-CE2 3.58Å; K435-Y438 HydrophobicContact CB-CG 4.3Å; K435-Y438 HydrophobicContact CD-CE2 4.21Å; K435-Y438 HydrophobicContact CG-CD2 4.16Å; K435-Y438 HydrophobicContact CG-CE2 3.75Å; K435-Y438 PolarHBondContact O-N 3.16Å
436	Q	95.1	Very high	96.3	Very high	91 Å²	91	89 Å²	89	43%	0.425	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-54.4	-27.5	178.7	-66.8	-59.9	-39.6	0	0	113	I430 T433 R434 Y438 F439	I430-Q436 PolarHBondContact O-NE2 2.79Å; T433-Q436 PolarHBondContact O-NE2 3.22Å; R434-Q436 PolarHBondContact O-N 3.42Å; Q436-Y438 PolarHBondContact O-N 3.22Å; Q436-F439 PolarHBondContact O-N 3.36Å; Q436-F439 VanDerWaalsContact O-O 3.08Å
437	K	96.9	Very high	96.1	Very high	150 Å²	150	91.8 Å²	91.8	65%	0.652	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-59	-12.7	173.2	72.5	171.6	-173.4	172	0	115.5	R412 K435	R412-K437 PolarHBondContact NH2-O 2.95Å; K435-K437 PolarHBondContact O-N 2.62Å
438	Y	97.2	Very high	95.9	Very high	21 Å²	21	93.8 Å²	93.8	8%	0.082	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-86.8	-7.5	173.4	-60.4	-32.4	0	0	0	113	N411 R412 L415 K435 Q436 L444 D445	N411-Y438 HydrophobicContact CB-CE1 4.48Å; N411-Y438 HydrophobicContact CB-CE2 4.06Å; N411-Y438 WeakPolarHBondContact CB-OH 3.41Å; N411-Y438 PolarHBondContact ND2-OH 2.95Å; N411-Y438 VanDerWaalsContact ND2-OH 3.12Å; R412-Y438 HydrophobicContact CB-CD1 4.12Å; R412-Y438 HydrophobicContact CB-CE1 4.41Å; R412-Y438 HydrophobicContact CG-CD1 4.49Å; L415-Y438 HydrophobicContact CD1-CD2 3.87Å; L415-Y438 HydrophobicContact CD1-CG 4.39Å; K435-Y438 HydrophobicContact CB-CD2 3.48Å; K435-Y438 VanDerWaalsContact CB-CD2 3.48Å; K435-Y438 HydrophobicContact CB-CE2 3.58Å; K435-Y438 HydrophobicContact CB-CG 4.3Å; K435-Y438 HydrophobicContact CD-CE2 4.21Å; K435-Y438 HydrophobicContact CG-CD2 4.16Å; K435-Y438 HydrophobicContact CG-CE2 3.75Å; K435-Y438 PolarHBondContact O-N 3.16Å; Q436-Y438 PolarHBondContact O-N 3.22Å; Y438-L444 WeakPolarHBondContact O-CD1 3.22Å; Y438-D445 WeakPolarHBondContact O-CB 3.44Å; Y438-D445 PolarHBondContact O-N 3.4Å
439	F	97.7	Very high	95.8	Very high	20 Å²	20	93.1 Å²	93.1	9%	0.088	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.8	-170.3	-57.8	-85.1	0	0	0	112.5	L379 L415 I430 T433 Q436 R443 L444	L379-F439 HydrophobicContact CD2-CE2 3.67Å; L379-F439 HydrophobicContact CD2-CZ 3.79Å; L415-F439 HydrophobicContact CD1-CZ 4.17Å; I430-F439 HydrophobicContact CB-CD1 4.5Å; I430-F439 HydrophobicContact CD1-CD1 3.85Å; I430-F439 HydrophobicContact CD1-CE1 3.74Å; I430-F439 HydrophobicContact CG1-CD1 4.01Å; I430-F439 HydrophobicContact CG1-CE1 3.69Å; I430-F439 HydrophobicContact CG1-CZ 4.04Å; I430-F439 HydrophobicContact CG2-CB 4Å; I430-F439 HydrophobicContact CG2-CD1 3.74Å; I430-F439 HydrophobicContact CG2-CD2 4.01Å; I430-F439 HydrophobicContact CG2-CE1 4.23Å; I430-F439 HydrophobicContact CG2-CE2 4.45Å; I430-F439 HydrophobicContact CG2-CG 3.64Å; T433-F439 HydrophobicContact CG2-CD2 4.29Å; T433-F439 HydrophobicContact CG2-CE2 3.99Å; Q436-F439 PolarHBondContact O-N 3.36Å; Q436-F439 VanDerWaalsContact O-O 3.08Å; F439-R443 CarbonylContact C-O 3.57Å; F439-R443 WeakPolarHBondContact CA-O 3.27Å; F439-R443 WeakPolarHBondContact CB-O 3.22Å; F439-L444 HydrophobicContact CD1-CB 4.47Å; F439-L444 HydrophobicContact CD1-CD1 4.25Å; F439-L444 HydrophobicContact CE1-CB 4.46Å; F439-L444 HydrophobicContact CE1-CD1 3.83Å; F439-L444 HydrophobicContact CZ-CD1 4.23Å
440	Y	95.9	Very high	95.6	Very high	140 Å²	140	94.6 Å²	94.6	55%	0.549	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.7	171.1	-174.2	-107.7	0	0	0	109.7	G442 R443	Y440-G442 PolarHBondContact O-N 2.77Å; Y440-G442 VanDerWaalsContact O-N 3.08Å; Y440-R443 PolarHBondContact N-O 3.29Å; Y440-R443 PolarHBondContact O-N 3.46Å
441	R	93.4	Very high	95.5	Very high	213 Å²	213	99.5 Å²	99.5	80%	0.804	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	34.3	-177	-59.6	-179.5	-173.7	-163.8	3.3	114.4
442	G	91.8	Very high	95.3	Very high	43 Å²	43	90.6 Å²	90.6	44%	0.443	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	14.8	178.3	0	0	0	0	0	115.4	I430 Y440	I430-G442 WeakPolarHBondContact CD1-O 3.43Å; Y440-G442 PolarHBondContact O-N 2.77Å; Y440-G442 VanDerWaalsContact O-N 3.08Å
443	R	95	Very high	95.2	Very high	199 Å²	199	84.1 Å²	84.1	75%	0.751	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	159.8	169	-62.1	-174.9	179.3	-140.6	-1.5	109.7	F439 Y440 D445	F439-R443 CarbonylContact C-O 3.57Å; F439-R443 WeakPolarHBondContact CA-O 3.27Å; F439-R443 WeakPolarHBondContact CB-O 3.22Å; Y440-R443 PolarHBondContact N-O 3.29Å; Y440-R443 PolarHBondContact O-N 3.46Å; R443-D445 PolarHBondContact O-N 3.46Å
444	L	97.1	Very high	95.2	Very high	21 Å²	21	89.2 Å²	89.2	11%	0.11	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	130.7	174.5	-166.7	73.2	0	0	0	110.2	R412 L415 A416 E419 Y438 F439 W446	R412-L444 HydrophobicContact CG-CD1 4.42Å; L415-L444 HydrophobicContact CB-CD1 3.72Å; L415-L444 HydrophobicContact CB-CD2 4.09Å; L415-L444 HydrophobicContact CD1-CD1 4Å; A416-L444 HydrophobicContact CB-CD2 3.66Å; E419-L444 WeakPolarHBondContact OE2-CB 3.47Å; Y438-L444 WeakPolarHBondContact O-CD1 3.22Å; F439-L444 HydrophobicContact CD1-CB 4.47Å; F439-L444 HydrophobicContact CD1-CD1 4.25Å; F439-L444 HydrophobicContact CE1-CB 4.46Å; F439-L444 HydrophobicContact CE1-CD1 3.83Å; F439-L444 HydrophobicContact CZ-CD1 4.23Å; L444-W446 VanDerWaalsContact C-N 3.3Å; L444-W446 HydrophobicContact CD2-CB 3.96Å; L444-W446 HydrophobicContact CD2-CG 4.44Å; L444-W446 HydrophobicContact CG-CB 4.13Å; L444-W446 PolarHBondContact O-N 2.88Å; L444-W446 VanDerWaalsContact O-N 3.07Å
445	D	96.7	Very high	95.2	Very high	73 Å²	73	82.1 Å²	82.1	39%	0.39	40%	0.4	S	S	.	.			trans	-81.7	76.8	176	179.6	45.6	0	0	0	109.2	R412 Y438 R443	R412-D445 VanDerWaalsContact CD-O 3.22Å; R412-D445 WeakPolarHBondContact CD-O 3.38Å; R412-D445 VanDerWaalsContact CZ-O 3.31Å; R412-D445 IonicContact CZ-OD2 2.71Å; R412-D445 PolarHBondContact NE-O 2.7Å; R412-D445 PolarHBondContact NH1-O 3.18Å; R412-D445 IonicContact NH1-OD2 2.8Å; R412-D445 IonicContact NH2-OD2 3.46Å; R412-D445 PolarHBondContact NH2-OD2 3.15Å; Y438-D445 WeakPolarHBondContact O-CB 3.44Å; Y438-D445 PolarHBondContact O-N 3.4Å; R443-D445 PolarHBondContact O-N 3.46Å
446	W	96	Very high	95.3	Very high	57 Å²	57	80.3 Å²	80.3	22%	0.216	39%	0.392	C	S	.	.			trans	-124.2	120.4	-172.5	-175.9	-113.6	0	0	0	111.5	R412 E413 A416 L444 E448 A452 V456	R412-W446 HydrophobicContact CG-CE3 3.91Å; R412-W446 HydrophobicContact CG-CZ3 4.3Å; E413-W446 HydrophobicContact CB-CH2 3.63Å; E413-W446 HydrophobicContact CB-CZ3 4.02Å; E413-W446 HydrophobicContact CG-CH2 3.83Å; E413-W446 HydrophobicContact CG-CZ2 4.35Å; A416-W446 HydrophobicContact CB-CD2 3.63Å; A416-W446 HydrophobicContact CB-CE3 4.22Å; A416-W446 HydrophobicContact CB-CG 3.83Å; A416-W446 HydrophobicContact CB-CZ2 4.01Å; L444-W446 VanDerWaalsContact C-N 3.3Å; L444-W446 HydrophobicContact CD2-CB 3.96Å; L444-W446 HydrophobicContact CD2-CG 4.44Å; L444-W446 HydrophobicContact CG-CB 4.13Å; L444-W446 PolarHBondContact O-N 2.88Å; L444-W446 VanDerWaalsContact O-N 3.07Å; W446-E448 PolarHBondContact O-N 2.68Å; W446-A452 HydrophobicContact CH2-CB 3.67Å; W446-A452 HydrophobicContact CZ2-CB 3.98Å; W446-V456 HydrophobicContact CZ2-CG2 3.85Å
