A0A087YFB3_POEFO Loading...

dual-specificity kinase

AlphaFold DB , UniProt , Accession A0A087YFB3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 576 aa.

Structure Viewer

Loading PAE data...

(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	41.5	Very low	29.1	Very low	244 Å²	244	168.2 Å²	168.2	100%	1.202	88%	0.878	S	S	*	*				0	111.7	0	-85.4	175.2	162.8	0	0	108.8
2	M	23.4	Very low	29	Very low	192 Å²	192	167.7 Å²	167.7	95%	0.946	87%	0.874	S	S	*	*			trans	-145.8	138.3	161	-84.3	-164.9	173.5	0	0	109.1
3	I	27.6	Very low	28.7	Very low	168 Å²	168	161.9 Å²	161.9	86%	0.862	87%	0.866	S	S	*	*			trans	-89.5	133.3	-177.7	-64.9	165.1	0	0	0	107.9
4	I	26.6	Very low	28.5	Very low	160 Å²	160	160 Å²	160	82%	0.821	86%	0.863	S	S	*	*			trans	-119.6	121.1	166	-62.9	-177.6	0	0	0	108.7
5	S	26.1	Very low	28.3	Very low	109 Å²	109	154.3 Å²	154.3	76%	0.762	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-74.3	140.7	-173.5	-170.1	0	0	0	0	112.2
6	R	27.9	Very low	28.1	Very low	241 Å²	241	160.3 Å²	160.3	91%	0.909	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-85.5	124.5	171.9	-73.4	-175	175	-174.4	-1.8	110.1
7	K	28.4	Very low	28.1	Very low	198 Å²	198	160.7 Å²	160.7	86%	0.861	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-71.3	149.2	165.1	-75.2	-177.4	175.2	-180	0	110.3
8	P	30	Very low	28	Very low	126 Å²	126	156.2 Å²	156.2	82%	0.818	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-76.5	141.3	173.6	31.7	-33.8	0	0	0	111.4
9	E	30.6	Very low	28.3	Very low	195 Å²	195	157.2 Å²	157.2	91%	0.911	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-80.9	140.4	171.6	-68.1	-176.6	148.6	0	0	111.1
10	A	28.8	Very low	28.4	Very low	87 Å²	87	152.8 Å²	152.8	72%	0.719	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-76.8	154.3	177.2	0	0	0	0	0	111.6	I12	A10-I12 PolarHBondContact O-N 3.3Å
11	P	29.3	Very low	28.4	Very low	130 Å²	130	153 Å²	153	84%	0.844	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-67.9	133.7	-173.1	26.5	-34.7	0	0	0	113.1	A13	P11-A13 PolarHBondContact O-N 2.79Å
12	I	27.9	Very low	27.8	Very low	162 Å²	162	147 Å²	147	83%	0.831	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-64.7	120.9	176.3	-62.9	171.3	0	0	0	109.8	A10 T14	A10-I12 PolarHBondContact O-N 3.3Å; I12-T14 PolarHBondContact O-N 3.21Å
13	A	24.6	Very low	28.2	Very low	93 Å²	93	141.6 Å²	141.6	77%	0.769	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-64	126.2	176.7	0	0	0	0	0	111.4	P11 A15	P11-A13 PolarHBondContact O-N 2.79Å; A13-A15 PolarHBondContact O-N 2.91Å; A13-A15 VanDerWaalsContact O-N 3.12Å
14	T	26.3	Very low	28.2	Very low	135 Å²	135	136.7 Å²	136.7	83%	0.828	76%	0.764	S	S	*	*			trans	-76.2	98.1	178.7	37.4	0	0	0	0	111.2	I12 R16	I12-T14 PolarHBondContact O-N 3.21Å; T14-R16 PolarHBondContact O-N 2.99Å
15	A	24.9	Very low	28.6	Very low	74 Å²	74	135.4 Å²	135.4	61%	0.612	75%	0.749	S	S	*	*			trans	-62.1	105.4	171.9	0	0	0	0	0	110.8	A13 H17	A13-A15 PolarHBondContact O-N 2.91Å; A13-A15 VanDerWaalsContact O-N 3.12Å; A15-H17 PolarHBondContact O-N 3.35Å; A15-H17 PolarHBondContact O-ND1 3.25Å
16	R	26.2	Very low	29.3	Very low	251 Å²	251	134.4 Å²	134.4	95%	0.947	73%	0.734	S	S	*	*			trans	-60.8	103	169.3	-69.6	-176.4	-178.5	-178.6	1	108.9	T14	T14-R16 PolarHBondContact O-N 2.99Å
17	H	28.2	Very low	29.5	Very low	167 Å²	167	133.4 Å²	133.4	77%	0.773	73%	0.73	S	S	*	*			trans	-77.4	132.2	171.5	-75.6	58.4	0	0	0	108.8	A15 D19	A15-H17 PolarHBondContact O-N 3.35Å; A15-H17 PolarHBondContact O-ND1 3.25Å; H17-D19 PolarHBondContact O-N 3.49Å
18	G	25.7	Very low	29.5	Very low	80 Å²	80	129.6 Å²	129.6	83%	0.825	72%	0.723	S	S	*	*			trans	-73.3	114.4	-174.5	0	0	0	0	0	112.8
19	D	33.5	Very low	29.3	Very low	175 Å²	175	130.5 Å²	130.5	94%	0.936	72%	0.721	S	S	*	*			trans	-66.7	124.7	158.1	-69.4	-47.2	0	0	0	108.9	H17	H17-D19 PolarHBondContact O-N 3.49Å
20	G	29.7	Very low	29.2	Very low	68 Å²	68	129.7 Å²	129.7	70%	0.701	72%	0.717	S	S	*	*			trans	167.7	-12.7	175.9	0	0	0	0	0	119.2
21	L	28.4	Very low	29.1	Very low	159 Å²	159	132.5 Å²	132.5	83%	0.832	72%	0.719	S	S	*	*	S	Bend	trans	-117.7	6.2	-167.2	-90	156.8	0	0	0	116.9
22	Y	30.2	Very low	29.1	Very low	116 Å²	116	133.8 Å²	133.8	46%	0.455	72%	0.718	S	S	.	*	S	Bend	trans	-108.9	-12.7	176	-132.1	-81.4	0	0	0	114.6	Y350	Y22-Y350 HydrophobicContact CD1-CD1 4.13Å; Y22-Y350 AromaticContact CD1-CE1 3.42Å; Y22-Y350 HydrophobicContact CD1-CE1 3.42Å; Y22-Y350 VanDerWaalsContact CD1-CE1 3.42Å; Y22-Y350 HydrophobicContact CD2-CD1 4.47Å; Y22-Y350 HydrophobicContact CD2-CE1 4.42Å; Y22-Y350 HydrophobicContact CE1-CD1 4.17Å; Y22-Y350 AromaticContact CE1-CE1 3.74Å; Y22-Y350 HydrophobicContact CE1-CE1 3.74Å; Y22-Y350 HydrophobicContact CG-CD1 4.26Å; Y22-Y350 AromaticContact CG-CE1 3.78Å; Y22-Y350 HydrophobicContact CG-CE1 3.78Å
23	D	32.3	Very low	29.1	Very low	79 Å²	79	135.1 Å²	135.1	42%	0.422	72%	0.718	S	S	.	*	S	Bend	trans	-90.2	-6.2	-174.3	-99.6	8.2	0	0	0	114.1	Y25 R354	D23-Y25 VanDerWaalsContact C-N 3.34Å; D23-Y25 PolarHBondContact O-N 3.48Å; D23-R354 IonicContact OD1-CZ 2.72Å; D23-R354 IonicContact OD1-NH2 3.41Å; D23-R354 PolarHBondContact OD1-NH2 3.35Å
24	S	26.5	Very low	29.3	Very low	66 Å²	66	138.3 Å²	138.3	46%	0.462	72%	0.722	S	S	.	*	G	3₁₀ helix	trans	-72.5	-19.3	-176.6	48.4	0	0	0	0	114.9
25	Y	36.2	Very low	29.4	Very low	132 Å²	132	141.3 Å²	141.3	52%	0.518	73%	0.726	S	S	.	*	G	3₁₀ helix	trans	-94.5	9.8	-168.4	-71.9	-77.1	0	0	0	116.1	D23	D23-Y25 VanDerWaalsContact C-N 3.34Å; D23-Y25 PolarHBondContact O-N 3.48Å
26	M	40	Very low	29.5	Very low	89 Å²	89	142.5 Å²	142.5	44%	0.438	74%	0.736	S	S	.	*	G	3₁₀ helix	trans	-98.7	20.9	172.4	-72.5	-68.6	-168.2	0	0	113.3
27	R	32.5	Very low	29.6	Very low	219 Å²	219	138.8 Å²	138.8	83%	0.826	74%	0.735	S	S	*	*			trans	-102.7	99.5	174.6	-73.3	-173.6	-177.2	168.8	1.9	111.2
28	T	27.3	Very low	29.6	Very low	118 Å²	118	135 Å²	135	72%	0.724	73%	0.732	S	S	*	*			trans	-127	61	157.4	53.8	0	0	0	0	109.7
29	D	26.3	Very low	29.6	Very low	145 Å²	145	139.1 Å²	139.1	78%	0.775	74%	0.736	S	S	*	*			trans	-94.4	83.3	164.3	-70.3	-44.5	0	0	0	108.4
30	H	27.8	Very low	29.3	Very low	178 Å²	178	136.2 Å²	136.2	82%	0.824	73%	0.729	S	S	*	*			trans	-93.2	91.4	162.7	-80.3	-69.4	0	0	0	108.4	L32	H30-L32 PolarHBondContact O-N 2.9Å
31	I	27.9	Very low	29.8	Very low	146 Å²	146	138.5 Å²	138.5	75%	0.749	73%	0.732	S	S	*	*			trans	-77.2	105.6	161.9	-66	171.9	0	0	0	106.7	K33	I31-K33 HydrophobicContact CG2-CG 4.25Å; I31-K33 PolarHBondContact O-N 3.48Å
32	L	27.9	Very low	29.7	Very low	157 Å²	157	137.1 Å²	137.1	82%	0.822	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-69.1	122.4	157.1	-68.2	166.5	0	0	0	106.9	H30	H30-L32 PolarHBondContact O-N 2.9Å
33	K	28.2	Very low	29.5	Very low	191 Å²	191	135.5 Å²	135.5	83%	0.83	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-100.9	118.1	159.6	-86.8	-171	171.3	-172.5	0	106.6	I31	I31-K33 HydrophobicContact CG2-CG 4.25Å; I31-K33 PolarHBondContact O-N 3.48Å
34	D	28.9	Very low	29.2	Very low	160 Å²	160	139.8 Å²	139.8	86%	0.856	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-71.4	138	163.8	-64.8	-44.8	0	0	0	108.8
35	E	27.8	Very low	29.5	Very low	197 Å²	197	142.2 Å²	142.2	92%	0.921	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-86.1	142.1	168	-67	-171.4	141.6	0	0	109.9
36	A	29	Very low	29.5	Very low	100 Å²	100	141.7 Å²	141.7	83%	0.826	80%	0.803	S	S	*	*			trans	-145	125.4	165	0	0	0	0	0	108.5
37	D	27.1	Very low	28.9	Very low	172 Å²	172	145.3 Å²	145.3	92%	0.92	82%	0.821	S	S	*	*			trans	-68.6	146.7	-175.4	-67.9	-67.7	0	0	0	114.1
38	A	27.6	Very low	28.8	Very low	87 Å²	87	140.9 Å²	140.9	72%	0.719	82%	0.82	S	S	*	*				-174.2	118.5	129.5	0	0	0	0	0	113.9
39	N	26.8	Very low	28.7	Very low	167 Å²	167	143.9 Å²	143.9	89%	0.893	82%	0.823	S	S	*	*			trans	62.4	113.4	146.3	-63	-13.4	0	0	0	123
40	S	27.1	Very low	28.8	Very low	114 Å²	114	145.9 Å²	145.9	80%	0.797	83%	0.827	S	S	*	*			trans	-70.5	-169.9	161.3	-33.1	0	0	0	0	113.2
41	P	39.8	Very low	28.7	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	82%	0.824	S	S	*	*			cis	-137.8	169.4	-6	40.5	-23.7	0	0	0	116.3
42	S	26.9	Very low	28.6	Very low	129 Å²	129	142.4 Å²	142.4	90%	0.902	83%	0.825	S	S	*	*			trans	173.7	144.9	132.9	40.5	0	0	0	0	113.9
43	G	26.6	Very low	28.5	Very low	82 Å²	82	141.8 Å²	141.8	85%	0.845	83%	0.828	S	S	*	*			trans	98.8	89.1	153.9	0	0	0	0	0	119.9
44	L	24.9	Very low	28.3	Very low	170 Å²	170	135.2 Å²	135.2	89%	0.89	82%	0.815	S	S	*	*			trans	-106.3	148.3	151.5	-83	170.4	0	0	0	108
45	P	32.8	Very low	28.1	Very low	117 Å²	117	136.1 Å²	136.1	76%	0.76	82%	0.819	S	S	*	*				-154.7	-159.3	83.2	38.6	-15.2	0	0	0	113.8
46	P	35.3	Very low	28	Very low	120 Å²	120	136 Å²	136	78%	0.779	82%	0.816	S	S	*	*				-125.9	175.1	-65.9	37.9	-23	0	0	0	114.1
47	M	28.5	Very low	27.9	Very low	166 Å²	166	137.9 Å²	137.9	82%	0.818	82%	0.817	S	S	*	*			trans	-87.9	157.7	170	-60.5	-159.6	-55.2	0	0	113.6
48	P	29.5	Very low	28	Very low	126 Å²	126	135.8 Å²	135.8	82%	0.818	81%	0.81	S	S	*	*			trans	-95.6	146.4	157	33.9	-26.8	0	0	0	113.1
49	K	27	Very low	27.8	Very low	181 Å²	181	140 Å²	140	79%	0.787	82%	0.817	S	S	*	*			trans	-117.1	153.2	165.3	-67.6	179.2	178.3	176.9	0	109
50	H	28.1	Very low	27.8	Very low	186 Å²	186	143.8 Å²	143.8	86%	0.861	82%	0.819	S	S	*	*			trans	166.2	160.5	146.2	-91.5	-62.4	0	0	0	109.1
51	T	25.6	Very low	27.8	Very low	122 Å²	122	145.3 Å²	145.3	75%	0.748	82%	0.818	S	S	*	*			cis	-159.2	160.9	-44.4	-87	0	0	0	0	107.6
52	V	25.4	Very low	27.1	Very low	129 Å²	129	147.9 Å²	147.9	78%	0.782	82%	0.82	S	S	*	*			trans	-74.9	143.3	-172.5	173.5	0	0	0	0	115.7
53	V	26.1	Very low	27.1	Very low	145 Å²	145	148.8 Å²	148.8	88%	0.879	81%	0.814	S	S	*	*			trans	-151.3	142.6	145.5	-172.2	0	0	0	0	108.2
54	G	23.6	Very low	27	Very low	53 Å²	53	150.9 Å²	150.9	55%	0.546	82%	0.815	S	S	.	*			cis	135.3	84.1	-19	0	0	0	0	0	116.7
55	N	25.2	Very low	27.1	Very low	178 Å²	178	148.4 Å²	148.4	95%	0.952	81%	0.807	S	S	*	*			trans	-160.5	154.4	159.6	-112.5	-16.8	0	0	0	116.9
56	K	25.5	Very low	26.8	Very low	194 Å²	194	154.7 Å²	154.7	84%	0.843	82%	0.815	S	S	*	*			trans	-97.4	-176.1	177.4	-83.2	-179.9	171.8	177.9	0	112.2
57	V	27.4	Very low	26.2	Very low	140 Å²	140	152.9 Å²	152.9	85%	0.848	82%	0.819	S	S	*	*			trans	111.2	135.7	155.6	175.9	0	0	0	0	113.9
58	V	27.3	Very low	26.1	Very low	128 Å²	128	149 Å²	149	78%	0.776	82%	0.82	S	S	*	*			cis	-160.3	159.3	-18.2	131.8	0	0	0	0	107.8
59	M	25.3	Very low	25.9	Very low	175 Å²	175	151.5 Å²	151.5	86%	0.862	82%	0.821	S	S	*	*			trans	-68.5	152.2	170.9	-75.7	172.5	137.3	0	0	114.3
60	R	26.1	Very low	25.8	Very low	248 Å²	248	149.7 Å²	149.7	94%	0.936	82%	0.819	S	S	*	*			trans	-157.3	127.6	145.7	-129.7	173	-174.3	143.8	1.6	113.7
61	D	26.1	Very low	25.8	Very low	146 Å²	146	150 Å²	150	78%	0.781	82%	0.819	S	S	*	*			trans	-76.9	153.4	164.1	-65.4	-60.7	0	0	0	111.4
62	Q	27	Very low	25.8	Very low	171 Å²	171	152.4 Å²	152.4	80%	0.799	83%	0.826	S	S	*	*				174	131.3	104.3	-91.1	-163.8	8.7	0	0	114.5
63	L	25.6	Very low	25.9	Very low	148 Å²	148	151.2 Å²	151.2	78%	0.775	83%	0.831	S	S	*	*			trans	28.8	126.6	134.1	-65.9	159	0	0	0	121.1
64	S	24.3	Very low	25.8	Very low	125 Å²	125	147.9 Å²	147.9	87%	0.874	83%	0.826	S	S	*	*				-158.4	161.1	119.7	-164.1	0	0	0	0	112.2
65	V	26.6	Very low	25.8	Very low	118 Å²	118	150.6 Å²	150.6	72%	0.715	84%	0.836	S	S	*	*			trans	-127	137.3	-164.2	170.6	0	0	0	0	111.8
66	R	26.6	Very low	25.8	Very low	250 Å²	250	148.5 Å²	148.5	94%	0.943	83%	0.83	S	S	*	*			trans	170.1	141.7	148.3	-96.3	163.8	-177.8	-151.3	0.7	107.5
67	G	24.2	Very low	25.8	Very low	82 Å²	82	142.9 Å²	142.9	85%	0.845	83%	0.827	S	S	*	*			cis	145.9	109.3	2	0	0	0	0	0	108.8
68	G	25.7	Very low	25.8	Very low	83 Å²	83	145.5 Å²	145.5	86%	0.856	83%	0.83	S	S	*	*			trans	-175.3	90	-172.9	0	0	0	0	0	114.6
69	Q	25.1	Very low	25.7	Very low	180 Å²	180	145.8 Å²	145.8	84%	0.841	83%	0.832	S	S	*	*			trans	-74.2	133.6	172.7	-115.5	172.9	-7.5	0	0	110.5
70	L	26	Very low	25.9	Very low	142 Å²	142	143.2 Å²	143.2	74%	0.743	83%	0.829	S	S	*	*				150.5	148.8	99.4	-93.8	148.6	0	0	0	105.3
71	K	27.3	Very low	25.8	Very low	194 Å²	194	137.5 Å²	137.5	84%	0.843	82%	0.822	S	S	*	*			cis	-163.5	153.8	43.2	-127.5	165.4	-168.2	179.6	0	110
72	N	25.2	Very low	25.8	Very low	171 Å²	171	140.4 Å²	140.4	91%	0.914	83%	0.827	S	S	*	*			trans	-74.8	144.8	169.7	-94.5	-16.3	0	0	0	112.4
73	A	27.2	Very low	25.7	Very low	105 Å²	105	138.9 Å²	138.9	87%	0.868	83%	0.83	S	S	*	*			trans	-148.6	129.1	146	0	0	0	0	0	106.8
74	G	23.9	Very low	25.7	Very low	75 Å²	75	138 Å²	138	77%	0.773	83%	0.831	S	S	*	*			trans	-125.7	161.2	-175.6	0	0	0	0	0	112.2
75	S	24.3	Very low	25.9	Very low	109 Å²	109	138.4 Å²	138.4	76%	0.762	83%	0.827	S	S	*	*			trans	-178.4	141.8	143.1	52.6	0	0	0	0	112.1
76	T	25.8	Very low	25.9	Very low	134 Å²	134	138.2 Å²	138.2	82%	0.822	83%	0.832	S	S	*	*			trans	51	109.3	148.2	55.4	0	0	0	0	119.2
77	G	25.1	Very low	26	Very low	77 Å²	77	132.4 Å²	132.4	79%	0.794	82%	0.824	S	S	*	*			trans	-78.9	159.2	163.2	0	0	0	0	0	113.2
78	Q	27.2	Very low	26	Very low	195 Å²	195	137 Å²	137	91%	0.911	83%	0.828	S	S	*	*			trans	-139.7	139.4	162.2	-80.1	-175	14.4	0	0	110
79	T	24.9	Very low	26.2	Very low	134 Å²	134	137.7 Å²	137.7	82%	0.822	82%	0.82	S	S	*	*			trans	-92	141.4	176.3	36.2	0	0	0	0	111.3	T81	T79-T81 PolarHBondContact O-N 3.31Å
80	P	29	Very low	26.3	Very low	121 Å²	121	138.3 Å²	138.3	79%	0.786	82%	0.82	S	S	*	*			trans	-84.1	102	171.5	-3.7	21.8	0	0	0	111.9
81	T	25.8	Very low	26.4	Very low	128 Å²	128	138.1 Å²	138.1	79%	0.785	82%	0.82	S	S	*	*			trans	29.2	123.3	138.9	56	0	0	0	0	120.9	T79	T79-T81 PolarHBondContact O-N 3.31Å
82	K	25.1	Very low	26.5	Very low	207 Å²	207	137.9 Å²	137.9	90%	0.9	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-66.6	139.1	161.1	-67.4	176.9	175.7	179	0	111.6
83	T	24.7	Very low	26.6	Very low	139 Å²	139	135.4 Å²	135.4	85%	0.853	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81.2	122.2	167.7	-47.8	0	0	0	0	110.3
84	T	25.9	Very low	26.6	Very low	129 Å²	129	135 Å²	135	79%	0.791	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77.4	134.4	178.5	40.6	0	0	0	0	112.8
85	V	29.3	Very low	26.9	Very low	133 Å²	133	139.1 Å²	139.1	81%	0.806	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-76.2	126.9	164.8	176.6	0	0	0	0	108.6
86	S	25.3	Very low	27.2	Very low	115 Å²	115	138.6 Å²	138.6	80%	0.804	82%	0.815	S	S	*	*			trans	-99.9	106.3	177.6	59.4	0	0	0	0	111.5
87	T	28.6	Very low	27.3	Very low	127 Å²	127	137.6 Å²	137.6	78%	0.779	81%	0.813	S	S	*	*			trans	-102.2	125.8	165.9	33.1	0	0	0	0	110
88	L	24.8	Very low	27.5	Very low	178 Å²	178	141.5 Å²	141.5	93%	0.932	82%	0.816	S	S	*	*			trans	-95.8	100	174.7	-84.8	160.8	0	0	0	109.6
89	S	28.9	Very low	27.6	Very low	99 Å²	99	136.7 Å²	136.7	69%	0.692	80%	0.804	S	S	*	*			trans	-89.1	136.6	158.1	46.7	0	0	0	0	109.5
90	K	28.3	Very low	27.9	Very low	192 Å²	192	136.2 Å²	136.2	84%	0.835	81%	0.806	S	S	*	*			trans	-107.9	108.9	168.8	-83.1	-171.5	172.6	-170.5	0	108.3
91	D	27.7	Very low	28.1	Very low	138 Å²	138	140.8 Å²	140.8	74%	0.738	81%	0.813	S	S	*	*			trans	-99.1	140.5	164.1	-68	-46.6	0	0	0	109.8
92	H	29.6	Very low	28.1	Very low	190 Å²	190	138.6 Å²	138.6	88%	0.88	82%	0.816	S	S	*	*			trans	-120.7	126.5	164.1	-90.9	-70.2	0	0	0	107.5
93	S	26.7	Very low	28.4	Very low	118 Å²	118	134.1 Å²	134.1	83%	0.825	81%	0.811	S	S	*	*			trans	-128.4	127.9	-178.8	-50.5	0	0	0	0	110.5
94	A	28.5	Very low	28.5	Very low	97 Å²	97	134.7 Å²	134.7	80%	0.802	81%	0.814	S	S	*	*			trans	-166.9	101.1	156.8	0	0	0	0	0	104.8
95	D	28.6	Very low	28.7	Very low	161 Å²	161	137.1 Å²	137.1	86%	0.861	82%	0.817	S	S	*	*				91.9	125.7	60.3	-171.1	30.9	0	0	0	112.7
96	S	30.9	Very low	28.7	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	81%	0.814	S	S	*	*			trans	141.8	104.2	146.8	78.4	0	0	0	0	114.3
97	S	29.5	Very low	28.8	Very low	113 Å²	113	136.2 Å²	136.2	79%	0.79	82%	0.816	S	S	*	*			trans	19.4	130.9	142.6	58.7	0	0	0	0	122
98	D	27.8	Very low	28.7	Very low	158 Å²	158	134.1 Å²	134.1	85%	0.845	82%	0.82	S	S	*	*				-158.4	-177.6	102.9	-152.7	-11.2	0	0	0	111.1
99	S	30.2	Very low	28.9	Very low	95 Å²	95	131.3 Å²	131.3	66%	0.664	82%	0.815	S	S	*	*			trans	-111	157.1	-153.3	55.8	0	0	0	0	114.5
100	S	30.3	Very low	29.2	Very low	123 Å²	123	136.3 Å²	136.3	86%	0.86	83%	0.828	S	S	*	*				170.8	153.8	128.8	45	0	0	0	0	112.6
101	K	33.2	Very low	29.2	Very low	218 Å²	218	130.6 Å²	130.6	95%	0.948	82%	0.823	S	S	*	*			trans	-93.1	146.9	174.4	-70.2	174.7	174.5	175.9	0	110.4
102	G	26.3	Very low	29.6	Very low	81 Å²	81	129.3 Å²	129.3	84%	0.835	83%	0.832	S	S	*	*			trans	-172.4	125.8	165.2	0	0	0	0	0	111.6
103	S	30.8	Very low	29.6	Very low	113 Å²	113	123.5 Å²	123.5	79%	0.79	82%	0.823	S	S	*	*			trans	-139	110.3	-174.9	55.1	0	0	0	0	111.6
104	T	28.2	Very low	30.1	Very low	152 Å²	152	126.2 Å²	126.2	93%	0.933	83%	0.828	S	S	*	*			trans	-162.8	169.4	157.1	8.7	0	0	0	0	111.4
105	E	29.5	Very low	30.4	Very low	179 Å²	179	124.4 Å²	124.4	84%	0.836	82%	0.82	S	S	*	*			trans	-102.2	165.4	-154.3	-51.7	174.2	122.8	0	0	115.8
106	S	28.5	Very low	31.1	Very low	108 Å²	108	121.7 Å²	121.7	76%	0.755	81%	0.813	S	S	*	*			trans	92.5	158.9	136	85.6	0	0	0	0	121.4
107	S	27.2	Very low	31.6	Very low	122 Å²	122	126.9 Å²	126.9	85%	0.853	82%	0.823	S	S	*	*			trans	73	124.1	177.7	75.5	0	0	0	0	116.6
108	G	27.5	Very low	32.5	Very low	82 Å²	82	128.7 Å²	128.7	85%	0.845	82%	0.823	S	S	*	*			trans	-103.7	167.1	-177.2	0	0	0	0	0	113.2
109	S	28.1	Very low	34	Very low	120 Å²	120	123 Å²	123	84%	0.839	80%	0.796	S	S	*	*			trans	-136.8	140.3	161.1	55.2	0	0	0	0	109.7	G111	S109-G111 PolarHBondContact O-N 3.01Å
110	Q	35.5	Very low	36.1	Very low	204 Å²	204	125.6 Å²	125.6	95%	0.953	80%	0.802	S	S	*	*			trans	-75.7	107.6	177.8	-70.2	-178.4	-11.1	0	0	109.7
111	G	28.4	Very low	39.1	Very low	72 Å²	72	122.3 Å²	122.3	74%	0.742	78%	0.777	S	S	*	*			trans	-99	106	166.2	0	0	0	0	0	110.3	S109 G113	S109-G111 PolarHBondContact O-N 3.01Å; G111-G113 PolarHBondContact O-N 3.21Å
112	A	36.6	Very low	42.1	Very low	111 Å²	111	113.7 Å²	113.7	92%	0.917	74%	0.741	S	S	*	*			trans	-72.8	70	173.5	0	0	0	0	0	111.2
113	G	29.4	Very low	45.5	Very low	68 Å²	68	111.4 Å²	111.4	70%	0.701	71%	0.712	S	S	*	*			trans	-73.6	122.5	173.1	0	0	0	0	0	110.8	G111 G115	G111-G113 PolarHBondContact O-N 3.21Å; G113-G115 PolarHBondContact O-N 3.12Å
114	N	37.6	Very low	48.7	Very low	174 Å²	174	106.4 Å²	106.4	93%	0.93	68%	0.677	S	S	*	*			trans	-74.6	66.9	-179.7	-162.5	24	0	0	0	111.3
115	G	33.5	Very low	52	Low	60 Å²	60	104.3 Å²	104.3	62%	0.619	66%	0.656	S	S	*	*			trans	-72.9	125.7	179.8	0	0	0	0	0	111.5	G113 K117	G113-G115 PolarHBondContact O-N 3.12Å; G115-K117 PolarHBondContact O-N 3.42Å; G115-K117 VanDerWaalsContact O-N 3.13Å
116	S	43.7	Very low	55.2	Low	104 Å²	104	99.6 Å²	99.6	73%	0.727	63%	0.634	S	S	*	*			trans	-56.1	119.1	166	49.7	0	0	0	0	108.8	L118	S116-L118 PolarHBondContact O-N 2.58Å
117	K	42.8	Very low	58.4	Low	207 Å²	207	94.4 Å²	94.4	90%	0.9	60%	0.598	S	S	*	*			trans	-54.3	106	174.9	-74.5	-176	176.4	-179.1	0	108.9	G115 C119	G115-K117 PolarHBondContact O-N 3.42Å; G115-K117 VanDerWaalsContact O-N 3.13Å; K117-C119 PolarHBondContact O-N 3.05Å
118	L	47.9	Very low	61.7	Low	151 Å²	151	89.5 Å²	89.5	79%	0.791	56%	0.563	S	S	*	*			trans	-59.4	129.7	164.8	-89.1	83	0	0	0	107.1	S116 N120	S116-L118 PolarHBondContact O-N 2.58Å; L118-N120 PolarHBondContact O-N 3.27Å
119	C	58.3	Low	65	Low	40 Å²	40	94.9 Å²	94.9	27%	0.27	56%	0.557	S	S	.	*			trans	-60.8	133.7	169.2	-175.2	0	0	0	0	108.5	K117 T121 H210	K117-C119 PolarHBondContact O-N 3.05Å; C119-T121 VanDerWaalsContact C-N 3.33Å; C119-T121 PolarHBondContact O-N 3.43Å; C119-T121 PolarHBondContact O-OG1 3.27Å; C119-H210 PolarHBondContact SG-O 2.89Å; C119-H210 VanDerWaalsContact SG-O 3.35Å
120	N	74.9	Confident	68.3	Low	148 Å²	148	93.8 Å²	93.8	79%	0.791	54%	0.541	S	S	*	.			trans	-62	94.6	177.1	-74.9	-7.2	0	0	0	109.5	L118	L118-N120 PolarHBondContact O-N 3.27Å
121	T	93.1	Very high	71.2	Confident	54 Å²	54	87.7 Å²	87.7	33%	0.331	51%	0.51	S	S	.	.			trans	-78.1	134.4	176.3	-51.7	0	0	0	0	108.2	C119 D148 Y150	C119-T121 VanDerWaalsContact C-N 3.33Å; C119-T121 PolarHBondContact O-N 3.43Å; C119-T121 PolarHBondContact O-OG1 3.27Å; T121-D148 HydrophobicContact CG2-CB 3.67Å; T121-Y150 HydrophobicContact CG2-CD1 4.34Å; T121-Y150 HydrophobicContact CG2-CE1 3.89Å; T121-Y150 WeakPolarHBondContact OG1-CE1 3.49Å
122	L	96.7	Very high	74.3	Confident	38 Å²	38	91.4 Å²	91.4	20%	0.199	50%	0.502	C	S	.	.	B	Isolated β-bridge	trans	-105.4	149.1	177.8	-61.1	175.1	0	0	0	110.3	Q126 A127 L130 Y131 I149	L122-Q126 HydrophobicContact CB-CB 4.25Å; L122-Q126 HydrophobicContact CD2-CB 4.3Å; L122-A127 HydrophobicContact CB-CB 4.39Å; L122-A127 HydrophobicContact CD1-CB 4.46Å; L122-L130 HydrophobicContact CD1-CD1 4Å; L122-L130 HydrophobicContact CD2-CD1 4.3Å; L122-Y131 HydrophobicContact CD1-CE2 3.83Å; L122-I149 HydrophobicContact CB-CB 4.21Å; L122-I149 PolarHBondContact N-O 3.35Å; L122-I149 WeakPolarHBondContact O-CB 3.16Å; L122-I149 PolarHBondContact O-N 2.82Å
123	S	97.5	Very high	77.1	Confident	32 Å²	32	91.5 Å²	91.5	22%	0.224	50%	0.496	C	S	.	.			trans	-74.8	161.7	164.1	86.7	0	0	0	0	111.2	E125 Q126 A127	S123-E125 VanDerWaalsContact C-N 3.26Å; S123-E125 VanDerWaalsContact CB-OE2 3.23Å; S123-E125 WeakPolarHBondContact CB-OE2 3.48Å; S123-E125 PolarHBondContact O-N 3.3Å; S123-E125 PolarHBondContact OG-N 2.85Å; S123-E125 PolarHBondContact OG-OE2 3.49Å; S123-Q126 VanDerWaalsContact N-OE1 3.09Å; S123-Q126 PolarHBondContact O-N 2.84Å; S123-Q126 WeakPolarHBondContact OG-CG 3.42Å; S123-Q126 PolarHBondContact OG-N 3.09Å; S123-A127 WeakPolarHBondContact O-CB 3.34Å; S123-A127 PolarHBondContact O-N 3.46Å
124	P	97.4	Very high	80.2	Confident	9 Å²	9	91.9 Å²	91.9	6%	0.058	48%	0.479	C	S	.	.	H	α-helix	trans	-53.1	-40.5	173.8	-28.6	36.9	0	0	0	113.5	A127 L128 I143 Y146	P124-A127 PolarHBondContact O-N 3.31Å; P124-L128 VanDerWaalsContact O-CB 3.27Å; P124-L128 WeakPolarHBondContact O-CB 3.23Å; P124-L128 VanDerWaalsContact O-CG 3.23Å; P124-L128 WeakPolarHBondContact O-CG 3.37Å; P124-L128 PolarHBondContact O-N 3.22Å; P124-I143 HydrophobicContact CB-CG1 4.44Å; P124-I143 HydrophobicContact CB-CG2 4.45Å; P124-Y146 WeakPolarHBondContact CG-O 3.41Å
125	E	97.1	Very high	82.9	Confident	107 Å²	107	84.1 Å²	84.1	50%	0.5	44%	0.438	S	S	.	.	H	α-helix	trans	-68.7	-40.7	-179.9	-52.8	69.6	-147.8	0	0	111.3	S123 L128 R129	S123-E125 VanDerWaalsContact C-N 3.26Å; S123-E125 VanDerWaalsContact CB-OE2 3.23Å; S123-E125 WeakPolarHBondContact CB-OE2 3.48Å; S123-E125 PolarHBondContact O-N 3.3Å; S123-E125 PolarHBondContact OG-N 2.85Å; S123-E125 PolarHBondContact OG-OE2 3.49Å; E125-L128 PolarHBondContact O-N 3.45Å; E125-R129 WeakPolarHBondContact O-CB 3.43Å; E125-R129 PolarHBondContact O-N 3.43Å
126	Q	97	Very high	85.8	Confident	80 Å²	80	82.7 Å²	82.7	37%	0.374	42%	0.417	S	S	.	.	H	α-helix	trans	-65.9	-45.9	176.2	-68.1	173.4	-11.1	0	0	110.9	L122 S123 R129 L130	L122-Q126 HydrophobicContact CB-CB 4.25Å; L122-Q126 HydrophobicContact CD2-CB 4.3Å; S123-Q126 VanDerWaalsContact N-OE1 3.09Å; S123-Q126 PolarHBondContact O-N 2.84Å; S123-Q126 WeakPolarHBondContact OG-CG 3.42Å; S123-Q126 PolarHBondContact OG-N 3.09Å; Q126-R129 PolarHBondContact O-N 3.47Å; Q126-L130 WeakPolarHBondContact O-CG 3.2Å; Q126-L130 PolarHBondContact O-N 3.5Å
127	A	97	Very high	88	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-62.2	-42.6	176	0	0	0	0	0	111.7	L122 S123 P124 R129 L130 Y131 I143 I149	L122-A127 HydrophobicContact CB-CB 4.39Å; L122-A127 HydrophobicContact CD1-CB 4.46Å; S123-A127 WeakPolarHBondContact O-CB 3.34Å; S123-A127 PolarHBondContact O-N 3.46Å; P124-A127 PolarHBondContact O-N 3.31Å; A127-R129 VanDerWaalsContact C-N 3.33Å; A127-R129 PolarHBondContact O-N 3.38Å; A127-L130 PolarHBondContact O-N 3.09Å; A127-Y131 WeakPolarHBondContact O-CB 3.24Å; A127-Y131 WeakPolarHBondContact O-CD2 3.23Å; A127-Y131 PolarHBondContact O-N 2.91Å; A127-I143 HydrophobicContact CB-CD1 3.69Å; A127-I149 HydrophobicContact CB-CB 4.19Å; A127-I149 HydrophobicContact CB-CG1 4.14Å; A127-I149 HydrophobicContact CB-CG2 3.81Å
128	L	96.8	Very high	90.3	Very high	19 Å²	19	75 Å²	75	10%	0.099	38%	0.381	C	S	.	.	H	α-helix	trans	-65.3	-32.5	174.4	-78.3	168.1	0	0	0	113.4	P124 E125 R132 L135 H140 I143 Q144	P124-L128 VanDerWaalsContact O-CB 3.27Å; P124-L128 WeakPolarHBondContact O-CB 3.23Å; P124-L128 VanDerWaalsContact O-CG 3.23Å; P124-L128 WeakPolarHBondContact O-CG 3.37Å; P124-L128 PolarHBondContact O-N 3.22Å; E125-L128 PolarHBondContact O-N 3.45Å; L128-R132 WeakPolarHBondContact O-CA 3.27Å; L128-R132 WeakPolarHBondContact O-CB 3.34Å; L128-R132 PolarHBondContact O-N 3.01Å; L128-L135 HydrophobicContact CD2-CD1 3.87Å; L128-H140 HydrophobicContact CD2-CB 4.23Å; L128-I143 HydrophobicContact CD1-CG2 3.75Å; L128-I143 HydrophobicContact CD2-CG2 4.04Å; L128-I143 HydrophobicContact CG-CG2 3.84Å; L128-Q144 VanDerWaalsContact CD1-NE2 3.27Å
129	R	96.7	Very high	92.6	Very high	195 Å²	195	67.9 Å²	67.9	74%	0.736	34%	0.344	S	S	*	.	H	α-helix	trans	-72	-37.8	175.6	-175	175.9	64.1	-178.6	-0.4	112.1	E125 Q126 A127	E125-R129 WeakPolarHBondContact O-CB 3.43Å; E125-R129 PolarHBondContact O-N 3.43Å; Q126-R129 PolarHBondContact O-N 3.47Å; A127-R129 VanDerWaalsContact C-N 3.33Å; A127-R129 PolarHBondContact O-N 3.38Å
130	L	96.1	Very high	94.3	Very high	96 Å²	96	68.1 Å²	68.1	50%	0.503	34%	0.342	S	S	.	.	H	α-helix	trans	-83.6	-38.1	-176.9	-67.8	172	0	0	0	113.3	L122 Q126 A127	L122-L130 HydrophobicContact CD1-CD1 4Å; L122-L130 HydrophobicContact CD2-CD1 4.3Å; Q126-L130 WeakPolarHBondContact O-CG 3.2Å; Q126-L130 PolarHBondContact O-N 3.5Å; A127-L130 PolarHBondContact O-N 3.09Å
131	Y	96.6	Very high	95.2	Very high	76 Å²	76	65.8 Å²	65.8	30%	0.298	33%	0.333	S	S	.	.	H	α-helix	trans	-118.3	16.1	-167.7	-56.7	-68.8	0	0	0	113.9	L122 A127 S133 Q134 L135 V152 P154	L122-Y131 HydrophobicContact CD1-CE2 3.83Å; A127-Y131 WeakPolarHBondContact O-CB 3.24Å; A127-Y131 WeakPolarHBondContact O-CD2 3.23Å; A127-Y131 PolarHBondContact O-N 2.91Å; Y131-S133 PolarHBondContact O-N 3.02Å; Y131-Q134 PolarHBondContact O-N 3.46Å; Y131-L135 PolarHBondContact O-N 3.41Å; Y131-L135 VanDerWaalsContact O-N 3.15Å; Y131-V152 HydrophobicContact CD1-CG2 4.05Å; Y131-V152 HydrophobicContact CD2-CG1 4.22Å; Y131-V152 HydrophobicContact CD2-CG2 3.83Å; Y131-V152 HydrophobicContact CE1-CG2 4.43Å; Y131-V152 HydrophobicContact CE2-CG2 4.24Å; Y131-V152 HydrophobicContact CG-CG2 3.73Å; Y131-P154 HydrophobicContact CD1-CB 4.49Å
132	R	94.4	Very high	95.3	Very high	150 Å²	150	65 Å²	65	57%	0.566	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-42.3	-174.1	-155	174	175.5	74.7	4.2	114.6	L128 Q134 H140	L128-R132 WeakPolarHBondContact O-CA 3.27Å; L128-R132 WeakPolarHBondContact O-CB 3.34Å; L128-R132 PolarHBondContact O-N 3.01Å; R132-Q134 VanDerWaalsContact C-N 3.32Å; R132-H140 PolarHBondContact O-CE1 3.08Å; R132-H140 PolarHBondContact O-NE2 3.46Å
133	S	94.4	Very high	95.3	Very high	113 Å²	113	63.2 Å²	63.2	79%	0.79	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.2	-176.9	51	0	0	0	0	114.3	Y131	Y131-S133 PolarHBondContact O-N 3.02Å
134	Q	95.3	Very high	95.3	Very high	76 Å²	76	66.5 Å²	66.5	36%	0.355	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-12.7	-178.7	-64.3	158	27.3	0	0	112	Y131 R132 K158	Y131-Q134 PolarHBondContact O-N 3.46Å; R132-Q134 VanDerWaalsContact C-N 3.32Å; Q134-K158 WeakPolarHBondContact O-CD 3.44Å; Q134-K158 VanDerWaalsContact O-CE 3.25Å; Q134-K158 WeakPolarHBondContact O-CE 3.34Å
135	L	94.7	Very high	95.3	Very high	12 Å²	12	69.7 Å²	69.7	6%	0.063	36%	0.355	C	S	.	.	S	Bend	trans	-91.7	138.4	173.6	-65.8	171.5	0	0	0	110.8	L128 Y131 E139 H140 I143 V152 Y188	L128-L135 HydrophobicContact CD2-CD1 3.87Å; Y131-L135 PolarHBondContact O-N 3.41Å; Y131-L135 VanDerWaalsContact O-N 3.15Å; L135-E139 HydrophobicContact CB-CB 4.18Å; L135-E139 HydrophobicContact CD2-CB 4.13Å; L135-H140 PolarHBondContact O-NE2 3.3Å; L135-I143 HydrophobicContact CD1-CD1 4.1Å; L135-V152 HydrophobicContact CD2-CB 4.03Å; L135-V152 HydrophobicContact CD2-CG1 4.4Å; L135-Y188 HydrophobicContact CD2-CE1 4.35Å
136	T	93.3	Very high	95.3	Very high	29 Å²	29	66.9 Å²	66.9	18%	0.178	34%	0.34	C	S	.	.			trans	-71	161.9	173	59.5	0	0	0	0	112.3	L138 E139 H140 K158	T136-L138 VanDerWaalsContact C-N 3.27Å; T136-L138 PolarHBondContact O-N 2.83Å; T136-E139 PolarHBondContact N-OE2 3.35Å; T136-E139 WeakPolarHBondContact O-CA 3.47Å; T136-E139 WeakPolarHBondContact O-CB 3.24Å; T136-E139 PolarHBondContact O-N 3Å; T136-E139 WeakPolarHBondContact OG1-CB 3.19Å; T136-E139 VanDerWaalsContact OG1-CG 3.23Å; T136-E139 WeakPolarHBondContact OG1-CG 3.44Å; T136-E139 PolarHBondContact OG1-N 3.07Å; T136-E139 PolarHBondContact OG1-OE2 3.22Å; T136-H140 PolarHBondContact O-CD2 2.96Å; T136-H140 PolarHBondContact O-N 3.11Å; T136-K158 HydrophobicContact CG2-CB 3.92Å; T136-K158 HydrophobicContact CG2-CD 4.08Å
137	T	90.6	Very high	95.3	Very high	116 Å²	116	67.8 Å²	67.8	71%	0.712	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-37	178.4	-46	0	0	0	0	113.4	H140	T137-H140 PolarHBondContact O-N 3.24Å
138	L	91.3	Very high	95.3	Very high	33 Å²	33	71.6 Å²	71.6	17%	0.173	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-43.6	173.8	-78.5	-178.3	0	0	0	111.5	T136 H140 T141 E142 V161 P163 C169 Y171	T136-L138 VanDerWaalsContact C-N 3.27Å; T136-L138 PolarHBondContact O-N 2.83Å; L138-H140 PolarHBondContact O-N 3.04Å; L138-T141 WeakPolarHBondContact O-CA 3.48Å; L138-T141 PolarHBondContact O-N 3.38Å; L138-T141 PolarHBondContact O-OG1 2.9Å; L138-E142 PolarHBondContact O-N 3.18Å; L138-V161 HydrophobicContact CD1-CB 3.76Å; L138-V161 HydrophobicContact CD1-CG1 3.42Å; L138-V161 VanDerWaalsContact CD1-CG1 3.42Å; L138-P163 HydrophobicContact CD2-CB 4.01Å; L138-P163 HydrophobicContact CD2-CG 3.75Å; L138-P163 HydrophobicContact CG-CG 4.23Å; L138-C169 HydrophobicContact CD1-CB 4.22Å; L138-Y171 HydrophobicContact CD1-CE2 4.04Å
139	E	95.3	Very high	95.4	Very high	2 Å²	2	70.8 Å²	70.8	1%	0.009	37%	0.369	C	S	.	.	H	α-helix	trans	-61.2	-27.2	177.3	-72.9	161.5	165.9	0	0	112.9	L135 T136 T141 I143 K158 H185 Y188 R262	L135-E139 HydrophobicContact CB-CB 4.18Å; L135-E139 HydrophobicContact CD2-CB 4.13Å; T136-E139 PolarHBondContact N-OE2 3.35Å; T136-E139 WeakPolarHBondContact O-CA 3.47Å; T136-E139 WeakPolarHBondContact O-CB 3.24Å; T136-E139 PolarHBondContact O-N 3Å; T136-E139 WeakPolarHBondContact OG1-CB 3.19Å; T136-E139 VanDerWaalsContact OG1-CG 3.23Å; T136-E139 WeakPolarHBondContact OG1-CG 3.44Å; T136-E139 PolarHBondContact OG1-N 3.07Å; T136-E139 PolarHBondContact OG1-OE2 3.22Å; E139-T141 PolarHBondContact O-N 3.12Å; E139-I143 VanDerWaalsContact O-CB 3.24Å; E139-I143 WeakPolarHBondContact O-CB 3.17Å; E139-I143 WeakPolarHBondContact O-CG2 3.48Å; E139-I143 PolarHBondContact O-N 2.91Å; E139-I143 VanDerWaalsContact O-N 3.09Å; E139-K158 VanDerWaalsContact CD-NZ 3.32Å; E139-K158 IonicContact OE1-NZ 3.93Å; E139-K158 PolarHBondContact OE1-NZ 3.34Å; E139-K158 WeakPolarHBondContact OE2-CD 3.48Å; E139-K158 WeakPolarHBondContact OE2-CE 3.23Å; E139-K158 IonicContact OE2-NZ 2.72Å; E139-K158 PolarHBondContact OE2-NZ 3.09Å; E139-H185 IonicContact OE1-CD2 2.91Å; E139-H185 IonicContact OE1-CE1 2.93Å; E139-H185 IonicContact OE1-NE2 3.34Å; E139-H185 PolarHBondContact OE1-NE2 2.9Å; E139-H185 VanDerWaalsContact OE1-NE2 3.09Å; E139-Y188 WeakPolarHBondContact CA-OH 3.32Å; E139-Y188 WeakPolarHBondContact CB-OH 3.18Å; E139-Y188 PolarHBondContact O-OH 3.01Å; E139-R262 IonicContact OE1-CZ 3.89Å; E139-R262 IonicContact OE1-NH1 3.97Å; E139-R262 IonicContact OE1-NH2 3.97Å; E139-R262 PolarHBondContact OE1-NH2 2.95Å
140	H	94.4	Very high	95.4	Very high	46 Å²	46	63.1 Å²	63.1	21%	0.213	34%	0.34	C	S	.	.	H	α-helix	trans	-61.7	-24.2	172.4	-70.5	-162	0	0	0	112.9	L128 R132 L135 T136 T137 L138	L128-H140 HydrophobicContact CD2-CB 4.23Å; R132-H140 PolarHBondContact O-CE1 3.08Å; R132-H140 PolarHBondContact O-NE2 3.46Å; L135-H140 PolarHBondContact O-NE2 3.3Å; T136-H140 PolarHBondContact O-CD2 2.96Å; T136-H140 PolarHBondContact O-N 3.11Å; T137-H140 PolarHBondContact O-N 3.24Å; L138-H140 PolarHBondContact O-N 3.04Å
141	T	93.9	Very high	95.5	Very high	99 Å²	99	59.9 Å²	59.9	61%	0.607	32%	0.322	S	S	*	.	H	α-helix	trans	-102.9	-37.9	176.4	63.7	0	0	0	0	113	L138 E139 I143 Q144	L138-T141 WeakPolarHBondContact O-CA 3.48Å; L138-T141 PolarHBondContact O-N 3.38Å; L138-T141 PolarHBondContact O-OG1 2.9Å; E139-T141 PolarHBondContact O-N 3.12Å; T141-I143 VanDerWaalsContact C-N 3.35Å; T141-I143 PolarHBondContact O-N 3.17Å; T141-Q144 WeakPolarHBondContact O-CB 3.43Å; T141-Q144 PolarHBondContact O-N 2.79Å