447	D	94.5	Very high	95.2	Very high	87 Å²	87	80.3 Å²	80.3	47%	0.465	39%	0.388	S	S	.	.			trans	-80.3	101.3	172.4	175.1	26.2	0	0	0	110.3	S449 S450	D447-S449 VanDerWaalsContact C-N 3.25Å; D447-S449 VanDerWaalsContact CG-OG 3.3Å; D447-S449 PolarHBondContact O-N 2.93Å; D447-S449 WeakPolarHBondContact OD1-CA 3.42Å; D447-S449 WeakPolarHBondContact OD1-CB 3.37Å; D447-S449 PolarHBondContact OD1-N 3.35Å; D447-S449 PolarHBondContact OD1-OG 3.03Å; D447-S449 PolarHBondContact OD2-OG 3.46Å; D447-S450 WeakPolarHBondContact O-CB 3.35Å; D447-S450 PolarHBondContact O-N 3.37Å; D447-S450 PolarHBondContact O-OG 3.44Å; D447-S450 WeakPolarHBondContact OD2-CB 3.5Å; D447-S450 PolarHBondContact OD2-N 3.29Å; D447-S450 VanDerWaalsContact OD2-N 3.15Å
448	E	92.6	Very high	95.1	Very high	113 Å²	113	78.2 Å²	78.2	53%	0.528	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-32.9	171.8	-86.3	-150.3	-125.7	0	0	113.3	W446 S450 G453 R457	W446-E448 PolarHBondContact O-N 2.68Å; E448-S450 VanDerWaalsContact C-N 3.28Å; E448-S450 PolarHBondContact O-N 3.26Å; E448-G453 CarbonylContact O-C 3.44Å; E448-R457 VanDerWaalsContact C-NH1 3.32Å; E448-R457 PolarHBondContact O-NH1 3.48Å; E448-R457 PolarHBondContact O-NH2 3.28Å; E448-R457 VanDerWaalsContact OE2-CD 3.31Å; E448-R457 WeakPolarHBondContact OE2-CD 3.36Å; E448-R457 IonicContact OE2-CZ 2.76Å; E448-R457 IonicContact OE2-NE 2.83Å; E448-R457 IonicContact OE2-NH1 3.88Å; E448-R457 PolarHBondContact OE2-NH1 2.91Å
449	S	94	Very high	95	Very high	101 Å²	101	78.8 Å²	78.8	71%	0.706	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.2	-176.6	73	0	0	0	0	114	D447	D447-S449 VanDerWaalsContact C-N 3.25Å; D447-S449 VanDerWaalsContact CG-OG 3.3Å; D447-S449 PolarHBondContact O-N 2.93Å; D447-S449 WeakPolarHBondContact OD1-CA 3.42Å; D447-S449 WeakPolarHBondContact OD1-CB 3.37Å; D447-S449 PolarHBondContact OD1-N 3.35Å; D447-S449 PolarHBondContact OD1-OG 3.03Å; D447-S449 PolarHBondContact OD2-OG 3.46Å
450	S	95.5	Very high	95	Very high	35 Å²	35	77.9 Å²	77.9	25%	0.245	38%	0.382	C	S	.	.	S	Bend	trans	-59.8	164.6	176.7	72	0	0	0	0	114.2	D447 E448 A452 G453 K454	D447-S450 WeakPolarHBondContact O-CB 3.35Å; D447-S450 PolarHBondContact O-N 3.37Å; D447-S450 PolarHBondContact O-OG 3.44Å; D447-S450 WeakPolarHBondContact OD2-CB 3.5Å; D447-S450 PolarHBondContact OD2-N 3.29Å; D447-S450 VanDerWaalsContact OD2-N 3.15Å; E448-S450 VanDerWaalsContact C-N 3.28Å; E448-S450 PolarHBondContact O-N 3.26Å; S450-A452 VanDerWaalsContact C-N 3.34Å; S450-A452 PolarHBondContact O-N 3.45Å; S450-G453 PolarHBondContact O-N 3.32Å; S450-G453 PolarHBondContact OG-N 2.9Å; S450-K454 WeakPolarHBondContact O-CB 3.35Å; S450-K454 PolarHBondContact O-N 3.25Å
451	S	94.1	Very high	95	Very high	109 Å²	109	73.8 Å²	73.8	76%	0.762	37%	0.366	S	S	*	.	H	α-helix	trans	-58.7	-43.1	173.7	49.3	0	0	0	0	112.6	K454 Y455	S451-K454 PolarHBondContact O-N 3.48Å; S451-Y455 PolarHBondContact O-N 3.03Å
452	A	93.9	Very high	95.2	Very high	28 Å²	28	66.3 Å²	66.3	23%	0.231	35%	0.345	C	S	.	.	H	α-helix	trans	-66.7	-43.6	174.6	0	0	0	0	0	111.4	W446 S450 K454 Y455 V456	W446-A452 HydrophobicContact CH2-CB 3.67Å; W446-A452 HydrophobicContact CZ2-CB 3.98Å; S450-A452 VanDerWaalsContact C-N 3.34Å; S450-A452 PolarHBondContact O-N 3.45Å; A452-K454 VanDerWaalsContact C-N 3.28Å; A452-K454 PolarHBondContact O-N 2.97Å; A452-Y455 WeakPolarHBondContact O-CB 3.34Å; A452-Y455 PolarHBondContact O-N 3.44Å; A452-Y455 VanDerWaalsContact O-N 3.11Å; A452-V456 WeakPolarHBondContact O-CG2 3.48Å; A452-V456 PolarHBondContact O-N 3.35Å
453	G	95.4	Very high	95.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.7	-38.7	174.5	0	0	0	0	0	113	E448 S450 R457	E448-G453 CarbonylContact O-C 3.44Å; S450-G453 PolarHBondContact O-N 3.32Å; S450-G453 PolarHBondContact OG-N 2.9Å; G453-R457 PolarHBondContact O-N 2.9Å; G453-R457 PolarHBondContact O-NH1 3.21Å
454	K	95.9	Very high	95.7	Very high	111 Å²	111	59.6 Å²	59.6	48%	0.483	31%	0.307	S	S	.	.	H	α-helix	trans	-65.7	-46.2	171.5	-175.4	179.2	175.8	-178.5	0	112.2	S450 S451 A452 V456 R457 E458	S450-K454 WeakPolarHBondContact O-CB 3.35Å; S450-K454 PolarHBondContact O-N 3.25Å; S451-K454 PolarHBondContact O-N 3.48Å; A452-K454 VanDerWaalsContact C-N 3.28Å; A452-K454 PolarHBondContact O-N 2.97Å; K454-V456 PolarHBondContact O-N 2.69Å; K454-R457 PolarHBondContact O-N 3.26Å; K454-E458 WeakPolarHBondContact CE-OE1 3.3Å; K454-E458 HydrophobicContact CG-CG 4.42Å; K454-E458 WeakPolarHBondContact CG-OE1 3.46Å; K454-E458 IonicContact NZ-OE1 2.81Å; K454-E458 WeakPolarHBondContact O-CB 3.44Å; K454-E458 WeakPolarHBondContact O-CG 3.36Å; K454-E458 PolarHBondContact O-N 2.87Å
455	Y	95.3	Very high	95.7	Very high	70 Å²	70	67.2 Å²	67.2	28%	0.275	33%	0.334	S	S	.	.	H	α-helix	trans	-56.8	-48.4	175.8	172.2	-96.6	0	0	0	111.6	Q407 S451 A452 R457 E458 N459	Q407-Y455 PolarHBondContact OE1-OH 3.22Å; S451-Y455 PolarHBondContact O-N 3.03Å; A452-Y455 WeakPolarHBondContact O-CB 3.34Å; A452-Y455 PolarHBondContact O-N 3.44Å; A452-Y455 VanDerWaalsContact O-N 3.11Å; Y455-R457 PolarHBondContact O-N 3.12Å; Y455-E458 PolarHBondContact O-N 3.25Å; Y455-N459 WeakPolarHBondContact CD2-ND2 2.99Å; Y455-N459 HydrophobicContact CE2-CB 4.44Å; Y455-N459 WeakPolarHBondContact CE2-ND2 3.29Å; Y455-N459 WeakPolarHBondContact O-CB 3.29Å; Y455-N459 PolarHBondContact O-N 3.04Å; Y455-N459 PolarHBondContact O-ND2 2.85Å
456	V	96.6	Very high	95.7	Very high	5 Å²	5	64.8 Å²	64.8	3%	0.03	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-46.6	177	175.1	0	0	0	0	111	E413 A416 M417 R420 W446 A452 K454 E458 C460	E413-V456 HydrophobicContact CG-CG2 3.99Å; A416-V456 HydrophobicContact CB-CG1 4.44Å; M417-V456 HydrophobicContact CG-CG1 4.27Å; M417-V456 HydrophobicContact CG-CG2 3.86Å; R420-V456 HydrophobicContact CB-CG1 4.16Å; R420-V456 HydrophobicContact CG-CG1 4.34Å; W446-V456 HydrophobicContact CZ2-CG2 3.85Å; A452-V456 WeakPolarHBondContact O-CG2 3.48Å; A452-V456 PolarHBondContact O-N 3.35Å; K454-V456 PolarHBondContact O-N 2.69Å; V456-E458 VanDerWaalsContact C-N 3.35Å; V456-E458 PolarHBondContact O-N 3.02Å; V456-C460 HydrophobicContact CG1-CB 4.24Å; V456-C460 WeakPolarHBondContact O-CA 3.39Å; V456-C460 WeakPolarHBondContact O-CB 3.44Å; V456-C460 PolarHBondContact O-N 2.83Å
457	R	94.4	Very high	95.8	Very high	90 Å²	90	63.6 Å²	63.6	34%	0.34	32%	0.317	S	S	.	.	H	α-helix	trans	-60.5	-39.2	178.3	-96.6	-161.7	-52.6	-64.2	-8.7	114.4	E448 G453 K454 Y455	E448-R457 VanDerWaalsContact C-NH1 3.32Å; E448-R457 PolarHBondContact O-NH1 3.48Å; E448-R457 PolarHBondContact O-NH2 3.28Å; E448-R457 VanDerWaalsContact OE2-CD 3.31Å; E448-R457 WeakPolarHBondContact OE2-CD 3.36Å; E448-R457 IonicContact OE2-CZ 2.76Å; E448-R457 IonicContact OE2-NE 2.83Å; E448-R457 IonicContact OE2-NH1 3.88Å; E448-R457 PolarHBondContact OE2-NH1 2.91Å; G453-R457 PolarHBondContact O-N 2.9Å; G453-R457 PolarHBondContact O-NH1 3.21Å; K454-R457 PolarHBondContact O-N 3.26Å; Y455-R457 PolarHBondContact O-N 3.12Å
458	E	94.4	Very high	95.8	Very high	107 Å²	107	64.7 Å²	64.7	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-79.6	-34.1	-174.9	-72.8	-178	-175.2	0	0	112.5	K454 Y455 V456	K454-E458 WeakPolarHBondContact CE-OE1 3.3Å; K454-E458 HydrophobicContact CG-CG 4.42Å; K454-E458 WeakPolarHBondContact CG-OE1 3.46Å; K454-E458 IonicContact NZ-OE1 2.81Å; K454-E458 WeakPolarHBondContact O-CB 3.44Å; K454-E458 WeakPolarHBondContact O-CG 3.36Å; K454-E458 PolarHBondContact O-N 2.87Å; Y455-E458 PolarHBondContact O-N 3.25Å; V456-E458 VanDerWaalsContact C-N 3.35Å; V456-E458 PolarHBondContact O-N 3.02Å
459	N	94.6	Very high	96	Very high	32 Å²	32	61.5 Å²	61.5	17%	0.171	31%	0.313	C	S	.	.	H	α-helix	trans	-102.7	-29.3	-172.4	-61.7	-73.1	0	0	0	113.6	Y455 Y466	Y455-N459 WeakPolarHBondContact CD2-ND2 2.99Å; Y455-N459 HydrophobicContact CE2-CB 4.44Å; Y455-N459 WeakPolarHBondContact CE2-ND2 3.29Å; Y455-N459 WeakPolarHBondContact O-CB 3.29Å; Y455-N459 PolarHBondContact O-N 3.04Å; Y455-N459 PolarHBondContact O-ND2 2.85Å; N459-Y466 PolarHBondContact O-OH 3.03Å
460	C	97.1	Very high	96.1	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.014	31%	0.313	C	S	.	.			trans	-95.6	128.7	179.2	-58.8	0	0	0	0	112.1	M417 R420 I421 V456 Y466	M417-C460 WeakPolarHBondContact CE-SG 3.4Å; R420-C460 HydrophobicContact CB-CB 4Å; R420-C460 HydrophobicContact CG-CB 3.46Å; R420-C460 VanDerWaalsContact CG-CB 3.46Å; R420-C460 VanDerWaalsContact CG-O 3.28Å; R420-C460 WeakPolarHBondContact CG-O 3.34Å; R420-C460 PolarHBondContact NE-O 2.71Å; I421-C460 HydrophobicContact CD1-CB 4.1Å; I421-C460 HydrophobicContact CG1-CB 3.92Å; V456-C460 HydrophobicContact CG1-CB 4.24Å; V456-C460 WeakPolarHBondContact O-CA 3.39Å; V456-C460 WeakPolarHBondContact O-CB 3.44Å; V456-C460 PolarHBondContact O-N 2.83Å; C460-Y466 WeakPolarHBondContact CA-OH 3.45Å
461	K	96.9	Very high	96.1	Very high	53 Å²	53	64.3 Å²	64.3	23%	0.23	32%	0.319	C	S	.	.			trans	-128	158.9	178.1	-56.9	173.3	-169.2	164.5	0	109.9	F76 I421 L463 R465 Y466	F76-K461 VanDerWaalsContact CZ-NZ 3.26Å; I421-K461 WeakPolarHBondContact CA-O 3.34Å; I421-K461 WeakPolarHBondContact CG1-O 3.39Å; K461-L463 PolarHBondContact O-N 3.14Å; K461-R465 HydrophobicContact CB-CB 4.13Å; K461-R465 HydrophobicContact CD-CB 4.33Å; K461-Y466 HydrophobicContact CB-CE2 3.99Å; K461-Y466 PolarHBondContact N-OH 3.46Å; K461-Y466 WeakPolarHBondContact O-CE2 3.47Å
462	P	98.4	Very high	96.3	Very high	56 Å²	56	64.9 Å²	64.9	36%	0.364	31%	0.31	S	S	.	.			trans	-51.7	136.9	169.4	-27.8	35.3	0	0	0	111.9	I421 R464 R465	I421-P462 WeakPolarHBondContact O-CA 3.37Å; P462-R464 PolarHBondContact O-N 3.06Å; P462-R465 VanDerWaalsContact O-CB 3.3Å; P462-R465 WeakPolarHBondContact O-CB 3.35Å; P462-R465 PolarHBondContact O-N 3.2Å
463	L	98.1	Very high	96.4	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.021	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-50.3	-49.7	-164.1	-175.5	53.1	0	0	0	114.3	F397 I421 L422 K461 R465 Y466 F478 I481 E482 L485	F397-L463 HydrophobicContact CD2-CD1 3.73Å; F397-L463 HydrophobicContact CE2-CD1 3.72Å; I421-L463 HydrophobicContact CG2-CB 3.9Å; I421-L463 HydrophobicContact CG2-CD1 4.18Å; I421-L463 PolarHBondContact O-N 3.02Å; L422-L463 HydrophobicContact CD2-CB 4.47Å; L422-L463 HydrophobicContact CD2-CD2 3.81Å; K461-L463 PolarHBondContact O-N 3.14Å; L463-R465 PolarHBondContact O-N 3.36Å; L463-Y466 WeakPolarHBondContact O-CD2 3.1Å; L463-Y466 PolarHBondContact O-N 2.9Å; L463-F478 HydrophobicContact CD1-CD1 4.29Å; L463-F478 HydrophobicContact CD1-CE1 3.9Å; L463-F478 HydrophobicContact CG-CD1 4Å; L463-F478 HydrophobicContact CG-CE1 4.09Å; L463-F478 VanDerWaalsContact O-CE1 3.29Å; L463-F478 WeakPolarHBondContact O-CE1 3.43Å; L463-I481 HydrophobicContact CD2-CG2 4.02Å; L463-E482 HydrophobicContact CD2-CG 3.58Å; L463-E482 HydrophobicContact CG-CG 4.42Å; L463-L485 HydrophobicContact CD2-CD1 4.18Å
464	R	97.5	Very high	96.5	Very high	97 Å²	97	67.5 Å²	67.5	37%	0.366	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-60.7	-12.4	178.8	-56.7	-159	172.1	-130.2	1.8	115.3	P462 Y466 L467 D479 E482	P462-R464 PolarHBondContact O-N 3.06Å; R464-Y466 PolarHBondContact O-N 3.23Å; R464-L467 HydrophobicContact CB-CD1 4.31Å; R464-L467 PolarHBondContact O-N 3.43Å; R464-D479 IonicContact NH2-OD1 3.81Å; R464-D479 PolarHBondContact NH2-OD1 2.89Å; R464-E482 WeakPolarHBondContact CG-OE1 3.47Å; R464-E482 IonicContact CZ-OE1 2.86Å; R464-E482 IonicContact CZ-OE2 3.82Å; R464-E482 VanDerWaalsContact CZ-OE2 3.27Å; R464-E482 VanDerWaalsContact NE-CD 3.31Å; R464-E482 IonicContact NE-OE1 3.67Å; R464-E482 PolarHBondContact NE-OE1 2.96Å; R464-E482 IonicContact NE-OE2 3.24Å; R464-E482 PolarHBondContact NE-OE2 2.67Å; R464-E482 IonicContact NH2-OE1 2.77Å; R464-E482 IonicContact NH2-OE2 2.92Å; R464-E482 PolarHBondContact NH2-OE2 2.85Å
465	R	97.6	Very high	96.6	Very high	182 Å²	182	64.6 Å²	64.6	69%	0.687	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-76.6	2.3	172.1	-63.2	-165.4	176.6	-175.1	-3.6	114.4	K461 P462 L463	K461-R465 HydrophobicContact CB-CB 4.13Å; K461-R465 HydrophobicContact CD-CB 4.33Å; P462-R465 VanDerWaalsContact O-CB 3.3Å; P462-R465 WeakPolarHBondContact O-CB 3.35Å; P462-R465 PolarHBondContact O-N 3.2Å; L463-R465 PolarHBondContact O-N 3.36Å
466	Y	97.9	Very high	96.8	Very high	22 Å²	22	62.4 Å²	62.4	9%	0.086	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-102.3	3	172	-63.5	-81.5	0	0	0	113.6	F397 L401 F403 N459 C460 K461 L463 R464 L468	F397-Y466 HydrophobicContact CE2-CD1 4.38Å; F397-Y466 AromaticContact CE2-CD2 3.73Å; F397-Y466 HydrophobicContact CE2-CD2 3.73Å; F397-Y466 HydrophobicContact CE2-CE2 4.34Å; F397-Y466 AromaticContact CE2-CG 3.76Å; F397-Y466 HydrophobicContact CE2-CG 3.76Å; F397-Y466 HydrophobicContact CZ-CD1 4.01Å; F397-Y466 AromaticContact CZ-CD2 3.94Å; F397-Y466 HydrophobicContact CZ-CD2 3.94Å; F397-Y466 HydrophobicContact CZ-CE1 4.27Å; F397-Y466 HydrophobicContact CZ-CE2 4.21Å; F397-Y466 AromaticContact CZ-CG 3.85Å; F397-Y466 HydrophobicContact CZ-CG 3.85Å; L401-Y466 HydrophobicContact CD1-CD1 3.78Å; L401-Y466 HydrophobicContact CD1-CG 4Å; F403-Y466 HydrophobicContact CE2-CE1 4.49Å; F403-Y466 HydrophobicContact CZ-CD1 4.14Å; F403-Y466 HydrophobicContact CZ-CE1 4.01Å; N459-Y466 PolarHBondContact O-OH 3.03Å; C460-Y466 WeakPolarHBondContact CA-OH 3.45Å; K461-Y466 HydrophobicContact CB-CE2 3.99Å; K461-Y466 PolarHBondContact N-OH 3.46Å; K461-Y466 WeakPolarHBondContact O-CE2 3.47Å; L463-Y466 WeakPolarHBondContact O-CD2 3.1Å; L463-Y466 PolarHBondContact O-N 2.9Å; R464-Y466 PolarHBondContact O-N 3.23Å; Y466-L468 PolarHBondContact O-N 2.96Å