142	E	95.4	Very high	95.6	Very high	38 Å²	38	56.5 Å²	56.5	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-39.1	179.7	-175.4	-176.6	-120.6	0	0	111.7	L138 Q144 A145 Y146 Y188 R262	L138-E142 PolarHBondContact O-N 3.18Å; E142-Q144 PolarHBondContact O-N 2.89Å; E142-Q144 VanDerWaalsContact O-N 3.12Å; E142-A145 WeakPolarHBondContact O-CB 3.03Å; E142-A145 PolarHBondContact O-N 2.93Å; E142-Y146 HydrophobicContact CG-CE2 4.13Å; E142-Y146 WeakPolarHBondContact O-CD2 3.45Å; E142-Y188 HydrophobicContact CG-CE2 4.17Å; E142-Y188 PolarHBondContact OE2-OH 2.81Å; E142-R262 WeakPolarHBondContact OE1-CG 3.26Å; E142-R262 IonicContact OE1-CZ 2.69Å; E142-R262 IonicContact OE1-NE 3.8Å; E142-R262 PolarHBondContact OE1-NE 3.01Å; E142-R262 IonicContact OE1-NH2 3.8Å; E142-R262 IonicContact OE2-CZ 2.79Å; E142-R262 IonicContact OE2-NE 3.78Å; E142-R262 PolarHBondContact OE2-NE 2.86Å; E142-R262 VanDerWaalsContact OE2-NE 3.14Å; E142-R262 IonicContact OE2-NH2 3.72Å; E142-R262 PolarHBondContact OE2-NH2 3.17Å
143	I	97.1	Very high	95.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-59.5	-26.9	-177.5	-160.1	167.9	0	0	0	113.4	P124 A127 L128 L135 E139 T141 A145 Y146 I149 Y188	P124-I143 HydrophobicContact CB-CG1 4.44Å; P124-I143 HydrophobicContact CB-CG2 4.45Å; A127-I143 HydrophobicContact CB-CD1 3.69Å; L128-I143 HydrophobicContact CD1-CG2 3.75Å; L128-I143 HydrophobicContact CD2-CG2 4.04Å; L128-I143 HydrophobicContact CG-CG2 3.84Å; L135-I143 HydrophobicContact CD1-CD1 4.1Å; E139-I143 VanDerWaalsContact O-CB 3.24Å; E139-I143 WeakPolarHBondContact O-CB 3.17Å; E139-I143 WeakPolarHBondContact O-CG2 3.48Å; E139-I143 PolarHBondContact O-N 2.91Å; E139-I143 VanDerWaalsContact O-N 3.09Å; T141-I143 VanDerWaalsContact C-N 3.35Å; T141-I143 PolarHBondContact O-N 3.17Å; I143-A145 PolarHBondContact O-N 2.72Å; I143-Y146 PolarHBondContact O-N 3.2Å; I143-I149 HydrophobicContact CD1-CD1 4.01Å; I143-I149 HydrophobicContact CD1-CG1 4.15Å; I143-I149 HydrophobicContact CG1-CD1 3.44Å; I143-I149 VanDerWaalsContact CG1-CD1 3.44Å; I143-I149 HydrophobicContact CG1-CG1 4Å; I143-Y188 HydrophobicContact CB-CE1 4.03Å; I143-Y188 HydrophobicContact CB-CE2 4.09Å; I143-Y188 HydrophobicContact CD1-CD1 4.12Å; I143-Y188 HydrophobicContact CD1-CE1 3.79Å; I143-Y188 HydrophobicContact CG1-CD1 4.06Å; I143-Y188 HydrophobicContact CG1-CD2 4.47Å; I143-Y188 HydrophobicContact CG1-CE1 3.74Å; I143-Y188 HydrophobicContact CG1-CE2 4.19Å; I143-Y188 HydrophobicContact CG1-CG 4.4Å; I143-Y188 PolarHBondContact N-OH 3.22Å
144	Q	97	Very high	95.8	Very high	100 Å²	100	45.9 Å²	45.9	47%	0.467	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-66.6	-17.1	178.1	-64.3	-66.6	-29.7	0	0	113.1	L128 T141 E142 Y146	L128-Q144 VanDerWaalsContact CD1-NE2 3.27Å; T141-Q144 WeakPolarHBondContact O-CB 3.43Å; T141-Q144 PolarHBondContact O-N 2.79Å; E142-Q144 PolarHBondContact O-N 2.89Å; E142-Q144 VanDerWaalsContact O-N 3.12Å; Q144-Y146 VanDerWaalsContact C-N 3.33Å
145	A	97.1	Very high	95.8	Very high	76 Å²	76	49.4 Å²	49.4	63%	0.628	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-84.4	-4.2	173.9	0	0	0	0	0	113.7	E142 I143	E142-A145 WeakPolarHBondContact O-CB 3.03Å; E142-A145 PolarHBondContact O-N 2.93Å; I143-A145 PolarHBondContact O-N 2.72Å
146	Y	97.6	Very high	95.9	Very high	49 Å²	49	49.6 Å²	49.6	19%	0.192	28%	0.282	C	S	.	.			trans	-121.6	96.1	-174.3	-67	-86.6	0	0	0	110.3	P124 E142 I143 Q144 D148 I149 A187 Y188	P124-Y146 WeakPolarHBondContact CG-O 3.41Å; E142-Y146 HydrophobicContact CG-CE2 4.13Å; E142-Y146 WeakPolarHBondContact O-CD2 3.45Å; I143-Y146 PolarHBondContact O-N 3.2Å; Q144-Y146 VanDerWaalsContact C-N 3.33Å; Y146-D148 VanDerWaalsContact C-N 3.28Å; Y146-D148 PolarHBondContact O-N 3.14Å; Y146-I149 WeakPolarHBondContact O-CD1 3.47Å; Y146-A187 HydrophobicContact CD1-CB 4.44Å; Y146-A187 HydrophobicContact CE1-CB 3.75Å; Y146-Y188 HydrophobicContact CD1-CD2 4.28Å; Y146-Y188 AromaticContact CD2-CD2 3.41Å; Y146-Y188 HydrophobicContact CD2-CD2 3.41Å; Y146-Y188 VanDerWaalsContact CD2-CD2 3.41Å; Y146-Y188 AromaticContact CD2-CE2 3.54Å; Y146-Y188 HydrophobicContact CD2-CE2 3.54Å; Y146-Y188 AromaticContact CE2-CD2 4Å; Y146-Y188 HydrophobicContact CE2-CD2 4Å; Y146-Y188 AromaticContact CE2-CE2 3.97Å; Y146-Y188 HydrophobicContact CE2-CE2 3.97Å; Y146-Y188 AromaticContact CG-CD2 3.58Å; Y146-Y188 HydrophobicContact CG-CD2 3.58Å; Y146-Y188 HydrophobicContact CG-CE2 4.2Å
147	P	96.8	Very high	96	Very high	98 Å²	98	59.4 Å²	59.4	64%	0.636	32%	0.315	S	S	*	.	S	Bend	trans	-65.5	-30.5	-173.5	26.1	-34.9	0	0	0	113.3
148	D	97	Very high	96.2	Very high	80 Å²	80	55.3 Å²	55.3	43%	0.428	29%	0.288	S	S	.	.	S	Bend	trans	-106.7	107.6	178.9	-64.3	-45	0	0	0	110.6	T121 Y146 Y150	T121-D148 HydrophobicContact CG2-CB 3.67Å; Y146-D148 VanDerWaalsContact C-N 3.28Å; Y146-D148 PolarHBondContact O-N 3.14Å; D148-Y150 HydrophobicContact CB-CD2 4.42Å; D148-Y150 HydrophobicContact CB-CE2 3.55Å
149	I	98.2	Very high	96	Very high	2 Å²	2	58 Å²	58	1%	0.01	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-99.8	115.7	176.3	-52.3	-57.8	0	0	0	109.7	L122 A127 I143 Y146 V152 Y188	L122-I149 HydrophobicContact CB-CB 4.21Å; L122-I149 PolarHBondContact N-O 3.35Å; L122-I149 WeakPolarHBondContact O-CB 3.16Å; L122-I149 PolarHBondContact O-N 2.82Å; A127-I149 HydrophobicContact CB-CB 4.19Å; A127-I149 HydrophobicContact CB-CG1 4.14Å; A127-I149 HydrophobicContact CB-CG2 3.81Å; I143-I149 HydrophobicContact CD1-CD1 4.01Å; I143-I149 HydrophobicContact CD1-CG1 4.15Å; I143-I149 HydrophobicContact CG1-CD1 3.44Å; I143-I149 VanDerWaalsContact CG1-CD1 3.44Å; I143-I149 HydrophobicContact CG1-CG1 4Å; Y146-I149 WeakPolarHBondContact O-CD1 3.47Å; I149-V152 HydrophobicContact CG2-CG1 3.69Å; I149-Y188 HydrophobicContact CD1-CD1 4.16Å; I149-Y188 HydrophobicContact CD1-CD2 4.21Å; I149-Y188 HydrophobicContact CD1-CG 3.73Å; I149-Y188 HydrophobicContact CG2-CD1 4.49Å
150	Y	98.1	Very high	95.2	Very high	35 Å²	35	63.8 Å²	63.8	14%	0.137	33%	0.333	C	S	.	.			trans	-106.2	-30.9	176.3	-52.9	-88.4	0	0	0	112.7	T121 D148 Y188 R189 K211	T121-Y150 HydrophobicContact CG2-CD1 4.34Å; T121-Y150 HydrophobicContact CG2-CE1 3.89Å; T121-Y150 WeakPolarHBondContact OG1-CE1 3.49Å; D148-Y150 HydrophobicContact CB-CD2 4.42Å; D148-Y150 HydrophobicContact CB-CE2 3.55Å; Y150-Y188 PolarHBondContact N-O 3Å; Y150-R189 HydrophobicContact CD2-CB 3.97Å; Y150-R189 HydrophobicContact CD2-CG 3.97Å; Y150-K211 HydrophobicContact CD1-CB 3.85Å; Y150-K211 HydrophobicContact CD1-CG 4.26Å; Y150-K211 HydrophobicContact CD2-CB 4.17Å; Y150-K211 HydrophobicContact CE1-CB 3.74Å; Y150-K211 HydrophobicContact CE1-CD 4.13Å; Y150-K211 HydrophobicContact CE1-CG 3.63Å; Y150-K211 HydrophobicContact CE2-CB 4.05Å; Y150-K211 HydrophobicContact CE2-CD 3.9Å; Y150-K211 HydrophobicContact CE2-CG 4.18Å; Y150-K211 HydrophobicContact CG-CB 4.08Å; Y150-K211 WeakPolarHBondContact OH-CD 3.22Å; Y150-K211 WeakPolarHBondContact OH-CE 3.33Å; Y150-K211 PolarHBondContact OH-NZ 2.75Å
151	F	98.2	Very high	94.4	Very high	27 Å²	27	62.8 Å²	62.8	12%	0.118	33%	0.33	C	S	.	.			trans	-154.5	133.3	-175.8	-175.9	-106.6	0	0	0	112.6	G153 H183 H185 Y188 E191 H210	F151-G153 VanDerWaalsContact CE1-CA 3.48Å; F151-G153 VanDerWaalsContact CE1-N 3.34Å; F151-H183 WeakPolarHBondContact CE1-O 3.35Å; F151-H183 WeakPolarHBondContact CZ-O 3.01Å; F151-H185 HydrophobicContact CD1-CB 3.69Å; F151-H185 HydrophobicContact CE1-CB 4.18Å; F151-H185 WeakPolarHBondContact O-CB 3.46Å; F151-Y188 PolarHBondContact N-O 3.07Å; F151-Y188 CarbonylContact O-C 3.54Å; F151-Y188 WeakPolarHBondContact O-CA 3.38Å; F151-E191 HydrophobicContact CD1-CB 3.85Å; F151-E191 HydrophobicContact CD1-CG 4.46Å; F151-E191 HydrophobicContact CE1-CB 3.49Å; F151-E191 VanDerWaalsContact CE1-CB 3.49Å; F151-E191 HydrophobicContact CE1-CG 3.61Å; F151-E191 HydrophobicContact CE2-CB 4.42Å; F151-E191 HydrophobicContact CE2-CG 4.42Å; F151-E191 HydrophobicContact CG-CB 4.46Å; F151-E191 HydrophobicContact CZ-CB 3.81Å; F151-E191 HydrophobicContact CZ-CG 3.58Å; F151-H210 HydrophobicContact CB-CB 4.08Å; F151-H210 AromaticContact CD2-CD2 3.63Å; F151-H210 AromaticContact CD2-CE1 3.67Å; F151-H210 AromaticContact CD2-NE2 3.32Å; F151-H210 VanDerWaalsContact CD2-NE2 3.32Å; F151-H210 WeakPolarHBondContact CD2-NE2 3.43Å; F151-H210 AromaticContact CE2-NE2 3.65Å; F151-H210 AromaticContact CG-CD2 3.51Å; F151-H210 AromaticContact CG-NE2 3.67Å
152	V	97.8	Very high	93.7	Very high	6 Å²	6	62.7 Å²	62.7	4%	0.036	33%	0.33	C	S	.	.			trans	-114.4	0.1	-175.5	-60.7	0	0	0	0	115	Y131 L135 I149 P154 K158 H185 Y188	Y131-V152 HydrophobicContact CD1-CG2 4.05Å; Y131-V152 HydrophobicContact CD2-CG1 4.22Å; Y131-V152 HydrophobicContact CD2-CG2 3.83Å; Y131-V152 HydrophobicContact CE1-CG2 4.43Å; Y131-V152 HydrophobicContact CE2-CG2 4.24Å; Y131-V152 HydrophobicContact CG-CG2 3.73Å; L135-V152 HydrophobicContact CD2-CB 4.03Å; L135-V152 HydrophobicContact CD2-CG1 4.4Å; I149-V152 HydrophobicContact CG2-CG1 3.69Å; V152-P154 HydrophobicContact CG2-CB 4.21Å; V152-P154 HydrophobicContact CG2-CG 4.46Å; V152-K158 WeakPolarHBondContact O-CE 3.28Å; V152-K158 PolarHBondContact O-NZ 3.39Å; V152-H185 PolarHBondContact O-CD2 2.81Å; V152-Y188 HydrophobicContact CG1-CD1 4.28Å
153	G	97.4	Very high	92.9	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.348	C	S	.	.			trans	60.8	49	-174.3	0	0	0	0	0	114.1	F151 N155 A156 H183	F151-G153 VanDerWaalsContact CE1-CA 3.48Å; F151-G153 VanDerWaalsContact CE1-N 3.34Å; G153-N155 VanDerWaalsContact C-N 3.26Å; G153-N155 PolarHBondContact O-N 2.98Å; G153-A156 VanDerWaalsContact O-CB 3.3Å; G153-A156 WeakPolarHBondContact O-CB 3.47Å; G153-A156 PolarHBondContact O-N 2.86Å; G153-A156 VanDerWaalsContact O-N 3.08Å; G153-H183 WeakPolarHBondContact CA-O 3.41Å
154	P	95.9	Very high	91.9	Very high	39 Å²	39	68.7 Å²	68.7	25%	0.253	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-30.1	-166.4	26.1	-35.7	0	0	0	114.4	Y131 V152	Y131-P154 HydrophobicContact CD1-CB 4.49Å; V152-P154 HydrophobicContact CG2-CB 4.21Å; V152-P154 HydrophobicContact CG2-CG 4.46Å
155	N	95.5	Very high	91.2	Very high	151 Å²	151	65.1 Å²	65.1	81%	0.807	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	3.2	-178.2	-59.6	-36.9	0	0	0	112.8	G153	G153-N155 VanDerWaalsContact C-N 3.26Å; G153-N155 PolarHBondContact O-N 2.98Å
156	A	96.3	Very high	90.7	Very high	16 Å²	16	68.2 Å²	68.2	13%	0.132	38%	0.382	C	S	.	.	S	Bend	trans	-74	142	-178	0	0	0	0	0	110.9	G153 K158 V181 D184	G153-A156 VanDerWaalsContact O-CB 3.3Å; G153-A156 WeakPolarHBondContact O-CB 3.47Å; G153-A156 PolarHBondContact O-N 2.86Å; G153-A156 VanDerWaalsContact O-N 3.08Å; A156-K158 HydrophobicContact CB-CG 4.2Å; A156-K158 PolarHBondContact O-N 3.05Å; A156-V181 HydrophobicContact CB-CG1 4.23Å; A156-D184 HydrophobicContact CB-CB 3.7Å
157	R	95.3	Very high	90.4	Very high	234 Å²	234	69.6 Å²	69.6	88%	0.883	39%	0.392	S	S	*	.			trans	-78.4	67.1	169.8	-66.4	-173.8	-178.5	-174.2	0.7	109.8	V181	R157-V181 VanDerWaalsContact O-CG1 3.31Å; R157-V181 WeakPolarHBondContact O-CG1 3.32Å
158	K	94.3	Very high	90.1	Very high	31 Å²	31	66.1 Å²	66.1	14%	0.135	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-51.1	141.9	-179	-67.6	174.1	174.8	-71.7	0	110.6	Q134 T136 E139 V152 A156 D184 H185	Q134-K158 WeakPolarHBondContact O-CD 3.44Å; Q134-K158 VanDerWaalsContact O-CE 3.25Å; Q134-K158 WeakPolarHBondContact O-CE 3.34Å; T136-K158 HydrophobicContact CG2-CB 3.92Å; T136-K158 HydrophobicContact CG2-CD 4.08Å; E139-K158 VanDerWaalsContact CD-NZ 3.32Å; E139-K158 IonicContact OE1-NZ 3.93Å; E139-K158 PolarHBondContact OE1-NZ 3.34Å; E139-K158 WeakPolarHBondContact OE2-CD 3.48Å; E139-K158 WeakPolarHBondContact OE2-CE 3.23Å; E139-K158 IonicContact OE2-NZ 2.72Å; E139-K158 PolarHBondContact OE2-NZ 3.09Å; V152-K158 WeakPolarHBondContact O-CE 3.28Å; V152-K158 PolarHBondContact O-NZ 3.39Å; A156-K158 HydrophobicContact CB-CG 4.2Å; A156-K158 PolarHBondContact O-N 3.05Å; K158-D184 IonicContact NZ-OD1 3.14Å; K158-D184 PolarHBondContact NZ-OD1 2.8Å; K158-H185 PolarHBondContact NZ-CD2 3.27Å; K158-H185 PolarHBondContact NZ-NE2 2.98Å
159	R	87.4	Confident	89.8	Confident	88 Å²	88	63.8 Å²	63.8	33%	0.332	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-66	141.9	179.2	-64.5	178.6	64.4	74.6	-2.6	109.4	V161 G170 V181	R159-V161 HydrophobicContact CB-CG2 4.27Å; R159-V161 WeakPolarHBondContact O-CG2 3.3Å; R159-V161 PolarHBondContact O-N 3.22Å; R159-G170 PolarHBondContact NE-O 2.85Å; R159-G170 PolarHBondContact NH2-O 3.19Å; R159-G170 VanDerWaalsContact NH2-O 3.16Å; R159-V181 HydrophobicContact CG-CG2 3.78Å
160	P	78.6	Confident	89.5	Confident	124 Å²	124	64.6 Å²	64.6	81%	0.805	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-68.6	126.6	161.2	29.8	-31.6	0	0	0	107.8
161	V	77.9	Confident	89.3	Confident	25 Å²	25	63.6 Å²	63.6	15%	0.152	36%	0.363	C	S	.	.			trans	-125.8	132.8	-171.4	-158.3	0	0	0	0	109.1	L138 R159 C169 Y171	L138-V161 HydrophobicContact CD1-CB 3.76Å; L138-V161 HydrophobicContact CD1-CG1 3.42Å; L138-V161 VanDerWaalsContact CD1-CG1 3.42Å; R159-V161 HydrophobicContact CB-CG2 4.27Å; R159-V161 WeakPolarHBondContact O-CG2 3.3Å; R159-V161 PolarHBondContact O-N 3.22Å; V161-C169 HydrophobicContact CG1-CB 3.55Å; V161-C169 WeakPolarHBondContact CG1-O 3.44Å; V161-Y171 HydrophobicContact CG1-CD2 4.07Å; V161-Y171 HydrophobicContact CG1-CE1 4.17Å; V161-Y171 HydrophobicContact CG1-CE2 3.69Å; V161-Y171 HydrophobicContact CG1-CG 4.46Å; V161-Y171 HydrophobicContact CG2-CD1 4.38Å; V161-Y171 HydrophobicContact CG2-CE1 3.66Å
162	V	79.9	Confident	89.2	Confident	98 Å²	98	62.8 Å²	62.8	59%	0.594	36%	0.36	S	S	*	.			trans	-105.3	115.1	-176.8	-178.7	0	0	0	0	108.8	G164 G165 C169	V162-G164 PolarHBondContact O-N 3.05Å; V162-G165 PolarHBondContact O-N 2.8Å; V162-C169 PolarHBondContact N-O 3.28Å; V162-C169 VanDerWaalsContact N-O 3.08Å; V162-C169 WeakPolarHBondContact O-CA 3.5Å; V162-C169 WeakPolarHBondContact O-CB 3.41Å
163	P	76.9	Confident	89	Confident	87 Å²	87	65 Å²	65	57%	0.565	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	126.2	178.8	-22.9	31.1	0	0	0	111.7	L138 G165	L138-P163 HydrophobicContact CD2-CB 4.01Å; L138-P163 HydrophobicContact CD2-CG 3.75Å; L138-P163 HydrophobicContact CG-CG 4.23Å; P163-G165 PolarHBondContact O-N 2.9Å
164	G	77.6	Confident	88.8	Confident	76 Å²	76	74 Å²	74	78%	0.784	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	5.4	-177	0	0	0	0	0	115.2	V162 C169	V162-G164 PolarHBondContact O-N 3.05Å; G164-C169 PolarHBondContact N-SG 2.75Å; G164-C169 VanDerWaalsContact N-SG 3.35Å
165	G	81	Confident	88.6	Confident	26 Å²	26	76.9 Å²	76.9	27%	0.268	42%	0.424	S	S	.	.			trans	-68.3	162.8	175.7	0	0	0	0	0	113.7	V162 P163 C169	V162-G165 PolarHBondContact O-N 2.8Å; P163-G165 PolarHBondContact O-N 2.9Å; G165-C169 WeakPolarHBondContact O-CA 3.23Å; G165-C169 PolarHBondContact O-N 3.06Å
166	N	87.4	Confident	88.5	Confident	140 Å²	140	70.2 Å²	70.2	75%	0.749	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	162.4	174.8	-66.3	-9.4	0	0	0	112	N168 C169 G170	N166-N168 PolarHBondContact O-N 2.85Å; N166-C169 CarbonylContact O-C 3.58Å; N166-C169 PolarHBondContact O-N 3.06Å; N166-G170 PolarHBondContact O-N 3.15Å; N166-G170 VanDerWaalsContact O-N 3.11Å
167	N	90.3	Very high	88.5	Confident	78 Å²	78	69.6 Å²	69.6	42%	0.417	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	54.5	177.2	-59.1	73.9	0	0	0	112.3	C169 G170 Y171 D172 D173	N167-C169 PolarHBondContact O-N 2.83Å; N167-G170 WeakPolarHBondContact O-CA 3.34Å; N167-G170 PolarHBondContact O-N 3.16Å; N167-Y171 PolarHBondContact O-N 3.27Å; N167-D172 HydrophobicContact CB-CB 4.41Å; N167-D172 WeakPolarHBondContact CB-O 3.25Å; N167-D172 PolarHBondContact O-N 3.02Å; N167-D173 PolarHBondContact ND2-O 2.99Å
168	N	92.1	Very high	88.5	Confident	26 Å²	26	58.9 Å²	58.9	14%	0.139	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	55.2	54.3	179.6	-169	26.2	0	0	0	111.5	N166 G170 Y171 D172 R262 N263	N166-N168 PolarHBondContact O-N 2.85Å; N168-G170 PolarHBondContact O-N 3.05Å; N168-Y171 WeakPolarHBondContact O-CB 3.44Å; N168-Y171 VanDerWaalsContact O-CD2 3.24Å; N168-Y171 WeakPolarHBondContact O-CD2 3.35Å; N168-Y171 PolarHBondContact O-N 3.16Å; N168-Y171 VanDerWaalsContact O-N 3.09Å; N168-D172 HydrophobicContact CB-CB 4.01Å; N168-D172 VanDerWaalsContact CB-OD1 3.23Å; N168-D172 WeakPolarHBondContact CB-OD1 3.37Å; N168-D172 VanDerWaalsContact CB-OD2 3.3Å; N168-D172 WeakPolarHBondContact CB-OD2 3.19Å; N168-D172 PolarHBondContact ND2-OD1 3.38Å; N168-R262 PolarHBondContact ND2-O 3.39Å; N168-N263 PolarHBondContact OD1-ND2 3.2Å
169	C	90.1	Very high	88.6	Confident	31 Å²	31	59.7 Å²	59.7	21%	0.209	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	62.8	1.8	-174.4	-52.6	0	0	0	0	115.7	L138 V161 V162 G164 G165 N166 N167	L138-C169 HydrophobicContact CD1-CB 4.22Å; V161-C169 HydrophobicContact CG1-CB 3.55Å; V161-C169 WeakPolarHBondContact CG1-O 3.44Å; V162-C169 PolarHBondContact N-O 3.28Å; V162-C169 VanDerWaalsContact N-O 3.08Å; V162-C169 WeakPolarHBondContact O-CA 3.5Å; V162-C169 WeakPolarHBondContact O-CB 3.41Å; G164-C169 PolarHBondContact N-SG 2.75Å; G164-C169 VanDerWaalsContact N-SG 3.35Å; G165-C169 WeakPolarHBondContact O-CA 3.23Å; G165-C169 PolarHBondContact O-N 3.06Å; N166-C169 CarbonylContact O-C 3.58Å; N166-C169 PolarHBondContact O-N 3.06Å; N167-C169 PolarHBondContact O-N 2.83Å
170	G	91.6	Very high	88.9	Confident	19 Å²	19	56.9 Å²	56.9	20%	0.196	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	109.4	5.7	-174.3	0	0	0	0	0	114.7	R159 N166 N167 N168	R159-G170 PolarHBondContact NE-O 2.85Å; R159-G170 PolarHBondContact NH2-O 3.19Å; R159-G170 VanDerWaalsContact NH2-O 3.16Å; N166-G170 PolarHBondContact O-N 3.15Å; N166-G170 VanDerWaalsContact O-N 3.11Å; N167-G170 WeakPolarHBondContact O-CA 3.34Å; N167-G170 PolarHBondContact O-N 3.16Å; N168-G170 PolarHBondContact O-N 3.05Å
171	Y	94.4	Very high	89.8	Confident	14 Å²	14	51.7 Å²	51.7	6%	0.055	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-26.5	172.9	-69.5	-58.2	0	0	0	113.6	L138 V161 N167 N168 Y178 I179 R262	L138-Y171 HydrophobicContact CD1-CE2 4.04Å; V161-Y171 HydrophobicContact CG1-CD2 4.07Å; V161-Y171 HydrophobicContact CG1-CE1 4.17Å; V161-Y171 HydrophobicContact CG1-CE2 3.69Å; V161-Y171 HydrophobicContact CG1-CG 4.46Å; V161-Y171 HydrophobicContact CG2-CD1 4.38Å; V161-Y171 HydrophobicContact CG2-CE1 3.66Å; N167-Y171 PolarHBondContact O-N 3.27Å; N168-Y171 WeakPolarHBondContact O-CB 3.44Å; N168-Y171 VanDerWaalsContact O-CD2 3.24Å; N168-Y171 WeakPolarHBondContact O-CD2 3.35Å; N168-Y171 PolarHBondContact O-N 3.16Å; N168-Y171 VanDerWaalsContact O-N 3.09Å; Y171-Y178 HydrophobicContact CD1-CE2 4.12Å; Y171-Y178 HydrophobicContact CG-CE2 4.22Å; Y171-I179 WeakPolarHBondContact O-CB 3.43Å; Y171-I179 WeakPolarHBondContact O-CG1 3.41Å; Y171-I179 PolarHBondContact O-N 3.43Å; Y171-R262 HydrophobicContact CD2-CB 4.31Å; Y171-R262 HydrophobicContact CD2-CG 4.24Å; Y171-R262 HydrophobicContact CE2-CG 4.11Å; Y171-R262 PolarHBondContact OH-NE 3.32Å
172	D	95.4	Very high	90.6	Very high	10 Å²	10	54.4 Å²	54.4	5%	0.053	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-102.4	153.3	-174	-62.3	11.5	0	0	0	111.5	N167 N168 G177 I179 N223 H264	N167-D172 HydrophobicContact CB-CB 4.41Å; N167-D172 WeakPolarHBondContact CB-O 3.25Å; N167-D172 PolarHBondContact O-N 3.02Å; N168-D172 HydrophobicContact CB-CB 4.01Å; N168-D172 VanDerWaalsContact CB-OD1 3.23Å; N168-D172 WeakPolarHBondContact CB-OD1 3.37Å; N168-D172 VanDerWaalsContact CB-OD2 3.3Å; N168-D172 WeakPolarHBondContact CB-OD2 3.19Å; N168-D172 PolarHBondContact ND2-OD1 3.38Å; D172-G177 CarbonylContact C-O 3.6Å; D172-G177 WeakPolarHBondContact CA-O 3.4Å; D172-I179 WeakPolarHBondContact O-CD1 3.35Å; D172-N223 WeakPolarHBondContact OD2-CB 3.32Å; D172-N223 PolarHBondContact OD2-ND2 3.35Å; D172-H264 IonicContact OD1-CE1 3.85Å; D172-H264 IonicContact OD1-NE2 3.62Å; D172-H264 PolarHBondContact OD1-NE2 2.96Å; D172-H264 IonicContact OD2-CE1 2.98Å; D172-H264 IonicContact OD2-NE2 3.62Å
173	D	93.6	Very high	91.5	Very high	52 Å²	52	54.3 Å²	54.3	28%	0.278	32%	0.319	S	S	.	.			trans	-77.5	-178.9	164.3	66.2	32.4	0	0	0	111.9	N167 Q175 G176 G177 I179	N167-D173 PolarHBondContact ND2-O 2.99Å; D173-Q175 PolarHBondContact O-N 3.21Å; D173-Q175 VanDerWaalsContact O-N 3.16Å; D173-Q175 VanDerWaalsContact OD1-C 3.27Å; D173-Q175 VanDerWaalsContact OD1-CA 3.28Å; D173-Q175 WeakPolarHBondContact OD1-CA 3.36Å; D173-Q175 WeakPolarHBondContact OD1-CB 3.1Å; D173-Q175 PolarHBondContact OD1-N 2.94Å; D173-G176 PolarHBondContact O-N 3Å; D173-G176 PolarHBondContact OD1-N 3.46Å; D173-G176 VanDerWaalsContact OD1-N 3.17Å; D173-G177 PolarHBondContact N-O 3.47Å; D173-G177 PolarHBondContact OD1-N 3.36Å; D173-I179 HydrophobicContact CB-CD1 4.39Å; D173-I179 HydrophobicContact CB-CG1 4.19Å
174	E	92.9	Very high	92.5	Very high	188 Å²	188	50.5 Å²	50.5	88%	0.879	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.8	178.1	-64.3	179.1	176.2	0	0	113.7
175	Q	91.8	Very high	93.5	Very high	100 Å²	100	46.9 Å²	46.9	47%	0.467	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	15.3	-179.1	-50.4	-176	12.6	0	0	112.6	D173 G177 R222	D173-Q175 PolarHBondContact O-N 3.21Å; D173-Q175 VanDerWaalsContact O-N 3.16Å; D173-Q175 VanDerWaalsContact OD1-C 3.27Å; D173-Q175 VanDerWaalsContact OD1-CA 3.28Å; D173-Q175 WeakPolarHBondContact OD1-CA 3.36Å; D173-Q175 WeakPolarHBondContact OD1-CB 3.1Å; D173-Q175 PolarHBondContact OD1-N 2.94Å; Q175-G177 VanDerWaalsContact C-N 3.26Å; Q175-G177 PolarHBondContact O-N 3.04Å; Q175-R222 PolarHBondContact O-NH1 2.79Å
176	G	93.9	Very high	94.3	Very high	12 Å²	12	45.8 Å²	45.8	12%	0.124	24%	0.244	C	C	.	.	S	Bend	trans	68.4	21.2	-179.1	0	0	0	0	0	114	D173 R222 N223 H264	D173-G176 PolarHBondContact O-N 3Å; D173-G176 PolarHBondContact OD1-N 3.46Å; D173-G176 VanDerWaalsContact OD1-N 3.17Å; G176-R222 CarbonylContact O-C 3.56Å; G176-R222 VanDerWaalsContact O-CA 3.32Å; G176-R222 WeakPolarHBondContact O-CA 3.33Å; G176-N223 PolarHBondContact O-N 3.44Å; G176-H264 PolarHBondContact O-CE1 2.94Å
177	G	95.4	Very high	94.8	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.031	21%	0.213	C	C	.	.			trans	-88.8	132.7	171.7	0	0	0	0	0	111.7	D172 D173 Q175 I179	D172-G177 CarbonylContact C-O 3.6Å; D172-G177 WeakPolarHBondContact CA-O 3.4Å; D173-G177 PolarHBondContact N-O 3.47Å; D173-G177 PolarHBondContact OD1-N 3.36Å; Q175-G177 VanDerWaalsContact C-N 3.26Å; Q175-G177 PolarHBondContact O-N 3.04Å; G177-I179 PolarHBondContact O-N 3.29Å
178	Y	96.3	Very high	95.2	Very high	9 Å²	9	36 Å²	36	4%	0.035	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-62.3	132.3	177.4	-170.7	-98.2	0	0	0	111.9	Y171 H180 L186 Q203 M220 R262 H264	Y171-Y178 HydrophobicContact CD1-CE2 4.12Å; Y171-Y178 HydrophobicContact CG-CE2 4.22Å; Y178-H180 PolarHBondContact O-CD2 2.92Å; Y178-H180 PolarHBondContact O-N 2.82Å; Y178-L186 HydrophobicContact CE1-CD2 3.97Å; Y178-Q203 PolarHBondContact O-NE2 2.96Å; Y178-M220 HydrophobicContact CD1-CE 3.24Å; Y178-M220 HydrophobicContact CD1-SD 4.03Å; Y178-M220 HydrophobicContact CD2-CE 4.49Å; Y178-M220 HydrophobicContact CD2-SD 4.24Å; Y178-M220 HydrophobicContact CE1-CE 3.93Å; Y178-M220 HydrophobicContact CG-CE 3.57Å; Y178-M220 HydrophobicContact CG-SD 3.77Å; Y178-R262 HydrophobicContact CE2-CB 4.19Å; Y178-R262 PolarHBondContact OH-NH1 2.9Å; Y178-H264 AromaticContact CD2-CD2 3.56Å; Y178-H264 AromaticContact CD2-NE2 3.54Å
179	I	95.3	Very high	95.4	Very high	48 Å²	48	35.9 Å²	35.9	25%	0.246	19%	0.191	C	C	.	.			trans	-86.8	93.9	177.7	-55.6	171.6	0	0	0	109.4	Y171 D172 D173 G177	Y171-I179 WeakPolarHBondContact O-CB 3.43Å; Y171-I179 WeakPolarHBondContact O-CG1 3.41Å; Y171-I179 PolarHBondContact O-N 3.43Å; D172-I179 WeakPolarHBondContact O-CD1 3.35Å; D173-I179 HydrophobicContact CB-CD1 4.39Å; D173-I179 HydrophobicContact CB-CG1 4.19Å; G177-I179 PolarHBondContact O-N 3.29Å
180	H	94.7	Very high	95.9	Very high	28 Å²	28	34.5 Å²	34.5	13%	0.13	18%	0.182	C	C	.	.			trans	-62.7	138.5	177.3	-67.9	-98	0	0	0	113.3	Y178 F192 I195 M220	Y178-H180 PolarHBondContact O-CD2 2.92Å; Y178-H180 PolarHBondContact O-N 2.82Å; H180-F192 HydrophobicContact CB-CD1 4.25Å; H180-F192 HydrophobicContact CB-CD2 4.2Å; H180-F192 HydrophobicContact CB-CE1 3.85Å; H180-F192 HydrophobicContact CB-CE2 3.79Å; H180-F192 HydrophobicContact CB-CG 4.4Å; H180-F192 HydrophobicContact CB-CZ 3.6Å; H180-F192 AromaticContact CE1-CD2 3.9Å; H180-F192 AromaticContact CE1-CE2 3.87Å; H180-F192 AromaticContact CG-CD2 3.97Å; H180-F192 AromaticContact CG-CE2 3.64Å; H180-F192 AromaticContact CG-CZ 3.97Å; H180-F192 AromaticContact ND1-CD2 3.15Å; H180-F192 WeakPolarHBondContact ND1-CD2 3.37Å; H180-F192 AromaticContact ND1-CE2 3.19Å; H180-F192 WeakPolarHBondContact ND1-CE2 3.45Å; H180-F192 AromaticContact ND1-CG 3.88Å; H180-F192 AromaticContact ND1-CZ 3.95Å; H180-I195 HydrophobicContact CB-CD1 4.47Å; H180-M220 WeakPolarHBondContact CE1-CE 3.47Å
181	V	96.2	Very high	96.2	Very high	16 Å²	16	35.1 Å²	35.1	10%	0.097	18%	0.179	C	C	.	.			trans	-114.9	123.8	172.6	174.8	0	0	0	0	108.9	A156 R157 R159 H183 D184 F192	A156-V181 HydrophobicContact CB-CG1 4.23Å; R157-V181 VanDerWaalsContact O-CG1 3.31Å; R157-V181 WeakPolarHBondContact O-CG1 3.32Å; R159-V181 HydrophobicContact CG-CG2 3.78Å; V181-H183 PolarHBondContact O-N 2.93Å; V181-D184 HydrophobicContact CB-CB 3.79Å; V181-D184 HydrophobicContact CG1-CB 4.01Å; V181-D184 WeakPolarHBondContact O-CB 3.35Å; V181-D184 PolarHBondContact O-N 2.92Å; V181-D184 VanDerWaalsContact O-N 3.14Å; V181-F192 WeakPolarHBondContact O-CD1 3.4Å
182	P	96.3	Very high	96.4	Very high	81 Å²	81	35 Å²	35	53%	0.526	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	130.9	174.5	-29.6	36.9	0	0	0	113.1	D184	P182-D184 PolarHBondContact O-N 2.91Å
183	H	97.8	Very high	96.5	Very high	96 Å²	96	36.7 Å²	36.7	44%	0.444	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	10	-179.4	-52.7	-76.1	0	0	0	116.3	F151 G153 V181 E191 F192	F151-H183 WeakPolarHBondContact CE1-O 3.35Å; F151-H183 WeakPolarHBondContact CZ-O 3.01Å; G153-H183 WeakPolarHBondContact CA-O 3.41Å; V181-H183 PolarHBondContact O-N 2.93Å; H183-E191 IonicContact CE1-OE1 2.72Å; H183-E191 IonicContact CG-OE1 3.52Å; H183-E191 IonicContact ND1-OE1 3.53Å; H183-E191 PolarHBondContact ND1-OE1 3.31Å; H183-F192 WeakPolarHBondContact CA-O 3.39Å; H183-F192 PolarHBondContact N-O 3.17Å
184	D	98.1	Very high	96.7	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.043	20%	0.2	C	C	.	.			trans	-78.4	162.8	171.4	-159.1	9.7	0	0	0	111.7	A156 K158 V181 P182 F192	A156-D184 HydrophobicContact CB-CB 3.7Å; K158-D184 IonicContact NZ-OD1 3.14Å; K158-D184 PolarHBondContact NZ-OD1 2.8Å; V181-D184 HydrophobicContact CB-CB 3.79Å; V181-D184 HydrophobicContact CG1-CB 4.01Å; V181-D184 WeakPolarHBondContact O-CB 3.35Å; V181-D184 PolarHBondContact O-N 2.92Å; V181-D184 VanDerWaalsContact O-N 3.14Å; P182-D184 PolarHBondContact O-N 2.91Å; D184-F192 PolarHBondContact O-N 3.45Å
185	H	98.1	Very high	96.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	155.1	178.6	73.5	89	0	0	0	113	E139 F151 V152 K158 Y188 Y190	E139-H185 IonicContact OE1-CD2 2.91Å; E139-H185 IonicContact OE1-CE1 2.93Å; E139-H185 IonicContact OE1-NE2 3.34Å; E139-H185 PolarHBondContact OE1-NE2 2.9Å; E139-H185 VanDerWaalsContact OE1-NE2 3.09Å; F151-H185 HydrophobicContact CD1-CB 3.69Å; F151-H185 HydrophobicContact CE1-CB 4.18Å; F151-H185 WeakPolarHBondContact O-CB 3.46Å; V152-H185 PolarHBondContact O-CD2 2.81Å; K158-H185 PolarHBondContact NZ-CD2 3.27Å; K158-H185 PolarHBondContact NZ-NE2 2.98Å; H185-Y188 AromaticContact CE1-CD1 3.57Å; H185-Y188 AromaticContact CE1-CE1 3.28Å; H185-Y188 WeakPolarHBondContact CE1-CE1 3.29Å; H185-Y188 AromaticContact CE1-CE2 3.78Å; H185-Y188 AromaticContact CE1-CG 3.96Å; H185-Y188 AromaticContact CE1-CZ 3.41Å; H185-Y188 VanDerWaalsContact CE1-CZ 3.41Å; H185-Y188 AromaticContact ND1-CD1 3.75Å; H185-Y188 AromaticContact ND1-CE1 3.95Å; H185-Y188 AromaticContact ND1-CG 3.9Å; H185-Y188 PolarHBondContact ND1-N 3.1Å; H185-Y188 AromaticContact NE2-CD1 3.91Å; H185-Y188 AromaticContact NE2-CE1 3.44Å; H185-Y188 WeakPolarHBondContact NE2-CE1 3.35Å; H185-Y188 AromaticContact NE2-CZ 3.87Å; H185-Y190 CarbonylContact C-O 3.58Å; H185-Y190 WeakPolarHBondContact CA-O 3.48Å
186	L	98.1	Very high	97	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.3	161.5	-54.3	170.6	0	0	0	107.5	Y178 Y188 R189 Y190 V207 L218 M220 F261	Y178-L186 HydrophobicContact CE1-CD2 3.97Å; L186-Y188 PolarHBondContact O-N 3.44Å; L186-Y188 VanDerWaalsContact O-N 3.1Å; L186-R189 PolarHBondContact O-N 2.97Å; L186-R189 VanDerWaalsContact O-N 3.14Å; L186-Y190 PolarHBondContact N-O 2.88Å; L186-Y190 PolarHBondContact O-N 2.78Å; L186-Y190 VanDerWaalsContact O-N 3.07Å; L186-V207 HydrophobicContact CD1-CG1 4.36Å; L186-L218 HydrophobicContact CB-CD1 4.46Å; L186-L218 HydrophobicContact CD1-CD1 3.75Å; L186-L218 HydrophobicContact CD1-CD2 3.93Å; L186-L218 HydrophobicContact CD1-CG 4.46Å; L186-M220 HydrophobicContact CD1-CE 4.22Å; L186-M220 HydrophobicContact CD2-CE 3.93Å; L186-F261 HydrophobicContact CB-CD1 4.31Å; L186-F261 HydrophobicContact CB-CE1 4.28Å; L186-F261 HydrophobicContact CD2-CD1 3.91Å; L186-F261 HydrophobicContact CD2-CE1 3.61Å
187	A	98	Very high	96.9	Very high	11 Å²	11	33.2 Å²	33.2	9%	0.091	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	38.8	-179.1	0	0	0	0	0	114.6	Y146 R189 F259 F261	Y146-A187 HydrophobicContact CD1-CB 4.44Å; Y146-A187 HydrophobicContact CE1-CB 3.75Å; A187-R189 PolarHBondContact O-N 3.41Å; A187-F259 HydrophobicContact CB-CD2 3.87Å; A187-F259 HydrophobicContact CB-CE2 3.48Å; A187-F259 VanDerWaalsContact CB-CE2 3.48Å; A187-F259 HydrophobicContact CB-CZ 4.08Å; A187-F261 HydrophobicContact CB-CB 4.47Å; A187-F261 HydrophobicContact CB-CD2 4.16Å; A187-F261 HydrophobicContact CB-CG 4.45Å; A187-F261 VanDerWaalsContact N-CD2 3.33Å; A187-F261 VanDerWaalsContact N-CE2 3.32Å
188	Y	98.4	Very high	96.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	24.4	-177.4	-60.6	-84.3	0	0	0	116.5	L135 E139 E142 I143 Y146 I149 Y150 F151 V152 H185 L186	L135-Y188 HydrophobicContact CD2-CE1 4.35Å; E139-Y188 WeakPolarHBondContact CA-OH 3.32Å; E139-Y188 WeakPolarHBondContact CB-OH 3.18Å; E139-Y188 PolarHBondContact O-OH 3.01Å; E142-Y188 HydrophobicContact CG-CE2 4.17Å; E142-Y188 PolarHBondContact OE2-OH 2.81Å; I143-Y188 HydrophobicContact CB-CE1 4.03Å; I143-Y188 HydrophobicContact CB-CE2 4.09Å; I143-Y188 HydrophobicContact CD1-CD1 4.12Å; I143-Y188 HydrophobicContact CD1-CE1 3.79Å; I143-Y188 HydrophobicContact CG1-CD1 4.06Å; I143-Y188 HydrophobicContact CG1-CD2 4.47Å; I143-Y188 HydrophobicContact CG1-CE1 3.74Å; I143-Y188 HydrophobicContact CG1-CE2 4.19Å; I143-Y188 HydrophobicContact CG1-CG 4.4Å; I143-Y188 PolarHBondContact N-OH 3.22Å; Y146-Y188 HydrophobicContact CD1-CD2 4.28Å; Y146-Y188 AromaticContact CD2-CD2 3.41Å; Y146-Y188 HydrophobicContact CD2-CD2 3.41Å; Y146-Y188 VanDerWaalsContact CD2-CD2 3.41Å; Y146-Y188 AromaticContact CD2-CE2 3.54Å; Y146-Y188 HydrophobicContact CD2-CE2 3.54Å; Y146-Y188 AromaticContact CE2-CD2 4Å; Y146-Y188 HydrophobicContact CE2-CD2 4Å; Y146-Y188 AromaticContact CE2-CE2 3.97Å; Y146-Y188 HydrophobicContact CE2-CE2 3.97Å; Y146-Y188 AromaticContact CG-CD2 3.58Å; Y146-Y188 HydrophobicContact CG-CD2 3.58Å; Y146-Y188 HydrophobicContact CG-CE2 4.2Å; I149-Y188 HydrophobicContact CD1-CD1 4.16Å; I149-Y188 HydrophobicContact CD1-CD2 4.21Å; I149-Y188 HydrophobicContact CD1-CG 3.73Å; I149-Y188 HydrophobicContact CG2-CD1 4.49Å; Y150-Y188 PolarHBondContact N-O 3Å; F151-Y188 PolarHBondContact N-O 3.07Å; F151-Y188 CarbonylContact O-C 3.54Å; F151-Y188 WeakPolarHBondContact O-CA 3.38Å; V152-Y188 HydrophobicContact CG1-CD1 4.28Å; H185-Y188 AromaticContact CE1-CD1 3.57Å; H185-Y188 AromaticContact CE1-CE1 3.28Å; H185-Y188 WeakPolarHBondContact CE1-CE1 3.29Å; H185-Y188 AromaticContact CE1-CE2 3.78Å; H185-Y188 AromaticContact CE1-CG 3.96Å; H185-Y188 AromaticContact CE1-CZ 3.41Å; H185-Y188 VanDerWaalsContact CE1-CZ 3.41Å; H185-Y188 AromaticContact ND1-CD1 3.75Å; H185-Y188 AromaticContact ND1-CE1 3.95Å; H185-Y188 AromaticContact ND1-CG 3.9Å; H185-Y188 PolarHBondContact ND1-N 3.1Å; H185-Y188 AromaticContact NE2-CD1 3.91Å; H185-Y188 AromaticContact NE2-CE1 3.44Å; H185-Y188 WeakPolarHBondContact NE2-CE1 3.35Å; H185-Y188 AromaticContact NE2-CZ 3.87Å; L186-Y188 PolarHBondContact O-N 3.44Å; L186-Y188 VanDerWaalsContact O-N 3.1Å