467	L	97.1	Very high	96.9	Very high	31 Å²	31	62.2 Å²	62.2	16%	0.162	30%	0.296	C	S	.	.			trans	-57.9	128.4	169.6	-77.3	163.8	0	0	0	110.5	R464 H474 H475 F478	R464-L467 HydrophobicContact CB-CD1 4.31Å; R464-L467 PolarHBondContact O-N 3.43Å; L467-H474 HydrophobicContact CD2-CB 3.8Å; L467-H474 WeakPolarHBondContact CD2-O 3.36Å; L467-H475 VanDerWaalsContact CD1-CE1 3.46Å; L467-H475 WeakPolarHBondContact CD1-CE1 3.48Å; L467-F478 HydrophobicContact CD2-CB 4.23Å; L467-F478 HydrophobicContact CD2-CD1 4.43Å; L467-F478 HydrophobicContact CD2-CD2 3.37Å; L467-F478 HydrophobicContact CD2-CE2 3.81Å; L467-F478 HydrophobicContact CD2-CG 3.73Å; L467-F478 HydrophobicContact CD2-CZ 4.49Å; L467-F478 HydrophobicContact CG-CD1 4.27Å; L467-F478 HydrophobicContact CG-CD2 4.05Å; L467-F478 HydrophobicContact CG-CE1 4.49Å; L467-F478 HydrophobicContact CG-CE2 4.28Å; L467-F478 HydrophobicContact CG-CG 4.04Å; L467-F478 HydrophobicContact CG-CZ 4.49Å
468	L	94.6	Very high	97.1	Very high	111 Å²	111	57.9 Å²	57.9	58%	0.581	28%	0.28	S	S	*	.	S	Bend	trans	-90.5	-12.6	176.6	-55.7	175.8	0	0	0	112.8	Y400 L401 Y466	Y400-L468 HydrophobicContact CE1-CB 4.35Å; Y400-L468 HydrophobicContact CE1-CD1 4.03Å; Y400-L468 HydrophobicContact CE1-CG 3.74Å; Y400-L468 HydrophobicContact CE2-CD1 4.24Å; Y400-L468 VanDerWaalsContact OH-CB 3.28Å; Y400-L468 WeakPolarHBondContact OH-CB 3.45Å; Y400-L468 PolarHBondContact OH-N 3.01Å; L401-L468 HydrophobicContact CD2-CD1 3.94Å; L401-L468 HydrophobicContact CD2-CD2 3.88Å; L401-L468 HydrophobicContact CD2-CG 3.84Å; Y466-L468 PolarHBondContact O-N 2.96Å
469	S	96.2	Very high	97.3	Very high	46 Å²	46	56.1 Å²	56.1	32%	0.322	27%	0.273	S	S	.	.			trans	-157.5	146.9	-173.9	170.1	0	0	0	0	110.1	A471 H474	S469-A471 VanDerWaalsContact C-N 3.33Å; S469-A471 PolarHBondContact OG-N 3.43Å; S469-H474 WeakPolarHBondContact CB-CD2 3.28Å; S469-H474 WeakPolarHBondContact CB-NE2 3.18Å; S469-H474 PolarHBondContact OG-CD2 2.82Å
470	E	95.9	Very high	97.5	Very high	150 Å²	150	54.6 Å²	54.6	70%	0.701	27%	0.265	S	S	*	.			trans	-88.2	3.1	177.2	-64.8	-62.3	160.2	0	0	113.1	H475	E470-H475 IonicContact OE2-CE1 3.99Å; E470-H475 PolarHBondContact OE2-CE1 2.9Å; E470-H475 IonicContact OE2-NE2 2.63Å; E470-H475 PolarHBondContact OE2-NE2 2.8Å
471	A	96.6	Very high	97.6	Very high	45 Å²	45	54.5 Å²	54.5	37%	0.372	27%	0.265	S	S	.	.	S	Bend	trans	-68.5	141	175.5	0	0	0	0	0	111.1	S469 E473 H474	S469-A471 VanDerWaalsContact C-N 3.33Å; S469-A471 PolarHBondContact OG-N 3.43Å; A471-E473 VanDerWaalsContact C-N 3.26Å; A471-E473 PolarHBondContact O-N 2.96Å; A471-E473 VanDerWaalsContact O-N 3.08Å; A471-H474 WeakPolarHBondContact O-CB 3.48Å; A471-H474 PolarHBondContact O-N 3.03Å
472	E	96.9	Very high	97.6	Very high	121 Å²	121	54.9 Å²	54.9	57%	0.565	27%	0.267	S	S	*	.	H	α-helix	trans	-47.7	-42	-170.8	176.4	58.3	-158.1	0	0	114	H474 H475 Q476	E472-H474 PolarHBondContact O-N 2.97Å; E472-H474 VanDerWaalsContact O-N 3.16Å; E472-H475 PolarHBondContact O-N 3.43Å; E472-H475 VanDerWaalsContact O-N 3.09Å; E472-Q476 HydrophobicContact CG-CG 4.31Å; E472-Q476 WeakPolarHBondContact O-CG 3.45Å; E472-Q476 PolarHBondContact O-N 2.7Å; E472-Q476 WeakPolarHBondContact OE1-CG 3.41Å; E472-Q476 PolarHBondContact OE1-NE2 3.04Å
473	E	96.9	Very high	97.7	Very high	61 Å²	61	54.2 Å²	54.2	29%	0.285	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-25.2	179.6	55.1	179.1	174.1	0	0	114.8	I289 R293 A471 L477 F503	I289-E473 HydrophobicContact CG1-CB 4.31Å; I289-E473 HydrophobicContact CG1-CG 4.02Å; I289-E473 HydrophobicContact CG2-CG 4.37Å; I289-E473 WeakPolarHBondContact CG2-OE1 3.45Å; R293-E473 IonicContact CZ-OE2 3.15Å; R293-E473 IonicContact NH1-OE2 2.79Å; R293-E473 PolarHBondContact NH1-OE2 2.91Å; R293-E473 VanDerWaalsContact NH2-CB 3.25Å; R293-E473 IonicContact NH2-OE2 2.64Å; R293-E473 PolarHBondContact NH2-OE2 3.26Å; A471-E473 VanDerWaalsContact C-N 3.26Å; A471-E473 PolarHBondContact O-N 2.96Å; A471-E473 VanDerWaalsContact O-N 3.08Å; E473-L477 PolarHBondContact O-N 3.28Å; E473-L477 VanDerWaalsContact O-N 3.12Å; E473-F503 WeakPolarHBondContact O-CD2 3.46Å; E473-F503 WeakPolarHBondContact O-CE2 3.4Å
474	H	98	Very high	97.7	Very high	22 Å²	22	54 Å²	54	10%	0.102	26%	0.263	C	S	.	.	H	α-helix	trans	-79.1	-39.6	174.1	-62.4	-81.4	0	0	0	111.6	Y400 L467 S469 A471 E472 Q476 L477 F478	Y400-H474 AromaticContact CE2-CE1 3.74Å; Y400-H474 AromaticContact CE2-ND1 3.2Å; Y400-H474 WeakPolarHBondContact CE2-ND1 3.46Å; Y400-H474 AromaticContact CZ-ND1 3.46Å; Y400-H474 PolarHBondContact OH-ND1 2.96Å; L467-H474 HydrophobicContact CD2-CB 3.8Å; L467-H474 WeakPolarHBondContact CD2-O 3.36Å; S469-H474 WeakPolarHBondContact CB-CD2 3.28Å; S469-H474 WeakPolarHBondContact CB-NE2 3.18Å; S469-H474 PolarHBondContact OG-CD2 2.82Å; A471-H474 WeakPolarHBondContact O-CB 3.48Å; A471-H474 PolarHBondContact O-N 3.03Å; E472-H474 PolarHBondContact O-N 2.97Å; E472-H474 VanDerWaalsContact O-N 3.16Å; H474-Q476 VanDerWaalsContact C-N 3.3Å; H474-Q476 PolarHBondContact O-N 3.35Å; H474-L477 PolarHBondContact O-N 3.49Å; H474-F478 WeakPolarHBondContact O-CD2 3.31Å; H474-F478 PolarHBondContact O-N 3.38Å
475	H	98.2	Very high	97.8	Very high	49 Å²	49	49.6 Å²	49.6	23%	0.227	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-41.3	172.3	-77	-73.6	0	0	0	111	L467 E470 E472 F478 D479	L467-H475 VanDerWaalsContact CD1-CE1 3.46Å; L467-H475 WeakPolarHBondContact CD1-CE1 3.48Å; E470-H475 IonicContact OE2-CE1 3.99Å; E470-H475 PolarHBondContact OE2-CE1 2.9Å; E470-H475 IonicContact OE2-NE2 2.63Å; E470-H475 PolarHBondContact OE2-NE2 2.8Å; E472-H475 PolarHBondContact O-N 3.43Å; E472-H475 VanDerWaalsContact O-N 3.09Å; H475-F478 PolarHBondContact O-N 2.87Å; H475-D479 WeakPolarHBondContact O-CB 3.13Å; H475-D479 PolarHBondContact O-N 3.47Å
476	Q	98.4	Very high	97.8	Very high	25 Å²	25	43.8 Å²	43.8	12%	0.117	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-36.9	174.2	-68.1	176.3	-4.2	0	0	113.3	E472 H474 L480 H501 F503	E472-Q476 HydrophobicContact CG-CG 4.31Å; E472-Q476 WeakPolarHBondContact O-CG 3.45Å; E472-Q476 PolarHBondContact O-N 2.7Å; E472-Q476 WeakPolarHBondContact OE1-CG 3.41Å; E472-Q476 PolarHBondContact OE1-NE2 3.04Å; H474-Q476 VanDerWaalsContact C-N 3.3Å; H474-Q476 PolarHBondContact O-N 3.35Å; Q476-L480 PolarHBondContact O-N 3.03Å; Q476-L480 VanDerWaalsContact O-N 3.15Å; Q476-H501 PolarHBondContact O-CE1 3.32Å; Q476-F503 HydrophobicContact CB-CB 3.97Å; Q476-F503 HydrophobicContact CB-CD2 4.09Å; Q476-F503 HydrophobicContact CB-CG 4.49Å
477	L	98.7	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-43.6	171.7	174.9	61.4	0	0	0	111.2	I289 V292 L396 Y400 E473 H474 L480 I481 F503	I289-L477 HydrophobicContact CD1-CB 4.12Å; I289-L477 HydrophobicContact CD1-CD2 3.59Å; I289-L477 HydrophobicContact CD1-CG 4.45Å; V292-L477 HydrophobicContact CG1-CD1 4.04Å; V292-L477 HydrophobicContact CG1-CD2 3.97Å; L396-L477 HydrophobicContact CB-CD1 4.41Å; L396-L477 HydrophobicContact CD1-CD1 4.31Å; Y400-L477 HydrophobicContact CD2-CD2 3.63Å; Y400-L477 HydrophobicContact CE2-CD2 4.26Å; Y400-L477 HydrophobicContact CG-CD2 3.76Å; E473-L477 PolarHBondContact O-N 3.28Å; E473-L477 VanDerWaalsContact O-N 3.12Å; H474-L477 PolarHBondContact O-N 3.49Å; L477-L480 WeakPolarHBondContact O-CB 3.27Å; L477-L480 PolarHBondContact O-N 2.85Å; L477-I481 HydrophobicContact CD1-CD1 3.83Å; L477-I481 HydrophobicContact CD1-CG1 4.14Å; L477-I481 HydrophobicContact CD2-CD1 4.44Å; L477-I481 HydrophobicContact CG-CD1 3.81Å; L477-I481 HydrophobicContact CG-CG1 4.47Å; L477-I481 VanDerWaalsContact O-CG1 3.3Å; L477-I481 WeakPolarHBondContact O-CG1 3.08Å; L477-I481 PolarHBondContact O-N 3.35Å; L477-F503 HydrophobicContact CB-CD2 4.05Å; L477-F503 HydrophobicContact CB-CE2 3.72Å; L477-F503 HydrophobicContact CB-CZ 3.98Å; L477-F503 HydrophobicContact CD1-CD1 4.39Å; L477-F503 HydrophobicContact CD1-CE1 3.76Å; L477-F503 HydrophobicContact CD1-CE2 4.39Å; L477-F503 HydrophobicContact CD1-CZ 3.78Å; L477-F503 HydrophobicContact CG-CZ 4.3Å
478	F	98.6	Very high	97.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.7	-32.3	-179.2	-88	-107.9	0	0	0	112.8	Y400 L463 L467 H474 H475 I481 E482	Y400-F478 AromaticContact CD1-CE2 3.54Å; Y400-F478 HydrophobicContact CD1-CE2 3.54Å; Y400-F478 AromaticContact CD1-CZ 3.88Å; Y400-F478 HydrophobicContact CD1-CZ 3.88Å; Y400-F478 AromaticContact CE1-CE2 3.37Å; Y400-F478 HydrophobicContact CE1-CE2 3.37Å; Y400-F478 AromaticContact CE1-CZ 3.81Å; Y400-F478 HydrophobicContact CE1-CZ 3.81Å; Y400-F478 HydrophobicContact CG-CE2 4.43Å; L463-F478 HydrophobicContact CD1-CD1 4.29Å; L463-F478 HydrophobicContact CD1-CE1 3.9Å; L463-F478 HydrophobicContact CG-CD1 4Å; L463-F478 HydrophobicContact CG-CE1 4.09Å; L463-F478 VanDerWaalsContact O-CE1 3.29Å; L463-F478 WeakPolarHBondContact O-CE1 3.43Å; L467-F478 HydrophobicContact CD2-CB 4.23Å; L467-F478 HydrophobicContact CD2-CD1 4.43Å; L467-F478 HydrophobicContact CD2-CD2 3.37Å; L467-F478 HydrophobicContact CD2-CE2 3.81Å; L467-F478 HydrophobicContact CD2-CG 3.73Å; L467-F478 HydrophobicContact CD2-CZ 4.49Å; L467-F478 HydrophobicContact CG-CD1 4.27Å; L467-F478 HydrophobicContact CG-CD2 4.05Å; L467-F478 HydrophobicContact CG-CE1 4.49Å; L467-F478 HydrophobicContact CG-CE2 4.28Å; L467-F478 HydrophobicContact CG-CG 4.04Å; L467-F478 HydrophobicContact CG-CZ 4.49Å; H474-F478 WeakPolarHBondContact O-CD2 3.31Å; H474-F478 PolarHBondContact O-N 3.38Å; H475-F478 PolarHBondContact O-N 2.87Å; F478-I481 PolarHBondContact O-N 3.01Å; F478-E482 WeakPolarHBondContact O-CB 3.26Å; F478-E482 WeakPolarHBondContact O-CG 3.43Å; F478-E482 PolarHBondContact O-N 2.91Å
479	D	98.6	Very high	98.1	Very high	69 Å²	69	39.3 Å²	39.3	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-64	-41.6	172.5	-152.5	67.7	0	0	0	112	R464 H475 S483 H501	R464-D479 IonicContact NH2-OD1 3.81Å; R464-D479 PolarHBondContact NH2-OD1 2.89Å; H475-D479 WeakPolarHBondContact O-CB 3.13Å; H475-D479 PolarHBondContact O-N 3.47Å; D479-S483 WeakPolarHBondContact O-CB 3.38Å; D479-S483 PolarHBondContact O-N 2.66Å; D479-S483 PolarHBondContact O-OG 3.27Å; D479-H501 IonicContact OD2-NE2 3.61Å
480	L	98.8	Very high	98.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-47.6	172.8	-177.6	61.3	0	0	0	111.6	L396 Q476 L477 S483 M484 L493 H501 F503 F504	L396-L480 HydrophobicContact CD1-CD2 4.15Å; Q476-L480 PolarHBondContact O-N 3.03Å; Q476-L480 VanDerWaalsContact O-N 3.15Å; L477-L480 WeakPolarHBondContact O-CB 3.27Å; L477-L480 PolarHBondContact O-N 2.85Å; L480-S483 PolarHBondContact O-N 2.8Å; L480-M484 HydrophobicContact CD1-CE 3.78Å; L480-M484 HydrophobicContact CD1-SD 4.48Å; L480-M484 HydrophobicContact CD2-CE 4.35Å; L480-M484 HydrophobicContact CG-CE 3.97Å; L480-M484 HydrophobicContact CG-SD 4.23Å; L480-M484 VanDerWaalsContact O-CG 3.29Å; L480-M484 WeakPolarHBondContact O-CG 3.47Å; L480-M484 PolarHBondContact O-N 3.38Å; L480-L493 HydrophobicContact CD1-CD2 3.59Å; L480-H501 HydrophobicContact CD1-CB 4.03Å; L480-F503 HydrophobicContact CD2-CB 4.47Å; L480-F503 HydrophobicContact CD2-CD1 3.69Å; L480-F503 HydrophobicContact CD2-CE1 4.42Å; L480-F503 HydrophobicContact CD2-CG 4.44Å; L480-F504 HydrophobicContact CD2-CE2 4.02Å; L480-F504 HydrophobicContact CD2-CZ 3.8Å
481	I	98.9	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.5	-43.9	179.2	-68	170.1	0	0	0	110.9	L396 F397 L463 L477 F478 S483 M484 L485	L396-I481 HydrophobicContact CB-CD1 3.91Å; L396-I481 HydrophobicContact CB-CG1 3.92Å; L396-I481 HydrophobicContact CD1-CG1 4.49Å; F397-I481 HydrophobicContact CB-CD1 4.39Å; L463-I481 HydrophobicContact CD2-CG2 4.02Å; L477-I481 HydrophobicContact CD1-CD1 3.83Å; L477-I481 HydrophobicContact CD1-CG1 4.14Å; L477-I481 HydrophobicContact CD2-CD1 4.44Å; L477-I481 HydrophobicContact CG-CD1 3.81Å; L477-I481 HydrophobicContact CG-CG1 4.47Å; L477-I481 VanDerWaalsContact O-CG1 3.3Å; L477-I481 WeakPolarHBondContact O-CG1 3.08Å; L477-I481 PolarHBondContact O-N 3.35Å; F478-I481 PolarHBondContact O-N 3.01Å; I481-S483 VanDerWaalsContact C-N 3.3Å; I481-S483 PolarHBondContact O-N 2.86Å; I481-M484 CarbonylContact O-C 3.53Å; I481-M484 PolarHBondContact O-N 2.78Å; I481-M484 VanDerWaalsContact O-N 3.16Å; I481-L485 HydrophobicContact CG2-CD1 3.61Å; I481-L485 HydrophobicContact CG2-CG 4.15Å; I481-L485 WeakPolarHBondContact O-CB 3.45Å; I481-L485 WeakPolarHBondContact O-CG 3.47Å; I481-L485 PolarHBondContact O-N 2.96Å
482	E	98.6	Very high	98.3	Very high	62 Å²	62	39.4 Å²	39.4	29%	0.29	20%	0.202	S	C	.	.	H	α-helix	trans	-58	-44	175.4	-81.7	176.7	-176.8	0	0	111.3	L463 R464 F478 M484 L485 E486	L463-E482 HydrophobicContact CD2-CG 3.58Å; L463-E482 HydrophobicContact CG-CG 4.42Å; R464-E482 WeakPolarHBondContact CG-OE1 3.47Å; R464-E482 IonicContact CZ-OE1 2.86Å; R464-E482 IonicContact CZ-OE2 3.82Å; R464-E482 VanDerWaalsContact CZ-OE2 3.27Å; R464-E482 VanDerWaalsContact NE-CD 3.31Å; R464-E482 IonicContact NE-OE1 3.67Å; R464-E482 PolarHBondContact NE-OE1 2.96Å; R464-E482 IonicContact NE-OE2 3.24Å; R464-E482 PolarHBondContact NE-OE2 2.67Å; R464-E482 IonicContact NH2-OE1 2.77Å; R464-E482 IonicContact NH2-OE2 2.92Å; R464-E482 PolarHBondContact NH2-OE2 2.85Å; F478-E482 WeakPolarHBondContact O-CB 3.26Å; F478-E482 WeakPolarHBondContact O-CG 3.43Å; F478-E482 PolarHBondContact O-N 2.91Å; E482-M484 VanDerWaalsContact C-N 3.31Å; E482-M484 PolarHBondContact O-N 3.11Å; E482-L485 CarbonylContact O-C 3.58Å; E482-L485 PolarHBondContact O-N 3.1Å; E482-E486 PolarHBondContact O-N 3.27Å