189	R	98.3	Very high	96.2	Very high	24 Å²	24	41.8 Å²	41.8	9%	0.091	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	-41.5	-174.6	176.1	175.1	166.9	-174.3	-5.3	113.8	Y150 L186 A187 D209 H210 K211 E257	Y150-R189 HydrophobicContact CD2-CB 3.97Å; Y150-R189 HydrophobicContact CD2-CG 3.97Å; L186-R189 PolarHBondContact O-N 2.97Å; L186-R189 VanDerWaalsContact O-N 3.14Å; A187-R189 PolarHBondContact O-N 3.41Å; R189-D209 WeakPolarHBondContact CG-OD1 3.24Å; R189-D209 IonicContact CZ-OD1 3.91Å; R189-D209 IonicContact CZ-OD2 2.86Å; R189-D209 IonicContact NE-OD1 3.18Å; R189-D209 PolarHBondContact NE-OD1 3.27Å; R189-D209 IonicContact NE-OD2 2.8Å; R189-D209 PolarHBondContact NE-OD2 3.14Å; R189-D209 IonicContact NH2-OD1 3.94Å; R189-D209 IonicContact NH2-OD2 3.09Å; R189-D209 PolarHBondContact NH2-OD2 2.82Å; R189-H210 PolarHBondContact O-N 2.86Å; R189-K211 HydrophobicContact CG-CB 4.13Å; R189-E257 IonicContact CZ-OE1 3.2Å; R189-E257 IonicContact NH1-OE1 2.75Å; R189-E257 PolarHBondContact NH1-OE1 2.79Å; R189-E257 IonicContact NH2-OE1 2.83Å; R189-E257 PolarHBondContact NH2-OE1 3.41Å
190	Y	98.6	Very high	95.6	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.4	-173.4	-49.7	-82.6	0	0	0	110.3	H185 L186 V207 Y208 D209 L216 L218 F259 T268	H185-Y190 CarbonylContact C-O 3.58Å; H185-Y190 WeakPolarHBondContact CA-O 3.48Å; L186-Y190 PolarHBondContact N-O 2.88Å; L186-Y190 PolarHBondContact O-N 2.78Å; L186-Y190 VanDerWaalsContact O-N 3.07Å; Y190-V207 HydrophobicContact CD1-CG2 4.15Å; Y190-V207 HydrophobicContact CG-CG2 4.49Å; Y190-Y208 CarbonylContact C-O 3.45Å; Y190-Y208 WeakPolarHBondContact CA-O 3.42Å; Y190-D209 HydrophobicContact CD1-CB 3.84Å; Y190-D209 HydrophobicContact CE1-CB 3.91Å; Y190-L216 HydrophobicContact CE1-CD1 4.05Å; Y190-L218 HydrophobicContact CD2-CD1 4.08Å; Y190-L218 HydrophobicContact CG-CD1 4.08Å; Y190-F259 HydrophobicContact CD2-CE1 4.18Å; Y190-F259 AromaticContact CD2-CZ 3.81Å; Y190-F259 HydrophobicContact CD2-CZ 3.81Å; Y190-F259 HydrophobicContact CE2-CD1 4.43Å; Y190-F259 AromaticContact CE2-CE1 3.4Å; Y190-F259 HydrophobicContact CE2-CE1 3.4Å; Y190-F259 AromaticContact CE2-CZ 3.47Å; Y190-F259 HydrophobicContact CE2-CZ 3.47Å; Y190-F259 VanDerWaalsContact CE2-CZ 3.47Å; Y190-T268 HydrophobicContact CD1-CG2 4.45Å; Y190-T268 HydrophobicContact CE1-CG2 3.87Å; Y190-T268 HydrophobicContact CE2-CG2 4.36Å
191	E	98.6	Very high	95.1	Very high	32 Å²	32	41.1 Å²	41.1	15%	0.15	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	125	169.4	179	-179.4	164.4	0	0	109.8	F151 H183 L193 V207 Y208 H210	F151-E191 HydrophobicContact CD1-CB 3.85Å; F151-E191 HydrophobicContact CD1-CG 4.46Å; F151-E191 HydrophobicContact CE1-CB 3.49Å; F151-E191 VanDerWaalsContact CE1-CB 3.49Å; F151-E191 HydrophobicContact CE1-CG 3.61Å; F151-E191 HydrophobicContact CE2-CB 4.42Å; F151-E191 HydrophobicContact CE2-CG 4.42Å; F151-E191 HydrophobicContact CG-CB 4.46Å; F151-E191 HydrophobicContact CZ-CB 3.81Å; F151-E191 HydrophobicContact CZ-CG 3.58Å; H183-E191 IonicContact CE1-OE1 2.72Å; H183-E191 IonicContact CG-OE1 3.52Å; H183-E191 IonicContact ND1-OE1 3.53Å; H183-E191 PolarHBondContact ND1-OE1 3.31Å; E191-L193 HydrophobicContact CG-CD2 4.03Å; E191-L193 PolarHBondContact O-N 3.26Å; E191-V207 CarbonylContact O-C 3.54Å; E191-V207 WeakPolarHBondContact O-CA 3.33Å; E191-V207 VanDerWaalsContact O-CB 3.27Å; E191-V207 WeakPolarHBondContact O-CB 3.38Å; E191-Y208 PolarHBondContact N-O 2.88Å; E191-Y208 PolarHBondContact O-N 3.03Å; E191-H210 IonicContact OE2-CE1 2.75Å; E191-H210 IonicContact OE2-NE2 3.27Å; E191-H210 PolarHBondContact OE2-NE2 3.24Å
192	F	98.3	Very high	94.9	Very high	12 Å²	12	40.8 Å²	40.8	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	122.1	173.5	171.1	-94.3	0	0	0	111.3	H180 V181 H183 D184 I195 A205	H180-F192 HydrophobicContact CB-CD1 4.25Å; H180-F192 HydrophobicContact CB-CD2 4.2Å; H180-F192 HydrophobicContact CB-CE1 3.85Å; H180-F192 HydrophobicContact CB-CE2 3.79Å; H180-F192 HydrophobicContact CB-CG 4.4Å; H180-F192 HydrophobicContact CB-CZ 3.6Å; H180-F192 AromaticContact CE1-CD2 3.9Å; H180-F192 AromaticContact CE1-CE2 3.87Å; H180-F192 AromaticContact CG-CD2 3.97Å; H180-F192 AromaticContact CG-CE2 3.64Å; H180-F192 AromaticContact CG-CZ 3.97Å; H180-F192 AromaticContact ND1-CD2 3.15Å; H180-F192 WeakPolarHBondContact ND1-CD2 3.37Å; H180-F192 AromaticContact ND1-CE2 3.19Å; H180-F192 WeakPolarHBondContact ND1-CE2 3.45Å; H180-F192 AromaticContact ND1-CG 3.88Å; H180-F192 AromaticContact ND1-CZ 3.95Å; V181-F192 WeakPolarHBondContact O-CD1 3.4Å; H183-F192 WeakPolarHBondContact CA-O 3.39Å; H183-F192 PolarHBondContact N-O 3.17Å; D184-F192 PolarHBondContact O-N 3.45Å; F192-I195 HydrophobicContact CE2-CD1 3.68Å; F192-I195 HydrophobicContact CE2-CG1 4.28Å; F192-I195 HydrophobicContact CZ-CD1 3.94Å; F192-I195 HydrophobicContact CZ-CG1 4.09Å; F192-A205 HydrophobicContact CD2-CB 3.6Å; F192-A205 HydrophobicContact CE2-CB 3.56Å
193	L	98	Very high	94.8	Very high	44 Å²	44	38.1 Å²	38.1	23%	0.23	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-57.2	178.9	-56.9	177	0	0	0	112.3	E191 K206	E191-L193 HydrophobicContact CG-CD2 4.03Å; E191-L193 PolarHBondContact O-N 3.26Å; L193-K206 WeakPolarHBondContact CB-O 3.34Å; L193-K206 HydrophobicContact CD1-CD 4.45Å; L193-K206 HydrophobicContact CD1-CG 4.42Å; L193-K206 PolarHBondContact N-O 3.08Å; L193-K206 VanDerWaalsContact N-O 3.15Å
194	K	97.3	Very high	94.8	Very high	124 Å²	124	35.6 Å²	35.6	54%	0.539	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	157.9	179.6	65.9	173.4	-176.1	174.6	0	112.8	I196 A205 K206	K194-I196 HydrophobicContact CG-CG2 4.25Å; K194-A205 CarbonylContact O-C 3.45Å; K194-A205 VanDerWaalsContact O-CA 3.3Å; K194-A205 WeakPolarHBondContact O-CA 3.4Å; K194-K206 HydrophobicContact CG-CB 4.11Å; K194-K206 PolarHBondContact N-O 3.35Å; K194-K206 PolarHBondContact O-N 2.86Å
195	I	96.7	Very high	94.8	Very high	49 Å²	49	35.2 Å²	35.2	25%	0.251	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	138.9	166.5	-55.1	-62.9	0	0	0	110.1	H180 F192 G197 K198 Q203 A205	H180-I195 HydrophobicContact CB-CD1 4.47Å; F192-I195 HydrophobicContact CE2-CD1 3.68Å; F192-I195 HydrophobicContact CE2-CG1 4.28Å; F192-I195 HydrophobicContact CZ-CD1 3.94Å; F192-I195 HydrophobicContact CZ-CG1 4.09Å; I195-G197 VanDerWaalsContact CG2-O 3.29Å; I195-G197 WeakPolarHBondContact CG2-O 3.28Å; I195-K198 HydrophobicContact CG2-CD 4.34Å; I195-K198 HydrophobicContact CG2-CG 3.63Å; I195-Q203 HydrophobicContact CD1-CB 4.19Å; I195-Q203 VanDerWaalsContact CD1-OE1 3.29Å; I195-A205 HydrophobicContact CD1-CB 4.46Å
196	I	95	Very high	94.8	Very high	79 Å²	79	37.7 Å²	37.7	41%	0.405	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-10.8	173.9	60.5	174.9	0	0	0	113	K194 V204 K206 A217 L271	K194-I196 HydrophobicContact CG-CG2 4.25Å; I196-V204 HydrophobicContact CD1-CG1 4.01Å; I196-V204 HydrophobicContact CG1-CB 4.25Å; I196-V204 HydrophobicContact CG1-CG1 3.87Å; I196-V204 WeakPolarHBondContact CG1-O 3.3Å; I196-V204 PolarHBondContact N-O 3.21Å; I196-K206 HydrophobicContact CD1-CB 4.43Å; I196-K206 HydrophobicContact CG2-CB 3.75Å; I196-A217 HydrophobicContact CD1-CB 3.98Å; I196-L271 HydrophobicContact CD1-CD1 3.93Å
197	G	92.1	Very high	94.8	Very high	28 Å²	28	37.6 Å²	37.6	29%	0.289	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	151	169.8	0	0	0	0	0	112.1	I195 V204	I195-G197 VanDerWaalsContact CG2-O 3.29Å; I195-G197 WeakPolarHBondContact CG2-O 3.28Å; G197-V204 PolarHBondContact N-O 2.82Å; G197-V204 VanDerWaalsContact N-O 3.07Å; G197-V204 PolarHBondContact O-N 3.24Å
198	K	89.9	Confident	94.8	Very high	156 Å²	156	39.3 Å²	39.3	68%	0.678	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.6	171.4	-60.6	-165.8	-179.8	-168.3	0	109.4	I195 Q203	I195-K198 HydrophobicContact CG2-CD 4.34Å; I195-K198 HydrophobicContact CG2-CG 3.63Å; K198-Q203 HydrophobicContact CD-CG 4.46Å; K198-Q203 VanDerWaalsContact CE-OE1 3.22Å; K198-Q203 HydrophobicContact CG-CG 4.18Å
199	G	86	Confident	94.8	Very high	35 Å²	35	39.3 Å²	39.3	36%	0.361	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	-172.4	175.4	0	0	0	0	0	112.3	F201 G202	G199-F201 VanDerWaalsContact C-N 3.26Å; G199-F201 PolarHBondContact O-N 2.86Å; G199-G202 PolarHBondContact N-O 3.47Å; G199-G202 PolarHBondContact O-N 3.36Å; G199-G202 VanDerWaalsContact O-O 3.11Å
200	S	84.3	Confident	94.8	Very high	34 Å²	34	39.7 Å²	39.7	24%	0.238	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.4	175.5	49.1	0	0	0	0	112.6	G202 R222 F227	S200-G202 VanDerWaalsContact C-N 3.27Å; S200-G202 PolarHBondContact O-N 2.83Å; S200-R222 WeakPolarHBondContact O-CD 3.35Å; S200-R222 PolarHBondContact O-NE 3.43Å; S200-R222 VanDerWaalsContact O-NE 3.11Å; S200-F227 WeakPolarHBondContact O-CE2 3.15Å; S200-F227 WeakPolarHBondContact O-CZ 3.42Å
201	F	83.9	Confident	94.7	Very high	28 Å²	28	43.7 Å²	43.7	12%	0.123	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.9	-179.5	-56.2	-87	0	0	0	114.4	G199 V221 R222 F227 S339	G199-F201 VanDerWaalsContact C-N 3.26Å; G199-F201 PolarHBondContact O-N 2.86Å; F201-V221 WeakPolarHBondContact O-CA 3.35Å; F201-R222 PolarHBondContact O-N 3.35Å; F201-F227 HydrophobicContact CB-CD1 4.46Å; F201-F227 AromaticContact CD1-CD1 3.78Å; F201-F227 HydrophobicContact CD1-CD1 3.78Å; F201-F227 AromaticContact CD1-CE1 3.94Å; F201-F227 HydrophobicContact CD1-CE1 3.94Å; F201-F227 HydrophobicContact CE1-CD1 4.45Å; F201-F227 HydrophobicContact CE1-CE1 4.38Å; F201-F227 HydrophobicContact CG-CD1 4.41Å; F201-F227 HydrophobicContact CG-CE1 4.39Å; F201-S339 WeakPolarHBondContact CZ-OG 3.47Å
202	G	91.4	Very high	94.6	Very high	10 Å²	10	46.3 Å²	46.3	10%	0.103	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	137.8	-146.3	-173.2	0	0	0	0	0	113	G199 S200 M220	G199-G202 PolarHBondContact N-O 3.47Å; G199-G202 PolarHBondContact O-N 3.36Å; G199-G202 VanDerWaalsContact O-O 3.11Å; S200-G202 VanDerWaalsContact C-N 3.27Å; S200-G202 PolarHBondContact O-N 2.83Å; G202-M220 WeakPolarHBondContact CA-O 3.31Å
203	Q	94.7	Very high	94.6	Very high	25 Å²	25	50.4 Å²	50.4	12%	0.117	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.1	-175.6	-52.2	-170	40	0	0	110.7	Y178 I195 K198 M220	Y178-Q203 PolarHBondContact O-NE2 2.96Å; I195-Q203 HydrophobicContact CD1-CB 4.19Å; I195-Q203 VanDerWaalsContact CD1-OE1 3.29Å; K198-Q203 HydrophobicContact CD-CG 4.46Å; K198-Q203 VanDerWaalsContact CE-OE1 3.22Å; K198-Q203 HydrophobicContact CG-CG 4.18Å; Q203-M220 PolarHBondContact N-O 3.31Å; Q203-M220 PolarHBondContact O-N 2.87Å
204	V	97.1	Very high	94.6	Very high	43 Å²	43	52.4 Å²	52.4	26%	0.261	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.9	172.3	-172.4	0	0	0	0	108.2	I196 G197 A217 L218 K219	I196-V204 HydrophobicContact CD1-CG1 4.01Å; I196-V204 HydrophobicContact CG1-CB 4.25Å; I196-V204 HydrophobicContact CG1-CG1 3.87Å; I196-V204 WeakPolarHBondContact CG1-O 3.3Å; I196-V204 PolarHBondContact N-O 3.21Å; G197-V204 PolarHBondContact N-O 2.82Å; G197-V204 VanDerWaalsContact N-O 3.07Å; G197-V204 PolarHBondContact O-N 3.24Å; V204-A217 HydrophobicContact CG1-CB 4.2Å; V204-L218 CarbonylContact C-O 3.59Å; V204-L218 WeakPolarHBondContact CA-O 3.4Å; V204-K219 HydrophobicContact CG2-CB 4.13Å; V204-K219 HydrophobicContact CG2-CG 4.1Å
205	A	97.6	Very high	94.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144	179.6	0	0	0	0	0	111.5	F192 K194 I195 V207 A217 L218	F192-A205 HydrophobicContact CD2-CB 3.6Å; F192-A205 HydrophobicContact CE2-CB 3.56Å; K194-A205 CarbonylContact O-C 3.45Å; K194-A205 VanDerWaalsContact O-CA 3.3Å; K194-A205 WeakPolarHBondContact O-CA 3.4Å; I195-A205 HydrophobicContact CD1-CB 4.46Å; A205-V207 HydrophobicContact CB-CG1 3.97Å; A205-A217 CarbonylContact O-C 3.5Å; A205-A217 WeakPolarHBondContact O-CA 3.37Å; A205-L218 PolarHBondContact N-O 3.38Å; A205-L218 PolarHBondContact O-N 2.92Å
206	K	98.3	Very high	94.7	Very high	52 Å²	52	48.3 Å²	48.3	23%	0.226	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	126.6	155	-176.7	-174.6	175.8	-159.2	0	107.2	L193 K194 I196 H215 L216 L271	L193-K206 WeakPolarHBondContact CB-O 3.34Å; L193-K206 HydrophobicContact CD1-CD 4.45Å; L193-K206 HydrophobicContact CD1-CG 4.42Å; L193-K206 PolarHBondContact N-O 3.08Å; L193-K206 VanDerWaalsContact N-O 3.15Å; K194-K206 HydrophobicContact CG-CB 4.11Å; K194-K206 PolarHBondContact N-O 3.35Å; K194-K206 PolarHBondContact O-N 2.86Å; I196-K206 HydrophobicContact CD1-CB 4.43Å; I196-K206 HydrophobicContact CG2-CB 3.75Å; K206-H215 WeakPolarHBondContact CE-CD2 3.2Å; K206-H215 PolarHBondContact NZ-CD2 2.92Å; K206-H215 VanDerWaalsContact NZ-CD2 3.31Å; K206-H215 PolarHBondContact NZ-NE2 3.17Å; K206-L216 WeakPolarHBondContact CA-O 3.15Å; K206-L271 HydrophobicContact CD-CD2 4.04Å; K206-L271 HydrophobicContact CG-CD1 4.47Å; K206-L271 HydrophobicContact CG-CD2 3.98Å
207	V	98.7	Very high	94.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	162.8	177.9	-57.2	0	0	0	0	110.9	L186 Y190 E191 A205 H215 L216 L218	L186-V207 HydrophobicContact CD1-CG1 4.36Å; Y190-V207 HydrophobicContact CD1-CG2 4.15Å; Y190-V207 HydrophobicContact CG-CG2 4.49Å; E191-V207 CarbonylContact O-C 3.54Å; E191-V207 WeakPolarHBondContact O-CA 3.33Å; E191-V207 VanDerWaalsContact O-CB 3.27Å; E191-V207 WeakPolarHBondContact O-CB 3.38Å; A205-V207 HydrophobicContact CB-CG1 3.97Å; V207-H215 WeakPolarHBondContact O-CA 3.46Å; V207-L216 HydrophobicContact CG2-CB 3.93Å; V207-L216 PolarHBondContact N-O 3.35Å; V207-L216 PolarHBondContact O-N 3.36Å; V207-L218 HydrophobicContact CG1-CB 3.79Å; V207-L218 HydrophobicContact CG1-CD1 4.28Å; V207-L218 HydrophobicContact CG2-CB 3.91Å; V207-L218 HydrophobicContact CG2-CD1 4.43Å
208	Y	98.6	Very high	95.2	Very high	47 Å²	47	43.7 Å²	43.7	18%	0.184	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.2	165.3	-169.2	-102.9	0	0	0	109.4	Y190 E191 H210 Q213 H215	Y190-Y208 CarbonylContact C-O 3.45Å; Y190-Y208 WeakPolarHBondContact CA-O 3.42Å; E191-Y208 PolarHBondContact N-O 2.88Å; E191-Y208 PolarHBondContact O-N 3.03Å; Y208-H210 AromaticContact CD1-CD2 3.84Å; Y208-H210 AromaticContact CD1-CE1 3.82Å; Y208-H210 AromaticContact CD1-NE2 3.69Å; Y208-Q213 VanDerWaalsContact OH-C 3.26Å; Y208-Q213 VanDerWaalsContact OH-CA 3.3Å; Y208-Q213 WeakPolarHBondContact OH-CA 3.38Å; Y208-Q213 WeakPolarHBondContact OH-CB 3.31Å; Y208-Q213 PolarHBondContact OH-O 2.86Å; Y208-Q213 PolarHBondContact OH-OE1 3.17Å; Y208-H215 AromaticContact CD2-CD2 3.78Å; Y208-H215 AromaticContact CD2-NE2 3.89Å
209	D	98.5	Very high	95.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	107.7	176.4	-177.4	-11	0	0	0	109.1	R189 Y190 K211 L212 Q213 Q214 L216	R189-D209 WeakPolarHBondContact CG-OD1 3.24Å; R189-D209 IonicContact CZ-OD1 3.91Å; R189-D209 IonicContact CZ-OD2 2.86Å; R189-D209 IonicContact NE-OD1 3.18Å; R189-D209 PolarHBondContact NE-OD1 3.27Å; R189-D209 IonicContact NE-OD2 2.8Å; R189-D209 PolarHBondContact NE-OD2 3.14Å; R189-D209 IonicContact NH2-OD1 3.94Å; R189-D209 IonicContact NH2-OD2 3.09Å; R189-D209 PolarHBondContact NH2-OD2 2.82Å; Y190-D209 HydrophobicContact CD1-CB 3.84Å; Y190-D209 HydrophobicContact CE1-CB 3.91Å; D209-K211 VanDerWaalsContact C-N 3.26Å; D209-K211 PolarHBondContact O-N 2.9Å; D209-K211 VanDerWaalsContact OD1-CB 3.31Å; D209-K211 WeakPolarHBondContact OD1-CB 3.28Å; D209-K211 PolarHBondContact OD1-N 3.38Å; D209-L212 HydrophobicContact CB-CB 4.43Å; D209-L212 PolarHBondContact O-N 3.27Å; D209-L212 PolarHBondContact OD1-N 3.49Å; D209-L212 WeakPolarHBondContact OD2-CD1 3.46Å; D209-L212 WeakPolarHBondContact OD2-CG 3.33Å; D209-Q213 VanDerWaalsContact O-CA 3.27Å; D209-Q213 WeakPolarHBondContact O-CA 3.45Å; D209-Q213 PolarHBondContact O-N 3.47Å; D209-Q214 PolarHBondContact N-O 2.76Å; D209-Q214 PolarHBondContact O-N 2.89Å; D209-L216 HydrophobicContact CB-CD1 3.82Å; D209-L216 HydrophobicContact CB-CG 4.24Å
210	H	98.1	Very high	96.1	Very high	33 Å²	33	35.4 Å²	35.4	15%	0.153	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.3	-179.4	-76.7	-91.4	0	0	0	113.2	C119 F151 R189 E191 Y208 Q213	C119-H210 PolarHBondContact SG-O 2.89Å; C119-H210 VanDerWaalsContact SG-O 3.35Å; F151-H210 HydrophobicContact CB-CB 4.08Å; F151-H210 AromaticContact CD2-CD2 3.63Å; F151-H210 AromaticContact CD2-CE1 3.67Å; F151-H210 AromaticContact CD2-NE2 3.32Å; F151-H210 VanDerWaalsContact CD2-NE2 3.32Å; F151-H210 WeakPolarHBondContact CD2-NE2 3.43Å; F151-H210 AromaticContact CE2-NE2 3.65Å; F151-H210 AromaticContact CG-CD2 3.51Å; F151-H210 AromaticContact CG-NE2 3.67Å; R189-H210 PolarHBondContact O-N 2.86Å; E191-H210 IonicContact OE2-CE1 2.75Å; E191-H210 IonicContact OE2-NE2 3.27Å; E191-H210 PolarHBondContact OE2-NE2 3.24Å; Y208-H210 AromaticContact CD1-CD2 3.84Å; Y208-H210 AromaticContact CD1-CE1 3.82Å; Y208-H210 AromaticContact CD1-NE2 3.69Å; H210-Q213 PolarHBondContact O-NE2 3.24Å
211	K	96.7	Very high	96.8	Very high	86 Å²	86	34 Å²	34	37%	0.374	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-46.2	171.9	-177.6	175.8	-170.5	148.4	0	111.7	Y150 R189 D209	Y150-K211 HydrophobicContact CD1-CB 3.85Å; Y150-K211 HydrophobicContact CD1-CG 4.26Å; Y150-K211 HydrophobicContact CD2-CB 4.17Å; Y150-K211 HydrophobicContact CE1-CB 3.74Å; Y150-K211 HydrophobicContact CE1-CD 4.13Å; Y150-K211 HydrophobicContact CE1-CG 3.63Å; Y150-K211 HydrophobicContact CE2-CB 4.05Å; Y150-K211 HydrophobicContact CE2-CD 3.9Å; Y150-K211 HydrophobicContact CE2-CG 4.18Å; Y150-K211 HydrophobicContact CG-CB 4.08Å; Y150-K211 WeakPolarHBondContact OH-CD 3.22Å; Y150-K211 WeakPolarHBondContact OH-CE 3.33Å; Y150-K211 PolarHBondContact OH-NZ 2.75Å; R189-K211 HydrophobicContact CG-CB 4.13Å; D209-K211 VanDerWaalsContact C-N 3.26Å; D209-K211 PolarHBondContact O-N 2.9Å; D209-K211 VanDerWaalsContact OD1-CB 3.31Å; D209-K211 WeakPolarHBondContact OD1-CB 3.28Å; D209-K211 PolarHBondContact OD1-N 3.38Å
212	L	96.1	Very high	97.4	Very high	87 Å²	87	34.1 Å²	34.1	46%	0.455	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-2.2	-174.1	-60.6	-178.8	0	0	0	113.9	D209 Q214	D209-L212 HydrophobicContact CB-CB 4.43Å; D209-L212 PolarHBondContact O-N 3.27Å; D209-L212 PolarHBondContact OD1-N 3.49Å; D209-L212 WeakPolarHBondContact OD2-CD1 3.46Å; D209-L212 WeakPolarHBondContact OD2-CG 3.33Å; L212-Q214 VanDerWaalsContact C-N 3.26Å; L212-Q214 HydrophobicContact CB-CG 3.85Å; L212-Q214 PolarHBondContact O-N 2.72Å
213	Q	97.2	Very high	97.6	Very high	99 Å²	99	36.2 Å²	36.2	46%	0.463	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	40	179.4	-63.8	-70.4	-56.5	0	0	113.5	Y208 D209 H210	Y208-Q213 VanDerWaalsContact OH-C 3.26Å; Y208-Q213 VanDerWaalsContact OH-CA 3.3Å; Y208-Q213 WeakPolarHBondContact OH-CA 3.38Å; Y208-Q213 WeakPolarHBondContact OH-CB 3.31Å; Y208-Q213 PolarHBondContact OH-O 2.86Å; Y208-Q213 PolarHBondContact OH-OE1 3.17Å; D209-Q213 VanDerWaalsContact O-CA 3.27Å; D209-Q213 WeakPolarHBondContact O-CA 3.45Å; D209-Q213 PolarHBondContact O-N 3.47Å; H210-Q213 PolarHBondContact O-NE2 3.24Å
214	Q	97.6	Very high	97.6	Very high	85 Å²	85	38.4 Å²	38.4	40%	0.397	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.3	-176.6	64.1	175.5	-19.5	0	0	113.2	D209 L212 L216	D209-Q214 PolarHBondContact N-O 2.76Å; D209-Q214 PolarHBondContact O-N 2.89Å; L212-Q214 VanDerWaalsContact C-N 3.26Å; L212-Q214 HydrophobicContact CB-CG 3.85Å; L212-Q214 PolarHBondContact O-N 2.72Å; Q214-L216 HydrophobicContact CG-CD2 4Å; Q214-L216 HydrophobicContact CG-CG 4.34Å
215	H	98.4	Very high	97.4	Very high	84 Å²	84	45.1 Å²	45.1	39%	0.389	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	130.3	175.5	-70.2	106.6	0	0	0	111.7	K206 V207 Y208 L271	K206-H215 WeakPolarHBondContact CE-CD2 3.2Å; K206-H215 PolarHBondContact NZ-CD2 2.92Å; K206-H215 VanDerWaalsContact NZ-CD2 3.31Å; K206-H215 PolarHBondContact NZ-NE2 3.17Å; V207-H215 WeakPolarHBondContact O-CA 3.46Å; Y208-H215 AromaticContact CD2-CD2 3.78Å; Y208-H215 AromaticContact CD2-NE2 3.89Å; H215-L271 HydrophobicContact CB-CD2 3.79Å; H215-L271 WeakPolarHBondContact O-CB 3.37Å
216	L	98.4	Very high	97.2	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	165.8	-179.6	-58.9	-177.5	0	0	0	111.5	Y190 K206 V207 D209 Q214 L256	Y190-L216 HydrophobicContact CE1-CD1 4.05Å; K206-L216 WeakPolarHBondContact CA-O 3.15Å; V207-L216 HydrophobicContact CG2-CB 3.93Å; V207-L216 PolarHBondContact N-O 3.35Å; V207-L216 PolarHBondContact O-N 3.36Å; D209-L216 HydrophobicContact CB-CD1 3.82Å; D209-L216 HydrophobicContact CB-CG 4.24Å; Q214-L216 HydrophobicContact CG-CD2 4Å; Q214-L216 HydrophobicContact CG-CG 4.34Å; L216-L256 HydrophobicContact CD1-CD1 4.04Å; L216-L256 HydrophobicContact CD2-CD1 3.43Å; L216-L256 VanDerWaalsContact CD2-CD1 3.43Å; L216-L256 HydrophobicContact CG-CD1 4.35Å
217	A	98.6	Very high	97	Very high	11 Å²	11	47.7 Å²	47.7	9%	0.091	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.8	160.5	0	0	0	0	0	109.2	I196 V204 A205 T268 F269 L271	I196-A217 HydrophobicContact CD1-CB 3.98Å; V204-A217 HydrophobicContact CG1-CB 4.2Å; A205-A217 CarbonylContact O-C 3.5Å; A205-A217 WeakPolarHBondContact O-CA 3.37Å; A217-T268 CarbonylContact O-C 3.54Å; A217-T268 WeakPolarHBondContact O-CA 3.15Å; A217-F269 HydrophobicContact CB-CB 4.37Å; A217-F269 PolarHBondContact N-O 3.14Å; A217-F269 PolarHBondContact O-N 2.82Å; A217-L271 HydrophobicContact CB-CD1 4.09Å
218	L	98.6	Very high	96.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.7	176.7	-173.6	156.8	0	0	0	109.1	L186 Y190 V204 A205 V207 M220 F259 C266 M267 T268	L186-L218 HydrophobicContact CB-CD1 4.46Å; L186-L218 HydrophobicContact CD1-CD1 3.75Å; L186-L218 HydrophobicContact CD1-CD2 3.93Å; L186-L218 HydrophobicContact CD1-CG 4.46Å; Y190-L218 HydrophobicContact CD2-CD1 4.08Å; Y190-L218 HydrophobicContact CG-CD1 4.08Å; V204-L218 CarbonylContact C-O 3.59Å; V204-L218 WeakPolarHBondContact CA-O 3.4Å; A205-L218 PolarHBondContact N-O 3.38Å; A205-L218 PolarHBondContact O-N 2.92Å; V207-L218 HydrophobicContact CG1-CB 3.79Å; V207-L218 HydrophobicContact CG1-CD1 4.28Å; V207-L218 HydrophobicContact CG2-CB 3.91Å; V207-L218 HydrophobicContact CG2-CD1 4.43Å; L218-M220 HydrophobicContact CD2-CB 4Å; L218-F259 HydrophobicContact CD1-CZ 4.06Å; L218-C266 HydrophobicContact CD2-CB 4.47Å; L218-M267 CarbonylContact C-O 3.55Å; L218-M267 WeakPolarHBondContact CA-O 3.27Å; L218-T268 HydrophobicContact CB-CG2 4.27Å; L218-T268 HydrophobicContact CD1-CG2 3.95Å; L218-T268 HydrophobicContact CG-CG2 4.04Å
219	K	98.3	Very high	96.6	Very high	13 Å²	13	55.3 Å²	55.3	6%	0.057	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120	171.4	-176.1	172	176.5	179.3	0	108	V204 E234 C266 M267 F269 D336	V204-K219 HydrophobicContact CG2-CB 4.13Å; V204-K219 HydrophobicContact CG2-CG 4.1Å; K219-E234 WeakPolarHBondContact CE-OE2 3.3Å; K219-E234 IonicContact NZ-OE1 3.22Å; K219-E234 PolarHBondContact NZ-OE1 3.44Å; K219-E234 IonicContact NZ-OE2 3.52Å; K219-E234 PolarHBondContact NZ-OE2 3.24Å; K219-C266 WeakPolarHBondContact O-CA 3.36Å; K219-M267 HydrophobicContact CD-CE 3.95Å; K219-M267 HydrophobicContact CG-CE 4.24Å; K219-M267 PolarHBondContact N-O 3.27Å; K219-M267 PolarHBondContact O-N 2.93Å; K219-F269 HydrophobicContact CB-CD2 4.46Å; K219-F269 HydrophobicContact CB-CE2 3.8Å; K219-F269 HydrophobicContact CD-CE2 4.4Å; K219-D336 IonicContact NZ-OD1 2.7Å; K219-D336 PolarHBondContact NZ-OD1 3.13Å
220	M	97.8	Very high	96.4	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.1	174.1	-175.1	147.8	43	0	0	108.5	Y178 H180 L186 G202 Q203 L218 H264	Y178-M220 HydrophobicContact CD1-CE 3.24Å; Y178-M220 HydrophobicContact CD1-SD 4.03Å; Y178-M220 HydrophobicContact CD2-CE 4.49Å; Y178-M220 HydrophobicContact CD2-SD 4.24Å; Y178-M220 HydrophobicContact CE1-CE 3.93Å; Y178-M220 HydrophobicContact CG-CE 3.57Å; Y178-M220 HydrophobicContact CG-SD 3.77Å; H180-M220 WeakPolarHBondContact CE1-CE 3.47Å; L186-M220 HydrophobicContact CD1-CE 4.22Å; L186-M220 HydrophobicContact CD2-CE 3.93Å; G202-M220 WeakPolarHBondContact CA-O 3.31Å; Q203-M220 PolarHBondContact N-O 3.31Å; Q203-M220 PolarHBondContact O-N 2.87Å; L218-M220 HydrophobicContact CD2-CB 4Å; M220-H264 HydrophobicContact CG-CB 3.61Å; M220-H264 HydrophobicContact SD-CB 3.97Å
221	V	97.9	Very high	96.3	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.024	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	142.5	-172	-179.3	0	0	0	0	109.5	F201 F227 A231 H264 I265 M267	F201-V221 WeakPolarHBondContact O-CA 3.35Å; V221-F227 HydrophobicContact CG1-CB 3.65Å; V221-A231 HydrophobicContact CB-CB 4.43Å; V221-A231 HydrophobicContact CG1-CB 4.08Å; V221-A231 HydrophobicContact CG2-CB 3.75Å; V221-H264 PolarHBondContact O-ND1 3.26Å; V221-I265 HydrophobicContact CB-CB 4.25Å; V221-I265 WeakPolarHBondContact CB-O 3.36Å; V221-I265 HydrophobicContact CG2-CB 4.3Å; V221-I265 VanDerWaalsContact CG2-O 3.32Å; V221-I265 WeakPolarHBondContact CG2-O 3.37Å; V221-I265 PolarHBondContact N-O 3.45Å; V221-M267 HydrophobicContact CG2-CE 3.57Å
222	R	96.6	Very high	96.4	Very high	31 Å²	31	56.3 Å²	56.3	12%	0.117	25%	0.254	C	S	.	.			trans	-57.1	142.8	174.2	-71	-171.5	179.4	-157.1	-9.2	111.8	Q175 G176 S200 F201 E224 F227 H228	Q175-R222 PolarHBondContact O-NH1 2.79Å; G176-R222 CarbonylContact O-C 3.56Å; G176-R222 VanDerWaalsContact O-CA 3.32Å; G176-R222 WeakPolarHBondContact O-CA 3.33Å; S200-R222 WeakPolarHBondContact O-CD 3.35Å; S200-R222 PolarHBondContact O-NE 3.43Å; S200-R222 VanDerWaalsContact O-NE 3.11Å; F201-R222 PolarHBondContact O-N 3.35Å; R222-E224 HydrophobicContact CB-CG 4.38Å; R222-E224 WeakPolarHBondContact CD-OE1 3.16Å; R222-E224 IonicContact NH1-OE1 2.66Å; R222-E224 PolarHBondContact O-N 3.11Å; R222-F227 HydrophobicContact CB-CD2 3.81Å; R222-F227 HydrophobicContact CB-CE2 4.49Å; R222-F227 HydrophobicContact CB-CG 4.45Å; R222-F227 HydrophobicContact CG-CD2 4.47Å; R222-H228 PolarHBondContact O-CD2 3.02Å; R222-H228 VanDerWaalsContact O-CD2 3.29Å; R222-H228 PolarHBondContact O-NE2 2.87Å
223	N	96.2	Very high	96.3	Very high	54 Å²	54	54 Å²	54	29%	0.289	24%	0.241	S	C	.	.	S	Bend	trans	-74	60.6	178.2	-172.1	8.8	0	0	0	111.3	D172 G176	D172-N223 WeakPolarHBondContact OD2-CB 3.32Å; D172-N223 PolarHBondContact OD2-ND2 3.35Å; G176-N223 PolarHBondContact O-N 3.44Å
224	E	94.6	Very high	96.4	Very high	71 Å²	71	49.5 Å²	49.5	33%	0.332	22%	0.22	S	C	.	.	S	Bend	trans	-133.2	138.1	178.1	-58.4	179.1	-135.4	0	0	110.9	R222 R226 F227 H228	R222-E224 HydrophobicContact CB-CG 4.38Å; R222-E224 WeakPolarHBondContact CD-OE1 3.16Å; R222-E224 IonicContact NH1-OE1 2.66Å; R222-E224 PolarHBondContact O-N 3.11Å; E224-R226 PolarHBondContact O-N 3.23Å; E224-F227 HydrophobicContact CB-CD2 3.89Å; E224-F227 HydrophobicContact CG-CD2 4.14Å; E224-F227 PolarHBondContact O-N 3.05Å; E224-F227 WeakPolarHBondContact OE1-CE2 3.35Å; E224-H228 PolarHBondContact O-CD2 3.34Å; E224-H228 PolarHBondContact O-N 2.84Å
225	K	93.4	Very high	96.4	Very high	183 Å²	183	46.3 Å²	46.3	80%	0.796	21%	0.205	S	C	*	.	H	α-helix	trans	-57	-23.4	-179.4	-63.6	-178	-179.8	178.5	0	114.4	R229	K225-R229 PolarHBondContact O-NE 2.96Å
226	R	91.9	Very high	96.4	Very high	90 Å²	90	48.6 Å²	48.6	34%	0.34	21%	0.211	S	C	.	.	H	α-helix	trans	-72.9	-53	174	-177.9	-177.1	176.7	-168.6	-2.6	110.9	E224 H228 R229 Q230	E224-R226 PolarHBondContact O-N 3.23Å; R226-H228 VanDerWaalsContact C-N 3.34Å; R226-R229 PolarHBondContact O-N 3.23Å; R226-Q230 PolarHBondContact O-N 2.76Å
227	F	94.3	Very high	96.4	Very high	16 Å²	16	48.5 Å²	48.5	7%	0.07	21%	0.21	C	C	.	.	H	α-helix	trans	-69.3	-32.2	-177.8	-64.6	-58.6	0	0	0	112	S200 F201 V221 R222 E224 R229 Q230 A231	S200-F227 WeakPolarHBondContact O-CE2 3.15Å; S200-F227 WeakPolarHBondContact O-CZ 3.42Å; F201-F227 HydrophobicContact CB-CD1 4.46Å; F201-F227 AromaticContact CD1-CD1 3.78Å; F201-F227 HydrophobicContact CD1-CD1 3.78Å; F201-F227 AromaticContact CD1-CE1 3.94Å; F201-F227 HydrophobicContact CD1-CE1 3.94Å; F201-F227 HydrophobicContact CE1-CD1 4.45Å; F201-F227 HydrophobicContact CE1-CE1 4.38Å; F201-F227 HydrophobicContact CG-CD1 4.41Å; F201-F227 HydrophobicContact CG-CE1 4.39Å; V221-F227 HydrophobicContact CG1-CB 3.65Å; R222-F227 HydrophobicContact CB-CD2 3.81Å; R222-F227 HydrophobicContact CB-CE2 4.49Å; R222-F227 HydrophobicContact CB-CG 4.45Å; R222-F227 HydrophobicContact CG-CD2 4.47Å; E224-F227 HydrophobicContact CB-CD2 3.89Å; E224-F227 HydrophobicContact CG-CD2 4.14Å; E224-F227 PolarHBondContact O-N 3.05Å; E224-F227 WeakPolarHBondContact OE1-CE2 3.35Å; F227-R229 PolarHBondContact O-N 3.14Å; F227-Q230 VanDerWaalsContact CD1-OE1 3.25Å; F227-Q230 PolarHBondContact O-N 3.31Å; F227-A231 WeakPolarHBondContact O-CB 3.19Å; F227-A231 PolarHBondContact O-N 2.81Å
228	H	95.8	Very high	96.4	Very high	44 Å²	44	48.2 Å²	48.2	20%	0.204	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-42.7	172.8	-74.8	-159.3	0	0	0	112.7	R222 E224 R226 A231 Q232 N263 I265	R222-H228 PolarHBondContact O-CD2 3.02Å; R222-H228 VanDerWaalsContact O-CD2 3.29Å; R222-H228 PolarHBondContact O-NE2 2.87Å; E224-H228 PolarHBondContact O-CD2 3.34Å; E224-H228 PolarHBondContact O-N 2.84Å; R226-H228 VanDerWaalsContact C-N 3.34Å; H228-A231 PolarHBondContact O-N 2.85Å; H228-Q232 WeakPolarHBondContact O-CG 3.31Å; H228-Q232 PolarHBondContact O-N 2.97Å; H228-N263 PolarHBondContact CE1-O 2.96Å; H228-N263 PolarHBondContact NE2-O 2.93Å; H228-I265 HydrophobicContact CB-CD1 3.92Å
229	R	94.2	Very high	96.3	Very high	164 Å²	164	51.9 Å²	51.9	62%	0.619	22%	0.224	S	C	*	.	H	α-helix	trans	-66.5	-37.6	176.2	-73.4	-176.2	-69.9	179	2.5	112.5	K225 R226 F227 E233	K225-R229 PolarHBondContact O-NE 2.96Å; R226-R229 PolarHBondContact O-N 3.23Å; F227-R229 PolarHBondContact O-N 3.14Å; R229-E233 PolarHBondContact O-N 3.39Å
230	Q	93.8	Very high	96.3	Very high	18 Å²	18	54.1 Å²	54.1	8%	0.084	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-41.4	174.5	-77.6	177.7	-39	0	0	112	R226 F227 E233 E234 G338 Y348	R226-Q230 PolarHBondContact O-N 2.76Å; F227-Q230 VanDerWaalsContact CD1-OE1 3.25Å; F227-Q230 PolarHBondContact O-N 3.31Å; Q230-E233 PolarHBondContact O-N 2.76Å; Q230-E234 WeakPolarHBondContact O-CB 3.17Å; Q230-E234 PolarHBondContact O-N 3Å; Q230-G338 WeakPolarHBondContact CB-O 3.47Å; Q230-Y348 HydrophobicContact CG-CE2 4.38Å
231	A	96.9	Very high	96.3	Very high	2 Å²	2	54 Å²	54	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-37.9	177.1	0	0	0	0	0	112.8	V221 F227 H228 E233 E234 I235 I265 M267	V221-A231 HydrophobicContact CB-CB 4.43Å; V221-A231 HydrophobicContact CG1-CB 4.08Å; V221-A231 HydrophobicContact CG2-CB 3.75Å; F227-A231 WeakPolarHBondContact O-CB 3.19Å; F227-A231 PolarHBondContact O-N 2.81Å; H228-A231 PolarHBondContact O-N 2.85Å; A231-E233 VanDerWaalsContact C-N 3.34Å; A231-E233 PolarHBondContact O-N 3.33Å; A231-E234 PolarHBondContact O-N 3.21Å; A231-I235 WeakPolarHBondContact O-CB 3.36Å; A231-I235 WeakPolarHBondContact O-CD1 3.22Å; A231-I235 VanDerWaalsContact O-CG1 3.24Å; A231-I235 WeakPolarHBondContact O-CG1 3.47Å; A231-I235 PolarHBondContact O-N 2.87Å; A231-I265 HydrophobicContact CB-CB 4.37Å; A231-I265 HydrophobicContact CB-CD1 4.19Å; A231-I265 HydrophobicContact CB-CG2 4.05Å; A231-M267 HydrophobicContact CB-CE 4.06Å
232	Q	97	Very high	96.1	Very high	120 Å²	120	59.8 Å²	59.8	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-61.6	-40.7	173.3	-74.8	173.5	-24.9	0	0	112.2	H228 R236 I265	H228-Q232 WeakPolarHBondContact O-CG 3.31Å; H228-Q232 PolarHBondContact O-N 2.97Å; Q232-R236 WeakPolarHBondContact O-CB 3.43Å; Q232-R236 PolarHBondContact O-N 3.1Å; Q232-I265 HydrophobicContact CG-CD1 4.35Å
233	E	95.9	Very high	96	Very high	38 Å²	38	65.2 Å²	65.2	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-73.1	-35.8	177.1	-168.1	61.8	-168	0	0	112	R229 Q230 A231 R236 I237 F342	R229-E233 PolarHBondContact O-N 3.39Å; Q230-E233 PolarHBondContact O-N 2.76Å; A231-E233 VanDerWaalsContact C-N 3.34Å; A231-E233 PolarHBondContact O-N 3.33Å; E233-R236 PolarHBondContact O-N 2.92Å; E233-R236 WeakPolarHBondContact OE2-CD 3.34Å; E233-R236 IonicContact OE2-NH1 3.84Å; E233-I237 HydrophobicContact CG-CD1 4.02Å; E233-I237 WeakPolarHBondContact O-CB 3.44Å; E233-I237 WeakPolarHBondContact O-CG1 3.36Å; E233-I237 PolarHBondContact O-N 3.04Å; E233-F342 VanDerWaalsContact OE1-CD2 3.22Å; E233-F342 WeakPolarHBondContact OE1-CD2 3.32Å; E233-F342 WeakPolarHBondContact OE1-CE2 3.41Å
234	E	97.8	Very high	95.9	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-59.4	-49.7	171.1	175.1	165.3	-147.2	0	0	111.7	K219 Q230 A231 R236 I237 L238 M267 F337 G338	K219-E234 WeakPolarHBondContact CE-OE2 3.3Å; K219-E234 IonicContact NZ-OE1 3.22Å; K219-E234 PolarHBondContact NZ-OE1 3.44Å; K219-E234 IonicContact NZ-OE2 3.52Å; K219-E234 PolarHBondContact NZ-OE2 3.24Å; Q230-E234 WeakPolarHBondContact O-CB 3.17Å; Q230-E234 PolarHBondContact O-N 3Å; A231-E234 PolarHBondContact O-N 3.21Å; E234-R236 PolarHBondContact O-N 3.3Å; E234-I237 PolarHBondContact O-N 3.33Å; E234-L238 HydrophobicContact CG-CD1 3.69Å; E234-L238 HydrophobicContact CG-CG 4.49Å; E234-L238 WeakPolarHBondContact O-CB 3.19Å; E234-L238 VanDerWaalsContact O-CG 3.25Å; E234-L238 WeakPolarHBondContact O-CG 3.42Å; E234-L238 PolarHBondContact O-N 2.9Å; E234-M267 HydrophobicContact CG-SD 4.1Å; E234-F337 HydrophobicContact CG-CB 3.97Å; E234-F337 PolarHBondContact OE1-N 3.17Å; E234-G338 VanDerWaalsContact CD-N 3.29Å; E234-G338 PolarHBondContact OE1-N 2.81Å; E234-G338 WeakPolarHBondContact OE2-CA 3.24Å