483	S	98.8	Very high	98.4	Very high	42 Å²	42	35.4 Å²	35.4	29%	0.294	18%	0.184	S	C	.	.	H	α-helix	trans	-67.5	-28.4	177.8	-58.9	0	0	0	0	113.5	D479 L480 I481 L493	D479-S483 WeakPolarHBondContact O-CB 3.38Å; D479-S483 PolarHBondContact O-N 2.66Å; D479-S483 PolarHBondContact O-OG 3.27Å; L480-S483 PolarHBondContact O-N 2.8Å; I481-S483 VanDerWaalsContact C-N 3.3Å; I481-S483 PolarHBondContact O-N 2.86Å; S483-L493 WeakPolarHBondContact O-CB 3.2Å; S483-L493 PolarHBondContact O-N 2.89Å
484	M	98.9	Very high	98.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-79.7	-28.3	172.3	-71.6	177.5	169.3	0	0	113.2	V389 I392 L396 L480 I481 E482 R492 L493	V389-M484 HydrophobicContact CG1-CB 3.98Å; V389-M484 HydrophobicContact CG1-CG 3.71Å; I392-M484 HydrophobicContact CB-SD 4.37Å; I392-M484 HydrophobicContact CG2-CE 3.88Å; I392-M484 HydrophobicContact CG2-SD 3.72Å; L396-M484 HydrophobicContact CD1-SD 4.12Å; L480-M484 HydrophobicContact CD1-CE 3.78Å; L480-M484 HydrophobicContact CD1-SD 4.48Å; L480-M484 HydrophobicContact CD2-CE 4.35Å; L480-M484 HydrophobicContact CG-CE 3.97Å; L480-M484 HydrophobicContact CG-SD 4.23Å; L480-M484 VanDerWaalsContact O-CG 3.29Å; L480-M484 WeakPolarHBondContact O-CG 3.47Å; L480-M484 PolarHBondContact O-N 3.38Å; I481-M484 CarbonylContact O-C 3.53Å; I481-M484 PolarHBondContact O-N 2.78Å; I481-M484 VanDerWaalsContact O-N 3.16Å; E482-M484 VanDerWaalsContact C-N 3.31Å; E482-M484 PolarHBondContact O-N 3.11Å; M484-R492 WeakPolarHBondContact O-CD 3.45Å; M484-R492 VanDerWaalsContact O-CG 3.29Å; M484-R492 WeakPolarHBondContact O-CG 3.43Å; M484-L493 HydrophobicContact CG-CD2 4.49Å
485	L	98.9	Very high	98.5	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	19%	0.186	C	C	.	.	S	Bend	trans	-96.5	19	179.5	-63.5	-179.9	0	0	0	113.4	W390 L405 L422 L463 I481 E482 Y487	W390-L485 HydrophobicContact CD2-CD2 3.72Å; W390-L485 HydrophobicContact CE3-CB 4.47Å; W390-L485 HydrophobicContact CE3-CD2 4.04Å; W390-L485 HydrophobicContact CG-CD2 4.1Å; W390-L485 HydrophobicContact CH2-CD2 4.44Å; W390-L485 HydrophobicContact CZ2-CD2 4.11Å; W390-L485 HydrophobicContact CZ3-CB 4.29Å; W390-L485 HydrophobicContact CZ3-CD2 4.41Å; W390-L485 WeakPolarHBondContact CZ3-O 3.42Å; L405-L485 HydrophobicContact CD2-CD1 3.54Å; L422-L485 HydrophobicContact CD1-CB 4.03Å; L422-L485 HydrophobicContact CD2-CB 3.96Å; L422-L485 HydrophobicContact CD2-CD1 4.12Å; L463-L485 HydrophobicContact CD2-CD1 4.18Å; I481-L485 HydrophobicContact CG2-CD1 3.61Å; I481-L485 HydrophobicContact CG2-CG 4.15Å; I481-L485 WeakPolarHBondContact O-CB 3.45Å; I481-L485 WeakPolarHBondContact O-CG 3.47Å; I481-L485 PolarHBondContact O-N 2.96Å; E482-L485 CarbonylContact O-C 3.58Å; E482-L485 PolarHBondContact O-N 3.1Å; L485-Y487 PolarHBondContact O-N 3.33Å
486	E	98.7	Very high	98.4	Very high	61 Å²	61	34.7 Å²	34.7	29%	0.285	19%	0.191	S	C	.	.			trans	-61.9	128.2	168.6	167.8	55.4	-123.2	0	0	110.3	E482 E488 K491 R492	E482-E486 PolarHBondContact O-N 3.27Å; E486-E488 PolarHBondContact O-N 3.31Å; E486-E488 PolarHBondContact OE1-N 3.32Å; E486-K491 HydrophobicContact CG-CB 3.61Å; E486-R492 HydrophobicContact CB-CB 4.22Å; E486-R492 HydrophobicContact CB-CG 4.43Å; E486-R492 HydrophobicContact CG-CB 4.44Å; E486-R492 PolarHBondContact O-NE 3.08Å; E486-R492 PolarHBondContact O-NH2 3.38Å
487	Y	98.7	Very high	98.4	Very high	12 Å²	12	36.8 Å²	36.8	5%	0.047	20%	0.203	C	C	.	.	S	Bend	trans	-61.6	-43.5	-175.9	-80.3	-76.8	0	0	0	112.8	P375 W390 M418 E419 L422 G423 V425 P426 M429 L485 P489 R492	P375-Y487 HydrophobicContact CB-CD1 4Å; P375-Y487 HydrophobicContact CB-CE1 4.48Å; P375-Y487 HydrophobicContact CG-CD1 3.87Å; W390-Y487 HydrophobicContact CH2-CD1 4.45Å; W390-Y487 HydrophobicContact CH2-CE1 4.5Å; M418-Y487 HydrophobicContact CB-CE1 4Å; M418-Y487 WeakPolarHBondContact CB-OH 3.09Å; M418-Y487 PolarHBondContact O-OH 3Å; M418-Y487 HydrophobicContact SD-CE1 4.19Å; E419-Y487 PolarHBondContact N-OH 3.34Å; L422-Y487 HydrophobicContact CB-CE2 3.85Å; G423-Y487 VanDerWaalsContact O-CE2 3.22Å; G423-Y487 WeakPolarHBondContact O-CE2 3.19Å; G423-Y487 PolarHBondContact O-OH 3.42Å; V425-Y487 HydrophobicContact CG2-CE1 3.86Å; P426-Y487 HydrophobicContact CG-CD2 4.35Å; P426-Y487 HydrophobicContact CG-CG 4.2Å; M429-Y487 VanDerWaalsContact CE-O 3.29Å; M429-Y487 WeakPolarHBondContact CE-O 3.41Å; L485-Y487 PolarHBondContact O-N 3.33Å; Y487-P489 VanDerWaalsContact O-CD 3.3Å; Y487-P489 WeakPolarHBondContact O-CD 3.18Å; Y487-R492 PolarHBondContact O-NH2 3.43Å
488	E	98.4	Very high	98.3	Very high	19 Å²	19	36.8 Å²	36.8	9%	0.089	20%	0.203	C	C	.	.	S	Bend	trans	-82.7	115.3	-174.6	-55.1	-159.7	85.1	0	0	110.4	P426 R428 M429 E486 S490 K491 R492	P426-E488 HydrophobicContact CB-CG 4.13Å; P426-E488 HydrophobicContact CG-CG 3.88Å; R428-E488 IonicContact CZ-OE1 3.78Å; R428-E488 IonicContact NE-OE1 3.85Å; R428-E488 PolarHBondContact NE-OE1 3.47Å; R428-E488 IonicContact NH2-OE1 3.54Å; R428-E488 PolarHBondContact NH2-OE1 3.47Å; M429-E488 HydrophobicContact SD-CG 4.07Å; E486-E488 PolarHBondContact O-N 3.31Å; E486-E488 PolarHBondContact OE1-N 3.32Å; E488-S490 PolarHBondContact O-N 2.92Å; E488-K491 HydrophobicContact CB-CB 4.32Å; E488-K491 HydrophobicContact CB-CD 4.12Å; E488-K491 HydrophobicContact CB-CG 4.25Å; E488-K491 HydrophobicContact CG-CD 4.45Å; E488-K491 PolarHBondContact O-N 3.09Å; E488-K491 WeakPolarHBondContact OE2-CE 3.22Å; E488-K491 IonicContact OE2-NZ 3.37Å; E488-K491 PolarHBondContact OE2-NZ 3.16Å; E488-R492 PolarHBondContact O-N 2.91Å; E488-R492 VanDerWaalsContact O-N 3.12Å
489	P	98.3	Very high	98.3	Very high	38 Å²	38	38.5 Å²	38.5	25%	0.247	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22	-173.3	-27.3	37.6	0	0	0	114.5	E376 P386 Y487	E376-P489 HydrophobicContact CB-CG 3.77Å; E376-P489 HydrophobicContact CG-CG 3.64Å; P386-P489 HydrophobicContact CB-CB 3.96Å; P386-P489 HydrophobicContact CG-CB 4.26Å; Y487-P489 VanDerWaalsContact O-CD 3.3Å; Y487-P489 WeakPolarHBondContact O-CD 3.18Å
490	S	97.7	Very high	98.2	Very high	99 Å²	99	41.7 Å²	41.7	69%	0.692	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.5	176.8	58.1	0	0	0	0	114.6	E488	E488-S490 PolarHBondContact O-N 2.92Å
491	K	97.9	Very high	98.2	Very high	133 Å²	133	42.7 Å²	42.7	58%	0.578	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-23.5	175.2	-70	-179.6	175.3	167.9	0	112.5	E486 E488	E486-K491 HydrophobicContact CG-CB 3.61Å; E488-K491 HydrophobicContact CB-CB 4.32Å; E488-K491 HydrophobicContact CB-CD 4.12Å; E488-K491 HydrophobicContact CB-CG 4.25Å; E488-K491 HydrophobicContact CG-CD 4.45Å; E488-K491 PolarHBondContact O-N 3.09Å; E488-K491 WeakPolarHBondContact OE2-CE 3.22Å; E488-K491 IonicContact OE2-NZ 3.37Å; E488-K491 PolarHBondContact OE2-NZ 3.16Å