235	I	98.5	Very high	95.8	Very high	18 Å²	18	64.1 Å²	64.1	9%	0.092	27%	0.273	C	S	.	.	H	α-helix	trans	-54.8	-51.8	174.1	-73.4	163.9	0	0	0	110.1	A231 I237 L238 E239 M255 N258 I265 M267	A231-I235 WeakPolarHBondContact O-CB 3.36Å; A231-I235 WeakPolarHBondContact O-CD1 3.22Å; A231-I235 VanDerWaalsContact O-CG1 3.24Å; A231-I235 WeakPolarHBondContact O-CG1 3.47Å; A231-I235 PolarHBondContact O-N 2.87Å; I235-I237 PolarHBondContact O-N 3.4Å; I235-L238 PolarHBondContact O-N 3.12Å; I235-E239 WeakPolarHBondContact O-CB 3.46Å; I235-E239 WeakPolarHBondContact O-CG 3.37Å; I235-E239 PolarHBondContact O-N 2.85Å; I235-M255 HydrophobicContact CG1-SD 4.04Å; I235-M255 HydrophobicContact CG2-CE 4.22Å; I235-N258 HydrophobicContact CD1-CB 3.87Å; I235-N258 HydrophobicContact CG1-CB 4.14Å; I235-I265 HydrophobicContact CD1-CG2 3.97Å; I235-M267 HydrophobicContact CD1-CG 4.06Å; I235-M267 HydrophobicContact CD1-SD 4.17Å; I235-M267 HydrophobicContact CG1-CG 3.85Å; I235-M267 HydrophobicContact CG1-SD 3.61Å
236	R	98.1	Very high	95.5	Very high	133 Å²	133	66.7 Å²	66.7	50%	0.502	28%	0.278	S	S	.	.	H	α-helix	trans	-57.9	-45.6	179.9	-177.6	-172.9	-173.8	161.4	6.4	112.6	Q232 E233 E234 H240	Q232-R236 WeakPolarHBondContact O-CB 3.43Å; Q232-R236 PolarHBondContact O-N 3.1Å; E233-R236 PolarHBondContact O-N 2.92Å; E233-R236 WeakPolarHBondContact OE2-CD 3.34Å; E233-R236 IonicContact OE2-NH1 3.84Å; E234-R236 PolarHBondContact O-N 3.3Å; R236-H240 VanDerWaalsContact O-CB 3.31Å; R236-H240 WeakPolarHBondContact O-CB 3.21Å; R236-H240 PolarHBondContact O-N 3.49Å
237	I	98.2	Very high	95.3	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-45.8	179.5	-78.6	170.1	0	0	0	110.7	E233 E234 I235 H240 L241 I312 F337 F342	E233-I237 HydrophobicContact CG-CD1 4.02Å; E233-I237 WeakPolarHBondContact O-CB 3.44Å; E233-I237 WeakPolarHBondContact O-CG1 3.36Å; E233-I237 PolarHBondContact O-N 3.04Å; E234-I237 PolarHBondContact O-N 3.33Å; I235-I237 PolarHBondContact O-N 3.4Å; I237-H240 PolarHBondContact O-N 3.34Å; I237-L241 HydrophobicContact CG2-CD1 3.9Å; I237-L241 WeakPolarHBondContact O-CG 3.46Å; I237-L241 PolarHBondContact O-N 3.19Å; I237-I312 HydrophobicContact CD1-CG2 4.32Å; I237-I312 HydrophobicContact CG2-CD1 4.22Å; I237-I312 HydrophobicContact CG2-CG2 4.11Å; I237-F337 HydrophobicContact CG2-CB 4.45Å; I237-F337 HydrophobicContact CG2-CD1 3.68Å; I237-F337 HydrophobicContact CG2-CE1 4.35Å; I237-F337 HydrophobicContact CG2-CG 4.37Å; I237-F342 HydrophobicContact CG1-CD2 4.44Å; I237-F342 HydrophobicContact CG1-CE2 3.85Å; I237-F342 HydrophobicContact CG1-CZ 4.12Å
238	L	98.3	Very high	94.9	Very high	6 Å²	6	69 Å²	69	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-67.6	-40	-179.2	-70.9	168.1	0	0	0	112.2	E234 I235 L241 R242 V252 V253 M255 F269 F337	E234-L238 HydrophobicContact CG-CD1 3.69Å; E234-L238 HydrophobicContact CG-CG 4.49Å; E234-L238 WeakPolarHBondContact O-CB 3.19Å; E234-L238 VanDerWaalsContact O-CG 3.25Å; E234-L238 WeakPolarHBondContact O-CG 3.42Å; E234-L238 PolarHBondContact O-N 2.9Å; I235-L238 PolarHBondContact O-N 3.12Å; L238-L241 PolarHBondContact O-N 2.81Å; L238-R242 WeakPolarHBondContact O-CB 3.37Å; L238-R242 PolarHBondContact O-N 2.89Å; L238-V252 HydrophobicContact CD2-CG1 3.97Å; L238-V253 HydrophobicContact CD2-CG1 4.14Å; L238-M255 HydrophobicContact CB-CB 4.48Å; L238-M255 HydrophobicContact CD1-CB 4.34Å; L238-F269 HydrophobicContact CD1-CE1 3.79Å; L238-F269 HydrophobicContact CD1-CZ 4.22Å; L238-F337 HydrophobicContact CD2-CB 4.43Å; L238-F337 HydrophobicContact CD2-CD2 3.76Å; L238-F337 HydrophobicContact CD2-CE2 4.2Å; L238-F337 HydrophobicContact CD2-CG 4.06Å; L238-F337 HydrophobicContact CG-CB 4.35Å; L238-F337 HydrophobicContact CG-CG 4.48Å
239	E	97.7	Very high	94.7	Very high	76 Å²	76	68.7 Å²	68.7	36%	0.355	31%	0.309	S	S	.	.	H	α-helix	trans	-63.8	-41.3	172.8	-75	-177.3	-171.3	0	0	112.6	I235 R242 K243 M255	I235-E239 WeakPolarHBondContact O-CB 3.46Å; I235-E239 WeakPolarHBondContact O-CG 3.37Å; I235-E239 PolarHBondContact O-N 2.85Å; E239-R242 PolarHBondContact O-N 3.09Å; E239-K243 WeakPolarHBondContact O-CD 3.35Å; E239-K243 WeakPolarHBondContact O-CG 3.48Å; E239-K243 PolarHBondContact O-N 2.96Å; E239-M255 HydrophobicContact CG-CE 3.81Å
240	H	97.4	Very high	94.7	Very high	61 Å²	61	61.6 Å²	61.6	28%	0.282	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-46.5	175.9	175	80.2	0	0	0	111.5	R236 I237 H310	R236-H240 VanDerWaalsContact O-CB 3.31Å; R236-H240 WeakPolarHBondContact O-CB 3.21Å; R236-H240 PolarHBondContact O-N 3.49Å; I237-H240 PolarHBondContact O-N 3.34Å; H240-H310 AromaticContact NE2-CG 3.5Å; H240-H310 AromaticContact NE2-ND1 3.35Å; H240-H310 PolarHBondContact NE2-ND1 2.92Å
241	L	97.1	Very high	94.9	Very high	2 Å²	2	61 Å²	61	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-42.1	176.1	-70.1	169.5	0	0	0	111.8	I237 L238 K243 Q244 D245 M250 V252 L307 I312 F337	I237-L241 HydrophobicContact CG2-CD1 3.9Å; I237-L241 WeakPolarHBondContact O-CG 3.46Å; I237-L241 PolarHBondContact O-N 3.19Å; L238-L241 PolarHBondContact O-N 2.81Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 3.41Å; L241-Q244 WeakPolarHBondContact O-CA 3.25Å; L241-Q244 WeakPolarHBondContact O-CB 3.47Å; L241-Q244 PolarHBondContact O-N 3.27Å; L241-D245 PolarHBondContact O-N 3.1Å; L241-D245 VanDerWaalsContact O-N 3.14Å; L241-M250 HydrophobicContact CB-CE 4.03Å; L241-M250 HydrophobicContact CD2-CE 4.11Å; L241-M250 WeakPolarHBondContact O-CE 3.25Å; L241-V252 HydrophobicContact CD1-CG1 4.18Å; L241-V252 HydrophobicContact CD1-CG2 4.43Å; L241-L307 HydrophobicContact CD1-CD2 3.61Å; L241-L307 HydrophobicContact CD2-CD2 4.01Å; L241-L307 HydrophobicContact CG-CD2 4.47Å; L241-I312 HydrophobicContact CD1-CD1 4.29Å; L241-I312 HydrophobicContact CD2-CD1 3.97Å; L241-I312 HydrophobicContact CG-CD1 4.04Å; L241-F337 HydrophobicContact CD1-CE1 3.96Å; L241-F337 HydrophobicContact CD1-CZ 4.39Å
242	R	95.4	Very high	95	Very high	125 Å²	125	61.1 Å²	61.1	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-36.9	-179.5	179.9	55.7	173.1	-176.3	-6	112.7	L238 E239 Q244 D245 H254	L238-R242 WeakPolarHBondContact O-CB 3.37Å; L238-R242 PolarHBondContact O-N 2.89Å; E239-R242 PolarHBondContact O-N 3.09Å; R242-Q244 PolarHBondContact O-N 2.69Å; R242-D245 PolarHBondContact O-N 3.31Å; R242-H254 PolarHBondContact NH1-CE1 2.84Å; R242-H254 VanDerWaalsContact NH1-CG 3.31Å; R242-H254 PolarHBondContact NH1-ND1 3.13Å; R242-H254 PolarHBondContact NH1-NE2 2.76Å
243	K	94.6	Very high	95	Very high	144 Å²	144	55.8 Å²	55.8	63%	0.626	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-20.3	174.7	-72.8	161	-175.5	161.7	0	113.5	E239 L241	E239-K243 WeakPolarHBondContact O-CD 3.35Å; E239-K243 WeakPolarHBondContact O-CG 3.48Å; E239-K243 PolarHBondContact O-N 2.96Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 3.41Å
244	Q	93.1	Very high	95	Very high	97 Å²	97	55.3 Å²	55.3	45%	0.453	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-20.8	-178.3	-52.3	-64.1	-20	0	0	112.9	L241 R242 R246 M250	L241-Q244 WeakPolarHBondContact O-CA 3.25Å; L241-Q244 WeakPolarHBondContact O-CB 3.47Å; L241-Q244 PolarHBondContact O-N 3.27Å; R242-Q244 PolarHBondContact O-N 2.69Å; Q244-R246 PolarHBondContact O-N 2.68Å; Q244-M250 HydrophobicContact CB-CE 4.1Å; Q244-M250 HydrophobicContact CB-SD 4.5Å
245	D	92.7	Very high	95.1	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.032	26%	0.259	C	S	.	.			trans	-81.3	49	-175.4	-158.1	15.2	0	0	0	113.7	L241 R242 N247 G248 A249 M250 H254	L241-D245 PolarHBondContact O-N 3.1Å; L241-D245 VanDerWaalsContact O-N 3.14Å; R242-D245 PolarHBondContact O-N 3.31Å; D245-N247 PolarHBondContact O-N 3.45Å; D245-G248 PolarHBondContact O-N 3.15Å; D245-G248 VanDerWaalsContact O-N 3.11Å; D245-G248 WeakPolarHBondContact OD1-CA 3.32Å; D245-G248 PolarHBondContact OD1-N 2.91Å; D245-G248 WeakPolarHBondContact OD2-CA 3.42Å; D245-A249 PolarHBondContact OD1-N 2.79Å; D245-M250 HydrophobicContact CB-CE 3.64Å; D245-M250 HydrophobicContact CB-CG 4.24Å; D245-M250 WeakPolarHBondContact OD1-CG 3.47Å; D245-M250 PolarHBondContact OD1-N 2.82Å; D245-H254 IonicContact OD2-CD2 3.41Å; D245-H254 IonicContact OD2-CE1 3.01Å; D245-H254 IonicContact OD2-NE2 3.66Å; D245-H254 PolarHBondContact OD2-NE2 3.42Å
246	R	87.1	Confident	95	Very high	237 Å²	237	58.8 Å²	58.8	89%	0.894	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-25.2	-171.7	-65.7	-173.6	-179.2	-172.6	0.2	114.7	Q244	Q244-R246 PolarHBondContact O-N 2.68Å
247	N	88.4	Confident	94.9	Very high	129 Å²	129	56 Å²	56	69%	0.69	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	7.3	-177.6	63.3	-2.5	0	0	0	113.8	D245 A249	D245-N247 PolarHBondContact O-N 3.45Å; N247-A249 PolarHBondContact O-N 2.78Å; N247-A249 WeakPolarHBondContact OD1-CB 3.43Å; N247-A249 PolarHBondContact OD1-N 2.71Å
248	G	85.5	Confident	94.9	Very high	24 Å²	24	59.2 Å²	59.2	25%	0.247	28%	0.282	C	S	.	.	S	Bend	trans	67.7	14	-178.4	0	0	0	0	0	115.2	D245	D245-G248 PolarHBondContact O-N 3.15Å; D245-G248 VanDerWaalsContact O-N 3.11Å; D245-G248 WeakPolarHBondContact OD1-CA 3.32Å; D245-G248 PolarHBondContact OD1-N 2.91Å; D245-G248 WeakPolarHBondContact OD2-CA 3.42Å
249	A	90.5	Very high	94.9	Very high	39 Å²	39	60.8 Å²	60.8	32%	0.322	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.5	-173.8	0	0	0	0	0	114	D245 N247 N251	D245-A249 PolarHBondContact OD1-N 2.79Å; N247-A249 PolarHBondContact O-N 2.78Å; N247-A249 WeakPolarHBondContact OD1-CB 3.43Å; N247-A249 PolarHBondContact OD1-N 2.71Å; A249-N251 PolarHBondContact O-N 3.18Å
250	M	95.4	Very high	94.9	Very high	14 Å²	14	61.2 Å²	61.2	7%	0.069	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-11	-179.9	-60	-152.3	-61.1	0	0	113.6	L241 Q244 D245 V252 C303 A306	L241-M250 HydrophobicContact CB-CE 4.03Å; L241-M250 HydrophobicContact CD2-CE 4.11Å; L241-M250 WeakPolarHBondContact O-CE 3.25Å; Q244-M250 HydrophobicContact CB-CE 4.1Å; Q244-M250 HydrophobicContact CB-SD 4.5Å; D245-M250 HydrophobicContact CB-CE 3.64Å; D245-M250 HydrophobicContact CB-CG 4.24Å; D245-M250 WeakPolarHBondContact OD1-CG 3.47Å; D245-M250 PolarHBondContact OD1-N 2.82Å; M250-V252 HydrophobicContact CB-CG2 4.2Å; M250-V252 PolarHBondContact O-N 2.97Å; M250-V252 VanDerWaalsContact O-N 3.16Å; M250-C303 WeakPolarHBondContact O-CA 3.4Å; M250-C303 WeakPolarHBondContact O-CB 3.34Å; M250-C303 PolarHBondContact O-N 3.02Å; M250-A306 HydrophobicContact CB-CB 4.19Å; M250-A306 HydrophobicContact CE-CB 4.47Å; M250-A306 HydrophobicContact CG-CB 4.06Å; M250-A306 HydrophobicContact SD-CB 3.33Å; M250-A306 WeakPolarHBondContact SD-CB 3.47Å
251	N	97.5	Very high	95	Very high	7 Å²	7	58.3 Å²	58.3	4%	0.037	28%	0.283	C	S	.	.			trans	51.8	33.3	-175.7	-61.6	-34.2	0	0	0	113.7	A249 S299 Q302 K325 I332 K333 V334	A249-N251 PolarHBondContact O-N 3.18Å; N251-S299 PolarHBondContact ND2-O 2.82Å; N251-Q302 PolarHBondContact ND2-OE1 2.82Å; N251-K325 WeakPolarHBondContact OD1-CE 3.4Å; N251-K325 PolarHBondContact OD1-NZ 2.96Å; N251-I332 HydrophobicContact CB-CD1 4.18Å; N251-I332 WeakPolarHBondContact CB-O 3.34Å; N251-I332 PolarHBondContact OD1-O 2.99Å; N251-K333 CarbonylContact O-C 3.54Å; N251-K333 WeakPolarHBondContact O-CA 3.45Å; N251-V334 PolarHBondContact O-N 3.17Å
252	V	98.1	Very high	94.9	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.024	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-95.2	144.9	168.9	177.9	0	0	0	0	108.6	L238 L241 M250 H254 C303 K333 F337	L238-V252 HydrophobicContact CD2-CG1 3.97Å; L241-V252 HydrophobicContact CD1-CG1 4.18Å; L241-V252 HydrophobicContact CD1-CG2 4.43Å; M250-V252 HydrophobicContact CB-CG2 4.2Å; M250-V252 PolarHBondContact O-N 2.97Å; M250-V252 VanDerWaalsContact O-N 3.16Å; V252-H254 PolarHBondContact O-CD2 3.07Å; V252-H254 VanDerWaalsContact O-CD2 3.27Å; V252-C303 HydrophobicContact CG2-CB 4.5Å; V252-K333 WeakPolarHBondContact O-CD 3.34Å; V252-K333 WeakPolarHBondContact O-CE 3.49Å; V252-K333 PolarHBondContact O-NZ 2.86Å; V252-F337 HydrophobicContact CG1-CE2 3.82Å; V252-F337 HydrophobicContact CG1-CZ 3.81Å; V252-F337 HydrophobicContact CG2-CZ 4.31Å
253	V	97.6	Very high	95	Very high	8 Å²	8	57.6 Å²	57.6	5%	0.048	29%	0.287	C	S	.	.			trans	-60.9	137.7	173.3	71	0	0	0	0	111.8	L238 F269 E270 L272 V334 I335	L238-V253 HydrophobicContact CD2-CG1 4.14Å; V253-F269 HydrophobicContact CG1-CD1 3.99Å; V253-F269 HydrophobicContact CG1-CE1 4.05Å; V253-F269 HydrophobicContact CG2-CB 4.15Å; V253-F269 HydrophobicContact CG2-CD1 3.77Å; V253-F269 HydrophobicContact CG2-CG 4.31Å; V253-E270 HydrophobicContact CG2-CG 4.38Å; V253-L272 HydrophobicContact CG2-CD1 4.17Å; V253-V334 PolarHBondContact N-O 2.9Å; V253-I335 HydrophobicContact CB-CG2 4.04Å; V253-I335 HydrophobicContact CG1-CB 4.46Å; V253-I335 HydrophobicContact CG1-CG2 4.47Å; V253-I335 HydrophobicContact CG2-CG2 4.2Å
254	H	97.3	Very high	95.1	Very high	27 Å²	27	50.7 Å²	50.7	13%	0.125	26%	0.257	C	S	.	.			trans	-94.1	106.3	179	-63	167.2	0	0	0	109.1	R242 D245 V252 F269 E270 K333	R242-H254 PolarHBondContact NH1-CE1 2.84Å; R242-H254 VanDerWaalsContact NH1-CG 3.31Å; R242-H254 PolarHBondContact NH1-ND1 3.13Å; R242-H254 PolarHBondContact NH1-NE2 2.76Å; D245-H254 IonicContact OD2-CD2 3.41Å; D245-H254 IonicContact OD2-CE1 3.01Å; D245-H254 IonicContact OD2-NE2 3.66Å; D245-H254 PolarHBondContact OD2-NE2 3.42Å; V252-H254 PolarHBondContact O-CD2 3.07Å; V252-H254 VanDerWaalsContact O-CD2 3.27Å; H254-F269 WeakPolarHBondContact O-CA 3.34Å; H254-E270 WeakPolarHBondContact CB-OE1 3.48Å; H254-E270 IonicContact CG-OE1 3.17Å; H254-E270 PolarHBondContact N-OE1 2.98Å; H254-E270 PolarHBondContact O-N 2.69Å; H254-K333 PolarHBondContact CE1-NZ 2.83Å; H254-K333 VanDerWaalsContact CG-NZ 3.32Å; H254-K333 PolarHBondContact ND1-NZ 2.81Å; H254-K333 PolarHBondContact NE2-NZ 2.77Å
255	M	98	Very high	95.4	Very high	24 Å²	24	46.8 Å²	46.8	12%	0.118	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	138	161.6	-171.8	-178.4	68.9	0	0	108.7	I235 L238 E239 N258 M267 T268 F269	I235-M255 HydrophobicContact CG1-SD 4.04Å; I235-M255 HydrophobicContact CG2-CE 4.22Å; L238-M255 HydrophobicContact CB-CB 4.48Å; L238-M255 HydrophobicContact CD1-CB 4.34Å; E239-M255 HydrophobicContact CG-CE 3.81Å; M255-N258 HydrophobicContact SD-CB 4.11Å; M255-M267 HydrophobicContact SD-CB 4.32Å; M255-M267 HydrophobicContact SD-CG 4Å; M255-M267 HydrophobicContact SD-SD 4.38Å; M255-T268 CarbonylContact C-O 3.21Å; M255-T268 VanDerWaalsContact CA-O 3.32Å; M255-T268 WeakPolarHBondContact CA-O 3.34Å; M255-T268 WeakPolarHBondContact CG-O 3.39Å; M255-F269 HydrophobicContact CB-CD1 4.02Å; M255-F269 HydrophobicContact CB-CE1 3.84Å; M255-F269 HydrophobicContact CG-CE1 4.2Å
256	L	97	Very high	95.7	Very high	71 Å²	71	46.5 Å²	46.5	37%	0.372	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-49.3	-176.2	-55.5	178.4	0	0	0	111.2	L216 T268	L216-L256 HydrophobicContact CD1-CD1 4.04Å; L216-L256 HydrophobicContact CD2-CD1 3.43Å; L216-L256 VanDerWaalsContact CD2-CD1 3.43Å; L216-L256 HydrophobicContact CG-CD1 4.35Å; L256-T268 PolarHBondContact N-O 3.32Å
257	E	97	Very high	96.2	Very high	76 Å²	76	35.2 Å²	35.2	36%	0.355	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	148.9	-179	-53.5	-89.7	-151	0	0	108.9	R189 T268	R189-E257 IonicContact CZ-OE1 3.2Å; R189-E257 IonicContact NH1-OE1 2.75Å; R189-E257 PolarHBondContact NH1-OE1 2.79Å; R189-E257 IonicContact NH2-OE1 2.83Å; R189-E257 PolarHBondContact NH2-OE1 3.41Å; E257-T268 WeakPolarHBondContact CB-OG1 3.27Å; E257-T268 PolarHBondContact N-OG1 3.32Å; E257-T268 VanDerWaalsContact N-OG1 3.1Å; E257-T268 PolarHBondContact O-N 3.15Å; E257-T268 PolarHBondContact O-OG1 3.48Å
258	N	98.2	Very high	96.7	Very high	66 Å²	66	29.1 Å²	29.1	35%	0.353	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.9	164.2	72.6	89.2	0	0	0	110.5	I235 M255 C266 M267	I235-N258 HydrophobicContact CD1-CB 3.87Å; I235-N258 HydrophobicContact CG1-CB 4.14Å; M255-N258 HydrophobicContact SD-CB 4.11Å; N258-C266 CarbonylContact C-O 3.49Å; N258-C266 VanDerWaalsContact CA-O 3.28Å; N258-C266 WeakPolarHBondContact CA-O 3.49Å; N258-M267 HydrophobicContact CB-CG 4.11Å
259	F	98.1	Very high	97.3	Very high	40 Å²	40	28.7 Å²	28.7	18%	0.175	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	174.6	-177.4	57.1	-88.7	0	0	0	110.8	A187 Y190 L218 F261 C266 T268	A187-F259 HydrophobicContact CB-CD2 3.87Å; A187-F259 HydrophobicContact CB-CE2 3.48Å; A187-F259 VanDerWaalsContact CB-CE2 3.48Å; A187-F259 HydrophobicContact CB-CZ 4.08Å; Y190-F259 HydrophobicContact CD2-CE1 4.18Å; Y190-F259 AromaticContact CD2-CZ 3.81Å; Y190-F259 HydrophobicContact CD2-CZ 3.81Å; Y190-F259 HydrophobicContact CE2-CD1 4.43Å; Y190-F259 AromaticContact CE2-CE1 3.4Å; Y190-F259 HydrophobicContact CE2-CE1 3.4Å; Y190-F259 AromaticContact CE2-CZ 3.47Å; Y190-F259 HydrophobicContact CE2-CZ 3.47Å; Y190-F259 VanDerWaalsContact CE2-CZ 3.47Å; L218-F259 HydrophobicContact CD1-CZ 4.06Å; F259-F261 HydrophobicContact CD2-CB 4.11Å; F259-F261 HydrophobicContact CE2-CB 3.92Å; F259-C266 HydrophobicContact CD1-CB 4.31Å; F259-C266 HydrophobicContact CD2-CB 3.75Å; F259-C266 HydrophobicContact CE1-CB 4.02Å; F259-C266 HydrophobicContact CE2-CB 3.41Å; F259-C266 VanDerWaalsContact CE2-CB 3.41Å; F259-C266 HydrophobicContact CG-CB 4.19Å; F259-C266 HydrophobicContact CZ-CB 3.56Å; F259-C266 PolarHBondContact N-O 3.35Å; F259-C266 PolarHBondContact O-N 3.17Å; F259-T268 HydrophobicContact CE1-CG2 4.16Å
260	T	98.1	Very high	97.6	Very high	84 Å²	84	29.1 Å²	29.1	52%	0.515	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.9	168.3	-58.9	0	0	0	0	109.6	H264	T260-H264 CarbonylContact C-O 3.55Å; T260-H264 VanDerWaalsContact CA-O 3.29Å; T260-H264 WeakPolarHBondContact CA-O 3.45Å; T260-H264 WeakPolarHBondContact CG2-O 3.3Å
261	F	97.8	Very high	97.7	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	127.7	174.6	176.9	-111.4	0	0	0	109	L186 A187 F259 N263 H264	L186-F261 HydrophobicContact CB-CD1 4.31Å; L186-F261 HydrophobicContact CB-CE1 4.28Å; L186-F261 HydrophobicContact CD2-CD1 3.91Å; L186-F261 HydrophobicContact CD2-CE1 3.61Å; A187-F261 HydrophobicContact CB-CB 4.47Å; A187-F261 HydrophobicContact CB-CD2 4.16Å; A187-F261 HydrophobicContact CB-CG 4.45Å; A187-F261 VanDerWaalsContact N-CD2 3.33Å; A187-F261 VanDerWaalsContact N-CE2 3.32Å; F259-F261 HydrophobicContact CD2-CB 4.11Å; F259-F261 HydrophobicContact CE2-CB 3.92Å; F261-N263 VanDerWaalsContact C-N 3.29Å; F261-N263 PolarHBondContact O-N 3.15Å; F261-H264 PolarHBondContact N-O 3.21Å; F261-H264 PolarHBondContact O-N 3.06Å
262	R	96.1	Very high	97.7	Very high	18 Å²	18	32.4 Å²	32.4	7%	0.068	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	50.9	-179.4	-64.8	175.7	-179.8	169.4	0.1	112.8	E139 E142 N168 Y171 Y178 H264	E139-R262 IonicContact OE1-CZ 3.89Å; E139-R262 IonicContact OE1-NH1 3.97Å; E139-R262 IonicContact OE1-NH2 3.97Å; E139-R262 PolarHBondContact OE1-NH2 2.95Å; E142-R262 WeakPolarHBondContact OE1-CG 3.26Å; E142-R262 IonicContact OE1-CZ 2.69Å; E142-R262 IonicContact OE1-NE 3.8Å; E142-R262 PolarHBondContact OE1-NE 3.01Å; E142-R262 IonicContact OE1-NH2 3.8Å; E142-R262 IonicContact OE2-CZ 2.79Å; E142-R262 IonicContact OE2-NE 3.78Å; E142-R262 PolarHBondContact OE2-NE 2.86Å; E142-R262 VanDerWaalsContact OE2-NE 3.14Å; E142-R262 IonicContact OE2-NH2 3.72Å; E142-R262 PolarHBondContact OE2-NH2 3.17Å; N168-R262 PolarHBondContact ND2-O 3.39Å; Y171-R262 HydrophobicContact CD2-CB 4.31Å; Y171-R262 HydrophobicContact CD2-CG 4.24Å; Y171-R262 HydrophobicContact CE2-CG 4.11Å; Y171-R262 PolarHBondContact OH-NE 3.32Å; Y178-R262 HydrophobicContact CE2-CB 4.19Å; Y178-R262 PolarHBondContact OH-NH1 2.9Å; R262-H264 PolarHBondContact O-CD2 3.4Å; R262-H264 PolarHBondContact O-N 3.33Å; R262-H264 VanDerWaalsContact O-N 3.17Å
263	N	96.2	Very high	97.7	Very high	93 Å²	93	33.7 Å²	33.7	50%	0.497	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	-1.6	-176.5	-60.9	-50.6	0	0	0	117.5	N168 H228 F261	N168-N263 PolarHBondContact OD1-ND2 3.2Å; H228-N263 PolarHBondContact CE1-O 2.96Å; H228-N263 PolarHBondContact NE2-O 2.93Å; F261-N263 VanDerWaalsContact C-N 3.29Å; F261-N263 PolarHBondContact O-N 3.15Å
264	H	98.1	Very high	97.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.3	172.7	-61.9	-85.3	0	0	0	112.4	D172 G176 Y178 M220 V221 T260 F261 R262	D172-H264 IonicContact OD1-CE1 3.85Å; D172-H264 IonicContact OD1-NE2 3.62Å; D172-H264 PolarHBondContact OD1-NE2 2.96Å; D172-H264 IonicContact OD2-CE1 2.98Å; D172-H264 IonicContact OD2-NE2 3.62Å; G176-H264 PolarHBondContact O-CE1 2.94Å; Y178-H264 AromaticContact CD2-CD2 3.56Å; Y178-H264 AromaticContact CD2-NE2 3.54Å; M220-H264 HydrophobicContact CG-CB 3.61Å; M220-H264 HydrophobicContact SD-CB 3.97Å; V221-H264 PolarHBondContact O-ND1 3.26Å; T260-H264 CarbonylContact C-O 3.55Å; T260-H264 VanDerWaalsContact CA-O 3.29Å; T260-H264 WeakPolarHBondContact CA-O 3.45Å; T260-H264 WeakPolarHBondContact CG2-O 3.3Å; F261-H264 PolarHBondContact N-O 3.21Å; F261-H264 PolarHBondContact O-N 3.06Å; R262-H264 PolarHBondContact O-CD2 3.4Å; R262-H264 PolarHBondContact O-N 3.33Å; R262-H264 VanDerWaalsContact O-N 3.17Å
265	I	98.4	Very high	97.7	Very high	15 Å²	15	36 Å²	36	8%	0.077	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.9	164.3	-59.2	-178	0	0	0	108.6	V221 H228 A231 Q232 I235	V221-I265 HydrophobicContact CB-CB 4.25Å; V221-I265 WeakPolarHBondContact CB-O 3.36Å; V221-I265 HydrophobicContact CG2-CB 4.3Å; V221-I265 VanDerWaalsContact CG2-O 3.32Å; V221-I265 WeakPolarHBondContact CG2-O 3.37Å; V221-I265 PolarHBondContact N-O 3.45Å; H228-I265 HydrophobicContact CB-CD1 3.92Å; A231-I265 HydrophobicContact CB-CB 4.37Å; A231-I265 HydrophobicContact CB-CD1 4.19Å; A231-I265 HydrophobicContact CB-CG2 4.05Å; Q232-I265 HydrophobicContact CG-CD1 4.35Å; I235-I265 HydrophobicContact CD1-CG2 3.97Å
266	C	98.5	Very high	97.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.6	-178.6	-69	0	0	0	0	110.2	L218 K219 N258 F259	L218-C266 HydrophobicContact CD2-CB 4.47Å; K219-C266 WeakPolarHBondContact O-CA 3.36Å; N258-C266 CarbonylContact C-O 3.49Å; N258-C266 VanDerWaalsContact CA-O 3.28Å; N258-C266 WeakPolarHBondContact CA-O 3.49Å; F259-C266 HydrophobicContact CD1-CB 4.31Å; F259-C266 HydrophobicContact CD2-CB 3.75Å; F259-C266 HydrophobicContact CE1-CB 4.02Å; F259-C266 HydrophobicContact CE2-CB 3.41Å; F259-C266 VanDerWaalsContact CE2-CB 3.41Å; F259-C266 HydrophobicContact CG-CB 4.19Å; F259-C266 HydrophobicContact CZ-CB 3.56Å; F259-C266 PolarHBondContact N-O 3.35Å; F259-C266 PolarHBondContact O-N 3.17Å
267	M	98.7	Very high	97.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.3	174.7	-68.6	167.3	-83.4	0	0	109.1	L218 K219 V221 A231 E234 I235 M255 N258 F269	L218-M267 CarbonylContact C-O 3.55Å; L218-M267 WeakPolarHBondContact CA-O 3.27Å; K219-M267 HydrophobicContact CD-CE 3.95Å; K219-M267 HydrophobicContact CG-CE 4.24Å; K219-M267 PolarHBondContact N-O 3.27Å; K219-M267 PolarHBondContact O-N 2.93Å; V221-M267 HydrophobicContact CG2-CE 3.57Å; A231-M267 HydrophobicContact CB-CE 4.06Å; E234-M267 HydrophobicContact CG-SD 4.1Å; I235-M267 HydrophobicContact CD1-CG 4.06Å; I235-M267 HydrophobicContact CD1-SD 4.17Å; I235-M267 HydrophobicContact CG1-CG 3.85Å; I235-M267 HydrophobicContact CG1-SD 3.61Å; M255-M267 HydrophobicContact SD-CB 4.32Å; M255-M267 HydrophobicContact SD-CG 4Å; M255-M267 HydrophobicContact SD-SD 4.38Å; N258-M267 HydrophobicContact CB-CG 4.11Å; M267-F269 HydrophobicContact CB-CD2 4.43Å; M267-F269 HydrophobicContact CB-CE2 3.51Å; M267-F269 HydrophobicContact CB-CZ 3.78Å; M267-F269 HydrophobicContact SD-CZ 4.22Å
268	T	98.6	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	145.8	174	60.7	0	0	0	0	111.2	Y190 A217 L218 M255 L256 E257 F259	Y190-T268 HydrophobicContact CD1-CG2 4.45Å; Y190-T268 HydrophobicContact CE1-CG2 3.87Å; Y190-T268 HydrophobicContact CE2-CG2 4.36Å; A217-T268 CarbonylContact O-C 3.54Å; A217-T268 WeakPolarHBondContact O-CA 3.15Å; L218-T268 HydrophobicContact CB-CG2 4.27Å; L218-T268 HydrophobicContact CD1-CG2 3.95Å; L218-T268 HydrophobicContact CG-CG2 4.04Å; M255-T268 CarbonylContact C-O 3.21Å; M255-T268 VanDerWaalsContact CA-O 3.32Å; M255-T268 WeakPolarHBondContact CA-O 3.34Å; M255-T268 WeakPolarHBondContact CG-O 3.39Å; L256-T268 PolarHBondContact N-O 3.32Å; E257-T268 WeakPolarHBondContact CB-OG1 3.27Å; E257-T268 PolarHBondContact N-OG1 3.32Å; E257-T268 VanDerWaalsContact N-OG1 3.1Å; E257-T268 PolarHBondContact O-N 3.15Å; E257-T268 PolarHBondContact O-OG1 3.48Å; F259-T268 HydrophobicContact CE1-CG2 4.16Å
269	F	98.5	Very high	97.8	Very high	15 Å²	15	33.3 Å²	33.3	7%	0.066	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.2	-175.2	-58.8	-91	0	0	0	110.4	A217 K219 L238 V253 H254 M255 M267 L271	A217-F269 HydrophobicContact CB-CB 4.37Å; A217-F269 PolarHBondContact N-O 3.14Å; A217-F269 PolarHBondContact O-N 2.82Å; K219-F269 HydrophobicContact CB-CD2 4.46Å; K219-F269 HydrophobicContact CB-CE2 3.8Å; K219-F269 HydrophobicContact CD-CE2 4.4Å; L238-F269 HydrophobicContact CD1-CE1 3.79Å; L238-F269 HydrophobicContact CD1-CZ 4.22Å; V253-F269 HydrophobicContact CG1-CD1 3.99Å; V253-F269 HydrophobicContact CG1-CE1 4.05Å; V253-F269 HydrophobicContact CG2-CB 4.15Å; V253-F269 HydrophobicContact CG2-CD1 3.77Å; V253-F269 HydrophobicContact CG2-CG 4.31Å; H254-F269 WeakPolarHBondContact O-CA 3.34Å; M255-F269 HydrophobicContact CB-CD1 4.02Å; M255-F269 HydrophobicContact CB-CE1 3.84Å; M255-F269 HydrophobicContact CG-CE1 4.2Å; M267-F269 HydrophobicContact CB-CD2 4.43Å; M267-F269 HydrophobicContact CB-CE2 3.51Å; M267-F269 HydrophobicContact CB-CZ 3.78Å; M267-F269 HydrophobicContact SD-CZ 4.22Å; F269-L271 PolarHBondContact O-N 3.3Å
270	E	97.1	Very high	97.8	Very high	49 Å²	49	31.4 Å²	31.4	23%	0.229	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	137.7	164.5	77.7	-162.1	115.3	0	0	110.8	V253 H254 L272 K333	V253-E270 HydrophobicContact CG2-CG 4.38Å; H254-E270 WeakPolarHBondContact CB-OE1 3.48Å; H254-E270 IonicContact CG-OE1 3.17Å; H254-E270 PolarHBondContact N-OE1 2.98Å; H254-E270 PolarHBondContact O-N 2.69Å; E270-L272 HydrophobicContact CG-CD2 3.81Å; E270-L272 HydrophobicContact CG-CG 3.97Å; E270-L272 PolarHBondContact O-N 3.41Å; E270-K333 VanDerWaalsContact OE1-CD 3.24Å; E270-K333 WeakPolarHBondContact OE1-CD 3.35Å; E270-K333 IonicContact OE1-NZ 2.97Å; E270-K333 PolarHBondContact OE1-NZ 3.09Å; E270-K333 WeakPolarHBondContact OE2-CE 3.4Å; E270-K333 IonicContact OE2-NZ 3.26Å; E270-K333 PolarHBondContact OE2-NZ 3.31Å
271	L	97.9	Very high	97.9	Very high	64 Å²	64	32 Å²	32	34%	0.335	16%	0.156	S	C	.	.			trans	-81.4	108.2	178.2	-175.2	63.7	0	0	0	110.6	I196 K206 H215 A217 F269	I196-L271 HydrophobicContact CD1-CD1 3.93Å; K206-L271 HydrophobicContact CD-CD2 4.04Å; K206-L271 HydrophobicContact CG-CD1 4.47Å; K206-L271 HydrophobicContact CG-CD2 3.98Å; H215-L271 HydrophobicContact CB-CD2 3.79Å; H215-L271 WeakPolarHBondContact O-CB 3.37Å; A217-L271 HydrophobicContact CB-CD1 4.09Å; F269-L271 PolarHBondContact O-N 3.3Å
272	L	97.6	Very high	97.8	Very high	26 Å²	26	39.4 Å²	39.4	14%	0.136	18%	0.184	C	C	.	.			trans	-88.8	176.8	176	-59.2	173.9	0	0	0	112	V253 E270 L323 K333 I335	V253-L272 HydrophobicContact CG2-CD1 4.17Å; E270-L272 HydrophobicContact CG-CD2 3.81Å; E270-L272 HydrophobicContact CG-CG 3.97Å; E270-L272 PolarHBondContact O-N 3.41Å; L272-L323 HydrophobicContact CB-CB 3.96Å; L272-L323 HydrophobicContact CB-CD2 3.87Å; L272-L323 HydrophobicContact CD1-CB 3.91Å; L272-L323 HydrophobicContact CD1-CD2 4.31Å; L272-K333 HydrophobicContact CD1-CB 3.94Å; L272-K333 HydrophobicContact CD2-CD 4.23Å; L272-I335 HydrophobicContact CD1-CG2 3.9Å
273	S	97.1	Very high	97.9	Very high	31 Å²	31	41.6 Å²	41.6	22%	0.217	20%	0.197	C	C	.	.			trans	-93.9	-163.2	175.4	-163.1	0	0	0	0	111.5	L323 L324	S273-L323 WeakPolarHBondContact O-CD2 3.33Å; S273-L323 WeakPolarHBondContact O-CG 3.34Å; S273-L324 WeakPolarHBondContact CA-O 3.16Å; S273-L324 VanDerWaalsContact CB-O 3.3Å; S273-L324 WeakPolarHBondContact CB-O 3.3Å; S273-L324 PolarHBondContact N-O 3.26Å
274	M	96.4	Very high	98	Very high	48 Å²	48	44.9 Å²	44.9	24%	0.236	21%	0.207	C	C	.	.			trans	-60	152.5	-177.2	63.5	-168.1	68.6	0	0	113.8	E278 L279 L324	M274-E278 HydrophobicContact CB-CB 4.35Å; M274-L279 HydrophobicContact SD-CD1 4.19Å; M274-L324 HydrophobicContact CG-CD1 4.05Å; M274-L324 PolarHBondContact O-N 3.04Å
275	N	98.1	Very high	98	Very high	36 Å²	36	47.9 Å²	47.9	19%	0.193	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-75.2	167.6	172.3	68	37.4	0	0	0	112.3	Y277 E278 L279 E320 I322 L323	N275-Y277 VanDerWaalsContact C-N 3.31Å; N275-Y277 PolarHBondContact O-N 2.98Å; N275-Y277 WeakPolarHBondContact OD1-CB 3.42Å; N275-Y277 PolarHBondContact OD1-N 2.8Å; N275-E278 PolarHBondContact O-N 3.28Å; N275-E278 PolarHBondContact OD1-N 3.17Å; N275-L279 PolarHBondContact O-N 3.27Å; N275-L279 VanDerWaalsContact O-N 3.1Å; N275-E320 VanDerWaalsContact CB-O 3.22Å; N275-E320 WeakPolarHBondContact CB-O 3.35Å; N275-I322 CarbonylContact C-O 3.48Å; N275-I322 VanDerWaalsContact CA-O 3.24Å; N275-I322 WeakPolarHBondContact CA-O 3.42Å; N275-L323 HydrophobicContact CB-CD1 3.61Å; N275-L323 HydrophobicContact CB-CG 4.04Å
276	L	98.6	Very high	98	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-69.7	-26	-178.1	-65.5	-173.8	0	0	0	113.1	L279 I280 F296 P319 I322 L324 I332 L383	L276-L279 HydrophobicContact CD2-CD2 3.93Å; L276-L279 WeakPolarHBondContact O-CB 3.29Å; L276-L279 PolarHBondContact O-N 3.37Å; L276-I280 VanDerWaalsContact O-CG1 3.29Å; L276-I280 WeakPolarHBondContact O-CG1 3.3Å; L276-I280 PolarHBondContact O-N 3.03Å; L276-F296 HydrophobicContact CD1-CD1 4.49Å; L276-F296 HydrophobicContact CD1-CG 4.46Å; L276-F296 HydrophobicContact CD2-CD1 4.23Å; L276-F296 HydrophobicContact CD2-CE1 3.8Å; L276-F296 HydrophobicContact CD2-CE2 4.25Å; L276-F296 HydrophobicContact CD2-CZ 3.81Å; L276-P319 HydrophobicContact CB-CB 4.11Å; L276-P319 PolarHBondContact N-O 3.22Å; L276-I322 HydrophobicContact CD1-CB 3.89Å; L276-I322 HydrophobicContact CD1-CD1 4.32Å; L276-I322 HydrophobicContact CD1-CG2 3.54Å; L276-I322 HydrophobicContact CG-CB 4.07Å; L276-I322 HydrophobicContact CG-CG2 3.91Å; L276-I322 PolarHBondContact N-O 3.33Å; L276-L324 HydrophobicContact CD2-CD2 3.99Å; L276-I332 HydrophobicContact CD2-CG2 4.27Å; L276-L383 HydrophobicContact CB-CD2 4.18Å; L276-L383 HydrophobicContact CD1-CD1 4.17Å; L276-L383 HydrophobicContact CD1-CD2 4.06Å
277	Y	98.3	Very high	98	Very high	75 Å²	75	54.5 Å²	54.5	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-64.6	-50.3	173.4	-178.2	-105.8	0	0	0	112	N275 L279 I280 K281 P319 E320	N275-Y277 VanDerWaalsContact C-N 3.31Å; N275-Y277 PolarHBondContact O-N 2.98Å; N275-Y277 WeakPolarHBondContact OD1-CB 3.42Å; N275-Y277 PolarHBondContact OD1-N 2.8Å; Y277-L279 PolarHBondContact O-N 3.49Å; Y277-I280 WeakPolarHBondContact O-CB 3.49Å; Y277-I280 PolarHBondContact O-N 2.82Å; Y277-I280 VanDerWaalsContact O-N 3.1Å; Y277-K281 WeakPolarHBondContact O-CB 3.49Å; Y277-K281 PolarHBondContact O-N 3.37Å; Y277-P319 PolarHBondContact N-O 2.72Å; Y277-E320 HydrophobicContact CG-CG 4.37Å
278	E	98.1	Very high	98	Very high	73 Å²	73	55.5 Å²	55.5	34%	0.341	26%	0.258	S	S	.	.	H	α-helix	trans	-64.5	-27.1	175	-70.9	-61.4	144.3	0	0	111.7	M274 N275 K281 R282	M274-E278 HydrophobicContact CB-CB 4.35Å; N275-E278 PolarHBondContact O-N 3.28Å; N275-E278 PolarHBondContact OD1-N 3.17Å; E278-K281 IonicContact OE1-NZ 3.91Å; E278-K281 PolarHBondContact OE1-NZ 3.38Å; E278-K281 WeakPolarHBondContact OE2-CD 3.26Å; E278-K281 IonicContact OE2-NZ 3.63Å; E278-K281 PolarHBondContact OE2-NZ 3.08Å; E278-R282 WeakPolarHBondContact O-CB 3.05Å; E278-R282 PolarHBondContact O-N 3.21Å
279	L	98.3	Very high	97.9	Very high	31 Å²	31	59.1 Å²	59.1	16%	0.162	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-43.2	170.2	-168.3	67.2	0	0	0	112.4	M274 N275 L276 Y277 R282 N283 F288 F296 L324	M274-L279 HydrophobicContact SD-CD1 4.19Å; N275-L279 PolarHBondContact O-N 3.27Å; N275-L279 VanDerWaalsContact O-N 3.1Å; L276-L279 HydrophobicContact CD2-CD2 3.93Å; L276-L279 WeakPolarHBondContact O-CB 3.29Å; L276-L279 PolarHBondContact O-N 3.37Å; Y277-L279 PolarHBondContact O-N 3.49Å; L279-R282 PolarHBondContact O-N 2.88Å; L279-N283 WeakPolarHBondContact O-CB 3.07Å; L279-N283 PolarHBondContact O-N 3.06Å; L279-F288 HydrophobicContact CB-CZ 4.26Å; L279-F288 HydrophobicContact CD2-CE2 4.36Å; L279-F288 HydrophobicContact CD2-CZ 3.93Å; L279-F288 HydrophobicContact CG-CE1 4.28Å; L279-F288 HydrophobicContact CG-CZ 3.71Å; L279-F296 HydrophobicContact CD2-CE2 4.21Å; L279-F296 HydrophobicContact CD2-CZ 3.78Å; L279-L324 HydrophobicContact CD1-CD1 4.16Å; L279-L324 HydrophobicContact CD2-CD1 4.22Å; L279-L324 HydrophobicContact CD2-CD2 4.29Å
280	I	98.5	Very high	97.8	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-47.1	175	-67.9	158.7	0	0	0	110.2	L276 Y277 N283 K284 F285 F288 E382 L383	L276-I280 VanDerWaalsContact O-CG1 3.29Å; L276-I280 WeakPolarHBondContact O-CG1 3.3Å; L276-I280 PolarHBondContact O-N 3.03Å; Y277-I280 WeakPolarHBondContact O-CB 3.49Å; Y277-I280 PolarHBondContact O-N 2.82Å; Y277-I280 VanDerWaalsContact O-N 3.1Å; I280-N283 CarbonylContact O-C 3.52Å; I280-N283 VanDerWaalsContact O-C 3.25Å; I280-N283 WeakPolarHBondContact O-CA 3.35Å; I280-N283 PolarHBondContact O-N 3.28Å; I280-N283 VanDerWaalsContact O-N 3.12Å; I280-K284 PolarHBondContact O-N 3.26Å; I280-F285 HydrophobicContact CG2-CD1 3.7Å; I280-F285 HydrophobicContact CG2-CE1 4.28Å; I280-F285 HydrophobicContact CG2-CG 4.44Å; I280-F285 PolarHBondContact O-N 3.1Å; I280-F288 HydrophobicContact CG1-CE2 3.62Å; I280-F288 HydrophobicContact CG1-CZ 3.98Å; I280-E382 HydrophobicContact CD1-CG 3.94Å; I280-L383 HydrophobicContact CD1-CD2 4.08Å; I280-L383 HydrophobicContact CG1-CD2 4.25Å
281	K	98.3	Very high	97.8	Very high	95 Å²	95	61.4 Å²	61.4	41%	0.413	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-42.3	178	179.6	176.6	160.6	-152.5	0	112.3	Y277 E278 N283 K284 F285	Y277-K281 WeakPolarHBondContact O-CB 3.49Å; Y277-K281 PolarHBondContact O-N 3.37Å; E278-K281 IonicContact OE1-NZ 3.91Å; E278-K281 PolarHBondContact OE1-NZ 3.38Å; E278-K281 WeakPolarHBondContact OE2-CD 3.26Å; E278-K281 IonicContact OE2-NZ 3.63Å; E278-K281 PolarHBondContact OE2-NZ 3.08Å; K281-N283 PolarHBondContact O-N 2.98Å; K281-K284 WeakPolarHBondContact O-CA 3.44Å; K281-K284 PolarHBondContact O-N 3.3Å; K281-F285 HydrophobicContact CB-CE1 4.23Å; K281-F285 HydrophobicContact CB-CE2 4.32Å; K281-F285 HydrophobicContact CB-CZ 3.81Å; K281-F285 HydrophobicContact CD-CZ 4.47Å; K281-F285 HydrophobicContact CG-CE2 4.12Å; K281-F285 HydrophobicContact CG-CZ 3.84Å
282	R	97.4	Very high	97.8	Very high	157 Å²	157	60.7 Å²	60.7	59%	0.592	30%	0.298	S	S	*	.	H	α-helix	trans	-61.7	-32.2	172.4	-175.5	174.8	-176.5	162.1	6.8	112.1	E278 L279 K284	E278-R282 WeakPolarHBondContact O-CB 3.05Å; E278-R282 PolarHBondContact O-N 3.21Å; L279-R282 PolarHBondContact O-N 2.88Å; R282-K284 PolarHBondContact O-N 2.99Å
283	N	97.5	Very high	97.8	Very high	64 Å²	64	59.5 Å²	59.5	34%	0.342	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	20	171.1	-164	48.2	0	0	0	113.3	L279 I280 K281 F285 Q286 G287 F288	L279-N283 WeakPolarHBondContact O-CB 3.07Å; L279-N283 PolarHBondContact O-N 3.06Å; I280-N283 CarbonylContact O-C 3.52Å; I280-N283 VanDerWaalsContact O-C 3.25Å; I280-N283 WeakPolarHBondContact O-CA 3.35Å; I280-N283 PolarHBondContact O-N 3.28Å; I280-N283 VanDerWaalsContact O-N 3.12Å; K281-N283 PolarHBondContact O-N 2.98Å; N283-F285 PolarHBondContact O-N 3.17Å; N283-F285 VanDerWaalsContact O-N 3.08Å; N283-Q286 WeakPolarHBondContact O-CB 3.18Å; N283-Q286 WeakPolarHBondContact O-CG 3.5Å; N283-Q286 PolarHBondContact O-N 3.46Å; N283-G287 PolarHBondContact ND2-O 3.25Å; N283-F288 HydrophobicContact CB-CE1 3.71Å; N283-F288 HydrophobicContact CB-CZ 4.33Å
284	K	98.3	Very high	97.8	Very high	163 Å²	163	60.8 Å²	60.8	71%	0.709	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	36.6	175.2	-55.4	-177	-179.3	-177.1	0	113.9	I280 K281 R282 Q286	I280-K284 PolarHBondContact O-N 3.26Å; K281-K284 WeakPolarHBondContact O-CA 3.44Å; K281-K284 PolarHBondContact O-N 3.3Å; R282-K284 PolarHBondContact O-N 2.99Å; K284-Q286 HydrophobicContact CB-CG 4.38Å; K284-Q286 PolarHBondContact O-N 3.21Å; K284-Q286 PolarHBondContact O-NE2 3.01Å
285	F	98.3	Very high	97.9	Very high	62 Å²	62	64.2 Å²	64.2	27%	0.272	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	23.9	-179.2	-50.7	-87.1	0	0	0	114.4	I280 K281 N283 G287 G386 Y387	I280-F285 HydrophobicContact CG2-CD1 3.7Å; I280-F285 HydrophobicContact CG2-CE1 4.28Å; I280-F285 HydrophobicContact CG2-CG 4.44Å; I280-F285 PolarHBondContact O-N 3.1Å; K281-F285 HydrophobicContact CB-CE1 4.23Å; K281-F285 HydrophobicContact CB-CE2 4.32Å; K281-F285 HydrophobicContact CB-CZ 3.81Å; K281-F285 HydrophobicContact CD-CZ 4.47Å; K281-F285 HydrophobicContact CG-CE2 4.12Å; K281-F285 HydrophobicContact CG-CZ 3.84Å; N283-F285 PolarHBondContact O-N 3.17Å; N283-F285 VanDerWaalsContact O-N 3.08Å; F285-G287 PolarHBondContact O-N 2.74Å; F285-G386 WeakPolarHBondContact CD1-O 3.44Å; F285-Y387 HydrophobicContact CB-CE2 3.82Å; F285-Y387 VanDerWaalsContact O-CE2 3.3Å; F285-Y387 WeakPolarHBondContact O-CE2 3.42Å
286	Q	98.3	Very high	97.9	Very high	144 Å²	144	62.7 Å²	62.7	67%	0.673	30%	0.297	S	S	*	.			trans	-75.1	-10.6	178.5	-61.7	-55.8	-62.2	0	0	113.5	N283 K284	N283-Q286 WeakPolarHBondContact O-CB 3.18Å; N283-Q286 WeakPolarHBondContact O-CG 3.5Å; N283-Q286 PolarHBondContact O-N 3.46Å; K284-Q286 HydrophobicContact CB-CG 4.38Å; K284-Q286 PolarHBondContact O-N 3.21Å; K284-Q286 PolarHBondContact O-NE2 3.01Å
287	G	98.3	Very high	97.9	Very high	11 Å²	11	62.7 Å²	62.7	11%	0.113	30%	0.297	C	S	.	.			trans	78.1	167.3	-173.2	0	0	0	0	0	113.4	N283 F285 L384	N283-G287 PolarHBondContact ND2-O 3.25Å; F285-G287 PolarHBondContact O-N 2.74Å; G287-L384 WeakPolarHBondContact CA-O 3.37Å
288	F	98.4	Very high	97.9	Very high	20 Å²	20	62.2 Å²	62.2	9%	0.088	30%	0.297	C	S	.	.			trans	-109.7	150.2	-179	-58.7	-53.2	0	0	0	111.9	L279 I280 N283 L292 V293 F296 L383 L384	L279-F288 HydrophobicContact CB-CZ 4.26Å; L279-F288 HydrophobicContact CD2-CE2 4.36Å; L279-F288 HydrophobicContact CD2-CZ 3.93Å; L279-F288 HydrophobicContact CG-CE1 4.28Å; L279-F288 HydrophobicContact CG-CZ 3.71Å; I280-F288 HydrophobicContact CG1-CE2 3.62Å; I280-F288 HydrophobicContact CG1-CZ 3.98Å; N283-F288 HydrophobicContact CB-CE1 3.71Å; N283-F288 HydrophobicContact CB-CZ 4.33Å; F288-L292 HydrophobicContact CB-CB 4.45Å; F288-L292 HydrophobicContact CB-CD2 4.11Å; F288-L292 HydrophobicContact CB-CG 4.41Å; F288-L292 HydrophobicContact CD1-CD2 4.01Å; F288-L292 HydrophobicContact CG-CD2 4.08Å; F288-V293 HydrophobicContact CB-CG2 3.99Å; F288-F296 HydrophobicContact CD2-CE2 4.43Å; F288-L383 WeakPolarHBondContact CB-O 3.4Å; F288-L383 HydrophobicContact CD2-CB 4.14Å; F288-L383 HydrophobicContact CD2-CD2 3.81Å; F288-L383 WeakPolarHBondContact CD2-O 3.2Å; F288-L383 HydrophobicContact CE2-CD2 3.64Å; F288-L383 PolarHBondContact N-O 2.85Å; F288-L384 PolarHBondContact N-O 2.81Å; F288-L384 WeakPolarHBondContact O-CD1 3.14Å
289	S	97.8	Very high	97.8	Very high	76 Å²	76	59.7 Å²	59.7	53%	0.531	29%	0.288	S	S	.	.			trans	-61.5	142	175	66.6	0	0	0	0	111.5	P291 L292 V293	S289-P291 VanDerWaalsContact C-N 3.27Å; S289-P291 VanDerWaalsContact O-N 3.11Å; S289-L292 WeakPolarHBondContact O-CA 3.43Å; S289-L292 WeakPolarHBondContact O-CB 3.33Å; S289-L292 PolarHBondContact O-N 3.19Å; S289-V293 PolarHBondContact O-N 3.08Å
290	L	96.5	Very high	97.9	Very high	36 Å²	36	58.2 Å²	58.2	19%	0.188	28%	0.28	C	S	.	.	H	α-helix	trans	-48.2	-38.5	178.7	-79.9	172.1	0	0	0	114.3	L292 V293 R294 L384 D473 F476	L290-L292 VanDerWaalsContact C-N 3.31Å; L290-L292 PolarHBondContact O-N 3.13Å; L290-V293 PolarHBondContact O-N 2.94Å; L290-R294 VanDerWaalsContact O-CB 3.26Å; L290-R294 WeakPolarHBondContact O-CB 3.39Å; L290-R294 PolarHBondContact O-N 2.89Å; L290-L384 HydrophobicContact CD2-CD1 3.88Å; L290-L384 HydrophobicContact CD2-CD2 4.14Å; L290-L384 HydrophobicContact CG-CD1 3.95Å; L290-D473 HydrophobicContact CD1-CB 3.66Å; L290-F476 HydrophobicContact CD2-CB 4.22Å; L290-F476 HydrophobicContact CD2-CD1 3.83Å; L290-F476 HydrophobicContact CD2-CD2 4.17Å; L290-F476 HydrophobicContact CD2-CE1 4.23Å; L290-F476 HydrophobicContact CD2-CG 3.78Å
291	P	96.4	Very high	97.9	Very high	76 Å²	76	58.1 Å²	58.1	49%	0.494	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-32.7	173.5	-25.7	36.4	0	0	0	114.7	S289 K295	S289-P291 VanDerWaalsContact C-N 3.27Å; S289-P291 VanDerWaalsContact O-N 3.11Å; P291-K295 WeakPolarHBondContact O-CG 3.24Å; P291-K295 PolarHBondContact O-N 3.44Å
292	L	97.2	Very high	97.8	Very high	50 Å²	50	56.6 Å²	56.6	26%	0.262	27%	0.274	S	S	.	.	H	α-helix	trans	-77.8	-42.9	175.1	-179.4	56.7	0	0	0	111.1	F288 S289 L290 R294 K295 F296	F288-L292 HydrophobicContact CB-CB 4.45Å; F288-L292 HydrophobicContact CB-CD2 4.11Å; F288-L292 HydrophobicContact CB-CG 4.41Å; F288-L292 HydrophobicContact CD1-CD2 4.01Å; F288-L292 HydrophobicContact CG-CD2 4.08Å; S289-L292 WeakPolarHBondContact O-CA 3.43Å; S289-L292 WeakPolarHBondContact O-CB 3.33Å; S289-L292 PolarHBondContact O-N 3.19Å; L290-L292 VanDerWaalsContact C-N 3.31Å; L290-L292 PolarHBondContact O-N 3.13Å; L292-R294 VanDerWaalsContact C-N 3.25Å; L292-R294 PolarHBondContact O-N 2.84Å; L292-K295 WeakPolarHBondContact O-CB 3.48Å; L292-K295 PolarHBondContact O-N 3.24Å; L292-K295 VanDerWaalsContact O-N 3.08Å; L292-F296 HydrophobicContact CD1-CD2 4.23Å; L292-F296 HydrophobicContact CD1-CE2 3.71Å; L292-F296 HydrophobicContact CD1-CZ 3.9Å; L292-F296 HydrophobicContact CD2-CE2 4.12Å; L292-F296 HydrophobicContact CG-CD2 4.1Å; L292-F296 HydrophobicContact CG-CE2 3.63Å; L292-F296 HydrophobicContact CG-CZ 4.29Å; L292-F296 WeakPolarHBondContact O-CD2 3.46Å; L292-F296 PolarHBondContact O-N 2.77Å
293	V	98.5	Very high	97.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-55.8	-42.7	172.5	-178.3	0	0	0	0	110.6	F288 S289 L290 K295 F296 A297 L380 L383 L384 F476 W502	F288-V293 HydrophobicContact CB-CG2 3.99Å; S289-V293 PolarHBondContact O-N 3.08Å; L290-V293 PolarHBondContact O-N 2.94Å; V293-K295 PolarHBondContact O-N 2.9Å; V293-F296 PolarHBondContact O-N 2.97Å; V293-A297 WeakPolarHBondContact O-CB 3.21Å; V293-A297 PolarHBondContact O-N 2.84Å; V293-L380 HydrophobicContact CG1-CB 4.3Å; V293-L380 HydrophobicContact CG1-CD2 4.11Å; V293-L383 HydrophobicContact CG1-CB 4.35Å; V293-L383 HydrophobicContact CG2-CB 4.18Å; V293-L384 HydrophobicContact CG2-CB 4.21Å; V293-F476 HydrophobicContact CG1-CE2 4.34Å; V293-F476 HydrophobicContact CG1-CZ 4.47Å; V293-W502 HydrophobicContact CG1-CH2 4.29Å; V293-W502 HydrophobicContact CG1-CZ2 4.38Å
294	R	97.4	Very high	98	Very high	59 Å²	59	46.3 Å²	46.3	22%	0.223	23%	0.231	C	C	.	.	H	α-helix	trans	-62.1	-38.1	175.7	-170.7	-177.9	-69.4	105.9	1.2	113.2	L290 L292 A297 H298 D473 W502 L503	L290-R294 VanDerWaalsContact O-CB 3.26Å; L290-R294 WeakPolarHBondContact O-CB 3.39Å; L290-R294 PolarHBondContact O-N 2.89Å; L292-R294 VanDerWaalsContact C-N 3.25Å; L292-R294 PolarHBondContact O-N 2.84Å; R294-A297 PolarHBondContact O-N 2.92Å; R294-H298 PolarHBondContact O-N 3.49Å; R294-D473 IonicContact NH2-OD2 3.66Å; R294-W502 HydrophobicContact CB-CH2 4.25Å; R294-W502 HydrophobicContact CB-CZ2 3.85Å; R294-W502 WeakPolarHBondContact CD-O 3.11Å; R294-W502 HydrophobicContact CG-CZ2 4.29Å; R294-W502 PolarHBondContact NE-O 2.79Å; R294-W502 VanDerWaalsContact NH2-CD1 3.34Å; R294-L503 HydrophobicContact CG-CD2 3.76Å
295	K	97	Very high	97.9	Very high	120 Å²	120	40 Å²	40	52%	0.522	20%	0.204	S	C	.	.	H	α-helix	trans	-65.2	-46.8	174.7	-75.6	177.2	-179.2	-178.5	0	111.5	P291 L292 V293 H298 S299	P291-K295 WeakPolarHBondContact O-CG 3.24Å; P291-K295 PolarHBondContact O-N 3.44Å; L292-K295 WeakPolarHBondContact O-CB 3.48Å; L292-K295 PolarHBondContact O-N 3.24Å; L292-K295 VanDerWaalsContact O-N 3.08Å; V293-K295 PolarHBondContact O-N 2.9Å; K295-H298 PolarHBondContact O-N 3.48Å; K295-S299 PolarHBondContact O-N 3.26Å; K295-S299 VanDerWaalsContact O-N 3.12Å; K295-S299 PolarHBondContact O-OG 2.88Å
296	F	98.5	Very high	97.9	Very high	3 Å²	3	37 Å²	37	1%	0.013	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-44.2	174.6	-67.9	-47.7	0	0	0	111.4	L276 L279 F288 L292 V293 H298 S299 I300 L324 I332 L383	L276-F296 HydrophobicContact CD1-CD1 4.49Å; L276-F296 HydrophobicContact CD1-CG 4.46Å; L276-F296 HydrophobicContact CD2-CD1 4.23Å; L276-F296 HydrophobicContact CD2-CE1 3.8Å; L276-F296 HydrophobicContact CD2-CE2 4.25Å; L276-F296 HydrophobicContact CD2-CZ 3.81Å; L279-F296 HydrophobicContact CD2-CE2 4.21Å; L279-F296 HydrophobicContact CD2-CZ 3.78Å; F288-F296 HydrophobicContact CD2-CE2 4.43Å; L292-F296 HydrophobicContact CD1-CD2 4.23Å; L292-F296 HydrophobicContact CD1-CE2 3.71Å; L292-F296 HydrophobicContact CD1-CZ 3.9Å; L292-F296 HydrophobicContact CD2-CE2 4.12Å; L292-F296 HydrophobicContact CG-CD2 4.1Å; L292-F296 HydrophobicContact CG-CE2 3.63Å; L292-F296 HydrophobicContact CG-CZ 4.29Å; L292-F296 WeakPolarHBondContact O-CD2 3.46Å; L292-F296 PolarHBondContact O-N 2.77Å; V293-F296 PolarHBondContact O-N 2.97Å; F296-H298 PolarHBondContact O-N 3.28Å; F296-S299 PolarHBondContact O-N 3.16Å; F296-S299 VanDerWaalsContact O-N 3.14Å; F296-I300 HydrophobicContact CB-CD1 4.37Å; F296-I300 WeakPolarHBondContact O-CD1 3.36Å; F296-I300 VanDerWaalsContact O-CG1 3.23Å; F296-I300 WeakPolarHBondContact O-CG1 3.31Å; F296-I300 PolarHBondContact O-N 2.86Å; F296-L324 HydrophobicContact CE1-CD2 3.81Å; F296-L324 HydrophobicContact CZ-CD2 4.13Å; F296-I332 HydrophobicContact CD1-CG2 3.81Å; F296-I332 HydrophobicContact CE1-CG2 3.81Å; F296-L383 HydrophobicContact CB-CD1 4.11Å; F296-L383 HydrophobicContact CD2-CD1 4.24Å; F296-L383 HydrophobicContact CD2-CD2 4.48Å
297	A	98.6	Very high	97.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-55.5	-49.4	178	0	0	0	0	0	112.5	V293 R294 S299 I300 L301 F376 L380 W502 L503	V293-A297 WeakPolarHBondContact O-CB 3.21Å; V293-A297 PolarHBondContact O-N 2.84Å; R294-A297 PolarHBondContact O-N 2.92Å; A297-S299 PolarHBondContact O-N 3.49Å; A297-I300 PolarHBondContact O-N 3.45Å; A297-L301 WeakPolarHBondContact O-CB 3.39Å; A297-L301 VanDerWaalsContact O-CG 3.27Å; A297-L301 WeakPolarHBondContact O-CG 3.48Å; A297-L301 PolarHBondContact O-N 3.35Å; A297-F376 HydrophobicContact CB-CE2 4.23Å; A297-F376 HydrophobicContact CB-CZ 4.06Å; A297-L380 HydrophobicContact CB-CD1 3.77Å; A297-L380 HydrophobicContact CB-CD2 3.68Å; A297-L380 HydrophobicContact CB-CG 4.39Å; A297-W502 HydrophobicContact CB-CH2 3.57Å; A297-W502 HydrophobicContact CB-CZ3 3.62Å; A297-L503 HydrophobicContact CB-CD2 4.24Å
298	H	97.8	Very high	97.9	Very high	65 Å²	65	33 Å²	33	30%	0.301	17%	0.167	S	C	.	.	H	α-helix	trans	-58.7	-46.8	175.2	-176.5	-76	0	0	0	112	R294 K295 F296 I300 L301 Q302 L503	R294-H298 PolarHBondContact O-N 3.49Å; K295-H298 PolarHBondContact O-N 3.48Å; F296-H298 PolarHBondContact O-N 3.28Å; H298-I300 PolarHBondContact O-N 3.05Å; H298-L301 PolarHBondContact O-N 3.49Å; H298-Q302 WeakPolarHBondContact O-CG 3.4Å; H298-Q302 PolarHBondContact O-N 3.31Å; H298-Q302 VanDerWaalsContact O-N 3.09Å; H298-L503 HydrophobicContact CB-CD2 4.09Å
299	S	97.6	Very high	97.9	Very high	20 Å²	20	38.7 Å²	38.7	14%	0.14	19%	0.187	C	C	.	.	H	α-helix	trans	-67.2	-34.8	-178.5	-64.1	0	0	0	0	113.7	N251 K295 F296 A297	N251-S299 PolarHBondContact ND2-O 2.82Å; K295-S299 PolarHBondContact O-N 3.26Å; K295-S299 VanDerWaalsContact O-N 3.12Å; K295-S299 PolarHBondContact O-OG 2.88Å; F296-S299 PolarHBondContact O-N 3.16Å; F296-S299 VanDerWaalsContact O-N 3.14Å; A297-S299 PolarHBondContact O-N 3.49Å
300	I	98.8	Very high	97.9	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-70.1	-42	174.6	-63.1	158.4	0	0	0	109.8	F296 A297 H298 Q302 C303 L304 L317 I322 I332 F376	F296-I300 HydrophobicContact CB-CD1 4.37Å; F296-I300 WeakPolarHBondContact O-CD1 3.36Å; F296-I300 VanDerWaalsContact O-CG1 3.23Å; F296-I300 WeakPolarHBondContact O-CG1 3.31Å; F296-I300 PolarHBondContact O-N 2.86Å; A297-I300 PolarHBondContact O-N 3.45Å; H298-I300 PolarHBondContact O-N 3.05Å; I300-Q302 VanDerWaalsContact C-N 3.27Å; I300-Q302 PolarHBondContact O-N 2.91Å; I300-C303 WeakPolarHBondContact O-CA 3.43Å; I300-C303 WeakPolarHBondContact O-CB 3.27Å; I300-C303 PolarHBondContact O-N 2.78Å; I300-L304 HydrophobicContact CG2-CD1 4.1Å; I300-L304 HydrophobicContact CG2-CG 4.23Å; I300-L304 PolarHBondContact O-N 2.93Å; I300-L317 HydrophobicContact CG2-CD2 4.39Å; I300-I322 HydrophobicContact CD1-CD1 3.8Å; I300-I322 HydrophobicContact CG1-CD1 4.06Å; I300-I322 HydrophobicContact CG1-CG2 4.32Å; I300-I332 HydrophobicContact CG1-CD1 4.15Å; I300-I332 HydrophobicContact CG1-CG1 4.43Å; I300-F376 HydrophobicContact CB-CD2 4.2Å; I300-F376 HydrophobicContact CB-CE2 4.05Å; I300-F376 HydrophobicContact CG2-CD2 3.68Å; I300-F376 HydrophobicContact CG2-CE2 4.02Å
301	L	98.6	Very high	97.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-29.9	176.5	-75.9	168.7	0	0	0	113.5	A297 H298 C303 L304 E305 M373 F376 F479 P494 A497 L498 L503	A297-L301 WeakPolarHBondContact O-CB 3.39Å; A297-L301 VanDerWaalsContact O-CG 3.27Å; A297-L301 WeakPolarHBondContact O-CG 3.48Å; A297-L301 PolarHBondContact O-N 3.35Å; H298-L301 PolarHBondContact O-N 3.49Å; L301-C303 PolarHBondContact O-N 2.66Å; L301-L304 PolarHBondContact O-N 3.38Å; L301-E305 WeakPolarHBondContact O-CB 3.44Å; L301-E305 PolarHBondContact O-N 3.41Å; L301-M373 HydrophobicContact CD2-CE 4.11Å; L301-M373 HydrophobicContact CD2-SD 4.03Å; L301-F376 HydrophobicContact CD1-CE1 4.28Å; L301-F376 HydrophobicContact CD1-CZ 3.74Å; L301-F376 HydrophobicContact CD2-CD1 4.5Å; L301-F376 HydrophobicContact CD2-CE1 3.88Å; L301-F376 HydrophobicContact CD2-CE2 4.42Å; L301-F376 HydrophobicContact CD2-CZ 3.83Å; L301-F376 HydrophobicContact CG-CE1 4.09Å; L301-F376 HydrophobicContact CG-CE2 4Å; L301-F376 HydrophobicContact CG-CZ 3.52Å; L301-F479 HydrophobicContact CD1-CZ 4.3Å; L301-P494 HydrophobicContact CD2-CB 4.08Å; L301-A497 HydrophobicContact CD1-CB 3.85Å; L301-A497 HydrophobicContact CD2-CB 3.7Å; L301-A497 HydrophobicContact CG-CB 4.47Å; L301-L498 HydrophobicContact CB-CD1 4.47Å; L301-L498 HydrophobicContact CB-CD2 3.71Å; L301-L498 HydrophobicContact CB-CG 3.94Å; L301-L498 HydrophobicContact CD1-CD2 4.03Å; L301-L498 HydrophobicContact CD1-CG 4.18Å; L301-L503 HydrophobicContact CD1-CD1 3.36Å
302	Q	97.6	Very high	98	Very high	63 Å²	63	37.5 Å²	37.5	29%	0.294	16%	0.161	S	C	.	.	H	α-helix	trans	-60.5	-35.2	171.8	-71.6	176	-61.9	0	0	112.3	N251 H298 I300	N251-Q302 PolarHBondContact ND2-OE1 2.82Å; H298-Q302 WeakPolarHBondContact O-CG 3.4Å; H298-Q302 PolarHBondContact O-N 3.31Å; H298-Q302 VanDerWaalsContact O-N 3.09Å; I300-Q302 VanDerWaalsContact C-N 3.27Å; I300-Q302 PolarHBondContact O-N 2.91Å
303	C	98.6	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-72.4	-53.6	171.8	176	0	0	0	0	110.9	M250 V252 I300 L301 E305 A306 L307 V334	M250-C303 WeakPolarHBondContact O-CA 3.4Å; M250-C303 WeakPolarHBondContact O-CB 3.34Å; M250-C303 PolarHBondContact O-N 3.02Å; V252-C303 HydrophobicContact CG2-CB 4.5Å; I300-C303 WeakPolarHBondContact O-CA 3.43Å; I300-C303 WeakPolarHBondContact O-CB 3.27Å; I300-C303 PolarHBondContact O-N 2.78Å; L301-C303 PolarHBondContact O-N 2.66Å; C303-E305 VanDerWaalsContact C-N 3.25Å; C303-E305 PolarHBondContact O-N 3.36Å; C303-A306 WeakPolarHBondContact O-CA 3.45Å; C303-A306 WeakPolarHBondContact O-CB 3.47Å; C303-A306 PolarHBondContact O-N 2.83Å; C303-L307 WeakPolarHBondContact O-CG 3.28Å; C303-L307 PolarHBondContact O-N 2.75Å; C303-V334 HydrophobicContact CB-CB 4.44Å; C303-V334 HydrophobicContact CB-CG2 3.74Å
304	L	98.7	Very high	98.1	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-60	-34.6	-177	-60.7	-177.5	0	0	0	112.8	I300 L301 A306 L307 Y308 L317 D372 M373 F376 P494	I300-L304 HydrophobicContact CG2-CD1 4.1Å; I300-L304 HydrophobicContact CG2-CG 4.23Å; I300-L304 PolarHBondContact O-N 2.93Å; L301-L304 PolarHBondContact O-N 3.38Å; L304-A306 VanDerWaalsContact C-N 3.35Å; L304-L307 HydrophobicContact CD2-CD1 4.4Å; L304-L307 PolarHBondContact O-N 3.18Å; L304-Y308 VanDerWaalsContact O-CB 3.22Å; L304-Y308 WeakPolarHBondContact O-CB 3.35Å; L304-Y308 PolarHBondContact O-N 3.33Å; L304-L317 HydrophobicContact CD1-CD2 4.18Å; L304-L317 HydrophobicContact CD2-CD2 4.14Å; L304-D372 HydrophobicContact CD2-CB 4.03Å; L304-M373 HydrophobicContact CD1-SD 3.84Å; L304-F376 HydrophobicContact CD1-CB 3.93Å; L304-F376 HydrophobicContact CD1-CD2 4.23Å; L304-F376 HydrophobicContact CD1-CG 4.07Å; L304-P494 HydrophobicContact CB-CB 4.11Å; L304-P494 HydrophobicContact CB-CG 3.76Å
305	E	98	Very high	98.2	Very high	30 Å²	30	32.4 Å²	32.4	14%	0.14	14%	0.138	C	C	.	.	H	α-helix	trans	-64.7	-35.3	173.2	175.9	53.7	-139.7	0	0	112.6	L301 C303 R309 P494 S495 L498	L301-E305 WeakPolarHBondContact O-CB 3.44Å; L301-E305 PolarHBondContact O-N 3.41Å; C303-E305 VanDerWaalsContact C-N 3.25Å; C303-E305 PolarHBondContact O-N 3.36Å; E305-R309 WeakPolarHBondContact O-CB 3.5Å; E305-R309 WeakPolarHBondContact O-CG 3.11Å; E305-R309 PolarHBondContact O-N 3.46Å; E305-R309 PolarHBondContact O-NE 3.36Å; E305-R309 WeakPolarHBondContact OE1-CD 3.32Å; E305-R309 WeakPolarHBondContact OE1-CG 3.37Å; E305-R309 IonicContact OE1-NE 3.65Å; E305-R309 PolarHBondContact OE1-NE 2.97Å; E305-P494 HydrophobicContact CB-CB 3.94Å; E305-S495 WeakPolarHBondContact OE2-CA 3.13Å; E305-S495 WeakPolarHBondContact OE2-CB 3.1Å; E305-S495 PolarHBondContact OE2-N 3.23Å; E305-S495 PolarHBondContact OE2-OG 3.25Å; E305-L498 HydrophobicContact CB-CD1 4.25Å; E305-L498 HydrophobicContact CG-CD1 4.3Å
306	A	97.6	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-69.4	-46.1	172	0	0	0	0	0	111.9	M250 C303 L304 Y308 R309 H310	M250-A306 HydrophobicContact CB-CB 4.19Å; M250-A306 HydrophobicContact CE-CB 4.47Å; M250-A306 HydrophobicContact CG-CB 4.06Å; M250-A306 HydrophobicContact SD-CB 3.33Å; M250-A306 WeakPolarHBondContact SD-CB 3.47Å; C303-A306 WeakPolarHBondContact O-CA 3.45Å; C303-A306 WeakPolarHBondContact O-CB 3.47Å; C303-A306 PolarHBondContact O-N 2.83Å; L304-A306 VanDerWaalsContact C-N 3.35Å; A306-Y308 VanDerWaalsContact C-N 3.34Å; A306-Y308 PolarHBondContact O-N 3.17Å; A306-R309 PolarHBondContact O-N 2.84Å; A306-H310 PolarHBondContact O-CD2 3.24Å; A306-H310 PolarHBondContact O-N 2.92Å
307	L	98.5	Very high	98.2	Very high	2 Å²	2	27 Å²	27	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-43.3	178.6	-57.1	-169.1	0	0	0	111.3	L241 C303 L304 H310 R311 I312 H314 F337	L241-L307 HydrophobicContact CD1-CD2 3.61Å; L241-L307 HydrophobicContact CD2-CD2 4.01Å; L241-L307 HydrophobicContact CG-CD2 4.47Å; C303-L307 WeakPolarHBondContact O-CG 3.28Å; C303-L307 PolarHBondContact O-N 2.75Å; L304-L307 HydrophobicContact CD2-CD1 4.4Å; L304-L307 PolarHBondContact O-N 3.18Å; L307-H310 CarbonylContact O-C 3.51Å; L307-H310 PolarHBondContact O-N 3.02Å; L307-R311 PolarHBondContact O-N 3.11Å; L307-I312 HydrophobicContact CB-CB 4.35Å; L307-I312 WeakPolarHBondContact CB-O 3.46Å; L307-I312 HydrophobicContact CD2-CB 4.37Å; L307-I312 HydrophobicContact CD2-CG2 4.21Å; L307-I312 PolarHBondContact O-N 3.01Å; L307-H314 HydrophobicContact CD1-CB 4Å; L307-F337 HydrophobicContact CD1-CE1 4Å; L307-F337 HydrophobicContact CD1-CZ 4.4Å; L307-F337 HydrophobicContact CD2-CE1 3.74Å; L307-F337 HydrophobicContact CD2-CZ 4.25Å
308	Y	98.3	Very high	98.2	Very high	68 Å²	68	28.3 Å²	28.3	27%	0.267	12%	0.121	S	C	.	.	H	α-helix	trans	-59.2	-48.3	175.7	-173.1	-89.6	0	0	0	112.2	L304 A306 H310 R311 L369 T493 P494	L304-Y308 VanDerWaalsContact O-CB 3.22Å; L304-Y308 WeakPolarHBondContact O-CB 3.35Å; L304-Y308 PolarHBondContact O-N 3.33Å; A306-Y308 VanDerWaalsContact C-N 3.34Å; A306-Y308 PolarHBondContact O-N 3.17Å; Y308-H310 VanDerWaalsContact C-N 3.27Å; Y308-H310 PolarHBondContact O-N 3Å; Y308-R311 PolarHBondContact O-N 2.99Å; Y308-R311 VanDerWaalsContact O-N 3.15Å; Y308-L369 HydrophobicContact CD2-CB 4.04Å; Y308-L369 HydrophobicContact CD2-CD1 3.69Å; Y308-L369 HydrophobicContact CD2-CG 4.38Å; Y308-L369 HydrophobicContact CE2-CB 4.35Å; Y308-L369 HydrophobicContact CE2-CD1 3.88Å; Y308-L369 HydrophobicContact CG-CD1 4.34Å; Y308-T493 HydrophobicContact CE2-CG2 4Å; Y308-P494 HydrophobicContact CG-CG 4.42Å
309	R	97.4	Very high	98.3	Very high	139 Å²	139	25.2 Å²	25.2	53%	0.525	11%	0.107	S	C	.	.	H	α-helix	trans	-61	-33.2	176.2	-80.8	-177.5	-76	125.5	1.7	113.2	E305 A306	E305-R309 WeakPolarHBondContact O-CB 3.5Å; E305-R309 WeakPolarHBondContact O-CG 3.11Å; E305-R309 PolarHBondContact O-N 3.46Å; E305-R309 PolarHBondContact O-NE 3.36Å; E305-R309 WeakPolarHBondContact OE1-CD 3.32Å; E305-R309 WeakPolarHBondContact OE1-CG 3.37Å; E305-R309 IonicContact OE1-NE 3.65Å; E305-R309 PolarHBondContact OE1-NE 2.97Å; A306-R309 PolarHBondContact O-N 2.84Å
310	H	97.4	Very high	98.3	Very high	40 Å²	40	27 Å²	27	19%	0.185	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	5.2	177.8	-67.4	-54.9	0	0	0	114.8	H240 A306 L307 Y308 I312	H240-H310 AromaticContact NE2-CG 3.5Å; H240-H310 AromaticContact NE2-ND1 3.35Å; H240-H310 PolarHBondContact NE2-ND1 2.92Å; A306-H310 PolarHBondContact O-CD2 3.24Å; A306-H310 PolarHBondContact O-N 2.92Å; L307-H310 CarbonylContact O-C 3.51Å; L307-H310 PolarHBondContact O-N 3.02Å; Y308-H310 VanDerWaalsContact C-N 3.27Å; Y308-H310 PolarHBondContact O-N 3Å; H310-I312 VanDerWaalsContact C-N 3.28Å; H310-I312 HydrophobicContact CB-CD1 3.78Å; H310-I312 HydrophobicContact CB-CG1 4.22Å; H310-I312 PolarHBondContact O-N 2.99Å
311	R	98.2	Very high	98.3	Very high	124 Å²	124	27.5 Å²	27.5	47%	0.468	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	42.3	-178.2	-55.3	-60.3	-173.6	156.7	-8.9	112.6	L307 Y308 F342 E343	L307-R311 PolarHBondContact O-N 3.11Å; Y308-R311 PolarHBondContact O-N 2.99Å; Y308-R311 VanDerWaalsContact O-N 3.15Å; R311-F342 CarbonylContact O-C 3.51Å; R311-F342 WeakPolarHBondContact O-CA 3.25Å; R311-E343 HydrophobicContact CB-CB 4.24Å; R311-E343 IonicContact NH1-OE2 2.76Å; R311-E343 PolarHBondContact NH1-OE2 2.81Å; R311-E343 PolarHBondContact O-N 3.44Å
312	I	98.6	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.2	176.5	-64.3	162.8	0	0	0	108.5	I237 L241 L307 H310 F342 L369	I237-I312 HydrophobicContact CD1-CG2 4.32Å; I237-I312 HydrophobicContact CG2-CD1 4.22Å; I237-I312 HydrophobicContact CG2-CG2 4.11Å; L241-I312 HydrophobicContact CD1-CD1 4.29Å; L241-I312 HydrophobicContact CD2-CD1 3.97Å; L241-I312 HydrophobicContact CG-CD1 4.04Å; L307-I312 HydrophobicContact CB-CB 4.35Å; L307-I312 WeakPolarHBondContact CB-O 3.46Å; L307-I312 HydrophobicContact CD2-CB 4.37Å; L307-I312 HydrophobicContact CD2-CG2 4.21Å; L307-I312 PolarHBondContact O-N 3.01Å; H310-I312 VanDerWaalsContact C-N 3.28Å; H310-I312 HydrophobicContact CB-CD1 3.78Å; H310-I312 HydrophobicContact CB-CG1 4.22Å; H310-I312 PolarHBondContact O-N 2.99Å; I312-F342 HydrophobicContact CD1-CD1 4.44Å; I312-F342 HydrophobicContact CD1-CE1 3.86Å; I312-F342 HydrophobicContact CD1-CZ 4.39Å; I312-F342 HydrophobicContact CG1-CD1 3.66Å; I312-F342 HydrophobicContact CG1-CE1 3.59Å; I312-F342 HydrophobicContact CG1-CZ 4.37Å; I312-L369 WeakPolarHBondContact O-CD2 3.37Å
313	I	98.7	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.3	173.1	-44.7	169.9	0	0	0	107.1	C315 S340 C341 E343 R346 Y367 L369 I371 D372	I313-C315 VanDerWaalsContact CG2-SG 3.56Å; I313-S340 WeakPolarHBondContact O-CA 3.49Å; I313-S340 VanDerWaalsContact O-CB 3.26Å; I313-S340 WeakPolarHBondContact O-CB 3.22Å; I313-C341 PolarHBondContact N-O 3.48Å; I313-C341 PolarHBondContact O-N 2.89Å; I313-C341 VanDerWaalsContact O-N 3.1Å; I313-E343 HydrophobicContact CD1-CB 4.3Å; I313-E343 HydrophobicContact CD1-CG 4.48Å; I313-E343 HydrophobicContact CG1-CB 4.34Å; I313-R346 HydrophobicContact CD1-CG 4.3Å; I313-Y367 HydrophobicContact CD1-CD2 4.17Å; I313-Y367 HydrophobicContact CD1-CE2 3.95Å; I313-L369 HydrophobicContact CG1-CD2 3.93Å; I313-L369 HydrophobicContact CG1-CG 4.43Å; I313-I371 HydrophobicContact CG2-CD1 3.58Å; I313-I371 HydrophobicContact CG2-CG1 3.61Å; I313-D372 WeakPolarHBondContact CA-OD2 3.43Å; I313-D372 WeakPolarHBondContact CG2-OD2 3.33Å
314	H	98.6	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	11%	0.11	C	C	.	.			trans	-70.4	-38.4	179.2	-168.8	-91.5	0	0	0	111.6	L307 D316 L317 V334 I335 F337 S340 D372	L307-H314 HydrophobicContact CD1-CB 4Å; H314-D316 PolarHBondContact CE1-O 3.16Å; H314-D316 VanDerWaalsContact ND1-C 3.27Å; H314-D316 PolarHBondContact ND1-O 3.08Å; H314-D316 PolarHBondContact O-N 3.19Å; H314-L317 PolarHBondContact ND1-N 3.32Å; H314-V334 WeakPolarHBondContact NE2-CG1 3.43Å; H314-I335 PolarHBondContact NE2-O 2.76Å; H314-I335 VanDerWaalsContact NE2-O 3.17Å; H314-F337 AromaticContact CD2-CE1 3.72Å; H314-F337 AromaticContact CD2-CZ 3.77Å; H314-S340 WeakPolarHBondContact CA-OG 3.49Å; H314-S340 WeakPolarHBondContact O-CA 3.43Å; H314-S340 PolarHBondContact O-N 3.2Å; H314-S340 PolarHBondContact O-OG 2.86Å; H314-D372 WeakPolarHBondContact CB-OD1 3.32Å; H314-D372 PolarHBondContact N-OD2 2.84Å
315	C	98.3	Very high	98.2	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	12%	0.124	C	C	.	.	S	Bend	trans	64.6	-7.6	176.6	-60.7	0	0	0	0	116.5	I313 S339 I351 Q352 D372	I313-C315 VanDerWaalsContact CG2-SG 3.56Å; C315-S339 WeakPolarHBondContact CB-O 3.4Å; C315-I351 HydrophobicContact CB-CB 4.49Å; C315-I351 HydrophobicContact CB-CD1 4.29Å; C315-Q352 WeakPolarHBondContact O-CA 3.4Å; C315-Q352 WeakPolarHBondContact O-CG 3.22Å; C315-Q352 PolarHBondContact O-N 3.17Å; C315-D372 PolarHBondContact N-OD1 3.2Å; C315-D372 VanDerWaalsContact N-OD1 3.08Å
316	D	97.8	Very high	98.1	Very high	10 Å²	10	33.9 Å²	33.9	5%	0.053	15%	0.145	C	C	.	.			trans	-148.4	49.6	173.3	-162.9	30.7	0	0	0	113.3	H314 K318 N321 S353	H314-D316 PolarHBondContact CE1-O 3.16Å; H314-D316 VanDerWaalsContact ND1-C 3.27Å; H314-D316 PolarHBondContact ND1-O 3.08Å; H314-D316 PolarHBondContact O-N 3.19Å; D316-K318 PolarHBondContact O-N 2.7Å; D316-K318 IonicContact OD1-NZ 2.78Å; D316-K318 IonicContact OD2-NZ 2.72Å; D316-K318 PolarHBondContact OD2-NZ 3.39Å; D316-N321 PolarHBondContact O-ND2 2.72Å; D316-N321 PolarHBondContact OD2-ND2 3.3Å; D316-S353 PolarHBondContact OD1-N 3.38Å
317	L	98.8	Very high	97.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	17%	0.172	C	C	.	.			trans	-75.2	122.9	176	-167.6	77.7	0	0	0	110.2	I300 L304 H314 I322 V334 S375 F376 I379	I300-L317 HydrophobicContact CG2-CD2 4.39Å; L304-L317 HydrophobicContact CD1-CD2 4.18Å; L304-L317 HydrophobicContact CD2-CD2 4.14Å; H314-L317 PolarHBondContact ND1-N 3.32Å; L317-I322 HydrophobicContact CD1-CD1 4.39Å; L317-I322 HydrophobicContact CD1-CG1 4.41Å; L317-V334 HydrophobicContact CD1-CG1 3.85Å; L317-V334 HydrophobicContact CD1-CG2 4.43Å; L317-S375 WeakPolarHBondContact O-CB 3.28Å; L317-F376 HydrophobicContact CD2-CB 4.08Å; L317-I379 HydrophobicContact CD2-CD1 3.95Å; L317-I379 HydrophobicContact CG-CD1 3.77Å
318	K	98.7	Very high	97.3	Very high	27 Å²	27	43.4 Å²	43.4	12%	0.117	21%	0.21	C	C	.	.			trans	-159.4	163.3	-177.1	63	-170.1	-174.7	-144.7	0	111	D316 E320 N321 S353 Y356	D316-K318 PolarHBondContact O-N 2.7Å; D316-K318 IonicContact OD1-NZ 2.78Å; D316-K318 IonicContact OD2-NZ 2.72Å; D316-K318 PolarHBondContact OD2-NZ 3.39Å; K318-E320 WeakPolarHBondContact CB-OE2 3.18Å; K318-E320 HydrophobicContact CD-CB 4.5Å; K318-E320 HydrophobicContact CG-CB 4.26Å; K318-E320 VanDerWaalsContact CG-OE2 3.28Å; K318-E320 WeakPolarHBondContact CG-OE2 3.3Å; K318-E320 PolarHBondContact O-N 3.13Å; K318-N321 WeakPolarHBondContact CE-ND2 3.49Å; K318-N321 HydrophobicContact CG-CB 3.97Å; K318-N321 PolarHBondContact O-N 3.08Å; K318-S353 WeakPolarHBondContact CD-OG 3.38Å; K318-Y356 HydrophobicContact CB-CD2 3.51Å; K318-Y356 HydrophobicContact CB-CE2 3.5Å; K318-Y356 VanDerWaalsContact CB-CE2 3.5Å; K318-Y356 HydrophobicContact CB-CG 4.2Å
319	P	98.8	Very high	97.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-58.9	-29.3	-178.4	-23.3	35.1	0	0	0	113.9	L276 Y277 N321 I322 Y356 I379	L276-P319 HydrophobicContact CB-CB 4.11Å; L276-P319 PolarHBondContact N-O 3.22Å; Y277-P319 PolarHBondContact N-O 2.72Å; P319-N321 VanDerWaalsContact C-N 3.3Å; P319-N321 PolarHBondContact O-N 3.03Å; P319-I322 PolarHBondContact O-N 3.06Å; P319-Y356 WeakPolarHBondContact CD-OH 3.38Å; P319-Y356 HydrophobicContact CG-CE1 4.1Å; P319-I379 HydrophobicContact CG-CG1 4.19Å; P319-I379 HydrophobicContact CG-CG2 4.43Å