492	R	98.4	Very high	98.1	Very high	11 Å²	11	45.3 Å²	45.3	4%	0.042	24%	0.244	C	C	.	.	S	Bend	trans	-54.3	139	177.8	-165.8	178.4	-62	148.2	6.5	111.3	E376 P386 V389 M484 E486 Y487 E488 T494	E376-R492 IonicContact OE1-CZ 3.1Å; E376-R492 IonicContact OE1-NH1 3.62Å; E376-R492 PolarHBondContact OE1-NH1 3.3Å; E376-R492 IonicContact OE1-NH2 2.62Å; E376-R492 IonicContact OE2-CZ 3.6Å; E376-R492 IonicContact OE2-NH1 3.25Å; E376-R492 PolarHBondContact OE2-NH1 3.41Å; E376-R492 IonicContact OE2-NH2 2.71Å; E376-R492 PolarHBondContact OE2-NH2 2.97Å; P386-R492 VanDerWaalsContact C-NH1 3.33Å; P386-R492 WeakPolarHBondContact O-CD 3.32Å; P386-R492 PolarHBondContact O-NH1 3.22Å; V389-R492 HydrophobicContact CB-CG 4.41Å; V389-R492 HydrophobicContact CG1-CG 4.11Å; M484-R492 WeakPolarHBondContact O-CD 3.45Å; M484-R492 VanDerWaalsContact O-CG 3.29Å; M484-R492 WeakPolarHBondContact O-CG 3.43Å; E486-R492 HydrophobicContact CB-CB 4.22Å; E486-R492 HydrophobicContact CB-CG 4.43Å; E486-R492 HydrophobicContact CG-CB 4.44Å; E486-R492 PolarHBondContact O-NE 3.08Å; E486-R492 PolarHBondContact O-NH2 3.38Å; Y487-R492 PolarHBondContact O-NH2 3.43Å; E488-R492 PolarHBondContact O-N 2.91Å; E488-R492 VanDerWaalsContact O-N 3.12Å; R492-T494 PolarHBondContact O-N 3.34Å
493	L	98.1	Very high	98.1	Very high	37 Å²	37	42.3 Å²	42.3	19%	0.194	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-53	135.4	-177.4	-174.8	63.3	0	0	0	111.6	V389 L480 S483 M484 D497	V389-L493 WeakPolarHBondContact CG1-O 3.4Å; L480-L493 HydrophobicContact CD1-CD2 3.59Å; S483-L493 WeakPolarHBondContact O-CB 3.2Å; S483-L493 PolarHBondContact O-N 2.89Å; M484-L493 HydrophobicContact CG-CD2 4.49Å; L493-D497 HydrophobicContact CD1-CB 3.83Å
494	T	98.3	Very high	98	Very high	65 Å²	65	40.8 Å²	40.8	40%	0.399	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-82.2	150.1	173.7	89.4	0	0	0	0	110.2	R492 S496 D497 S498	R492-T494 PolarHBondContact O-N 3.34Å; T494-S496 PolarHBondContact O-N 3.3Å; T494-S496 PolarHBondContact OG1-N 3.01Å; T494-D497 PolarHBondContact O-N 2.83Å; T494-D497 PolarHBondContact OG1-N 3.12Å; T494-D497 PolarHBondContact OG1-OD2 2.73Å; T494-S498 PolarHBondContact O-N 2.91Å
495	L	98	Very high	97.3	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-67.2	-15.6	174.9	-60.7	-179.4	0	0	0	113.6	C300 V303 K304 V389 I392 D497 S498 L499	C300-L495 HydrophobicContact CB-CD2 4.35Å; V303-L495 HydrophobicContact CB-CD1 3.62Å; V303-L495 HydrophobicContact CG1-CD1 3.49Å; V303-L495 VanDerWaalsContact CG1-CD1 3.49Å; K304-L495 HydrophobicContact CB-CB 3.78Å; K304-L495 HydrophobicContact CB-CD1 4.39Å; K304-L495 HydrophobicContact CG-CB 4.1Å; V389-L495 HydrophobicContact CG1-CD2 4.42Å; V389-L495 HydrophobicContact CG2-CD1 4.48Å; V389-L495 HydrophobicContact CG2-CD2 3.99Å; V389-L495 HydrophobicContact CG2-CG 3.92Å; I392-L495 HydrophobicContact CD1-CD1 4.18Å; I392-L495 HydrophobicContact CD1-CD2 3.93Å; L495-D497 VanDerWaalsContact C-N 3.29Å; L495-S498 WeakPolarHBondContact CA-OG 3.3Å; L495-S498 PolarHBondContact O-OG 2.77Å; L495-L499 WeakPolarHBondContact O-CG 3.29Å
496	S	97	Very high	95.6	Very high	47 Å²	47	52.2 Å²	52.2	33%	0.329	28%	0.275	S	S	.	.	H	α-helix	trans	-74.2	-23.7	171.1	-60.2	0	0	0	0	112.4	K304 T494 K500	K304-S496 WeakPolarHBondContact CE-OG 3.28Å; K304-S496 PolarHBondContact NZ-OG 2.76Å; T494-S496 PolarHBondContact O-N 3.3Å; T494-S496 PolarHBondContact OG1-N 3.01Å; S496-K500 WeakPolarHBondContact O-CE 2.79Å; S496-K500 PolarHBondContact O-NZ 3.17Å
497	D	97.8	Very high	93.6	Very high	69 Å²	69	54 Å²	54	37%	0.369	30%	0.295	S	S	.	.	H	α-helix	trans	-101.8	-30.1	179.8	-56	-48.2	0	0	0	111.4	L493 T494 L495 L499 K500 H501	L493-D497 HydrophobicContact CD1-CB 3.83Å; T494-D497 PolarHBondContact O-N 2.83Å; T494-D497 PolarHBondContact OG1-N 3.12Å; T494-D497 PolarHBondContact OG1-OD2 2.73Å; L495-D497 VanDerWaalsContact C-N 3.29Å; D497-L499 VanDerWaalsContact C-N 3.29Å; D497-L499 PolarHBondContact O-N 2.84Å; D497-K500 WeakPolarHBondContact O-CB 3.39Å; D497-K500 PolarHBondContact O-N 3.04Å; D497-K500 IonicContact OD1-NZ 3.09Å; D497-K500 PolarHBondContact OD1-NZ 3.2Å; D497-H501 PolarHBondContact O-N 3.11Å
498	S	97.6	Very high	91	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.6	-40.2	171.9	75.9	0	0	0	0	112.1	C300 T494 L495 K500 H501 F504	C300-S498 PolarHBondContact SG-OG 3.38Å; T494-S498 PolarHBondContact O-N 2.91Å; L495-S498 WeakPolarHBondContact CA-OG 3.3Å; L495-S498 PolarHBondContact O-OG 2.77Å; S498-K500 PolarHBondContact O-N 3.23Å; S498-K500 VanDerWaalsContact O-N 3.11Å; S498-H501 WeakPolarHBondContact O-CB 3.41Å; S498-H501 PolarHBondContact O-N 2.81Å; S498-F504 WeakPolarHBondContact O-CD2 3.26Å; S498-F504 WeakPolarHBondContact O-CE2 3.49Å
499	L	97.4	Very high	88.1	Confident	35 Å²	35	61.9 Å²	61.9	18%	0.183	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.1	175.9	-69.8	174.1	0	0	0	114.4	Y297 C300 L301 K304 L495 D497	Y297-L499 HydrophobicContact CD2-CD2 3.72Å; Y297-L499 HydrophobicContact CE2-CD2 3.66Å; Y297-L499 HydrophobicContact CG-CD2 4.32Å; C300-L499 HydrophobicContact CB-CD2 3.6Å; C300-L499 HydrophobicContact CB-CG 4.06Å; L301-L499 HydrophobicContact CB-CD2 4.4Å; L301-L499 HydrophobicContact CD1-CD1 4.42Å; K304-L499 HydrophobicContact CD-CD1 3.88Å; L495-L499 WeakPolarHBondContact O-CG 3.29Å; D497-L499 VanDerWaalsContact C-N 3.29Å; D497-L499 PolarHBondContact O-N 2.84Å
500	K	97.1	Very high	85.2	Confident	137 Å²	137	63.4 Å²	63.4	60%	0.596	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	6.1	174.4	-50.2	170.5	-165.3	143.5	0	112.3	S496 D497 S498	S496-K500 WeakPolarHBondContact O-CE 2.79Å; S496-K500 PolarHBondContact O-NZ 3.17Å; D497-K500 WeakPolarHBondContact O-CB 3.39Å; D497-K500 PolarHBondContact O-N 3.04Å; D497-K500 IonicContact OD1-NZ 3.09Å; D497-K500 PolarHBondContact OD1-NZ 3.2Å; S498-K500 PolarHBondContact O-N 3.23Å; S498-K500 VanDerWaalsContact O-N 3.11Å
501	H	98.1	Very high	82.4	Confident	20 Å²	20	68.1 Å²	68.1	9%	0.093	39%	0.391	C	S	.	.	S	Bend	trans	-71.6	141.2	-175.2	-166.4	-94.5	0	0	0	111.1	Q476 D479 L480 D497 S498 F503 F504	Q476-H501 PolarHBondContact O-CE1 3.32Å; D479-H501 IonicContact OD2-NE2 3.61Å; L480-H501 HydrophobicContact CD1-CB 4.03Å; D497-H501 PolarHBondContact O-N 3.11Å; S498-H501 WeakPolarHBondContact O-CB 3.41Å; S498-H501 PolarHBondContact O-N 2.81Å; H501-F503 WeakPolarHBondContact ND1-CB 3.47Å; H501-F503 PolarHBondContact ND1-N 3.06Å; H501-F503 PolarHBondContact O-N 2.96Å; H501-F504 HydrophobicContact CB-CD2 4.35Å; H501-F504 PolarHBondContact O-N 3.28Å
502	P	97.4	Very high	79.4	Confident	55 Å²	55	66.8 Å²	66.8	36%	0.357	41%	0.405	S	S	.	.	H	α-helix	trans	-51	-31.4	-178.9	-31.7	37.1	0	0	0	115	F504 E505	P502-F504 PolarHBondContact O-N 2.81Å; P502-E505 PolarHBondContact O-N 3.01Å