320	E	97.9	Very high	96.9	Very high	56 Å²	56	44 Å²	44	26%	0.262	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-68.2	-28.7	175.4	-52	95.9	117.1	0	0	112.9	N275 Y277 K318 L323	N275-E320 VanDerWaalsContact CB-O 3.22Å; N275-E320 WeakPolarHBondContact CB-O 3.35Å; Y277-E320 HydrophobicContact CG-CG 4.37Å; K318-E320 WeakPolarHBondContact CB-OE2 3.18Å; K318-E320 HydrophobicContact CD-CB 4.5Å; K318-E320 HydrophobicContact CG-CB 4.26Å; K318-E320 VanDerWaalsContact CG-OE2 3.28Å; K318-E320 WeakPolarHBondContact CG-OE2 3.3Å; K318-E320 PolarHBondContact O-N 3.13Å; E320-L323 WeakPolarHBondContact O-CD1 3.49Å
321	N	98.6	Very high	96.9	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.059	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-95.5	15	-178.4	-72.4	-2.5	0	0	0	112.9	D316 K318 P319 I335	D316-N321 PolarHBondContact O-ND2 2.72Å; D316-N321 PolarHBondContact OD2-ND2 3.3Å; K318-N321 WeakPolarHBondContact CE-ND2 3.49Å; K318-N321 HydrophobicContact CG-CB 3.97Å; K318-N321 PolarHBondContact O-N 3.08Å; P319-N321 VanDerWaalsContact C-N 3.3Å; P319-N321 PolarHBondContact O-N 3.03Å; N321-I335 HydrophobicContact CB-CG1 4.17Å; N321-I335 WeakPolarHBondContact O-CG1 3.2Å; N321-I335 PolarHBondContact O-N 2.96Å
322	I	98.8	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	112.2	174.3	-56.4	163.5	0	0	0	107.9	N275 L276 I300 L317 P319 I332 V334 I379	N275-I322 CarbonylContact C-O 3.48Å; N275-I322 VanDerWaalsContact CA-O 3.24Å; N275-I322 WeakPolarHBondContact CA-O 3.42Å; L276-I322 HydrophobicContact CD1-CB 3.89Å; L276-I322 HydrophobicContact CD1-CD1 4.32Å; L276-I322 HydrophobicContact CD1-CG2 3.54Å; L276-I322 HydrophobicContact CG-CB 4.07Å; L276-I322 HydrophobicContact CG-CG2 3.91Å; L276-I322 PolarHBondContact N-O 3.33Å; I300-I322 HydrophobicContact CD1-CD1 3.8Å; I300-I322 HydrophobicContact CG1-CD1 4.06Å; I300-I322 HydrophobicContact CG1-CG2 4.32Å; L317-I322 HydrophobicContact CD1-CD1 4.39Å; L317-I322 HydrophobicContact CD1-CG1 4.41Å; P319-I322 PolarHBondContact O-N 3.06Å; I322-I332 HydrophobicContact CG2-CB 3.83Å; I322-I332 HydrophobicContact CG2-CD1 4.14Å; I322-I332 HydrophobicContact CG2-CG1 3.94Å; I322-I332 HydrophobicContact CG2-CG2 4.1Å; I322-V334 HydrophobicContact CG1-CG2 4.47Å; I322-I379 HydrophobicContact CD1-CD1 4.05Å; I322-I379 HydrophobicContact CD1-CG2 4.27Å
323	L	98.6	Very high	96.9	Very high	29 Å²	29	37.8 Å²	37.8	15%	0.152	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.4	-174.2	-84.2	63.9	0	0	0	111.8	L272 S273 N275 E320 I332 K333 I335	L272-L323 HydrophobicContact CB-CB 3.96Å; L272-L323 HydrophobicContact CB-CD2 3.87Å; L272-L323 HydrophobicContact CD1-CB 3.91Å; L272-L323 HydrophobicContact CD1-CD2 4.31Å; S273-L323 WeakPolarHBondContact O-CD2 3.33Å; S273-L323 WeakPolarHBondContact O-CG 3.34Å; N275-L323 HydrophobicContact CB-CD1 3.61Å; N275-L323 HydrophobicContact CB-CG 4.04Å; E320-L323 WeakPolarHBondContact O-CD1 3.49Å; L323-I332 CarbonylContact O-C 3.38Å; L323-I332 WeakPolarHBondContact O-CA 3.46Å; L323-I332 WeakPolarHBondContact O-CB 3.36Å; L323-K333 PolarHBondContact N-O 2.63Å; L323-K333 PolarHBondContact O-N 2.78Å; L323-I335 HydrophobicContact CB-CG2 4.45Å; L323-I335 HydrophobicContact CD1-CD1 3.44Å; L323-I335 VanDerWaalsContact CD1-CD1 3.44Å; L323-I335 HydrophobicContact CD1-CG1 3.73Å; L323-I335 HydrophobicContact CD1-CG2 4.06Å; L323-I335 HydrophobicContact CD2-CD1 4.22Å; L323-I335 HydrophobicContact CD2-CG2 4.33Å; L323-I335 HydrophobicContact CG-CD1 4.49Å
324	L	98.4	Very high	96.9	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	132.9	167.9	-63.1	-177.5	0	0	0	109.5	S273 M274 L276 L279 F296 Q326 I332	S273-L324 WeakPolarHBondContact CA-O 3.16Å; S273-L324 VanDerWaalsContact CB-O 3.3Å; S273-L324 WeakPolarHBondContact CB-O 3.3Å; S273-L324 PolarHBondContact N-O 3.26Å; M274-L324 HydrophobicContact CG-CD1 4.05Å; M274-L324 PolarHBondContact O-N 3.04Å; L276-L324 HydrophobicContact CD2-CD2 3.99Å; L279-L324 HydrophobicContact CD1-CD1 4.16Å; L279-L324 HydrophobicContact CD2-CD1 4.22Å; L279-L324 HydrophobicContact CD2-CD2 4.29Å; F296-L324 HydrophobicContact CE1-CD2 3.81Å; F296-L324 HydrophobicContact CZ-CD2 4.13Å; L324-Q326 VanDerWaalsContact C-N 3.26Å; L324-Q326 PolarHBondContact O-N 3.26Å; L324-I332 HydrophobicContact CD2-CG2 3.84Å
325	K	96.6	Very high	96.9	Very high	74 Å²	74	39.6 Å²	39.6	32%	0.322	21%	0.211	S	C	.	.	S	Bend	trans	-59.7	-39.5	173	-66.6	-176.7	-168.8	-175.9	0	111.3	N251 G331 I332 K333	N251-K325 WeakPolarHBondContact OD1-CE 3.4Å; N251-K325 PolarHBondContact OD1-NZ 2.96Å; K325-G331 PolarHBondContact N-O 3.38Å; K325-I332 WeakPolarHBondContact CE-O 3.46Å; K325-K333 HydrophobicContact CD-CG 4.4Å; K325-K333 HydrophobicContact CG-CG 4.09Å
326	Q	95.2	Very high	96.8	Very high	125 Å²	125	40.9 Å²	40.9	58%	0.584	22%	0.218	S	C	*	.	S	Bend	trans	-148.5	147.2	-178.5	-67.8	179.3	-25.1	0	0	110.1	L324 R329	L324-Q326 VanDerWaalsContact C-N 3.26Å; L324-Q326 PolarHBondContact O-N 3.26Å; Q326-R329 HydrophobicContact CB-CB 4.31Å; Q326-R329 HydrophobicContact CB-CG 4.12Å; Q326-R329 PolarHBondContact O-N 3.03Å
327	Q	91.1	Very high	96.8	Very high	124 Å²	124	40.4 Å²	40.4	58%	0.579	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	137.4	176.2	-175.2	171.3	-20.8	0	0	111	R329	Q327-R329 PolarHBondContact O-N 2.85Å
328	G	89.4	Confident	96.6	Very high	77 Å²	77	40.5 Å²	40.5	79%	0.794	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	1.9	-179	0	0	0	0	0	115.2
329	R	94.3	Very high	96.4	Very high	178 Å²	178	40.4 Å²	40.4	67%	0.672	22%	0.219	S	C	*	.			trans	-111	155.3	171.9	-58.3	-65.4	-175.8	145.4	0	109.7	Q326 Q327	Q326-R329 HydrophobicContact CB-CB 4.31Å; Q326-R329 HydrophobicContact CB-CG 4.12Å; Q326-R329 PolarHBondContact O-N 3.03Å; Q327-R329 PolarHBondContact O-N 2.85Å
330	S	93.3	Very high	96.3	Very high	41 Å²	41	40.8 Å²	40.8	29%	0.287	22%	0.221	S	C	.	.			trans	-98.3	-0.4	-178.6	37.8	0	0	0	0	114.6
331	G	96.9	Very high	96.3	Very high	27 Å²	27	38.7 Å²	38.7	28%	0.278	21%	0.213	S	C	.	.			trans	-69.6	132.4	173	0	0	0	0	0	110.6	K325	K325-G331 PolarHBondContact N-O 3.38Å
332	I	98.4	Very high	96.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	165	-178.5	57.4	70.6	0	0	0	113	N251 L276 F296 I300 I322 L323 L324 K325	N251-I332 HydrophobicContact CB-CD1 4.18Å; N251-I332 WeakPolarHBondContact CB-O 3.34Å; N251-I332 PolarHBondContact OD1-O 2.99Å; L276-I332 HydrophobicContact CD2-CG2 4.27Å; F296-I332 HydrophobicContact CD1-CG2 3.81Å; F296-I332 HydrophobicContact CE1-CG2 3.81Å; I300-I332 HydrophobicContact CG1-CD1 4.15Å; I300-I332 HydrophobicContact CG1-CG1 4.43Å; I322-I332 HydrophobicContact CG2-CB 3.83Å; I322-I332 HydrophobicContact CG2-CD1 4.14Å; I322-I332 HydrophobicContact CG2-CG1 3.94Å; I322-I332 HydrophobicContact CG2-CG2 4.1Å; L323-I332 CarbonylContact O-C 3.38Å; L323-I332 WeakPolarHBondContact O-CA 3.46Å; L323-I332 WeakPolarHBondContact O-CB 3.36Å; L324-I332 HydrophobicContact CD2-CG2 3.84Å; K325-I332 WeakPolarHBondContact CE-O 3.46Å
333	K	98.6	Very high	96.1	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.2	157.9	-69.6	-172.7	161.5	-170.5	0	110.5	N251 V252 H254 E270 L272 L323 K325	N251-K333 CarbonylContact O-C 3.54Å; N251-K333 WeakPolarHBondContact O-CA 3.45Å; V252-K333 WeakPolarHBondContact O-CD 3.34Å; V252-K333 WeakPolarHBondContact O-CE 3.49Å; V252-K333 PolarHBondContact O-NZ 2.86Å; H254-K333 PolarHBondContact CE1-NZ 2.83Å; H254-K333 VanDerWaalsContact CG-NZ 3.32Å; H254-K333 PolarHBondContact ND1-NZ 2.81Å; H254-K333 PolarHBondContact NE2-NZ 2.77Å; E270-K333 VanDerWaalsContact OE1-CD 3.24Å; E270-K333 WeakPolarHBondContact OE1-CD 3.35Å; E270-K333 IonicContact OE1-NZ 2.97Å; E270-K333 PolarHBondContact OE1-NZ 3.09Å; E270-K333 WeakPolarHBondContact OE2-CE 3.4Å; E270-K333 IonicContact OE2-NZ 3.26Å; E270-K333 PolarHBondContact OE2-NZ 3.31Å; L272-K333 HydrophobicContact CD1-CB 3.94Å; L272-K333 HydrophobicContact CD2-CD 4.23Å; L323-K333 PolarHBondContact N-O 2.63Å; L323-K333 PolarHBondContact O-N 2.78Å; K325-K333 HydrophobicContact CD-CG 4.4Å; K325-K333 HydrophobicContact CG-CG 4.09Å
334	V	98.8	Very high	95.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.4	169.6	-175.5	0	0	0	0	108.8	N251 V253 C303 H314 L317 I322 F337	N251-V334 PolarHBondContact O-N 3.17Å; V253-V334 PolarHBondContact N-O 2.9Å; C303-V334 HydrophobicContact CB-CB 4.44Å; C303-V334 HydrophobicContact CB-CG2 3.74Å; H314-V334 WeakPolarHBondContact NE2-CG1 3.43Å; L317-V334 HydrophobicContact CD1-CG1 3.85Å; L317-V334 HydrophobicContact CD1-CG2 4.43Å; I322-V334 HydrophobicContact CG1-CG2 4.47Å; V334-F337 HydrophobicContact CG1-CE2 4.42Å
335	I	98.3	Very high	95.5	Very high	38 Å²	38	49.3 Å²	49.3	20%	0.195	26%	0.261	C	S	.	.			trans	-123.8	174.3	-177.7	71.7	156.6	0	0	0	111.3	V253 L272 H314 N321 L323	V253-I335 HydrophobicContact CB-CG2 4.04Å; V253-I335 HydrophobicContact CG1-CB 4.46Å; V253-I335 HydrophobicContact CG1-CG2 4.47Å; V253-I335 HydrophobicContact CG2-CG2 4.2Å; L272-I335 HydrophobicContact CD1-CG2 3.9Å; H314-I335 PolarHBondContact NE2-O 2.76Å; H314-I335 VanDerWaalsContact NE2-O 3.17Å; N321-I335 HydrophobicContact CB-CG1 4.17Å; N321-I335 WeakPolarHBondContact O-CG1 3.2Å; N321-I335 PolarHBondContact O-N 2.96Å; L323-I335 HydrophobicContact CB-CG2 4.45Å; L323-I335 HydrophobicContact CD1-CD1 3.44Å; L323-I335 VanDerWaalsContact CD1-CD1 3.44Å; L323-I335 HydrophobicContact CD1-CG1 3.73Å; L323-I335 HydrophobicContact CD1-CG2 4.06Å; L323-I335 HydrophobicContact CD2-CD1 4.22Å; L323-I335 HydrophobicContact CD2-CG2 4.33Å; L323-I335 HydrophobicContact CG-CD1 4.49Å
336	D	95.9	Very high	95.2	Very high	29 Å²	29	49.3 Å²	49.3	16%	0.155	26%	0.259	C	S	.	.			trans	63.9	74.2	169.2	-164.1	31.4	0	0	0	114.8	K219 G338	K219-D336 IonicContact NZ-OD1 2.7Å; K219-D336 PolarHBondContact NZ-OD1 3.13Å; D336-G338 PolarHBondContact O-N 2.98Å
337	F	97.2	Very high	94.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-88.3	12	179	-75.7	-104.7	0	0	0	112.2	E234 I237 L238 L241 V252 L307 H314 V334 S339 S340	E234-F337 HydrophobicContact CG-CB 3.97Å; E234-F337 PolarHBondContact OE1-N 3.17Å; I237-F337 HydrophobicContact CG2-CB 4.45Å; I237-F337 HydrophobicContact CG2-CD1 3.68Å; I237-F337 HydrophobicContact CG2-CE1 4.35Å; I237-F337 HydrophobicContact CG2-CG 4.37Å; L238-F337 HydrophobicContact CD2-CB 4.43Å; L238-F337 HydrophobicContact CD2-CD2 3.76Å; L238-F337 HydrophobicContact CD2-CE2 4.2Å; L238-F337 HydrophobicContact CD2-CG 4.06Å; L238-F337 HydrophobicContact CG-CB 4.35Å; L238-F337 HydrophobicContact CG-CG 4.48Å; L241-F337 HydrophobicContact CD1-CE1 3.96Å; L241-F337 HydrophobicContact CD1-CZ 4.39Å; V252-F337 HydrophobicContact CG1-CE2 3.82Å; V252-F337 HydrophobicContact CG1-CZ 3.81Å; V252-F337 HydrophobicContact CG2-CZ 4.31Å; L307-F337 HydrophobicContact CD1-CE1 4Å; L307-F337 HydrophobicContact CD1-CZ 4.4Å; L307-F337 HydrophobicContact CD2-CE1 3.74Å; L307-F337 HydrophobicContact CD2-CZ 4.25Å; H314-F337 AromaticContact CD2-CE1 3.72Å; H314-F337 AromaticContact CD2-CZ 3.77Å; V334-F337 HydrophobicContact CG1-CE2 4.42Å; F337-S339 PolarHBondContact O-N 3.27Å; F337-S340 WeakPolarHBondContact CA-OG 3.34Å; F337-S340 VanDerWaalsContact CD1-OG 3.31Å; F337-S340 WeakPolarHBondContact CD1-OG 3.42Å; F337-S340 VanDerWaalsContact O-CB 3.25Å; F337-S340 WeakPolarHBondContact O-CB 3.36Å; F337-S340 PolarHBondContact O-N 2.93Å; F337-S340 PolarHBondContact O-OG 2.7Å
338	G	94.6	Very high	94.6	Very high	3 Å²	3	46.1 Å²	46.1	3%	0.031	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-65.2	-16.1	-179.9	0	0	0	0	0	115.4	Q230 E234 D336	Q230-G338 WeakPolarHBondContact CB-O 3.47Å; E234-G338 VanDerWaalsContact CD-N 3.29Å; E234-G338 PolarHBondContact OE1-N 2.81Å; E234-G338 WeakPolarHBondContact OE2-CA 3.24Å; D336-G338 PolarHBondContact O-N 2.98Å
339	S	95.1	Very high	94.7	Very high	24 Å²	24	48.4 Å²	48.4	17%	0.168	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-99.7	-9.4	170.4	-63.1	0	0	0	0	113.5	F201 C315 F337	F201-S339 WeakPolarHBondContact CZ-OG 3.47Å; C315-S339 WeakPolarHBondContact CB-O 3.4Å; F337-S339 PolarHBondContact O-N 3.27Å
340	S	97.1	Very high	94.6	Very high	8 Å²	8	43 Å²	43	6%	0.056	23%	0.228	C	C	.	.			trans	-71.8	156	-171.2	-56.6	0	0	0	0	112.4	I313 H314 F337	I313-S340 WeakPolarHBondContact O-CA 3.49Å; I313-S340 VanDerWaalsContact O-CB 3.26Å; I313-S340 WeakPolarHBondContact O-CB 3.22Å; H314-S340 WeakPolarHBondContact CA-OG 3.49Å; H314-S340 WeakPolarHBondContact O-CA 3.43Å; H314-S340 PolarHBondContact O-N 3.2Å; H314-S340 PolarHBondContact O-OG 2.86Å; F337-S340 WeakPolarHBondContact CA-OG 3.34Å; F337-S340 VanDerWaalsContact CD1-OG 3.31Å; F337-S340 WeakPolarHBondContact CD1-OG 3.42Å; F337-S340 VanDerWaalsContact O-CB 3.25Å; F337-S340 WeakPolarHBondContact O-CB 3.36Å; F337-S340 PolarHBondContact O-N 2.93Å; F337-S340 PolarHBondContact O-OG 2.7Å
341	C	96.8	Very high	94.8	Very high	13 Å²	13	41.8 Å²	41.8	9%	0.088	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	157.5	173.2	60.9	0	0	0	0	111.2	I313	I313-C341 PolarHBondContact N-O 3.48Å; I313-C341 PolarHBondContact O-N 2.89Å; I313-C341 VanDerWaalsContact O-N 3.1Å
342	F	97.4	Very high	94.8	Very high	21 Å²	21	41 Å²	41	9%	0.092	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	143.2	162.7	-65.9	-81.8	0	0	0	110.1	E233 I237 R311 I312 H344 Q345	E233-F342 VanDerWaalsContact OE1-CD2 3.22Å; E233-F342 WeakPolarHBondContact OE1-CD2 3.32Å; E233-F342 WeakPolarHBondContact OE1-CE2 3.41Å; I237-F342 HydrophobicContact CG1-CD2 4.44Å; I237-F342 HydrophobicContact CG1-CE2 3.85Å; I237-F342 HydrophobicContact CG1-CZ 4.12Å; R311-F342 CarbonylContact O-C 3.51Å; R311-F342 WeakPolarHBondContact O-CA 3.25Å; I312-F342 HydrophobicContact CD1-CD1 4.44Å; I312-F342 HydrophobicContact CD1-CE1 3.86Å; I312-F342 HydrophobicContact CD1-CZ 4.39Å; I312-F342 HydrophobicContact CG1-CD1 3.66Å; I312-F342 HydrophobicContact CG1-CE1 3.59Å; I312-F342 HydrophobicContact CG1-CZ 4.37Å; F342-H344 PolarHBondContact O-N 3.48Å; F342-Q345 HydrophobicContact CB-CG 4.33Å; F342-Q345 CarbonylContact O-C 3.53Å; F342-Q345 PolarHBondContact O-N 2.81Å
343	E	95.7	Very high	94.8	Very high	43 Å²	43	42.1 Å²	42.1	20%	0.201	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.6	-176	177.3	168.2	-126.2	0	0	113.2	R311 I313 R346 L369	R311-E343 HydrophobicContact CB-CB 4.24Å; R311-E343 IonicContact NH1-OE2 2.76Å; R311-E343 PolarHBondContact NH1-OE2 2.81Å; R311-E343 PolarHBondContact O-N 3.44Å; I313-E343 HydrophobicContact CD1-CB 4.3Å; I313-E343 HydrophobicContact CD1-CG 4.48Å; I313-E343 HydrophobicContact CG1-CB 4.34Å; E343-R346 PolarHBondContact O-NH1 2.86Å; E343-R346 PolarHBondContact O-NH2 3.25Å; E343-L369 PolarHBondContact OE1-N 2.91Å
344	H	93.1	Very high	94.8	Very high	133 Å²	133	42.6 Å²	42.6	62%	0.616	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.6	175.6	64.8	-78.5	0	0	0	113.9	F342	F342-H344 PolarHBondContact O-N 3.48Å
345	Q	92.8	Very high	94.8	Very high	70 Å²	70	45 Å²	45	33%	0.327	23%	0.227	S	C	.	.			trans	-117.9	38.1	-174.2	-51.8	-170.7	15.8	0	0	112.6	F342 V347	F342-Q345 HydrophobicContact CB-CG 4.33Å; F342-Q345 CarbonylContact O-C 3.53Å; F342-Q345 PolarHBondContact O-N 2.81Å; Q345-V347 PolarHBondContact O-N 3.05Å
346	R	90.1	Very high	94.8	Very high	74 Å²	74	43.4 Å²	43.4	28%	0.279	22%	0.218	S	C	.	.			trans	-63.9	122.9	175.3	-67.2	172.4	-65.6	-92.2	-33.4	110.9	I313 E343 Y367	I313-R346 HydrophobicContact CD1-CG 4.3Å; E343-R346 PolarHBondContact O-NH1 2.86Å; E343-R346 PolarHBondContact O-NH2 3.25Å; R346-Y367 HydrophobicContact CB-CE1 4.43Å; R346-Y367 HydrophobicContact CB-CE2 4.49Å; R346-Y367 WeakPolarHBondContact CB-OH 3.49Å; R346-Y367 VanDerWaalsContact CD-O 3.3Å; R346-Y367 WeakPolarHBondContact CD-O 3.38Å; R346-Y367 HydrophobicContact CG-CE1 4.38Å; R346-Y367 HydrophobicContact CG-CE2 3.75Å; R346-Y367 PolarHBondContact NH1-O 3.16Å
347	V	84.9	Confident	95	Very high	114 Å²	114	42.3 Å²	42.3	69%	0.691	21%	0.212	S	C	*	.			trans	-107.7	-40.3	-179.8	-178.6	0	0	0	0	113.3	Q345	Q345-V347 PolarHBondContact O-N 3.05Å
348	Y	88.6	Confident	95	Very high	69 Å²	69	42.3 Å²	42.3	27%	0.271	21%	0.212	S	C	.	.			trans	-106.6	139.9	-167.9	-57	-71.2	0	0	0	112.2	Q230 Y367	Q230-Y348 HydrophobicContact CG-CE2 4.38Å; Y348-Y367 WeakPolarHBondContact O-CE1 3.19Å; Y348-Y367 PolarHBondContact O-OH 3.35Å; Y348-Y367 VanDerWaalsContact O-OH 3.09Å
349	T	90.9	Very high	95.2	Very high	125 Å²	125	42.2 Å²	42.2	77%	0.767	21%	0.211	S	C	*	.	S	Bend	trans	-91.4	-27.6	175.7	49.1	0	0	0	0	113.3	V361	T349-V361 WeakPolarHBondContact O-CG1 3.16Å
350	Y	93.3	Very high	95.4	Very high	65 Å²	65	41.2 Å²	41.2	26%	0.255	20%	0.204	S	C	.	.	S	Bend	trans	-103.7	104.1	175.9	-171.6	-85.2	0	0	0	109.2	Y22 R357 E395	Y22-Y350 HydrophobicContact CD1-CD1 4.13Å; Y22-Y350 AromaticContact CD1-CE1 3.42Å; Y22-Y350 HydrophobicContact CD1-CE1 3.42Å; Y22-Y350 VanDerWaalsContact CD1-CE1 3.42Å; Y22-Y350 HydrophobicContact CD2-CD1 4.47Å; Y22-Y350 HydrophobicContact CD2-CE1 4.42Å; Y22-Y350 HydrophobicContact CE1-CD1 4.17Å; Y22-Y350 AromaticContact CE1-CE1 3.74Å; Y22-Y350 HydrophobicContact CE1-CE1 3.74Å; Y22-Y350 HydrophobicContact CG-CD1 4.26Å; Y22-Y350 AromaticContact CG-CE1 3.78Å; Y22-Y350 HydrophobicContact CG-CE1 3.78Å; Y350-R357 PolarHBondContact OH-NH1 3.43Å; Y350-R357 PolarHBondContact OH-NH2 3.03Å; Y350-R357 VanDerWaalsContact OH-NH2 3.15Å; Y350-E395 WeakPolarHBondContact CD2-OE1 3.28Å; Y350-E395 HydrophobicContact CE2-CG 4.12Å; Y350-E395 VanDerWaalsContact CE2-OE1 3.26Å; Y350-E395 WeakPolarHBondContact CE2-OE1 3.4Å
351	I	96.3	Very high	95.4	Very high	15 Å²	15	41.1 Å²	41.1	8%	0.077	20%	0.202	C	C	.	.			trans	-139.4	172.7	-174.9	57.9	170.7	0	0	0	110.8	C315 R357 V361 Y367 I371	C315-I351 HydrophobicContact CB-CB 4.49Å; C315-I351 HydrophobicContact CB-CD1 4.29Å; I351-R357 PolarHBondContact O-NE 3.23Å; I351-V361 HydrophobicContact CD1-CG2 4.26Å; I351-V361 HydrophobicContact CG1-CG1 3.73Å; I351-V361 HydrophobicContact CG1-CG2 4.11Å; I351-Y367 HydrophobicContact CD1-CD1 4.35Å; I351-Y367 HydrophobicContact CD1-CD2 3.82Å; I351-Y367 HydrophobicContact CD1-CE1 4.02Å; I351-Y367 HydrophobicContact CD1-CE2 3.43Å; I351-Y367 VanDerWaalsContact CD1-CE2 3.43Å; I351-Y367 HydrophobicContact CD1-CG 4.27Å; I351-I371 HydrophobicContact CD1-CD1 3.45Å; I351-I371 VanDerWaalsContact CD1-CD1 3.45Å; I351-I371 HydrophobicContact CG1-CD1 4.49Å
352	Q	98.1	Very high	95.5	Very high	11 Å²	11	40.5 Å²	40.5	5%	0.051	20%	0.198	C	C	.	.	S	Bend	trans	63.3	140.8	-175	-53.7	171	-72.4	0	0	114.7	C315 R354 Y356 R357 I371 S375	C315-Q352 WeakPolarHBondContact O-CA 3.4Å; C315-Q352 WeakPolarHBondContact O-CG 3.22Å; C315-Q352 PolarHBondContact O-N 3.17Å; Q352-R354 PolarHBondContact O-N 3.21Å; Q352-Y356 PolarHBondContact NE2-O 2.79Å; Q352-R357 HydrophobicContact CB-CB 4.03Å; Q352-R357 HydrophobicContact CB-CG 4.23Å; Q352-R357 PolarHBondContact O-NE 2.59Å; Q352-R357 PolarHBondContact O-NH2 3.01Å; Q352-I371 HydrophobicContact CG-CD1 4.2Å; Q352-I371 PolarHBondContact NE2-O 3.17Å; Q352-S375 PolarHBondContact NE2-OG 2.99Å
353	S	97.5	Very high	95.6	Very high	22 Å²	22	39.5 Å²	39.5	15%	0.154	19%	0.194	C	C	.	.			trans	-54.3	134.7	160.9	-99	0	0	0	0	111.1	D316 K318 F355 Y356 R357	D316-S353 PolarHBondContact OD1-N 3.38Å; K318-S353 WeakPolarHBondContact CD-OG 3.38Å; S353-F355 PolarHBondContact O-N 3.49Å; S353-Y356 CarbonylContact O-C 3.59Å; S353-Y356 PolarHBondContact O-N 3.47Å; S353-R357 PolarHBondContact O-N 3.17Å; S353-R357 VanDerWaalsContact O-N 3.17Å
354	R	98.4	Very high	95.6	Very high	17 Å²	17	38.4 Å²	38.4	6%	0.064	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-52.6	-47.2	-164.5	-161.6	-171	-57.4	107.4	0.4	114.6	D23 Q352 Y356 R357 G392 E393 Q398	D23-R354 IonicContact OD1-CZ 2.72Å; D23-R354 IonicContact OD1-NH2 3.41Å; D23-R354 PolarHBondContact OD1-NH2 3.35Å; Q352-R354 PolarHBondContact O-N 3.21Å; R354-Y356 PolarHBondContact O-N 2.82Å; R354-Y356 VanDerWaalsContact O-N 3.17Å; R354-R357 VanDerWaalsContact O-CB 3.32Å; R354-R357 WeakPolarHBondContact O-CB 3.36Å; R354-R357 PolarHBondContact O-N 3.22Å; R354-R357 VanDerWaalsContact O-N 3.13Å; R354-G392 WeakPolarHBondContact CD-O 3.43Å; R354-G392 PolarHBondContact NH1-O 3.49Å; R354-E393 VanDerWaalsContact CZ-O 3.26Å; R354-E393 PolarHBondContact NH1-O 3.36Å; R354-Q398 HydrophobicContact CG-CB 4.19Å; R354-Q398 HydrophobicContact CG-CG 4.16Å; R354-Q398 PolarHBondContact O-NE2 3.21Å; R354-Q398 PolarHBondContact O-OE1 3.32Å
355	F	98.8	Very high	95.7	Very high	50 Å²	50	33.1 Å²	33.1	22%	0.219	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-63	-22.7	-177.9	-55.3	-27.5	0	0	0	113.8	S353 P388 F390 P391 G392	S353-F355 PolarHBondContact O-N 3.49Å; F355-P388 HydrophobicContact CB-CB 4.32Å; F355-P388 HydrophobicContact CD2-CB 3.97Å; F355-P388 HydrophobicContact CD2-CG 3.9Å; F355-P388 HydrophobicContact CE2-CG 4.15Å; F355-P388 HydrophobicContact CG-CB 4.22Å; F355-F390 WeakPolarHBondContact CD1-O 3.38Å; F355-P391 HydrophobicContact CE1-CB 4.44Å; F355-G392 WeakPolarHBondContact CE1-O 3.43Å
356	Y	98.9	Very high	95.8	Very high	6 Å²	6	39.5 Å²	39.5	2%	0.024	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-110	7.3	-178	-39.7	-76.3	0	0	0	112	K318 P319 Q352 S353 R354 S375 C378 I379 E382	K318-Y356 HydrophobicContact CB-CD2 3.51Å; K318-Y356 HydrophobicContact CB-CE2 3.5Å; K318-Y356 VanDerWaalsContact CB-CE2 3.5Å; K318-Y356 HydrophobicContact CB-CG 4.2Å; P319-Y356 WeakPolarHBondContact CD-OH 3.38Å; P319-Y356 HydrophobicContact CG-CE1 4.1Å; Q352-Y356 PolarHBondContact NE2-O 2.79Å; S353-Y356 CarbonylContact O-C 3.59Å; S353-Y356 PolarHBondContact O-N 3.47Å; R354-Y356 PolarHBondContact O-N 2.82Å; R354-Y356 VanDerWaalsContact O-N 3.17Å; Y356-S375 PolarHBondContact O-OG 2.7Å; Y356-C378 HydrophobicContact CD1-CB 3.84Å; Y356-I379 HydrophobicContact CD1-CG1 3.88Å; Y356-I379 HydrophobicContact CE1-CG1 4.08Å; Y356-E382 VanDerWaalsContact CE1-OE2 3.28Å; Y356-E382 WeakPolarHBondContact CE1-OE2 3.48Å; Y356-E382 PolarHBondContact OH-OE2 3.26Å
357	R	98.8	Very high	96.2	Very high	5 Å²	5	37 Å²	37	2%	0.019	18%	0.184	C	C	.	.			trans	-76.8	132.3	-177.1	-175.4	178.3	-64.4	154.1	10.5	111.3	Y350 I351 Q352 S353 R354 V361 I362 W374 E395	Y350-R357 PolarHBondContact OH-NH1 3.43Å; Y350-R357 PolarHBondContact OH-NH2 3.03Å; Y350-R357 VanDerWaalsContact OH-NH2 3.15Å; I351-R357 PolarHBondContact O-NE 3.23Å; Q352-R357 HydrophobicContact CB-CB 4.03Å; Q352-R357 HydrophobicContact CB-CG 4.23Å; Q352-R357 PolarHBondContact O-NE 2.59Å; Q352-R357 PolarHBondContact O-NH2 3.01Å; S353-R357 PolarHBondContact O-N 3.17Å; S353-R357 VanDerWaalsContact O-N 3.17Å; R354-R357 VanDerWaalsContact O-CB 3.32Å; R354-R357 WeakPolarHBondContact O-CB 3.36Å; R354-R357 PolarHBondContact O-N 3.22Å; R354-R357 VanDerWaalsContact O-N 3.13Å; R357-V361 HydrophobicContact CG-CB 3.96Å; R357-V361 HydrophobicContact CG-CG1 3.98Å; R357-I362 HydrophobicContact CG-CD1 4.41Å; R357-I362 HydrophobicContact CG-CG1 3.97Å; R357-W374 PolarHBondContact O-NE1 2.89Å; R357-E395 IonicContact CZ-OE1 3.58Å; R357-E395 IonicContact NH1-OE1 2.63Å; R357-E395 PolarHBondContact NH1-OE1 3.34Å
358	A	98.8	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.			trans	-75.2	147.9	-179.1	0	0	0	0	0	112.1	E360 V361 I362 I371 W374	A358-E360 VanDerWaalsContact C-N 3.3Å; A358-E360 WeakPolarHBondContact CB-OE2 3.29Å; A358-E360 PolarHBondContact O-N 3.24Å; A358-V361 HydrophobicContact CB-CG2 4.44Å; A358-V361 WeakPolarHBondContact O-CB 3.38Å; A358-V361 PolarHBondContact O-N 3.32Å; A358-V361 VanDerWaalsContact O-N 3.1Å; A358-I362 PolarHBondContact O-N 2.99Å; A358-I371 HydrophobicContact CB-CB 3.84Å; A358-I371 HydrophobicContact CB-CG2 3.81Å; A358-W374 VanDerWaalsContact CA-CD1 3.49Å; A358-W374 HydrophobicContact CB-CB 3.86Å; A358-W374 HydrophobicContact CB-CD2 4.38Å; A358-W374 HydrophobicContact CB-CG 3.79Å
359	P	98.6	Very high	97.3	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-33.6	-173.7	24.7	-34.5	0	0	0	112.9	V361 I362 L363 W374 L399 W486	P359-V361 PolarHBondContact O-N 3.49Å; P359-I362 PolarHBondContact O-N 3.18Å; P359-L363 HydrophobicContact CB-CD1 4.45Å; P359-L363 WeakPolarHBondContact O-CB 3.38Å; P359-L363 VanDerWaalsContact O-CG 3.25Å; P359-L363 WeakPolarHBondContact O-CG 3.37Å; P359-L363 PolarHBondContact O-N 2.82Å; P359-W374 VanDerWaalsContact CD-CE3 3.49Å; P359-W374 HydrophobicContact CG-CE3 4.1Å; P359-W374 HydrophobicContact CG-CH2 3.97Å; P359-W374 HydrophobicContact CG-CZ2 4.45Å; P359-W374 HydrophobicContact CG-CZ3 3.76Å; P359-L399 HydrophobicContact CB-CD1 4.25Å; P359-W486 HydrophobicContact CB-CE3 3.64Å; P359-W486 HydrophobicContact CB-CZ3 3.46Å; P359-W486 VanDerWaalsContact CB-CZ3 3.46Å; P359-W486 HydrophobicContact CG-CE3 3.85Å; P359-W486 HydrophobicContact CG-CZ3 4.15Å
360	E	98.4	Very high	97.6	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.019	12%	0.119	C	C	.	.	H	α-helix	trans	-62.8	-28.5	176.5	65	-90.6	-142.4	0	0	113.2	A358 G364 S365 I371 R491	A358-E360 VanDerWaalsContact C-N 3.3Å; A358-E360 WeakPolarHBondContact CB-OE2 3.29Å; A358-E360 PolarHBondContact O-N 3.24Å; E360-G364 PolarHBondContact O-N 2.58Å; E360-S365 PolarHBondContact O-N 2.88Å; E360-I371 HydrophobicContact CG-CG2 4.18Å; E360-I371 WeakPolarHBondContact OE1-CG2 3.39Å; E360-R491 IonicContact OE1-CZ 2.76Å; E360-R491 IonicContact OE1-NH1 2.87Å; E360-R491 PolarHBondContact OE1-NH1 3.42Å; E360-R491 IonicContact OE1-NH2 3.38Å; E360-R491 IonicContact OE2-CZ 2.99Å; E360-R491 IonicContact OE2-NH1 3.76Å; E360-R491 PolarHBondContact OE2-NH1 2.84Å; E360-R491 IonicContact OE2-NH2 2.82Å; E360-R491 PolarHBondContact OE2-NH2 2.88Å
361	V	98.4	Very high	97.9	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.03	11%	0.107	C	C	.	.	H	α-helix	trans	-72.2	-47.4	175.6	179.3	0	0	0	0	109.6	T349 I351 R357 A358 P359 G364 Y367 I371	T349-V361 WeakPolarHBondContact O-CG1 3.16Å; I351-V361 HydrophobicContact CD1-CG2 4.26Å; I351-V361 HydrophobicContact CG1-CG1 3.73Å; I351-V361 HydrophobicContact CG1-CG2 4.11Å; R357-V361 HydrophobicContact CG-CB 3.96Å; R357-V361 HydrophobicContact CG-CG1 3.98Å; A358-V361 HydrophobicContact CB-CG2 4.44Å; A358-V361 WeakPolarHBondContact O-CB 3.38Å; A358-V361 PolarHBondContact O-N 3.32Å; A358-V361 VanDerWaalsContact O-N 3.1Å; P359-V361 PolarHBondContact O-N 3.49Å; V361-G364 PolarHBondContact O-N 3Å; V361-Y367 HydrophobicContact CG2-CG 4.42Å; V361-I371 HydrophobicContact CG2-CG2 3.99Å
362	I	98.5	Very high	98	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-61.2	-48.3	176.8	-62	171.4	0	0	0	110.4	R357 A358 P359 G364 E395 Q398 L399 R419 F423	R357-I362 HydrophobicContact CG-CD1 4.41Å; R357-I362 HydrophobicContact CG-CG1 3.97Å; A358-I362 PolarHBondContact O-N 2.99Å; P359-I362 PolarHBondContact O-N 3.18Å; I362-G364 PolarHBondContact O-N 3.05Å; I362-E395 HydrophobicContact CG2-CB 4.22Å; I362-Q398 HydrophobicContact CD1-CB 4.14Å; I362-Q398 HydrophobicContact CD1-CG 3.71Å; I362-L399 HydrophobicContact CD1-CD1 4.47Å; I362-L399 HydrophobicContact CG2-CB 4.38Å; I362-L399 HydrophobicContact CG2-CD1 4.33Å; I362-R419 WeakPolarHBondContact O-CD 3.39Å; I362-R419 PolarHBondContact O-NH1 3.2Å; I362-F423 HydrophobicContact CG2-CE1 4.16Å; I362-F423 HydrophobicContact CG2-CE2 3.88Å; I362-F423 HydrophobicContact CG2-CZ 3.62Å
363	L	98.2	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-9.3	-179.4	-70.3	172.9	0	0	0	113.9	P359 S365 L399 I413 L414 A417 K418 R419 A420 F423	P359-L363 HydrophobicContact CB-CD1 4.45Å; P359-L363 WeakPolarHBondContact O-CB 3.38Å; P359-L363 VanDerWaalsContact O-CG 3.25Å; P359-L363 WeakPolarHBondContact O-CG 3.37Å; P359-L363 PolarHBondContact O-N 2.82Å; L363-S365 VanDerWaalsContact C-N 3.33Å; L363-S365 PolarHBondContact O-N 3.26Å; L363-L399 HydrophobicContact CD2-CD2 3.89Å; L363-L399 HydrophobicContact CG-CD1 4.5Å; L363-L399 HydrophobicContact CG-CD2 4.47Å; L363-I413 HydrophobicContact CD1-CG2 4.33Å; L363-L414 HydrophobicContact CD1-CD2 4.47Å; L363-L414 HydrophobicContact CD2-CD2 4.43Å; L363-A417 HydrophobicContact CB-CB 3.78Å; L363-A417 CarbonylContact O-C 3.59Å; L363-A417 WeakPolarHBondContact O-CB 3.36Å; L363-K418 PolarHBondContact O-N 3.16Å; L363-R419 WeakPolarHBondContact O-CA 3.49Å; L363-R419 WeakPolarHBondContact O-CB 3.33Å; L363-R419 PolarHBondContact O-N 2.95Å; L363-A420 HydrophobicContact CD2-CB 4.44Å; L363-F423 HydrophobicContact CD2-CD2 4.03Å
364	G	96.8	Very high	98.1	Very high	20 Å²	20	20 Å²	20	21%	0.206	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	28.2	178.6	0	0	0	0	0	114.3	E360 V361 I362 K418	E360-G364 PolarHBondContact O-N 2.58Å; V361-G364 PolarHBondContact O-N 3Å; I362-G364 PolarHBondContact O-N 3.05Å; G364-K418 WeakPolarHBondContact O-CB 3.39Å; G364-K418 WeakPolarHBondContact O-CG 3.46Å
365	S	95.6	Very high	98.2	Very high	22 Å²	22	19.2 Å²	19.2	15%	0.154	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-79	172.1	170	-67.1	0	0	0	0	110.8	E360 L363 Y367 A417	E360-S365 PolarHBondContact O-N 2.88Å; L363-S365 VanDerWaalsContact C-N 3.33Å; L363-S365 PolarHBondContact O-N 3.26Å; S365-Y367 PolarHBondContact O-N 2.58Å; S365-A417 VanDerWaalsContact OG-CA 3.24Å; S365-A417 WeakPolarHBondContact OG-CA 3.5Å; S365-A417 WeakPolarHBondContact OG-CB 3.5Å
366	R	94.8	Very high	98.2	Very high	203 Å²	203	16.9 Å²	16.9	77%	0.766	8%	0.083	S	C	*	.	P	Polyproline II helix	trans	-71	118.6	173	179.2	177.7	174.9	174.8	-3.2	109.8
367	Y	97.1	Very high	98.2	Very high	22 Å²	22	16.6 Å²	16.6	9%	0.086	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-95.4	165.2	175.6	76.8	-94.1	0	0	0	112.8	I313 R346 Y348 I351 V361 S365 I371	I313-Y367 HydrophobicContact CD1-CD2 4.17Å; I313-Y367 HydrophobicContact CD1-CE2 3.95Å; R346-Y367 HydrophobicContact CB-CE1 4.43Å; R346-Y367 HydrophobicContact CB-CE2 4.49Å; R346-Y367 WeakPolarHBondContact CB-OH 3.49Å; R346-Y367 VanDerWaalsContact CD-O 3.3Å; R346-Y367 WeakPolarHBondContact CD-O 3.38Å; R346-Y367 HydrophobicContact CG-CE1 4.38Å; R346-Y367 HydrophobicContact CG-CE2 3.75Å; R346-Y367 PolarHBondContact NH1-O 3.16Å; Y348-Y367 WeakPolarHBondContact O-CE1 3.19Å; Y348-Y367 PolarHBondContact O-OH 3.35Å; Y348-Y367 VanDerWaalsContact O-OH 3.09Å; I351-Y367 HydrophobicContact CD1-CD1 4.35Å; I351-Y367 HydrophobicContact CD1-CD2 3.82Å; I351-Y367 HydrophobicContact CD1-CE1 4.02Å; I351-Y367 HydrophobicContact CD1-CE2 3.43Å; I351-Y367 VanDerWaalsContact CD1-CE2 3.43Å; I351-Y367 HydrophobicContact CD1-CG 4.27Å; V361-Y367 HydrophobicContact CG2-CG 4.42Å; S365-Y367 PolarHBondContact O-N 2.58Å; Y367-I371 HydrophobicContact CD2-CD1 3.91Å; Y367-I371 HydrophobicContact CD2-CG2 4.38Å; Y367-I371 HydrophobicContact CE2-CD1 4.29Å
368	G	97.9	Very high	98.2	Very high	8 Å²	8	16.4 Å²	16.4	8%	0.082	8%	0.081	C	C	.	.			trans	-162.2	-157.2	179.5	0	0	0	0	0	111.4	P370 I371	G368-P370 VanDerWaalsContact C-N 3.28Å; G368-P370 VanDerWaalsContact O-N 3.15Å; G368-I371 PolarHBondContact O-N 3.48Å
369	L	98.4	Very high	98.2	Very high	11 Å²	11	16.4 Å²	16.4	6%	0.058	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-33.6	177.6	-58.7	163.7	0	0	0	115.6	Y308 I312 I313 E343 I371 D372	Y308-L369 HydrophobicContact CD2-CB 4.04Å; Y308-L369 HydrophobicContact CD2-CD1 3.69Å; Y308-L369 HydrophobicContact CD2-CG 4.38Å; Y308-L369 HydrophobicContact CE2-CB 4.35Å; Y308-L369 HydrophobicContact CE2-CD1 3.88Å; Y308-L369 HydrophobicContact CG-CD1 4.34Å; I312-L369 WeakPolarHBondContact O-CD2 3.37Å; I313-L369 HydrophobicContact CG1-CD2 3.93Å; I313-L369 HydrophobicContact CG1-CG 4.43Å; E343-L369 PolarHBondContact OE1-N 2.91Å; L369-I371 PolarHBondContact O-N 3.25Å; L369-I371 VanDerWaalsContact O-N 3.08Å; L369-D372 PolarHBondContact O-N 3.06Å
370	P	98.8	Very high	98.2	Very high	34 Å²	34	16.3 Å²	16.3	22%	0.221	8%	0.081	C	C	.	.	H	α-helix	trans	-64.7	-9.1	-179	-25.7	36.8	0	0	0	116.6	G368 D372 W374 P488 R491	G368-P370 VanDerWaalsContact C-N 3.28Å; G368-P370 VanDerWaalsContact O-N 3.15Å; P370-D372 VanDerWaalsContact C-N 3.33Å; P370-W374 PolarHBondContact O-N 3.19Å; P370-P488 HydrophobicContact CB-CB 3.81Å; P370-P488 VanDerWaalsContact CB-O 3.3Å; P370-P488 WeakPolarHBondContact CB-O 3.11Å; P370-P488 HydrophobicContact CG-CB 4.15Å; P370-P488 WeakPolarHBondContact CG-O 3.15Å; P370-R491 PolarHBondContact O-NH1 3.25Å
371	I	98.9	Very high	98.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-69	-33.1	175.9	73	176.5	0	0	0	112.1	I313 I351 Q352 A358 E360 V361 Y367 G368 L369 M373 W374 S375	I313-I371 HydrophobicContact CG2-CD1 3.58Å; I313-I371 HydrophobicContact CG2-CG1 3.61Å; I351-I371 HydrophobicContact CD1-CD1 3.45Å; I351-I371 VanDerWaalsContact CD1-CD1 3.45Å; I351-I371 HydrophobicContact CG1-CD1 4.49Å; Q352-I371 HydrophobicContact CG-CD1 4.2Å; Q352-I371 PolarHBondContact NE2-O 3.17Å; A358-I371 HydrophobicContact CB-CB 3.84Å; A358-I371 HydrophobicContact CB-CG2 3.81Å; E360-I371 HydrophobicContact CG-CG2 4.18Å; E360-I371 WeakPolarHBondContact OE1-CG2 3.39Å; V361-I371 HydrophobicContact CG2-CG2 3.99Å; Y367-I371 HydrophobicContact CD2-CD1 3.91Å; Y367-I371 HydrophobicContact CD2-CG2 4.38Å; Y367-I371 HydrophobicContact CE2-CD1 4.29Å; G368-I371 PolarHBondContact O-N 3.48Å; L369-I371 PolarHBondContact O-N 3.25Å; L369-I371 VanDerWaalsContact O-N 3.08Å; I371-M373 VanDerWaalsContact C-N 3.33Å; I371-W374 WeakPolarHBondContact O-CB 3.43Å; I371-W374 PolarHBondContact O-N 2.91Å; I371-S375 PolarHBondContact O-N 3.44Å; I371-S375 PolarHBondContact O-OG 2.8Å