503	F	97.8	Very high	76.4	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	44%	0.443	C	S	.	.	H	α-helix	trans	-52.2	-28.9	174	-176.3	-121.5	0	0	0	114.2	I289 R293 A296 E473 Q476 L477 L480 H501	I289-F503 HydrophobicContact CD1-CE2 3.83Å; I289-F503 HydrophobicContact CD1-CZ 4.06Å; I289-F503 HydrophobicContact CG1-CE2 4.29Å; R293-F503 HydrophobicContact CB-CE1 3.92Å; R293-F503 HydrophobicContact CB-CE2 4.24Å; R293-F503 HydrophobicContact CB-CZ 3.61Å; R293-F503 VanDerWaalsContact CD-O 3.3Å; R293-F503 WeakPolarHBondContact CD-O 3.14Å; R293-F503 HydrophobicContact CG-CD1 4.49Å; R293-F503 HydrophobicContact CG-CE1 4.13Å; R293-F503 HydrophobicContact CG-CZ 4.14Å; R293-F503 WeakPolarHBondContact CG-O 3.17Å; R293-F503 PolarHBondContact NE-O 2.82Å; A296-F503 HydrophobicContact CB-CE1 4.4Å; E473-F503 WeakPolarHBondContact O-CD2 3.46Å; E473-F503 WeakPolarHBondContact O-CE2 3.4Å; Q476-F503 HydrophobicContact CB-CB 3.97Å; Q476-F503 HydrophobicContact CB-CD2 4.09Å; Q476-F503 HydrophobicContact CB-CG 4.49Å; L477-F503 HydrophobicContact CB-CD2 4.05Å; L477-F503 HydrophobicContact CB-CE2 3.72Å; L477-F503 HydrophobicContact CB-CZ 3.98Å; L477-F503 HydrophobicContact CD1-CD1 4.39Å; L477-F503 HydrophobicContact CD1-CE1 3.76Å; L477-F503 HydrophobicContact CD1-CE2 4.39Å; L477-F503 HydrophobicContact CD1-CZ 3.78Å; L477-F503 HydrophobicContact CG-CZ 4.3Å; L480-F503 HydrophobicContact CD2-CB 4.47Å; L480-F503 HydrophobicContact CD2-CD1 3.69Å; L480-F503 HydrophobicContact CD2-CE1 4.42Å; L480-F503 HydrophobicContact CD2-CG 4.44Å; H501-F503 WeakPolarHBondContact ND1-CB 3.47Å; H501-F503 PolarHBondContact ND1-N 3.06Å; H501-F503 PolarHBondContact O-N 2.96Å
504	F	96.7	Very high	73.3	Confident	9 Å²	9	72.5 Å²	72.5	4%	0.039	47%	0.466	C	S	.	.	H	α-helix	trans	-95.9	-15.1	178.6	-60.3	-49.2	0	0	0	114.4	R293 A296 Y297 L480 S498 H501 P502 N506 S507	R293-F504 HydrophobicContact CG-CD1 4.02Å; R293-F504 WeakPolarHBondContact O-CE1 3.42Å; A296-F504 HydrophobicContact CB-CE1 3.83Å; A296-F504 HydrophobicContact CB-CZ 3.93Å; Y297-F504 HydrophobicContact CD2-CB 4.17Å; Y297-F504 HydrophobicContact CD2-CD1 4.06Å; Y297-F504 HydrophobicContact CD2-CD2 4.22Å; Y297-F504 AromaticContact CD2-CG 3.9Å; Y297-F504 HydrophobicContact CD2-CG 3.9Å; Y297-F504 HydrophobicContact CG-CD1 4.45Å; L480-F504 HydrophobicContact CD2-CE2 4.02Å; L480-F504 HydrophobicContact CD2-CZ 3.8Å; S498-F504 WeakPolarHBondContact O-CD2 3.26Å; S498-F504 WeakPolarHBondContact O-CE2 3.49Å; H501-F504 HydrophobicContact CB-CD2 4.35Å; H501-F504 PolarHBondContact O-N 3.28Å; P502-F504 PolarHBondContact O-N 2.81Å; F504-N506 PolarHBondContact O-N 3.24Å; F504-S507 WeakPolarHBondContact O-CB 3.27Å; F504-S507 PolarHBondContact O-N 3.44Å; F504-S507 PolarHBondContact O-OG 3.4Å
505	E	85.1	Confident	70.1	Confident	143 Å²	143	75 Å²	75	67%	0.668	49%	0.486	S	S	*	.	H	α-helix	trans	-64.5	-27.9	-176.2	-66.1	-178.4	153.5	0	0	112.7	P502 S507	P502-E505 PolarHBondContact O-N 3.01Å; E505-S507 PolarHBondContact O-N 3.21Å
506	N	63.7	Low	66.9	Low	100 Å²	100	84.7 Å²	84.7	54%	0.535	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	18.6	177.4	-78.1	-31.1	0	0	0	114.8	F504 G508	F504-N506 PolarHBondContact O-N 3.24Å; N506-G508 PolarHBondContact O-N 3.21Å
507	S	55.6	Low	63.6	Low	100 Å²	100	88.9 Å²	88.9	70%	0.699	55%	0.547	S	S	*	.	S	Bend	trans	-74.4	1.6	177.8	70.3	0	0	0	0	114.9	F504 E505	F504-S507 WeakPolarHBondContact O-CB 3.27Å; F504-S507 PolarHBondContact O-N 3.44Å; F504-S507 PolarHBondContact O-OG 3.4Å; E505-S507 PolarHBondContact O-N 3.21Å
508	G	45.2	Very low	60.3	Low	59 Å²	59	97.3 Å²	97.3	61%	0.608	57%	0.573	S	S	*	*	S	Bend	trans	-114.1	-4.6	-156.7	0	0	0	0	0	119.6	N506	N506-G508 PolarHBondContact O-N 3.21Å
509	T	36.5	Very low	57.1	Low	137 Å²	137	105.3 Å²	105.3	84%	0.84	61%	0.611	S	S	*	*	S	Bend	trans	-129.8	-0.8	-165.6	50.1	0	0	0	0	117.1
510	G	37.2	Very low	53.7	Low	70 Å²	70	106.6 Å²	106.6	72%	0.722	63%	0.633	S	S	*	*	S	Bend	trans	-96.6	-50.7	-174	0	0	0	0	0	116.8
511	E	40.3	Very low	50.5	Low	198 Å²	198	108.1 Å²	108.1	93%	0.925	65%	0.647	S	S	*	*	S	Bend	trans	-119.8	6.2	-158.5	-64.3	-174.1	146.4	0	0	115.2	A513	E511-A513 VanDerWaalsContact C-N 3.27Å; E511-A513 PolarHBondContact O-N 3.5Å
512	A	33.9	Very low	47.5	Very low	105 Å²	105	117.2 Å²	117.2	87%	0.868	68%	0.681	S	S	*	*	S	Bend	trans	-86.8	17.3	176	0	0	0	0	0	114.2
513	A	35.1	Very low	44.5	Very low	103 Å²	103	121.3 Å²	121.3	85%	0.851	70%	0.7	S	S	*	*			trans	-114.4	42.3	-176.3	0	0	0	0	0	112.8	E511	E511-A513 VanDerWaalsContact C-N 3.27Å; E511-A513 PolarHBondContact O-N 3.5Å
514	G	32.7	Very low	41.4	Very low	65 Å²	65	129.3 Å²	129.3	67%	0.67	74%	0.741	S	S	*	*	S	Bend	trans	-135.1	19.6	-174.1	0	0	0	0	0	115.5
515	S	31.8	Very low	38.5	Very low	118 Å²	118	133.9 Å²	133.9	83%	0.825	77%	0.774	S	S	*	*			trans	-150.4	71.8	177.3	-71.2	0	0	0	0	111.2
516	K	31.3	Very low	36.1	Very low	209 Å²	209	142.2 Å²	142.2	91%	0.909	80%	0.799	S	S	*	*			trans	-89.6	124.5	157.8	-83.6	-173.6	173.9	-179.8	0	108.3	W518	K516-W518 PolarHBondContact O-N 3.39Å
517	N	28.2	Very low	34.7	Very low	135 Å²	135	144.3 Å²	144.3	72%	0.722	81%	0.812	S	S	*	*			trans	-51.8	124.3	176.1	-65	-9.4	0	0	0	110.7	E519	N517-E519 HydrophobicContact CB-CG 4.42Å
518	W	27.7	Very low	33.6	Very low	245 Å²	245	146.6 Å²	146.6	93%	0.928	82%	0.818	S	S	*	*			trans	-96.8	73.6	157.8	-165.3	-84.8	0	0	0	108.2	K516 G520	K516-W518 PolarHBondContact O-N 3.39Å; W518-G520 PolarHBondContact O-N 3.35Å
519	E	30	Very low	33	Very low	168 Å²	168	151.5 Å²	151.5	79%	0.785	83%	0.83	S	S	*	*			trans	-69.3	123.6	162.7	-75.4	-176.2	148.4	0	0	107.7	N517	N517-E519 HydrophobicContact CB-CG 4.42Å
520	G	27.5	Very low	32.8	Very low	63 Å²	63	152.4 Å²	152.4	65%	0.649	83%	0.829	S	S	*	*			trans	-72.7	155.4	-171.2	0	0	0	0	0	112.7	W518	W518-G520 PolarHBondContact O-N 3.35Å
521	N	29	Very low	32.5	Very low	168 Å²	168	157.5 Å²	157.5	90%	0.898	84%	0.836	S	S	*	*			trans	-114.4	139.7	155.3	-153.2	11.9	0	0	0	109.1
522	R	35.2	Very low	32	Very low	212 Å²	212	154.8 Å²	154.8	80%	0.8	83%	0.83	S	S	*	*			trans	-85.3	162.4	-179.4	-69.5	-179	175.7	165.4	-2	111.1
523	D	34.1	Very low	31.8	Very low	140 Å²	140	158.4 Å²	158.4	75%	0.749	83%	0.827	S	S	*	*			trans	55.3	125.6	153.7	-57.8	-39.3	0	0	0	118.7
524	I	32.2	Very low	31.6	Very low	168 Å²	168	162.6 Å²	162.6	86%	0.862	83%	0.825	S	S	*	*				-161.8	140.7	104.2	-93.4	151.6	0	0	0	109.8
525	S	35.6	Very low	31.5	Very low	105 Å²	105	170.8 Å²	170.8	73%	0.734	84%	0.838	S	S	*	*			trans	-55	140.6	179	-27.5	0	0	0	0	115
526	R	35.1	Very low	31.5	Very low	318 Å²	318	175.5 Å²	175.5	100%	1.2	84%	0.84	S	S	*	*				-174.6	0	104.6	-100.6	179.9	-179.5	-167.5	0.2	112.5

Retrieved 526 of 526 residues in 167 ms (Link to these results)

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