372	D	98.9	Very high	98.2	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.032	8%	0.079	C	C	.	.	H	α-helix	trans	-74.9	-29.6	-179	-61.2	-37.1	0	0	0	110.8	L304 I313 H314 C315 L369 P370 S375 F376	L304-D372 HydrophobicContact CD2-CB 4.03Å; I313-D372 WeakPolarHBondContact CA-OD2 3.43Å; I313-D372 WeakPolarHBondContact CG2-OD2 3.33Å; H314-D372 WeakPolarHBondContact CB-OD1 3.32Å; H314-D372 PolarHBondContact N-OD2 2.84Å; C315-D372 PolarHBondContact N-OD1 3.2Å; C315-D372 VanDerWaalsContact N-OD1 3.08Å; L369-D372 PolarHBondContact O-N 3.06Å; P370-D372 VanDerWaalsContact C-N 3.33Å; D372-S375 PolarHBondContact O-N 3.39Å; D372-F376 WeakPolarHBondContact O-CB 3.49Å; D372-F376 PolarHBondContact O-N 3.33Å
373	M	98.9	Very high	98.3	Very high	5 Å²	5	16 Å²	16	3%	0.025	8%	0.079	C	C	.	.	H	α-helix	trans	-69.9	-32.1	172.3	-73.4	-60.8	-57.3	0	0	112.4	L301 L304 I371 F376 G377 L492 P494 A497	L301-M373 HydrophobicContact CD2-CE 4.11Å; L301-M373 HydrophobicContact CD2-SD 4.03Å; L304-M373 HydrophobicContact CD1-SD 3.84Å; I371-M373 VanDerWaalsContact C-N 3.33Å; M373-F376 HydrophobicContact CE-CD1 3.71Å; M373-F376 HydrophobicContact CE-CE1 3.97Å; M373-F376 HydrophobicContact SD-CD1 4.17Å; M373-G377 PolarHBondContact O-N 3.36Å; M373-L492 HydrophobicContact CE-CB 4.07Å; M373-L492 WeakPolarHBondContact CE-O 3.4Å; M373-L492 VanDerWaalsContact CG-O 3.28Å; M373-L492 WeakPolarHBondContact CG-O 3.45Å; M373-P494 HydrophobicContact CG-CG 4.37Å; M373-P494 HydrophobicContact SD-CB 4.44Å; M373-P494 HydrophobicContact SD-CG 3.83Å; M373-A497 HydrophobicContact CE-CB 3.88Å
374	W	98.9	Very high	98.3	Very high	1 Å²	1	17.2 Å²	17.2	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-64.5	-51.8	168.3	176.7	-81.1	0	0	0	111.4	R357 A358 P359 P370 I371 F376 G377 C378 F390 V402 L406 L484	R357-W374 PolarHBondContact O-NE1 2.89Å; A358-W374 VanDerWaalsContact CA-CD1 3.49Å; A358-W374 HydrophobicContact CB-CB 3.86Å; A358-W374 HydrophobicContact CB-CD2 4.38Å; A358-W374 HydrophobicContact CB-CG 3.79Å; P359-W374 VanDerWaalsContact CD-CE3 3.49Å; P359-W374 HydrophobicContact CG-CE3 4.1Å; P359-W374 HydrophobicContact CG-CH2 3.97Å; P359-W374 HydrophobicContact CG-CZ2 4.45Å; P359-W374 HydrophobicContact CG-CZ3 3.76Å; P370-W374 PolarHBondContact O-N 3.19Å; I371-W374 WeakPolarHBondContact O-CB 3.43Å; I371-W374 PolarHBondContact O-N 2.91Å; W374-F376 VanDerWaalsContact C-N 3.25Å; W374-F376 PolarHBondContact O-N 3.01Å; W374-G377 PolarHBondContact O-N 3.31Å; W374-G377 VanDerWaalsContact O-N 3.09Å; W374-C378 PolarHBondContact O-N 3.01Å; W374-C378 VanDerWaalsContact O-N 3.09Å; W374-F390 HydrophobicContact CH2-CE2 4.34Å; W374-F390 HydrophobicContact CZ2-CD2 4.2Å; W374-F390 AromaticContact CZ2-CE2 3.76Å; W374-F390 HydrophobicContact CZ2-CE2 3.76Å; W374-V402 HydrophobicContact CH2-CG1 3.6Å; W374-V402 HydrophobicContact CH2-CG2 4.32Å; W374-V402 HydrophobicContact CZ2-CG1 3.97Å; W374-V402 HydrophobicContact CZ2-CG2 3.83Å; W374-L406 HydrophobicContact CH2-CD1 3.66Å; W374-L406 HydrophobicContact CZ3-CD1 4.09Å; W374-L484 HydrophobicContact CD2-CD2 3.72Å; W374-L484 HydrophobicContact CE3-CB 4.32Å; W374-L484 HydrophobicContact CE3-CD2 3.89Å; W374-L484 HydrophobicContact CG-CD2 4.15Å; W374-L484 HydrophobicContact CH2-CB 4.5Å; W374-L484 HydrophobicContact CH2-CD2 4.41Å; W374-L484 HydrophobicContact CZ2-CD2 4.27Å; W374-L484 HydrophobicContact CZ3-CB 4.09Å; W374-L484 HydrophobicContact CZ3-CD2 4.24Å; W374-L484 VanDerWaalsContact CZ3-O 3.28Å; W374-L484 WeakPolarHBondContact CZ3-O 3.32Å; W374-L484 WeakPolarHBondContact O-CD2 3.28Å
375	S	98.9	Very high	98.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-55.4	-43.4	176.7	-59.2	0	0	0	0	111.8	L317 Q352 Y356 I371 D372 C378 I379	L317-S375 WeakPolarHBondContact O-CB 3.28Å; Q352-S375 PolarHBondContact NE2-OG 2.99Å; Y356-S375 PolarHBondContact O-OG 2.7Å; I371-S375 PolarHBondContact O-N 3.44Å; I371-S375 PolarHBondContact O-OG 2.8Å; D372-S375 PolarHBondContact O-N 3.39Å; S375-C378 WeakPolarHBondContact O-CB 3.47Å; S375-C378 PolarHBondContact O-N 2.96Å; S375-I379 WeakPolarHBondContact O-CD1 2.94Å; S375-I379 WeakPolarHBondContact O-CG1 3.23Å; S375-I379 PolarHBondContact O-N 3.09Å
376	F	98.9	Very high	98.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57.8	-46.1	174.9	169.1	-108.4	0	0	0	112.8	A297 I300 L301 L304 L317 D372 M373 W374 C378 I379 L380 F479	A297-F376 HydrophobicContact CB-CE2 4.23Å; A297-F376 HydrophobicContact CB-CZ 4.06Å; I300-F376 HydrophobicContact CB-CD2 4.2Å; I300-F376 HydrophobicContact CB-CE2 4.05Å; I300-F376 HydrophobicContact CG2-CD2 3.68Å; I300-F376 HydrophobicContact CG2-CE2 4.02Å; L301-F376 HydrophobicContact CD1-CE1 4.28Å; L301-F376 HydrophobicContact CD1-CZ 3.74Å; L301-F376 HydrophobicContact CD2-CD1 4.5Å; L301-F376 HydrophobicContact CD2-CE1 3.88Å; L301-F376 HydrophobicContact CD2-CE2 4.42Å; L301-F376 HydrophobicContact CD2-CZ 3.83Å; L301-F376 HydrophobicContact CG-CE1 4.09Å; L301-F376 HydrophobicContact CG-CE2 4Å; L301-F376 HydrophobicContact CG-CZ 3.52Å; L304-F376 HydrophobicContact CD1-CB 3.93Å; L304-F376 HydrophobicContact CD1-CD2 4.23Å; L304-F376 HydrophobicContact CD1-CG 4.07Å; L317-F376 HydrophobicContact CD2-CB 4.08Å; D372-F376 WeakPolarHBondContact O-CB 3.49Å; D372-F376 PolarHBondContact O-N 3.33Å; M373-F376 HydrophobicContact CE-CD1 3.71Å; M373-F376 HydrophobicContact CE-CE1 3.97Å; M373-F376 HydrophobicContact SD-CD1 4.17Å; W374-F376 VanDerWaalsContact C-N 3.25Å; W374-F376 PolarHBondContact O-N 3.01Å; F376-C378 PolarHBondContact O-N 3.3Å; F376-I379 PolarHBondContact O-N 3.47Å; F376-L380 HydrophobicContact CD2-CD2 4.48Å; F376-L380 HydrophobicContact CD2-CG 4.34Å; F376-L380 HydrophobicContact CE1-CD1 3.97Å; F376-L380 HydrophobicContact CE2-CD1 3.99Å; F376-L380 HydrophobicContact CE2-CD2 4.02Å; F376-L380 HydrophobicContact CE2-CG 4.05Å; F376-L380 HydrophobicContact CZ-CD1 3.63Å; F376-L380 HydrophobicContact CZ-CD2 4.47Å; F376-L380 HydrophobicContact CZ-CG 4.2Å; F376-L380 WeakPolarHBondContact O-CG 3.49Å; F376-L380 PolarHBondContact O-N 2.91Å; F376-F479 AromaticContact CE1-CE1 3.55Å; F376-F479 HydrophobicContact CE1-CE1 3.55Å; F376-F479 AromaticContact CE1-CZ 3.61Å; F376-F479 HydrophobicContact CE1-CZ 3.61Å; F376-F479 AromaticContact CZ-CE1 3.96Å; F376-F479 HydrophobicContact CZ-CE1 3.96Å; F376-F479 AromaticContact CZ-CZ 3.98Å; F376-F479 HydrophobicContact CZ-CZ 3.98Å
377	G	98.9	Very high	98.7	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-56.6	-47.2	173.8	0	0	0	0	0	112.6	M373 W374 I379 L380 A381 L480	M373-G377 PolarHBondContact O-N 3.36Å; W374-G377 PolarHBondContact O-N 3.31Å; W374-G377 VanDerWaalsContact O-N 3.09Å; G377-I379 PolarHBondContact O-N 2.82Å; G377-L380 PolarHBondContact O-N 3.27Å; G377-A381 PolarHBondContact O-N 3.42Å; G377-L480 VanDerWaalsContact O-CD2 3.27Å; G377-L480 WeakPolarHBondContact O-CD2 3.1Å
378	C	98.9	Very high	98.8	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-59.6	-45.3	175.5	-64.2	0	0	0	0	112.3	Y356 W374 S375 F376 L380 A381 E382	Y356-C378 HydrophobicContact CD1-CB 3.84Å; W374-C378 PolarHBondContact O-N 3.01Å; W374-C378 VanDerWaalsContact O-N 3.09Å; S375-C378 WeakPolarHBondContact O-CB 3.47Å; S375-C378 PolarHBondContact O-N 2.96Å; F376-C378 PolarHBondContact O-N 3.3Å; C378-L380 PolarHBondContact O-N 3.43Å; C378-A381 PolarHBondContact O-N 3.05Å; C378-E382 PolarHBondContact O-N 2.97Å; C378-E382 VanDerWaalsContact O-N 3.08Å
379	I	98.9	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.6	-42.7	178.9	-69.3	160.9	0	0	0	111.2	L317 P319 I322 Y356 S375 F376 G377 A381 E382 L383	L317-I379 HydrophobicContact CD2-CD1 3.95Å; L317-I379 HydrophobicContact CG-CD1 3.77Å; P319-I379 HydrophobicContact CG-CG1 4.19Å; P319-I379 HydrophobicContact CG-CG2 4.43Å; I322-I379 HydrophobicContact CD1-CD1 4.05Å; I322-I379 HydrophobicContact CD1-CG2 4.27Å; Y356-I379 HydrophobicContact CD1-CG1 3.88Å; Y356-I379 HydrophobicContact CE1-CG1 4.08Å; S375-I379 WeakPolarHBondContact O-CD1 2.94Å; S375-I379 WeakPolarHBondContact O-CG1 3.23Å; S375-I379 PolarHBondContact O-N 3.09Å; F376-I379 PolarHBondContact O-N 3.47Å; G377-I379 PolarHBondContact O-N 2.82Å; I379-A381 PolarHBondContact O-N 2.87Å; I379-E382 PolarHBondContact O-N 3.09Å; I379-L383 HydrophobicContact CG2-CD1 3.84Å; I379-L383 HydrophobicContact CG2-CG 4.17Å; I379-L383 WeakPolarHBondContact O-CB 3.28Å; I379-L383 VanDerWaalsContact O-CG 3.26Å; I379-L383 WeakPolarHBondContact O-CG 3.21Å; I379-L383 PolarHBondContact O-N 2.9Å
380	L	98.9	Very high	98.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-66.6	-37.8	-179.6	-66.3	-167.7	0	0	0	113	V293 A297 F376 G377 C378 E382 L383 L384 F476 F479 L480 W502	V293-L380 HydrophobicContact CG1-CB 4.3Å; V293-L380 HydrophobicContact CG1-CD2 4.11Å; A297-L380 HydrophobicContact CB-CD1 3.77Å; A297-L380 HydrophobicContact CB-CD2 3.68Å; A297-L380 HydrophobicContact CB-CG 4.39Å; F376-L380 HydrophobicContact CD2-CD2 4.48Å; F376-L380 HydrophobicContact CD2-CG 4.34Å; F376-L380 HydrophobicContact CE1-CD1 3.97Å; F376-L380 HydrophobicContact CE2-CD1 3.99Å; F376-L380 HydrophobicContact CE2-CD2 4.02Å; F376-L380 HydrophobicContact CE2-CG 4.05Å; F376-L380 HydrophobicContact CZ-CD1 3.63Å; F376-L380 HydrophobicContact CZ-CD2 4.47Å; F376-L380 HydrophobicContact CZ-CG 4.2Å; F376-L380 WeakPolarHBondContact O-CG 3.49Å; F376-L380 PolarHBondContact O-N 2.91Å; G377-L380 PolarHBondContact O-N 3.27Å; C378-L380 PolarHBondContact O-N 3.43Å; L380-E382 VanDerWaalsContact C-N 3.34Å; L380-L383 HydrophobicContact CD2-CD1 4.15Å; L380-L383 PolarHBondContact O-N 3.2Å; L380-L384 PolarHBondContact O-N 2.76Å; L380-F476 HydrophobicContact CB-CE2 4.22Å; L380-F476 HydrophobicContact CB-CZ 4.23Å; L380-F476 HydrophobicContact CD1-CE2 4.38Å; L380-F479 HydrophobicContact CD1-CD1 4.11Å; L380-F479 HydrophobicContact CD1-CE1 3.56Å; L380-L480 HydrophobicContact CB-CD2 4Å; L380-W502 HydrophobicContact CD1-CH2 3.88Å; L380-W502 HydrophobicContact CD1-CZ3 3.8Å
381	A	98.9	Very high	98.8	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.008	7%	0.065	C	C	.	.	H	α-helix	trans	-65.5	-38.5	174.4	0	0	0	0	0	111.7	G377 C378 I379 L384 T385 L389 L468 L480	G377-A381 PolarHBondContact O-N 3.42Å; C378-A381 PolarHBondContact O-N 3.05Å; I379-A381 PolarHBondContact O-N 2.87Å; A381-L384 PolarHBondContact O-N 3.3Å; A381-T385 WeakPolarHBondContact O-CB 3.29Å; A381-T385 WeakPolarHBondContact O-CG2 3.46Å; A381-T385 PolarHBondContact O-N 2.87Å; A381-T385 PolarHBondContact O-OG1 3.38Å; A381-L389 HydrophobicContact CB-CB 3.95Å; A381-L389 HydrophobicContact CB-CD1 4.19Å; A381-L389 HydrophobicContact CB-CD2 3.85Å; A381-L389 HydrophobicContact CB-CG 4.22Å; A381-L468 HydrophobicContact CB-CD2 3.97Å; A381-L480 HydrophobicContact CB-CD1 4.05Å
382	E	98.9	Very high	98.8	Very high	3 Å²	3	12.9 Å²	12.9	1%	0.014	7%	0.065	C	C	.	.	H	α-helix	trans	-70	-39.5	174.9	178.5	167.2	-170.7	0	0	112.9	I280 Y356 C378 I379 L380 L384 T385 G386 Y387	I280-E382 HydrophobicContact CD1-CG 3.94Å; Y356-E382 VanDerWaalsContact CE1-OE2 3.28Å; Y356-E382 WeakPolarHBondContact CE1-OE2 3.48Å; Y356-E382 PolarHBondContact OH-OE2 3.26Å; C378-E382 PolarHBondContact O-N 2.97Å; C378-E382 VanDerWaalsContact O-N 3.08Å; I379-E382 PolarHBondContact O-N 3.09Å; L380-E382 VanDerWaalsContact C-N 3.34Å; E382-L384 VanDerWaalsContact C-N 3.29Å; E382-L384 PolarHBondContact O-N 2.92Å; E382-T385 PolarHBondContact O-N 3.47Å; E382-G386 WeakPolarHBondContact O-CA 3.46Å; E382-G386 PolarHBondContact O-N 3.24Å; E382-Y387 WeakPolarHBondContact CA-O 3.32Å
383	L	98.9	Very high	98.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.1	-38.1	172.4	-72.4	172.7	0	0	0	111.7	L276 I280 F288 V293 F296 I379 L380	L276-L383 HydrophobicContact CB-CD2 4.18Å; L276-L383 HydrophobicContact CD1-CD1 4.17Å; L276-L383 HydrophobicContact CD1-CD2 4.06Å; I280-L383 HydrophobicContact CD1-CD2 4.08Å; I280-L383 HydrophobicContact CG1-CD2 4.25Å; F288-L383 WeakPolarHBondContact CB-O 3.4Å; F288-L383 HydrophobicContact CD2-CB 4.14Å; F288-L383 HydrophobicContact CD2-CD2 3.81Å; F288-L383 WeakPolarHBondContact CD2-O 3.2Å; F288-L383 HydrophobicContact CE2-CD2 3.64Å; F288-L383 PolarHBondContact N-O 2.85Å; V293-L383 HydrophobicContact CG1-CB 4.35Å; V293-L383 HydrophobicContact CG2-CB 4.18Å; F296-L383 HydrophobicContact CB-CD1 4.11Å; F296-L383 HydrophobicContact CD2-CD1 4.24Å; F296-L383 HydrophobicContact CD2-CD2 4.48Å; I379-L383 HydrophobicContact CG2-CD1 3.84Å; I379-L383 HydrophobicContact CG2-CG 4.17Å; I379-L383 WeakPolarHBondContact O-CB 3.28Å; I379-L383 VanDerWaalsContact O-CG 3.26Å; I379-L383 WeakPolarHBondContact O-CG 3.21Å; I379-L383 PolarHBondContact O-N 2.9Å; L380-L383 HydrophobicContact CD2-CD1 4.15Å; L380-L383 PolarHBondContact O-N 3.2Å
384	L	98.8	Very high	98.6	Very high	25 Å²	25	15 Å²	15	13%	0.131	8%	0.076	C	C	.	.	H	α-helix	trans	-70.4	-47.2	176.4	176.5	63	0	0	0	112.4	G287 F288 L290 V293 L380 A381 E382 L468 C471 F476	G287-L384 WeakPolarHBondContact CA-O 3.37Å; F288-L384 PolarHBondContact N-O 2.81Å; F288-L384 WeakPolarHBondContact O-CD1 3.14Å; L290-L384 HydrophobicContact CD2-CD1 3.88Å; L290-L384 HydrophobicContact CD2-CD2 4.14Å; L290-L384 HydrophobicContact CG-CD1 3.95Å; V293-L384 HydrophobicContact CG2-CB 4.21Å; L380-L384 PolarHBondContact O-N 2.76Å; A381-L384 PolarHBondContact O-N 3.3Å; E382-L384 VanDerWaalsContact C-N 3.29Å; E382-L384 PolarHBondContact O-N 2.92Å; L384-L468 HydrophobicContact CD2-CB 4.48Å; L384-C471 HydrophobicContact CD2-CB 3.82Å; L384-F476 HydrophobicContact CB-CE1 4.41Å; L384-F476 HydrophobicContact CB-CZ 4.47Å; L384-F476 HydrophobicContact CD2-CD1 3.88Å; L384-F476 HydrophobicContact CD2-CE1 3.34Å; L384-F476 HydrophobicContact CD2-CZ 4.16Å; L384-F476 HydrophobicContact CG-CE1 4.47Å
385	T	98.7	Very high	98.5	Very high	8 Å²	8	16.2 Å²	16.2	5%	0.049	8%	0.082	C	C	.	.	H	α-helix	trans	-94.4	-21.1	-168.2	61.5	0	0	0	0	113.9	A381 E382 Y387 K469	A381-T385 WeakPolarHBondContact O-CB 3.29Å; A381-T385 WeakPolarHBondContact O-CG2 3.46Å; A381-T385 PolarHBondContact O-N 2.87Å; A381-T385 PolarHBondContact O-OG1 3.38Å; E382-T385 PolarHBondContact O-N 3.47Å; T385-Y387 WeakPolarHBondContact O-CD2 3.3Å; T385-Y387 PolarHBondContact OG1-N 2.95Å; T385-Y387 PolarHBondContact OG1-O 3.08Å; T385-Y387 VanDerWaalsContact OG1-O 3.1Å; T385-K469 HydrophobicContact CG2-CB 4.44Å; T385-K469 HydrophobicContact CG2-CD 4.43Å; T385-K469 HydrophobicContact CG2-CG 4.12Å; T385-K469 VanDerWaalsContact O-CE 3.3Å; T385-K469 WeakPolarHBondContact O-CE 3.21Å; T385-K469 PolarHBondContact O-NZ 3.38Å
386	G	98.6	Very high	98.5	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.01	10%	0.095	C	C	.	.	S	Bend	trans	82.4	3.6	-169.5	0	0	0	0	0	115.2	F285 E382	F285-G386 WeakPolarHBondContact CD1-O 3.44Å; E382-G386 WeakPolarHBondContact O-CA 3.46Å; E382-G386 PolarHBondContact O-N 3.24Å
387	Y	98.5	Very high	98.5	Very high	123 Å²	123	18.1 Å²	18.1	48%	0.482	10%	0.098	S	C	.	.	S	Bend	trans	-138.6	145.6	-175.4	-66.2	-98	0	0	0	111.7	F285 E382 T385 L389 K469	F285-Y387 HydrophobicContact CB-CE2 3.82Å; F285-Y387 VanDerWaalsContact O-CE2 3.3Å; F285-Y387 WeakPolarHBondContact O-CE2 3.42Å; E382-Y387 WeakPolarHBondContact CA-O 3.32Å; T385-Y387 WeakPolarHBondContact O-CD2 3.3Å; T385-Y387 PolarHBondContact OG1-N 2.95Å; T385-Y387 PolarHBondContact OG1-O 3.08Å; T385-Y387 VanDerWaalsContact OG1-O 3.1Å; Y387-L389 PolarHBondContact O-N 3.19Å; Y387-K469 VanDerWaalsContact CD2-NZ 3.25Å
388	P	98.7	Very high	98.5	Very high	35 Å²	35	18.1 Å²	18.1	23%	0.227	10%	0.098	C	C	.	.			trans	-58.3	131.5	177.4	-23.5	31.3	0	0	0	112.3	F355 F390 P391	F355-P388 HydrophobicContact CB-CB 4.32Å; F355-P388 HydrophobicContact CD2-CB 3.97Å; F355-P388 HydrophobicContact CD2-CG 3.9Å; F355-P388 HydrophobicContact CE2-CG 4.15Å; F355-P388 HydrophobicContact CG-CB 4.22Å; P388-F390 VanDerWaalsContact C-N 3.33Å; P388-F390 PolarHBondContact O-N 2.69Å; P388-P391 HydrophobicContact CB-CB 4.39Å; P388-P391 WeakPolarHBondContact O-CD 3.49Å
389	L	98.7	Very high	98.4	Very high	20 Å²	20	18 Å²	18	11%	0.105	10%	0.098	C	C	.	.	S	Bend	trans	-62.5	-39.4	-179.3	-177.3	63.3	0	0	0	112.6	A381 Y387 P391 L405 A467 L484	A381-L389 HydrophobicContact CB-CB 3.95Å; A381-L389 HydrophobicContact CB-CD1 4.19Å; A381-L389 HydrophobicContact CB-CD2 3.85Å; A381-L389 HydrophobicContact CB-CG 4.22Å; Y387-L389 PolarHBondContact O-N 3.19Å; L389-P391 WeakPolarHBondContact O-CD 3.32Å; L389-L405 HydrophobicContact CD1-CD2 3.84Å; L389-L405 HydrophobicContact CD2-CD2 4.26Å; L389-L405 HydrophobicContact CG-CD2 4.18Å; L389-A467 HydrophobicContact CD1-CB 4.07Å; L389-L484 HydrophobicContact CD2-CD1 3.52Å
390	F	98.8	Very high	98.4	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	10%	0.099	C	C	.	.	S	Bend	trans	-123.9	80.2	-179.4	-56.2	-55.8	0	0	0	110.6	F355 W374 P388 G392 Q398 C401 V402 L405 L406 L484	F355-F390 WeakPolarHBondContact CD1-O 3.38Å; W374-F390 HydrophobicContact CH2-CE2 4.34Å; W374-F390 HydrophobicContact CZ2-CD2 4.2Å; W374-F390 AromaticContact CZ2-CE2 3.76Å; W374-F390 HydrophobicContact CZ2-CE2 3.76Å; P388-F390 VanDerWaalsContact C-N 3.33Å; P388-F390 PolarHBondContact O-N 2.69Å; F390-G392 VanDerWaalsContact C-N 3.33Å; F390-G392 PolarHBondContact O-N 3.34Å; F390-G392 VanDerWaalsContact O-N 3.07Å; F390-Q398 PolarHBondContact O-NE2 2.94Å; F390-Q398 PolarHBondContact O-OE1 3.1Å; F390-Q398 VanDerWaalsContact O-OE1 3.05Å; F390-C401 HydrophobicContact CB-CB 4.05Å; F390-C401 HydrophobicContact CD1-CB 4.06Å; F390-C401 WeakPolarHBondContact CD1-O 3.43Å; F390-V402 HydrophobicContact CB-CG2 4.43Å; F390-V402 HydrophobicContact CD1-CG2 4Å; F390-V402 HydrophobicContact CD2-CG2 3.99Å; F390-V402 HydrophobicContact CE1-CB 4.47Å; F390-V402 HydrophobicContact CE1-CG2 4.19Å; F390-V402 HydrophobicContact CE2-CG2 4.18Å; F390-V402 HydrophobicContact CG-CG2 3.89Å; F390-V402 HydrophobicContact CZ-CG2 4.28Å; F390-L405 HydrophobicContact CE1-CB 4.04Å; F390-L405 HydrophobicContact CE1-CD2 3.7Å; F390-L405 HydrophobicContact CE1-CG 4.46Å; F390-L405 HydrophobicContact CZ-CD2 3.95Å; F390-L406 HydrophobicContact CZ-CD1 4.47Å; F390-L406 HydrophobicContact CZ-CG 4.41Å; F390-L484 HydrophobicContact CE2-CD1 4.19Å; F390-L484 HydrophobicContact CE2-CD2 4.28Å; F390-L484 HydrophobicContact CZ-CD1 4.39Å
391	P	98.3	Very high	98.4	Very high	40 Å²	40	18.3 Å²	18.3	26%	0.26	10%	0.1	S	C	.	.			trans	-85.9	71.4	-177.1	34.8	-33.9	0	0	0	110.9	F355 P388 L389 R456	F355-P391 HydrophobicContact CE1-CB 4.44Å; P388-P391 HydrophobicContact CB-CB 4.39Å; P388-P391 WeakPolarHBondContact O-CD 3.49Å; L389-P391 WeakPolarHBondContact O-CD 3.32Å; P391-R456 PolarHBondContact O-NH2 2.9Å
392	G	98	Very high	98.4	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	10%	0.099	C	C	.	.			trans	-81.4	139.4	179	0	0	0	0	0	114	R354 F355 F390 D397 Q398	R354-G392 WeakPolarHBondContact CD-O 3.43Å; R354-G392 PolarHBondContact NH1-O 3.49Å; F355-G392 WeakPolarHBondContact CE1-O 3.43Å; F390-G392 VanDerWaalsContact C-N 3.33Å; F390-G392 PolarHBondContact O-N 3.34Å; F390-G392 VanDerWaalsContact O-N 3.07Å; G392-D397 WeakPolarHBondContact CA-OD2 3.44Å; G392-Q398 VanDerWaalsContact CA-OE1 3.25Å
393	E	97.1	Very high	98.4	Very high	15 Å²	15	18.3 Å²	18.3	7%	0.07	10%	0.099	C	C	.	.	S	Bend	trans	-77.3	-34.2	-179.4	-70.4	167	-158.2	0	0	112.9	R354 D397 S450 R451 R452	R354-E393 VanDerWaalsContact CZ-O 3.26Å; R354-E393 PolarHBondContact NH1-O 3.36Å; E393-D397 HydrophobicContact CB-CB 4.33Å; E393-D397 PolarHBondContact N-OD2 3.46Å; E393-S450 VanDerWaalsContact CD-CB 3.47Å; E393-S450 VanDerWaalsContact OE1-CB 3.29Å; E393-S450 WeakPolarHBondContact OE1-CB 3.45Å; E393-S450 PolarHBondContact OE1-OG 3.3Å; E393-S450 WeakPolarHBondContact OE2-CB 3.49Å; E393-S450 PolarHBondContact OE2-OG 3.17Å; E393-R451 PolarHBondContact OE2-N 2.77Å; E393-R451 VanDerWaalsContact OE2-N 3.17Å; E393-R452 HydrophobicContact CG-CG 4.42Å; E393-R452 WeakPolarHBondContact OE1-CB 3.28Å; E393-R452 WeakPolarHBondContact OE2-CG 3.18Å; E393-R452 PolarHBondContact OE2-N 2.94Å
394	D	97.4	Very high	98.4	Very high	40 Å²	40	19 Å²	19	21%	0.214	10%	0.103	C	C	.	.	S	Bend	trans	-147.2	-176.1	175.9	51.2	62.7	0	0	0	110	G396 D397 Q398 R451	D394-G396 VanDerWaalsContact C-N 3.29Å; D394-G396 PolarHBondContact O-N 2.92Å; D394-G396 PolarHBondContact OD1-N 3.44Å; D394-D397 PolarHBondContact O-N 3.43Å; D394-D397 PolarHBondContact OD1-N 3.26Å; D394-Q398 WeakPolarHBondContact O-CB 3.29Å; D394-Q398 PolarHBondContact O-N 3.44Å; D394-R451 IonicContact OD2-CZ 3.41Å; D394-R451 IonicContact OD2-NE 3.74Å; D394-R451 PolarHBondContact OD2-NE 3.41Å; D394-R451 IonicContact OD2-NH2 2.7Å; D394-R451 PolarHBondContact OD2-NH2 2.92Å
395	E	97.4	Very high	98.4	Very high	27 Å²	27	18.2 Å²	18.2	13%	0.126	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-32.8	-178.2	-60.9	-155.6	119.4	0	0	114.1	Y350 R357 I362 L399 R419 F423	Y350-E395 WeakPolarHBondContact CD2-OE1 3.28Å; Y350-E395 HydrophobicContact CE2-CG 4.12Å; Y350-E395 VanDerWaalsContact CE2-OE1 3.26Å; Y350-E395 WeakPolarHBondContact CE2-OE1 3.4Å; R357-E395 IonicContact CZ-OE1 3.58Å; R357-E395 IonicContact NH1-OE1 2.63Å; R357-E395 PolarHBondContact NH1-OE1 3.34Å; I362-E395 HydrophobicContact CG2-CB 4.22Å; E395-L399 PolarHBondContact O-N 3.49Å; E395-L399 VanDerWaalsContact O-N 3.16Å; E395-R419 IonicContact OE1-NH1 3.78Å; E395-R419 IonicContact OE2-CZ 3.69Å; E395-R419 IonicContact OE2-NH1 3.93Å; E395-R419 PolarHBondContact OE2-NH1 3.25Å; E395-R419 IonicContact OE2-NH2 3.88Å; E395-R419 PolarHBondContact OE2-NH2 2.92Å; E395-F423 HydrophobicContact CB-CE1 4.44Å; E395-F423 HydrophobicContact CB-CZ 4.44Å
396	G	97.9	Very high	98.4	Very high	27 Å²	27	19.6 Å²	19.6	28%	0.278	11%	0.105	S	C	.	.	H	α-helix	trans	-73.9	-47.9	179.1	0	0	0	0	0	111.3	D394 Q398 L399 A400	D394-G396 VanDerWaalsContact C-N 3.29Å; D394-G396 PolarHBondContact O-N 2.92Å; D394-G396 PolarHBondContact OD1-N 3.44Å; G396-Q398 VanDerWaalsContact C-N 3.31Å; G396-Q398 PolarHBondContact O-N 3.07Å; G396-L399 PolarHBondContact O-N 2.92Å; G396-A400 PolarHBondContact O-N 3.47Å
397	D	98.6	Very high	98.3	Very high	12 Å²	12	20.3 Å²	20.3	6%	0.064	11%	0.113	C	C	.	.	H	α-helix	trans	-67.1	-31.5	175.9	-174.3	59	0	0	0	112.3	G392 E393 D394 A400 C401 S450 R456	G392-D397 WeakPolarHBondContact CA-OD2 3.44Å; E393-D397 HydrophobicContact CB-CB 4.33Å; E393-D397 PolarHBondContact N-OD2 3.46Å; D394-D397 PolarHBondContact O-N 3.43Å; D394-D397 PolarHBondContact OD1-N 3.26Å; D397-A400 WeakPolarHBondContact O-CB 3.32Å; D397-A400 PolarHBondContact O-N 2.98Å; D397-C401 PolarHBondContact O-N 2.76Å; D397-C401 PolarHBondContact O-SG 2.93Å; D397-S450 WeakPolarHBondContact OD1-CB 3.24Å; D397-R456 IonicContact OD1-CZ 3.05Å; D397-R456 IonicContact OD1-NE 2.76Å; D397-R456 PolarHBondContact OD1-NE 3.02Å; D397-R456 IonicContact OD1-NH2 3.09Å; D397-R456 PolarHBondContact OD1-NH2 2.95Å; D397-R456 IonicContact OD2-CZ 3.48Å; D397-R456 IonicContact OD2-NE 2.64Å; D397-R456 IonicContact OD2-NH2 2.99Å; D397-R456 PolarHBondContact OD2-NH2 3Å
398	Q	98.8	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.7	-48.8	170.2	-173.1	67.2	31.2	0	0	111	R354 I362 F390 G392 D394 G396 A400 C401 V402	R354-Q398 HydrophobicContact CG-CB 4.19Å; R354-Q398 HydrophobicContact CG-CG 4.16Å; R354-Q398 PolarHBondContact O-NE2 3.21Å; R354-Q398 PolarHBondContact O-OE1 3.32Å; I362-Q398 HydrophobicContact CD1-CB 4.14Å; I362-Q398 HydrophobicContact CD1-CG 3.71Å; F390-Q398 PolarHBondContact O-NE2 2.94Å; F390-Q398 PolarHBondContact O-OE1 3.1Å; F390-Q398 VanDerWaalsContact O-OE1 3.05Å; G392-Q398 VanDerWaalsContact CA-OE1 3.25Å; D394-Q398 WeakPolarHBondContact O-CB 3.29Å; D394-Q398 PolarHBondContact O-N 3.44Å; G396-Q398 VanDerWaalsContact C-N 3.31Å; G396-Q398 PolarHBondContact O-N 3.07Å; Q398-A400 VanDerWaalsContact C-N 3.3Å; Q398-A400 PolarHBondContact O-N 3.43Å; Q398-C401 WeakPolarHBondContact O-CB 3.43Å; Q398-C401 PolarHBondContact O-N 3.38Å; Q398-V402 WeakPolarHBondContact O-CG2 3.23Å; Q398-V402 PolarHBondContact O-N 3.26Å
399	L	98.4	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.4	-31.5	177.5	-158.6	72.5	0	0	0	112	P359 I362 L363 E395 G396 V402 M403 F423 W486	P359-L399 HydrophobicContact CB-CD1 4.25Å; I362-L399 HydrophobicContact CD1-CD1 4.47Å; I362-L399 HydrophobicContact CG2-CB 4.38Å; I362-L399 HydrophobicContact CG2-CD1 4.33Å; L363-L399 HydrophobicContact CD2-CD2 3.89Å; L363-L399 HydrophobicContact CG-CD1 4.5Å; L363-L399 HydrophobicContact CG-CD2 4.47Å; E395-L399 PolarHBondContact O-N 3.49Å; E395-L399 VanDerWaalsContact O-N 3.16Å; G396-L399 PolarHBondContact O-N 2.92Å; L399-V402 PolarHBondContact O-N 3.37Å; L399-M403 HydrophobicContact CB-CE 4.35Å; L399-M403 HydrophobicContact CD2-CE 4.14Å; L399-M403 HydrophobicContact CG-CE 3.98Å; L399-M403 WeakPolarHBondContact O-CE 3.28Å; L399-M403 WeakPolarHBondContact O-CG 3.07Å; L399-M403 PolarHBondContact O-N 3.29Å; L399-F423 HydrophobicContact CD2-CB 3.66Å; L399-F423 HydrophobicContact CD2-CD1 4.22Å; L399-F423 HydrophobicContact CD2-CD2 4.13Å; L399-F423 HydrophobicContact CD2-CG 3.74Å; L399-W486 HydrophobicContact CD1-CH2 4.05Å; L399-W486 HydrophobicContact CD1-CZ3 3.92Å
400	A	98.6	Very high	98.1	Very high	2 Å²	2	18 Å²	18	2%	0.017	11%	0.11	C	C	.	.	H	α-helix	trans	-63	-43.4	171.6	0	0	0	0	0	112.2	G396 D397 Q398 V402 M403 E404 Y432 R456	G396-A400 PolarHBondContact O-N 3.47Å; D397-A400 WeakPolarHBondContact O-CB 3.32Å; D397-A400 PolarHBondContact O-N 2.98Å; Q398-A400 VanDerWaalsContact C-N 3.3Å; Q398-A400 PolarHBondContact O-N 3.43Å; A400-V402 VanDerWaalsContact C-N 3.26Å; A400-V402 PolarHBondContact O-N 2.91Å; A400-M403 PolarHBondContact O-N 2.85Å; A400-E404 WeakPolarHBondContact O-CB 3.27Å; A400-E404 PolarHBondContact O-N 2.57Å; A400-Y432 HydrophobicContact CB-CD1 3.77Å; A400-Y432 HydrophobicContact CB-CD2 3.83Å; A400-Y432 HydrophobicContact CB-CE1 4.07Å; A400-Y432 HydrophobicContact CB-CE2 4.1Å; A400-Y432 HydrophobicContact CB-CG 3.66Å; A400-R456 HydrophobicContact CB-CG 4.34Å
401	C	98.8	Very high	98	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.02	14%	0.135	C	C	.	.	H	α-helix	trans	-59.1	-38.8	173.7	-64.3	0	0	0	0	112.2	F390 D397 Q398 R456	F390-C401 HydrophobicContact CB-CB 4.05Å; F390-C401 HydrophobicContact CD1-CB 4.06Å; F390-C401 WeakPolarHBondContact CD1-O 3.43Å; D397-C401 PolarHBondContact O-N 2.76Å; D397-C401 PolarHBondContact O-SG 2.93Å; Q398-C401 WeakPolarHBondContact O-CB 3.43Å; Q398-C401 PolarHBondContact O-N 3.38Å; C401-R456 PolarHBondContact SG-NH1 2.81Å; C401-R456 PolarHBondContact SG-NH2 3.14Å; C401-R456 VanDerWaalsContact SG-NH2 3.37Å
402	V	98.8	Very high	97.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-69.8	-47.6	178.9	178.3	0	0	0	0	110.6	W374 F390 Q398 L399 A400 E404 L405 L406 W486	W374-V402 HydrophobicContact CH2-CG1 3.6Å; W374-V402 HydrophobicContact CH2-CG2 4.32Å; W374-V402 HydrophobicContact CZ2-CG1 3.97Å; W374-V402 HydrophobicContact CZ2-CG2 3.83Å; F390-V402 HydrophobicContact CB-CG2 4.43Å; F390-V402 HydrophobicContact CD1-CG2 4Å; F390-V402 HydrophobicContact CD2-CG2 3.99Å; F390-V402 HydrophobicContact CE1-CB 4.47Å; F390-V402 HydrophobicContact CE1-CG2 4.19Å; F390-V402 HydrophobicContact CE2-CG2 4.18Å; F390-V402 HydrophobicContact CG-CG2 3.89Å; F390-V402 HydrophobicContact CZ-CG2 4.28Å; Q398-V402 WeakPolarHBondContact O-CG2 3.23Å; Q398-V402 PolarHBondContact O-N 3.26Å; L399-V402 PolarHBondContact O-N 3.37Å; A400-V402 VanDerWaalsContact C-N 3.26Å; A400-V402 PolarHBondContact O-N 2.91Å; V402-E404 VanDerWaalsContact C-N 3.34Å; V402-E404 PolarHBondContact O-N 2.84Å; V402-L405 PolarHBondContact O-N 2.84Å; V402-L406 HydrophobicContact CG1-CD1 3.6Å; V402-L406 HydrophobicContact CG1-CG 4.11Å; V402-L406 WeakPolarHBondContact O-CB 3.48Å; V402-L406 WeakPolarHBondContact O-CG 3.5Å; V402-L406 PolarHBondContact O-N 3.43Å; V402-W486 HydrophobicContact CB-CH2 4.18Å; V402-W486 HydrophobicContact CG1-CH2 3.46Å; V402-W486 VanDerWaalsContact CG1-CH2 3.46Å; V402-W486 HydrophobicContact CG1-CZ2 3.62Å; V402-W486 HydrophobicContact CG1-CZ3 4.02Å
403	M	98.7	Very high	97.7	Very high	3 Å²	3	27 Å²	27	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-37.9	178.3	-72	-177	-74.1	0	0	112.7	L399 A400 L405 G407 M408 P430 Y432 P459 G460 W486	L399-M403 HydrophobicContact CB-CE 4.35Å; L399-M403 HydrophobicContact CD2-CE 4.14Å; L399-M403 HydrophobicContact CG-CE 3.98Å; L399-M403 WeakPolarHBondContact O-CE 3.28Å; L399-M403 WeakPolarHBondContact O-CG 3.07Å; L399-M403 PolarHBondContact O-N 3.29Å; A400-M403 PolarHBondContact O-N 2.85Å; M403-L405 VanDerWaalsContact C-N 3.26Å; M403-L405 PolarHBondContact O-N 3.01Å; M403-G407 WeakPolarHBondContact CA-O 3.48Å; M403-G407 WeakPolarHBondContact O-CA 3.18Å; M403-G407 PolarHBondContact O-N 3.43Å; M403-M408 HydrophobicContact SD-SD 3.8Å; M403-P430 HydrophobicContact CE-CB 3.97Å; M403-P430 HydrophobicContact SD-CB 3.89Å; M403-Y432 HydrophobicContact CB-CE1 4.23Å; M403-Y432 HydrophobicContact CE-CD1 3.68Å; M403-Y432 HydrophobicContact CE-CE1 3.57Å; M403-Y432 HydrophobicContact SD-CE1 4.33Å; M403-P459 HydrophobicContact CB-CB 4.41Å; M403-P459 CarbonylContact O-C 3.25Å; M403-P459 VanDerWaalsContact O-CA 3.24Å; M403-P459 WeakPolarHBondContact O-CA 3.41Å; M403-G460 PolarHBondContact O-N 3.1Å; M403-W486 HydrophobicContact CG-CH2 3.77Å; M403-W486 HydrophobicContact CG-CZ2 3.81Å
404	E	98.7	Very high	97.6	Very high	15 Å²	15	27.2 Å²	27.2	7%	0.07	15%	0.148	C	C	.	.	H	α-helix	trans	-55.4	-37.5	176.7	-174.8	-171.8	-134	0	0	112.8	A400 V402 R456 G457 G460 S461 K462	A400-E404 WeakPolarHBondContact O-CB 3.27Å; A400-E404 PolarHBondContact O-N 2.57Å; V402-E404 VanDerWaalsContact C-N 3.34Å; V402-E404 PolarHBondContact O-N 2.84Å; E404-R456 WeakPolarHBondContact OE1-CA 3.49Å; E404-G457 PolarHBondContact OE1-N 2.98Å; E404-G460 CarbonylContact O-C 3.51Å; E404-G460 VanDerWaalsContact O-C 3.31Å; E404-G460 VanDerWaalsContact O-CA 3.31Å; E404-G460 WeakPolarHBondContact O-CA 3.48Å; E404-G460 PolarHBondContact O-N 3.25Å; E404-S461 PolarHBondContact O-N 2.94Å; E404-K462 HydrophobicContact CG-CB 3.86Å; E404-K462 PolarHBondContact O-N 3.1Å; E404-K462 IonicContact OE1-NZ 2.81Å; E404-K462 WeakPolarHBondContact OE2-CE 3.42Å; E404-K462 IonicContact OE2-NZ 2.69Å; E404-K462 PolarHBondContact OE2-NZ 2.78Å
405	L	98.6	Very high	97.4	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-95.2	-36.7	179.9	-179.1	61.5	0	0	0	114	L389 F390 V402 M403 K462 W464 A467	L389-L405 HydrophobicContact CD1-CD2 3.84Å; L389-L405 HydrophobicContact CD2-CD2 4.26Å; L389-L405 HydrophobicContact CG-CD2 4.18Å; F390-L405 HydrophobicContact CE1-CB 4.04Å; F390-L405 HydrophobicContact CE1-CD2 3.7Å; F390-L405 HydrophobicContact CE1-CG 4.46Å; F390-L405 HydrophobicContact CZ-CD2 3.95Å; V402-L405 PolarHBondContact O-N 2.84Å; M403-L405 VanDerWaalsContact C-N 3.26Å; M403-L405 PolarHBondContact O-N 3.01Å; L405-K462 HydrophobicContact CD1-CD 4.45Å; L405-K462 HydrophobicContact CD1-CG 4.14Å; L405-K462 WeakPolarHBondContact CD1-O 3.07Å; L405-W464 HydrophobicContact CD1-CD2 4.02Å; L405-W464 HydrophobicContact CD1-CG 4.13Å; L405-W464 HydrophobicContact CD2-CE3 4.47Å; L405-W464 HydrophobicContact CD2-CH2 4.18Å; L405-W464 HydrophobicContact CD2-CZ2 4.26Å; L405-W464 HydrophobicContact CD2-CZ3 4.27Å; L405-W464 HydrophobicContact CG-CD2 4.46Å; L405-W464 HydrophobicContact CG-CZ2 4.17Å; L405-A467 HydrophobicContact CD1-CB 3.83Å; L405-A467 HydrophobicContact CD2-CB 4.18Å
406	L	98.5	Very high	97.2	Very high	37 Å²	37	36.3 Å²	36.3	19%	0.194	19%	0.189	C	C	.	.	H	α-helix	trans	-101.1	-3.2	-170.7	-55.6	-169.9	0	0	0	114.3	W374 F390 V402 W464 L484 W486	W374-L406 HydrophobicContact CH2-CD1 3.66Å; W374-L406 HydrophobicContact CZ3-CD1 4.09Å; F390-L406 HydrophobicContact CZ-CD1 4.47Å; F390-L406 HydrophobicContact CZ-CG 4.41Å; V402-L406 HydrophobicContact CG1-CD1 3.6Å; V402-L406 HydrophobicContact CG1-CG 4.11Å; V402-L406 WeakPolarHBondContact O-CB 3.48Å; V402-L406 WeakPolarHBondContact O-CG 3.5Å; V402-L406 PolarHBondContact O-N 3.43Å; L406-W464 HydrophobicContact CD2-CH2 3.97Å; L406-W464 HydrophobicContact CD2-CZ2 3.38Å; L406-L484 HydrophobicContact CD1-CB 4.45Å; L406-L484 WeakPolarHBondContact CD1-O 3.37Å; L406-W486 HydrophobicContact CB-CZ2 4.26Å
407	G	98.3	Very high	97.1	Very high	16 Å²	16	35.5 Å²	35.5	17%	0.165	18%	0.18	C	C	.	.			trans	72.9	-169.1	-168.8	0	0	0	0	0	112.4	M403 W486	M403-G407 WeakPolarHBondContact CA-O 3.48Å; M403-G407 WeakPolarHBondContact O-CA 3.18Å; M403-G407 PolarHBondContact O-N 3.43Å; G407-W486 WeakPolarHBondContact O-CZ2 3.19Å
408	M	97.9	Very high	97.1	Very high	63 Å²	63	44.1 Å²	44.1	31%	0.31	22%	0.217	S	C	.	.	S	Bend	trans	-71.6	143.6	179.4	-72.3	-65.2	-69.7	0	0	111.8	M403 I424 G428 P430 P459	M403-M408 HydrophobicContact SD-SD 3.8Å; M408-I424 HydrophobicContact CE-CD1 3.75Å; M408-I424 HydrophobicContact CE-CG1 4.29Å; M408-G428 VanDerWaalsContact CE-O 3.29Å; M408-G428 WeakPolarHBondContact CE-O 3.33Å; M408-P430 HydrophobicContact CE-CB 4.39Å; M408-P430 HydrophobicContact CE-CG 4.47Å; M408-P430 HydrophobicContact SD-CB 4.04Å; M408-P430 HydrophobicContact SD-CG 3.84Å; M408-P459 HydrophobicContact CG-CB 3.83Å; M408-P459 HydrophobicContact CG-CG 3.92Å; M408-P459 HydrophobicContact SD-CB 3.99Å; M408-P459 HydrophobicContact SD-CG 3.53Å; M408-P459 VanDerWaalsContact SD-CG 3.53Å
409	P	97.2	Very high	97	Very high	6 Å²	6	48 Å²	48	4%	0.039	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-58.6	141.8	167.6	23.1	-33.3	0	0	0	111.5	L414 I424 W486	P409-L414 HydrophobicContact CB-CD2 4.01Å; P409-L414 HydrophobicContact CB-CG 4.33Å; P409-L414 HydrophobicContact CG-CD1 4.18Å; P409-L414 HydrophobicContact CG-CD2 3.59Å; P409-L414 HydrophobicContact CG-CG 4.07Å; P409-I424 HydrophobicContact CG-CD1 3.92Å; P409-W486 HydrophobicContact CB-CD2 3.76Å; P409-W486 HydrophobicContact CB-CE3 3.67Å; P409-W486 HydrophobicContact CB-CG 4.3Å; P409-W486 HydrophobicContact CB-CH2 4.21Å; P409-W486 HydrophobicContact CB-CZ2 4.31Å; P409-W486 HydrophobicContact CB-CZ3 3.89Å; P409-W486 HydrophobicContact CG-CH2 4.26Å; P409-W486 HydrophobicContact CG-CZ2 4.48Å; P409-W486 HydrophobicContact CG-CZ3 4.28Å
410	P	96.6	Very high	97	Very high	61 Å²	61	48.5 Å²	48.5	40%	0.396	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-59.5	142.4	175.8	-23.5	33.2	0	0	0	112.5	K412 I413 L414 W486	P410-K412 VanDerWaalsContact C-N 3.29Å; P410-K412 PolarHBondContact O-N 2.84Å; P410-I413 HydrophobicContact CB-CG1 4.27Å; P410-I413 HydrophobicContact CG-CG1 4.4Å; P410-I413 WeakPolarHBondContact O-CA 3.29Å; P410-I413 WeakPolarHBondContact O-CB 3.43Å; P410-I413 PolarHBondContact O-N 3.29Å; P410-L414 PolarHBondContact O-N 2.87Å; P410-W486 VanDerWaalsContact CD-CB 3.48Å; P410-W486 HydrophobicContact CG-CB 4.3Å
411	Q	95.1	Very high	96.9	Very high	114 Å²	114	56.6 Å²	56.6	53%	0.533	27%	0.271	S	S	.	.	H	α-helix	trans	-52.3	-42.2	-176.3	178.6	59.6	19.5	0	0	113.6	I413 L414 E415	Q411-I413 PolarHBondContact O-N 2.99Å; Q411-L414 WeakPolarHBondContact O-CB 3.47Å; Q411-L414 PolarHBondContact O-N 3.47Å; Q411-E415 VanDerWaalsContact CG-OE1 3.3Å; Q411-E415 WeakPolarHBondContact CG-OE1 3.48Å; Q411-E415 PolarHBondContact NE2-OE1 3.02Å; Q411-E415 WeakPolarHBondContact O-CG 3.49Å; Q411-E415 PolarHBondContact O-N 3.49Å
412	K	94.8	Very high	96.8	Very high	108 Å²	108	61.4 Å²	61.4	47%	0.47	30%	0.296	S	S	.	.	H	α-helix	trans	-52.8	-36.1	173.5	176.4	-167.1	166.6	-148.9	0	113.4	P410 Q416 D487	P410-K412 VanDerWaalsContact C-N 3.29Å; P410-K412 PolarHBondContact O-N 2.84Å; K412-Q416 WeakPolarHBondContact O-CG 3.49Å; K412-D487 IonicContact NZ-OD2 3.21Å; K412-D487 PolarHBondContact NZ-OD2 3.22Å
413	I	94.9	Very high	96.8	Very high	9 Å²	9	62.4 Å²	62.4	5%	0.046	30%	0.3	C	S	.	.	H	α-helix	trans	-74.3	-34.9	178.9	-57.2	-57.9	0	0	0	110.8	L363 P410 Q411 A417 D487	L363-I413 HydrophobicContact CD1-CG2 4.33Å; P410-I413 HydrophobicContact CB-CG1 4.27Å; P410-I413 HydrophobicContact CG-CG1 4.4Å; P410-I413 WeakPolarHBondContact O-CA 3.29Å; P410-I413 WeakPolarHBondContact O-CB 3.43Å; P410-I413 PolarHBondContact O-N 3.29Å; Q411-I413 PolarHBondContact O-N 2.99Å; I413-A417 WeakPolarHBondContact O-CB 3.27Å; I413-A417 PolarHBondContact O-N 2.91Å; I413-D487 HydrophobicContact CD1-CB 3.78Å; I413-D487 HydrophobicContact CG1-CB 4.41Å
414	L	95.4	Very high	96.7	Very high	19 Å²	19	62.7 Å²	62.7	10%	0.099	30%	0.302	C	S	.	.	H	α-helix	trans	-71.8	-36.5	178.3	-61.5	-178	0	0	0	113	L363 P409 P410 Q411 Q416 A417 A420 I424	L363-L414 HydrophobicContact CD1-CD2 4.47Å; L363-L414 HydrophobicContact CD2-CD2 4.43Å; P409-L414 HydrophobicContact CB-CD2 4.01Å; P409-L414 HydrophobicContact CB-CG 4.33Å; P409-L414 HydrophobicContact CG-CD1 4.18Å; P409-L414 HydrophobicContact CG-CD2 3.59Å; P409-L414 HydrophobicContact CG-CG 4.07Å; P410-L414 PolarHBondContact O-N 2.87Å; Q411-L414 WeakPolarHBondContact O-CB 3.47Å; Q411-L414 PolarHBondContact O-N 3.47Å; L414-Q416 VanDerWaalsContact C-N 3.27Å; L414-Q416 PolarHBondContact O-N 3.21Å; L414-A417 PolarHBondContact O-N 3.46Å; L414-A420 HydrophobicContact CB-CB 4.42Å; L414-A420 HydrophobicContact CD2-CB 4.15Å; L414-I424 HydrophobicContact CD1-CD1 3.46Å; L414-I424 VanDerWaalsContact CD1-CD1 3.46Å; L414-I424 HydrophobicContact CD2-CD1 3.52Å; L414-I424 HydrophobicContact CG-CD1 4.12Å
415	E	94.1	Very high	96.5	Very high	137 Å²	137	64 Å²	64	64%	0.64	31%	0.309	S	S	*	.	H	α-helix	trans	-66.1	-30.2	177.3	-72.3	165.7	177.4	0	0	112.6	Q411	Q411-E415 VanDerWaalsContact CG-OE1 3.3Å; Q411-E415 WeakPolarHBondContact CG-OE1 3.48Å; Q411-E415 PolarHBondContact NE2-OE1 3.02Å; Q411-E415 WeakPolarHBondContact O-CG 3.49Å; Q411-E415 PolarHBondContact O-N 3.49Å
416	Q	93.3	Very high	96.2	Very high	121 Å²	121	69.7 Å²	69.7	57%	0.565	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.4	177	-63.4	176.5	14.5	0	0	113.3	K412 L414	K412-Q416 WeakPolarHBondContact O-CG 3.49Å; L414-Q416 VanDerWaalsContact C-N 3.27Å; L414-Q416 PolarHBondContact O-N 3.21Å
417	A	96.1	Very high	95.9	Very high	11 Å²	11	75.8 Å²	75.8	9%	0.091	37%	0.374	C	S	.	.			trans	-93.2	110.4	-169.8	0	0	0	0	0	113.2	L363 S365 I413 L414 R419 A420	L363-A417 HydrophobicContact CB-CB 3.78Å; L363-A417 CarbonylContact O-C 3.59Å; L363-A417 WeakPolarHBondContact O-CB 3.36Å; S365-A417 VanDerWaalsContact OG-CA 3.24Å; S365-A417 WeakPolarHBondContact OG-CA 3.5Å; S365-A417 WeakPolarHBondContact OG-CB 3.5Å; I413-A417 WeakPolarHBondContact O-CB 3.27Å; I413-A417 PolarHBondContact O-N 2.91Å; L414-A417 PolarHBondContact O-N 3.46Å; A417-R419 PolarHBondContact O-N 3.49Å; A417-R419 VanDerWaalsContact O-N 3.12Å; A417-A420 HydrophobicContact CB-CB 3.75Å; A417-A420 PolarHBondContact O-N 3.21Å
418	K	97.2	Very high	95.6	Very high	192 Å²	192	76.8 Å²	76.8	84%	0.835	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.7	-178.3	-62.9	-179.8	179.8	-178.4	0	113.9	L363 G364	L363-K418 PolarHBondContact O-N 3.16Å; G364-K418 WeakPolarHBondContact O-CB 3.39Å; G364-K418 WeakPolarHBondContact O-CG 3.46Å
419	R	97.6	Very high	95.4	Very high	82 Å²	82	75 Å²	75	31%	0.309	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	3.2	-177.5	-54.7	173.9	72.8	-153.6	9.2	113.5	I362 L363 E395 A417 K421 N422 F423	I362-R419 WeakPolarHBondContact O-CD 3.39Å; I362-R419 PolarHBondContact O-NH1 3.2Å; L363-R419 WeakPolarHBondContact O-CA 3.49Å; L363-R419 WeakPolarHBondContact O-CB 3.33Å; L363-R419 PolarHBondContact O-N 2.95Å; E395-R419 IonicContact OE1-NH1 3.78Å; E395-R419 IonicContact OE2-CZ 3.69Å; E395-R419 IonicContact OE2-NH1 3.93Å; E395-R419 PolarHBondContact OE2-NH1 3.25Å; E395-R419 IonicContact OE2-NH2 3.88Å; E395-R419 PolarHBondContact OE2-NH2 2.92Å; A417-R419 PolarHBondContact O-N 3.49Å; A417-R419 VanDerWaalsContact O-N 3.12Å; R419-K421 PolarHBondContact O-N 3.08Å; R419-K421 VanDerWaalsContact O-N 3.13Å; R419-N422 VanDerWaalsContact O-CB 3.27Å; R419-N422 WeakPolarHBondContact O-CB 3.21Å; R419-N422 PolarHBondContact O-N 3.29Å; R419-F423 HydrophobicContact CB-CE2 4.07Å; R419-F423 WeakPolarHBondContact O-CD2 3.39Å
420	A	97.5	Very high	95.4	Very high	10 Å²	10	74.8 Å²	74.8	8%	0.083	38%	0.375	C	S	.	.	H	α-helix	trans	-53.2	-39.5	-176.9	0	0	0	0	0	113.3	L363 L414 A417 N422 F423 I424	L363-A420 HydrophobicContact CD2-CB 4.44Å; L414-A420 HydrophobicContact CB-CB 4.42Å; L414-A420 HydrophobicContact CD2-CB 4.15Å; A417-A420 HydrophobicContact CB-CB 3.75Å; A417-A420 PolarHBondContact O-N 3.21Å; A420-N422 PolarHBondContact O-N 3.09Å; A420-N422 VanDerWaalsContact O-N 3.08Å; A420-F423 PolarHBondContact O-N 3.19Å; A420-I424 PolarHBondContact O-N 3.02Å
421	K	96.9	Very high	95.4	Very high	173 Å²	173	78.8 Å²	78.8	75%	0.752	38%	0.382	S	S	*	.	H	α-helix	trans	-60	-18.8	178.3	-64.2	-178.5	-179.4	178.8	0	114.2	R419 I424 R431	R419-K421 PolarHBondContact O-N 3.08Å; R419-K421 VanDerWaalsContact O-N 3.13Å; K421-I424 CarbonylContact C-O 3.6Å; K421-R431 VanDerWaalsContact O-CZ 3.28Å; K421-R431 PolarHBondContact O-NE 3.26Å; K421-R431 PolarHBondContact O-NH2 3.49Å
422	N	97.7	Very high	95.5	Very high	103 Å²	103	75.1 Å²	75.1	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-78.4	-23.5	176.4	-61.2	8.3	0	0	0	112.3	R419 A420 R431	R419-N422 VanDerWaalsContact O-CB 3.27Å; R419-N422 WeakPolarHBondContact O-CB 3.21Å; R419-N422 PolarHBondContact O-N 3.29Å; A420-N422 PolarHBondContact O-N 3.09Å; A420-N422 VanDerWaalsContact O-N 3.08Å; N422-R431 VanDerWaalsContact O-CD 3.28Å; N422-R431 WeakPolarHBondContact O-CD 3.27Å
423	F	97.7	Very high	95.6	Very high	22 Å²	22	70.6 Å²	70.6	10%	0.096	35%	0.345	C	S	.	.	H	α-helix	trans	-115.9	-23.1	-173.6	-52.6	-73.9	0	0	0	113.1	I362 L363 E395 L399 R419 A420 R431	I362-F423 HydrophobicContact CG2-CE1 4.16Å; I362-F423 HydrophobicContact CG2-CE2 3.88Å; I362-F423 HydrophobicContact CG2-CZ 3.62Å; L363-F423 HydrophobicContact CD2-CD2 4.03Å; E395-F423 HydrophobicContact CB-CE1 4.44Å; E395-F423 HydrophobicContact CB-CZ 4.44Å; L399-F423 HydrophobicContact CD2-CB 3.66Å; L399-F423 HydrophobicContact CD2-CD1 4.22Å; L399-F423 HydrophobicContact CD2-CD2 4.13Å; L399-F423 HydrophobicContact CD2-CG 3.74Å; R419-F423 HydrophobicContact CB-CE2 4.07Å; R419-F423 WeakPolarHBondContact O-CD2 3.39Å; A420-F423 PolarHBondContact O-N 3.19Å; F423-R431 WeakPolarHBondContact O-CB 3.41Å; F423-R431 PolarHBondContact O-N 2.87Å
424	I	97.2	Very high	95.5	Very high	10 Å²	10	71.5 Å²	71.5	5%	0.051	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-126.8	141.6	-179.7	-62.2	177.3	0	0	0	108.7	M408 P409 L414 A420 K421 G428 Q429 R431	M408-I424 HydrophobicContact CE-CD1 3.75Å; M408-I424 HydrophobicContact CE-CG1 4.29Å; P409-I424 HydrophobicContact CG-CD1 3.92Å; L414-I424 HydrophobicContact CD1-CD1 3.46Å; L414-I424 VanDerWaalsContact CD1-CD1 3.46Å; L414-I424 HydrophobicContact CD2-CD1 3.52Å; L414-I424 HydrophobicContact CG-CD1 4.12Å; A420-I424 PolarHBondContact O-N 3.02Å; K421-I424 CarbonylContact C-O 3.6Å; I424-G428 VanDerWaalsContact CG2-C 3.48Å; I424-Q429 WeakPolarHBondContact CA-O 3.32Å; I424-Q429 WeakPolarHBondContact CG2-O 3.42Å; I424-R431 PolarHBondContact O-NE 3.03Å
425	N	94.6	Very high	95.4	Very high	41 Å²	41	73.7 Å²	73.7	22%	0.219	37%	0.371	C	S	.	.			trans	-85.7	175.4	-179	78.2	11.6	0	0	0	112.1	K427 G428 Q429 R431	N425-K427 PolarHBondContact O-N 3.42Å; N425-K427 VanDerWaalsContact O-N 3.17Å; N425-K427 WeakPolarHBondContact OD1-CA 3.35Å; N425-K427 WeakPolarHBondContact OD1-CB 3.44Å; N425-K427 PolarHBondContact OD1-N 3.47Å; N425-G428 PolarHBondContact O-N 2.82Å; N425-G428 VanDerWaalsContact O-N 3.09Å; N425-G428 PolarHBondContact OD1-N 3.47Å; N425-Q429 PolarHBondContact N-O 3.14Å; N425-Q429 PolarHBondContact ND2-OE1 3.4Å; N425-Q429 WeakPolarHBondContact OD1-CB 3.39Å; N425-Q429 PolarHBondContact OD1-N 2.86Å; N425-Q429 PolarHBondContact OD1-O 3.48Å; N425-R431 HydrophobicContact CB-CG 4.28Å
426	S	92.4	Very high	95.2	Very high	128 Å²	128	70.3 Å²	70.3	90%	0.895	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.2	-179.9	48.3	0	0	0	0	114.9
427	K	91.1	Very high	95.1	Very high	165 Å²	165	69.4 Å²	69.4	72%	0.717	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	9.8	174.9	-59.2	-175.4	177.8	-176	0	112.6	N425 Q429	N425-K427 PolarHBondContact O-N 3.42Å; N425-K427 VanDerWaalsContact O-N 3.17Å; N425-K427 WeakPolarHBondContact OD1-CA 3.35Å; N425-K427 WeakPolarHBondContact OD1-CB 3.44Å; N425-K427 PolarHBondContact OD1-N 3.47Å; K427-Q429 VanDerWaalsContact C-N 3.25Å; K427-Q429 HydrophobicContact CB-CG 4.2Å; K427-Q429 PolarHBondContact O-N 3.26Å
428	G	91.8	Very high	94.8	Very high	37 Å²	37	72.8 Å²	72.8	38%	0.381	38%	0.381	S	S	.	.	S	Bend	trans	74.7	9.4	-177.3	0	0	0	0	0	114.6	M408 I424 N425	M408-G428 VanDerWaalsContact CE-O 3.29Å; M408-G428 WeakPolarHBondContact CE-O 3.33Å; I424-G428 VanDerWaalsContact CG2-C 3.48Å; N425-G428 PolarHBondContact O-N 2.82Å; N425-G428 VanDerWaalsContact O-N 3.09Å; N425-G428 PolarHBondContact OD1-N 3.47Å
429	Q	94.8	Very high	94.5	Very high	26 Å²	26	70.4 Å²	70.4	12%	0.121	39%	0.386	C	S	.	.			trans	-92.9	141.2	-176.7	-55.3	158.2	-25.6	0	0	110.6	I424 N425 K427 R431 L445	I424-Q429 WeakPolarHBondContact CA-O 3.32Å; I424-Q429 WeakPolarHBondContact CG2-O 3.42Å; N425-Q429 PolarHBondContact N-O 3.14Å; N425-Q429 PolarHBondContact ND2-OE1 3.4Å; N425-Q429 WeakPolarHBondContact OD1-CB 3.39Å; N425-Q429 PolarHBondContact OD1-N 2.86Å; N425-Q429 PolarHBondContact OD1-O 3.48Å; K427-Q429 VanDerWaalsContact C-N 3.25Å; K427-Q429 HydrophobicContact CB-CG 4.2Å; K427-Q429 PolarHBondContact O-N 3.26Å; Q429-R431 PolarHBondContact O-N 3.45Å; Q429-L445 HydrophobicContact CB-CD2 4.25Å; Q429-L445 HydrophobicContact CG-CD2 4.28Å
430	P	96.8	Very high	94.2	Very high	2 Å²	2	72 Å²	72	1%	0.013	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-70.4	131.4	179.2	31.3	-35.6	0	0	0	110.7	M403 M408 Y432 C433 L445 P459	M403-P430 HydrophobicContact CE-CB 3.97Å; M403-P430 HydrophobicContact SD-CB 3.89Å; M408-P430 HydrophobicContact CE-CB 4.39Å; M408-P430 HydrophobicContact CE-CG 4.47Å; M408-P430 HydrophobicContact SD-CB 4.04Å; M408-P430 HydrophobicContact SD-CG 3.84Å; P430-Y432 HydrophobicContact CB-CD1 3.74Å; P430-Y432 HydrophobicContact CB-CE1 3.7Å; P430-Y432 HydrophobicContact CG-CD1 4.38Å; P430-Y432 HydrophobicContact CG-CE1 4.01Å; P430-Y432 PolarHBondContact O-N 3.12Å; P430-C433 HydrophobicContact CG-CB 4.08Å; P430-C433 PolarHBondContact O-N 2.94Å; P430-C433 VanDerWaalsContact O-N 3.08Å; P430-L445 HydrophobicContact CG-CD1 4.21Å; P430-P459 HydrophobicContact CG-CG 3.78Å
431	R	96.8	Very high	93.7	Very high	144 Å²	144	74.1 Å²	74.1	54%	0.543	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.3	-174.2	-69.6	176.4	179.3	-85.5	9.1	114.6	K421 N422 F423 I424 N425 Q429 C433	K421-R431 VanDerWaalsContact O-CZ 3.28Å; K421-R431 PolarHBondContact O-NE 3.26Å; K421-R431 PolarHBondContact O-NH2 3.49Å; N422-R431 VanDerWaalsContact O-CD 3.28Å; N422-R431 WeakPolarHBondContact O-CD 3.27Å; F423-R431 WeakPolarHBondContact O-CB 3.41Å; F423-R431 PolarHBondContact O-N 2.87Å; I424-R431 PolarHBondContact O-NE 3.03Å; N425-R431 HydrophobicContact CB-CG 4.28Å; Q429-R431 PolarHBondContact O-N 3.45Å; R431-C433 VanDerWaalsContact C-N 3.34Å
432	Y	96.6	Very high	93.3	Very high	37 Å²	37	68 Å²	68	15%	0.145	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-21.9	173	85	-88	0	0	0	112	A400 M403 P430 S448 R456 G457	A400-Y432 HydrophobicContact CB-CD1 3.77Å; A400-Y432 HydrophobicContact CB-CD2 3.83Å; A400-Y432 HydrophobicContact CB-CE1 4.07Å; A400-Y432 HydrophobicContact CB-CE2 4.1Å; A400-Y432 HydrophobicContact CB-CG 3.66Å; M403-Y432 HydrophobicContact CB-CE1 4.23Å; M403-Y432 HydrophobicContact CE-CD1 3.68Å; M403-Y432 HydrophobicContact CE-CE1 3.57Å; M403-Y432 HydrophobicContact SD-CE1 4.33Å; P430-Y432 HydrophobicContact CB-CD1 3.74Å; P430-Y432 HydrophobicContact CB-CE1 3.7Å; P430-Y432 HydrophobicContact CG-CD1 4.38Å; P430-Y432 HydrophobicContact CG-CE1 4.01Å; P430-Y432 PolarHBondContact O-N 3.12Å; Y432-S448 WeakPolarHBondContact O-CB 3.49Å; Y432-S448 PolarHBondContact O-OG 3.35Å; Y432-R456 HydrophobicContact CD2-CB 4.15Å; Y432-R456 HydrophobicContact CE2-CB 3.91Å; Y432-G457 VanDerWaalsContact CE2-O 3.28Å; Y432-G457 WeakPolarHBondContact CE2-O 3.24Å; Y432-G457 PolarHBondContact OH-O 3.35Å
433	C	96.6	Very high	93	Very high	14 Å²	14	66.8 Å²	66.8	10%	0.095	41%	0.405	C	S	.	.	S	Bend	trans	-81.6	147.2	-179.1	-76.1	0	0	0	0	112.8	P430 R431 L445 T446	P430-C433 HydrophobicContact CG-CB 4.08Å; P430-C433 PolarHBondContact O-N 2.94Å; P430-C433 VanDerWaalsContact O-N 3.08Å; R431-C433 VanDerWaalsContact C-N 3.34Å; C433-L445 HydrophobicContact CB-CB 4.3Å; C433-L445 HydrophobicContact CB-CD2 4.32Å; C433-T446 CarbonylContact C-O 3.5Å; C433-T446 VanDerWaalsContact CA-O 3.23Å; C433-T446 WeakPolarHBondContact CA-O 3.27Å; C433-T446 VanDerWaalsContact CB-O 3.27Å; C433-T446 WeakPolarHBondContact CB-O 3.31Å; C433-T446 PolarHBondContact SG-O 2.99Å
434	G	93.6	Very high	92.7	Very high	28 Å²	28	68.5 Å²	68.5	29%	0.289	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	151.5	156.4	0	0	0	0	0	110.1	L445 T446	G434-L445 WeakPolarHBondContact O-CA 3.22Å; G434-T446 VanDerWaalsContact CA-OG1 3.32Å; G434-T446 WeakPolarHBondContact CA-OG1 3.43Å; G434-T446 PolarHBondContact N-O 3.45Å; G434-T446 PolarHBondContact O-N 3.49Å; G434-T446 PolarHBondContact O-OG1 2.87Å
435	V	92.3	Very high	92.6	Very high	64 Å²	64	70.4 Å²	70.4	39%	0.388	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	118.4	-178.6	-173.4	0	0	0	0	108.8	T443 L445	V435-T443 HydrophobicContact CG1-CG2 3.83Å; V435-L445 HydrophobicContact CG1-CD2 4.46Å; V435-L445 HydrophobicContact CG2-CD2 3.87Å
436	S	91.1	Very high	92.6	Very high	67 Å²	67	71.5 Å²	71.5	47%	0.469	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143	174.7	-63.1	0	0	0	0	109.7	V444	S436-V444 PolarHBondContact N-O 3.29Å; S436-V444 PolarHBondContact O-N 3.29Å
437	T	90.8	Very high	92.6	Very high	101 Å²	101	66.6 Å²	66.6	62%	0.62	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.4	172.5	-50.8	0	0	0	0	108.5
438	L	90	Very high	92.8	Very high	82 Å²	82	60.6 Å²	60.6	43%	0.429	38%	0.384	S	S	.	.			trans	-71.3	159.6	174.1	-66.2	177.9	0	0	0	110.7	T440 G441 A442 V444	L438-T440 PolarHBondContact O-N 3.24Å; L438-G441 PolarHBondContact O-N 2.84Å; L438-A442 HydrophobicContact CB-CB 4.5Å; L438-A442 HydrophobicContact CD1-CB 4.31Å; L438-A442 PolarHBondContact N-O 3.27Å; L438-V444 HydrophobicContact CD1-CG2 3.69Å; L438-V444 HydrophobicContact CD2-CG2 4.28Å; L438-V444 HydrophobicContact CG-CG2 3.74Å
439	P	90.9	Very high	93	Very high	143 Å²	143	66.7 Å²	66.7	93%	0.929	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.2	173.3	-26.6	35.8	0	0	0	114.2	G441	P439-G441 PolarHBondContact O-N 3.45Å
440	T	91.3	Very high	93	Very high	116 Å²	116	66.1 Å²	66.1	71%	0.712	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-0.8	173.9	57.8	0	0	0	0	114.3	L438 A442	L438-T440 PolarHBondContact O-N 3.24Å; T440-A442 PolarHBondContact O-N 3.1Å
441	G	87.6	Confident	92.8	Very high	53 Å²	53	74.6 Å²	74.6	55%	0.546	43%	0.426	S	S	.	.	S	Bend	trans	79	-7.7	-172.1	0	0	0	0	0	114.5	L438 P439 T443	L438-G441 PolarHBondContact O-N 2.84Å; P439-G441 PolarHBondContact O-N 3.45Å; G441-T443 PolarHBondContact O-N 3.12Å
442	A	88.4	Confident	92.7	Very high	46 Å²	46	77.2 Å²	77.2	38%	0.38	44%	0.436	S	S	.	.			trans	-67.6	131.9	178.7	0	0	0	0	0	111.6	L438 T440	L438-A442 HydrophobicContact CB-CB 4.5Å; L438-A442 HydrophobicContact CD1-CB 4.31Å; L438-A442 PolarHBondContact N-O 3.27Å; T440-A442 PolarHBondContact O-N 3.1Å
443	T	90.2	Very high	92.6	Very high	77 Å²	77	76.9 Å²	76.9	47%	0.472	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128.9	173.9	-64.1	0	0	0	0	110.3	V435 G441 L445	V435-T443 HydrophobicContact CG1-CG2 3.83Å; G441-T443 PolarHBondContact O-N 3.12Å; T443-L445 HydrophobicContact CG2-CD2 4.43Å
444	V	92.7	Very high	92.5	Very high	57 Å²	57	81.6 Å²	81.6	35%	0.345	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127	172.6	178	0	0	0	0	109.1	S436 L438	S436-V444 PolarHBondContact N-O 3.29Å; S436-V444 PolarHBondContact O-N 3.29Å; L438-V444 HydrophobicContact CD1-CG2 3.69Å; L438-V444 HydrophobicContact CD2-CG2 4.28Å; L438-V444 HydrophobicContact CG-CG2 3.74Å
445	L	94.6	Very high	92.7	Very high	50 Å²	50	85.2 Å²	85.2	26%	0.262	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.2	171.6	-61.4	-178.4	0	0	0	109.7	Q429 P430 C433 G434 V435 T443 P458 P459	Q429-L445 HydrophobicContact CB-CD2 4.25Å; Q429-L445 HydrophobicContact CG-CD2 4.28Å; P430-L445 HydrophobicContact CG-CD1 4.21Å; C433-L445 HydrophobicContact CB-CB 4.3Å; C433-L445 HydrophobicContact CB-CD2 4.32Å; G434-L445 WeakPolarHBondContact O-CA 3.22Å; V435-L445 HydrophobicContact CG1-CD2 4.46Å; V435-L445 HydrophobicContact CG2-CD2 3.87Å; T443-L445 HydrophobicContact CG2-CD2 4.43Å; L445-P458 HydrophobicContact CB-CB 4.13Å; L445-P459 HydrophobicContact CD1-CG 4.37Å
446	T	94.9	Very high	92.9	Very high	64 Å²	64	82.7 Å²	82.7	39%	0.393	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.3	173	54.3	0	0	0	0	110.9	C433 G434	C433-T446 CarbonylContact C-O 3.5Å; C433-T446 VanDerWaalsContact CA-O 3.23Å; C433-T446 WeakPolarHBondContact CA-O 3.27Å; C433-T446 VanDerWaalsContact CB-O 3.27Å; C433-T446 WeakPolarHBondContact CB-O 3.31Å; C433-T446 PolarHBondContact SG-O 2.99Å; G434-T446 VanDerWaalsContact CA-OG1 3.32Å; G434-T446 WeakPolarHBondContact CA-OG1 3.43Å; G434-T446 PolarHBondContact N-O 3.45Å; G434-T446 PolarHBondContact O-N 3.49Å; G434-T446 PolarHBondContact O-OG1 2.87Å
447	G	92.8	Very high	93.2	Very high	26 Å²	26	80 Å²	80	27%	0.268	44%	0.44	S	S	.	.			trans	-65.3	166.2	172.2	0	0	0	0	0	112.6	R456	G447-R456 CarbonylContact C-O 3.54Å; G447-R456 WeakPolarHBondContact CA-O 3.39Å
448	S	94.1	Very high	93.6	Very high	38 Å²	38	77 Å²	77	27%	0.266	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	176.5	177.1	72.8	0	0	0	0	111.9	Y432 M455 R456	Y432-S448 WeakPolarHBondContact O-CB 3.49Å; Y432-S448 PolarHBondContact O-OG 3.35Å; S448-M455 CarbonylContact O-C 3.55Å; S448-M455 VanDerWaalsContact O-SD 3.37Å; S448-R456 PolarHBondContact N-O 3.27Å; S448-R456 PolarHBondContact O-N 2.98Å
449	R	95.5	Very high	93.9	Very high	166 Å²	166	74.6 Å²	74.6	63%	0.626	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.4	178.8	-66.8	-176.8	-177.5	-86.8	2.5	111.3	G453 K454 M455	R449-G453 WeakPolarHBondContact CD-O 3.26Å; R449-G453 PolarHBondContact NH1-O 3.08Å; R449-K454 CarbonylContact C-O 3.31Å; R449-K454 VanDerWaalsContact CA-O 3.29Å; R449-K454 WeakPolarHBondContact CA-O 3.33Å; R449-M455 HydrophobicContact CG-CE 4.04Å; R449-M455 HydrophobicContact CG-SD 4.2Å
450	S	94.9	Very high	94.3	Very high	14 Å²	14	69.8 Å²	69.8	10%	0.098	39%	0.388	C	S	.	.			trans	-62.1	172.6	167.1	75.3	0	0	0	0	111.6	E393 D397 R452 G453 K454	E393-S450 VanDerWaalsContact CD-CB 3.47Å; E393-S450 VanDerWaalsContact OE1-CB 3.29Å; E393-S450 WeakPolarHBondContact OE1-CB 3.45Å; E393-S450 PolarHBondContact OE1-OG 3.3Å; E393-S450 WeakPolarHBondContact OE2-CB 3.49Å; E393-S450 PolarHBondContact OE2-OG 3.17Å; D397-S450 WeakPolarHBondContact OD1-CB 3.24Å; S450-R452 PolarHBondContact O-N 3.29Å; S450-R452 PolarHBondContact OG-N 3.43Å; S450-G453 WeakPolarHBondContact O-CA 3.37Å; S450-G453 PolarHBondContact O-N 3.07Å; S450-G453 PolarHBondContact OG-N 3.37Å; S450-K454 PolarHBondContact N-O 3.29Å; S450-K454 WeakPolarHBondContact OG-CB 2.96Å; S450-K454 PolarHBondContact OG-N 3.42Å
451	R	93.6	Very high	94.6	Very high	180 Å²	180	67.2 Å²	67.2	68%	0.679	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.9	177.6	-69.5	-172	-72.2	142.7	-1.7	112.8	E393 D394 G453	E393-R451 PolarHBondContact OE2-N 2.77Å; E393-R451 VanDerWaalsContact OE2-N 3.17Å; D394-R451 IonicContact OD2-CZ 3.41Å; D394-R451 IonicContact OD2-NE 3.74Å; D394-R451 PolarHBondContact OD2-NE 3.41Å; D394-R451 IonicContact OD2-NH2 2.7Å; D394-R451 PolarHBondContact OD2-NH2 2.92Å; R451-G453 VanDerWaalsContact C-N 3.35Å
452	R	94.3	Very high	95.1	Very high	198 Å²	198	67.8 Å²	67.8	75%	0.747	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	14.7	171.9	-52.6	172.9	-169.3	-162.4	3.7	113.6	E393 S450 K454	E393-R452 HydrophobicContact CG-CG 4.42Å; E393-R452 WeakPolarHBondContact OE1-CB 3.28Å; E393-R452 WeakPolarHBondContact OE2-CG 3.18Å; E393-R452 PolarHBondContact OE2-N 2.94Å; S450-R452 PolarHBondContact O-N 3.29Å; S450-R452 PolarHBondContact OG-N 3.43Å; R452-K454 PolarHBondContact O-N 2.83Å
453	G	94.3	Very high	95.5	Very high	30 Å²	30	70.7 Å²	70.7	31%	0.309	37%	0.371	S	S	.	.			trans	83.4	3	172.6	0	0	0	0	0	116.2	R449 S450 R451	R449-G453 WeakPolarHBondContact CD-O 3.26Å; R449-G453 PolarHBondContact NH1-O 3.08Å; S450-G453 WeakPolarHBondContact O-CA 3.37Å; S450-G453 PolarHBondContact O-N 3.07Å; S450-G453 PolarHBondContact OG-N 3.37Å; R451-G453 VanDerWaalsContact C-N 3.35Å
454	K	95.2	Very high	95.8	Very high	113 Å²	113	68.8 Å²	68.8	49%	0.491	36%	0.355	S	S	.	.			trans	-71	130	179.3	-65.7	-173.3	174.7	-176.3	0	110.3	R449 S450 R452	R449-K454 CarbonylContact C-O 3.31Å; R449-K454 VanDerWaalsContact CA-O 3.29Å; R449-K454 WeakPolarHBondContact CA-O 3.33Å; S450-K454 PolarHBondContact N-O 3.29Å; S450-K454 WeakPolarHBondContact OG-CB 2.96Å; S450-K454 PolarHBondContact OG-N 3.42Å; R452-K454 PolarHBondContact O-N 2.83Å
455	M	96.6	Very high	96	Very high	104 Å²	104	69.2 Å²	69.2	51%	0.512	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	137	177.2	-168.9	63.3	75.4	0	0	110.8	S448 R449	S448-M455 CarbonylContact O-C 3.55Å; S448-M455 VanDerWaalsContact O-SD 3.37Å; R449-M455 HydrophobicContact CG-CE 4.04Å; R449-M455 HydrophobicContact CG-SD 4.2Å
456	R	97.5	Very high	96.1	Very high	11 Å²	11	71.5 Å²	71.5	4%	0.042	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.7	169.5	-53.3	-57.1	-176.2	-173.6	5	107.7	P391 D397 A400 C401 E404 Y432 G447 S448	P391-R456 PolarHBondContact O-NH2 2.9Å; D397-R456 IonicContact OD1-CZ 3.05Å; D397-R456 IonicContact OD1-NE 2.76Å; D397-R456 PolarHBondContact OD1-NE 3.02Å; D397-R456 IonicContact OD1-NH2 3.09Å; D397-R456 PolarHBondContact OD1-NH2 2.95Å; D397-R456 IonicContact OD2-CZ 3.48Å; D397-R456 IonicContact OD2-NE 2.64Å; D397-R456 IonicContact OD2-NH2 2.99Å; D397-R456 PolarHBondContact OD2-NH2 3Å; A400-R456 HydrophobicContact CB-CG 4.34Å; C401-R456 PolarHBondContact SG-NH1 2.81Å; C401-R456 PolarHBondContact SG-NH2 3.14Å; C401-R456 VanDerWaalsContact SG-NH2 3.37Å; E404-R456 WeakPolarHBondContact OE1-CA 3.49Å; Y432-R456 HydrophobicContact CD2-CB 4.15Å; Y432-R456 HydrophobicContact CE2-CB 3.91Å; G447-R456 CarbonylContact C-O 3.54Å; G447-R456 WeakPolarHBondContact CA-O 3.39Å; S448-R456 PolarHBondContact N-O 3.27Å; S448-R456 PolarHBondContact O-N 2.98Å
457	G	97.6	Very high	96.2	Very high	11 Å²	11	69.4 Å²	69.4	11%	0.113	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-67.9	167.3	176.5	0	0	0	0	0	113.2	E404 Y432 S461	E404-G457 PolarHBondContact OE1-N 2.98Å; Y432-G457 VanDerWaalsContact CE2-O 3.28Å; Y432-G457 WeakPolarHBondContact CE2-O 3.24Å; Y432-G457 PolarHBondContact OH-O 3.35Å; G457-S461 WeakPolarHBondContact CA-OG 3.4Å
458	P	97.8	Very high	96.5	Very high	39 Å²	39	68.3 Å²	68.3	25%	0.253	35%	0.354	S	S	.	.	S	Bend	trans	-63.7	167.5	173.9	27.7	-32.4	0	0	0	111.7	L445 G460 S461	L445-P458 HydrophobicContact CB-CB 4.13Å; P458-G460 PolarHBondContact O-N 3.27Å; P458-S461 WeakPolarHBondContact CD-OG 3.42Å; P458-S461 VanDerWaalsContact O-CB 3.27Å; P458-S461 WeakPolarHBondContact O-CB 3.4Å; P458-S461 PolarHBondContact O-N 2.81Å; P458-S461 VanDerWaalsContact O-N 3.12Å; P458-S461 PolarHBondContact O-OG 2.99Å; P458-S461 VanDerWaalsContact O-OG 3.1Å
459	P	98.1	Very high	96.6	Very high	31 Å²	31	72.3 Å²	72.3	20%	0.201	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	129.2	-174.2	-25.9	34.1	0	0	0	113.2	M403 M408 P430 L445 S461	M403-P459 HydrophobicContact CB-CB 4.41Å; M403-P459 CarbonylContact O-C 3.25Å; M403-P459 VanDerWaalsContact O-CA 3.24Å; M403-P459 WeakPolarHBondContact O-CA 3.41Å; M408-P459 HydrophobicContact CG-CB 3.83Å; M408-P459 HydrophobicContact CG-CG 3.92Å; M408-P459 HydrophobicContact SD-CB 3.99Å; M408-P459 HydrophobicContact SD-CG 3.53Å; M408-P459 VanDerWaalsContact SD-CG 3.53Å; P430-P459 HydrophobicContact CG-CG 3.78Å; L445-P459 HydrophobicContact CD1-CG 4.37Å; P459-S461 VanDerWaalsContact C-N 3.29Å; P459-S461 PolarHBondContact O-N 2.64Å
460	G	97.9	Very high	96.6	Very high	42 Å²	42	66.8 Å²	66.8	43%	0.433	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	10.7	179.5	0	0	0	0	0	115.1	M403 E404 P458 K462	M403-G460 PolarHBondContact O-N 3.1Å; E404-G460 CarbonylContact O-C 3.51Å; E404-G460 VanDerWaalsContact O-C 3.31Å; E404-G460 VanDerWaalsContact O-CA 3.31Å; E404-G460 WeakPolarHBondContact O-CA 3.48Å; E404-G460 PolarHBondContact O-N 3.25Å; P458-G460 PolarHBondContact O-N 3.27Å; G460-K462 VanDerWaalsContact C-N 3.33Å; G460-K462 PolarHBondContact O-N 3.12Å
461	S	98	Very high	96.6	Very high	61 Å²	61	67.1 Å²	67.1	43%	0.427	36%	0.364	S	S	.	.			trans	-81.2	-5.7	-178.7	81.2	0	0	0	0	115	E404 G457 P458 P459	E404-S461 PolarHBondContact O-N 2.94Å; G457-S461 WeakPolarHBondContact CA-OG 3.4Å; P458-S461 WeakPolarHBondContact CD-OG 3.42Å; P458-S461 VanDerWaalsContact O-CB 3.27Å; P458-S461 WeakPolarHBondContact O-CB 3.4Å; P458-S461 PolarHBondContact O-N 2.81Å; P458-S461 VanDerWaalsContact O-N 3.12Å; P458-S461 PolarHBondContact O-OG 2.99Å; P458-S461 VanDerWaalsContact O-OG 3.1Å; P459-S461 VanDerWaalsContact C-N 3.29Å; P459-S461 PolarHBondContact O-N 2.64Å
462	K	97.5	Very high	96.4	Very high	65 Å²	65	67.3 Å²	67.3	28%	0.283	37%	0.372	S	S	.	.	S	Bend	trans	-103.8	121.8	176.3	173.8	176.9	-78.6	159.9	0	110.4	E404 L405 G460 A467	E404-K462 HydrophobicContact CG-CB 3.86Å; E404-K462 PolarHBondContact O-N 3.1Å; E404-K462 IonicContact OE1-NZ 2.81Å; E404-K462 WeakPolarHBondContact OE2-CE 3.42Å; E404-K462 IonicContact OE2-NZ 2.69Å; E404-K462 PolarHBondContact OE2-NZ 2.78Å; L405-K462 HydrophobicContact CD1-CD 4.45Å; L405-K462 HydrophobicContact CD1-CG 4.14Å; L405-K462 WeakPolarHBondContact CD1-O 3.07Å; G460-K462 VanDerWaalsContact C-N 3.33Å; G460-K462 PolarHBondContact O-N 3.12Å; K462-A467 HydrophobicContact CD-CB 4.2Å; K462-A467 HydrophobicContact CG-CB 4.41Å
463	D	97	Very high	96.5	Very high	107 Å²	107	59.6 Å²	59.6	57%	0.572	35%	0.345	S	S	*	.			trans	-70.9	146.4	174.1	-71	-63	0	0	0	113.5	S465 V466 A467	D463-S465 VanDerWaalsContact C-N 3.3Å; D463-S465 PolarHBondContact O-N 3.05Å; D463-V466 HydrophobicContact CB-CG2 4.18Å; D463-V466 PolarHBondContact O-N 3Å; D463-A467 PolarHBondContact O-N 3.38Å
464	W	97.6	Very high	96.6	Very high	37 Å²	37	62.8 Å²	62.8	14%	0.14	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-34	174.8	-78	83.3	0	0	0	113.1	L405 L406 A467 L468 T477 L480 K481 L484	L405-W464 HydrophobicContact CD1-CD2 4.02Å; L405-W464 HydrophobicContact CD1-CG 4.13Å; L405-W464 HydrophobicContact CD2-CE3 4.47Å; L405-W464 HydrophobicContact CD2-CH2 4.18Å; L405-W464 HydrophobicContact CD2-CZ2 4.26Å; L405-W464 HydrophobicContact CD2-CZ3 4.27Å; L405-W464 HydrophobicContact CG-CD2 4.46Å; L405-W464 HydrophobicContact CG-CZ2 4.17Å; L406-W464 HydrophobicContact CD2-CH2 3.97Å; L406-W464 HydrophobicContact CD2-CZ2 3.38Å; W464-A467 PolarHBondContact O-N 2.9Å; W464-L468 HydrophobicContact CE3-CD1 4.11Å; W464-L468 HydrophobicContact CE3-CG 4.44Å; W464-L468 WeakPolarHBondContact O-CB 3.39Å; W464-L468 WeakPolarHBondContact O-CG 3.47Å; W464-L468 PolarHBondContact O-N 2.79Å; W464-T477 HydrophobicContact CB-CG2 4.09Å; W464-T477 HydrophobicContact CD2-CG2 4.3Å; W464-T477 HydrophobicContact CE3-CG2 4.26Å; W464-T477 HydrophobicContact CG-CG2 4.26Å; W464-L480 HydrophobicContact CH2-CB 4.45Å; W464-L480 HydrophobicContact CZ3-CB 3.96Å; W464-L480 HydrophobicContact CZ3-CD1 4.36Å; W464-K481 VanDerWaalsContact CD1-CE 3.49Å; W464-K481 HydrophobicContact CD2-CG 4.32Å; W464-K481 VanDerWaalsContact CE2-CE 3.47Å; W464-K481 HydrophobicContact CH2-CG 3.85Å; W464-K481 HydrophobicContact CZ2-CD 4.45Å; W464-K481 HydrophobicContact CZ2-CG 3.48Å; W464-K481 VanDerWaalsContact CZ2-CG 3.48Å; W464-K481 HydrophobicContact CZ3-CG 4.42Å; W464-K481 VanDerWaalsContact NE1-CE 3.32Å; W464-L484 HydrophobicContact CH2-CD1 4.11Å
465	S	96.4	Very high	96.7	Very high	66 Å²	66	59.6 Å²	59.6	46%	0.462	35%	0.351	S	S	.	.	H	α-helix	trans	-60.8	-45	174.2	52.9	0	0	0	0	111	D463 L468 K469 G470	D463-S465 VanDerWaalsContact C-N 3.3Å; D463-S465 PolarHBondContact O-N 3.05Å; S465-L468 CarbonylContact O-C 3.54Å; S465-L468 PolarHBondContact O-N 3.14Å; S465-K469 PolarHBondContact O-N 3.44Å; S465-G470 PolarHBondContact O-N 3.08Å
466	V	96.9	Very high	96.8	Very high	98 Å²	98	54.6 Å²	54.6	59%	0.594	33%	0.326	S	S	*	.	H	α-helix	trans	-65.9	-46.6	176.1	179.4	0	0	0	0	110.8	D463 L468 K469	D463-V466 HydrophobicContact CB-CG2 4.18Å; D463-V466 PolarHBondContact O-N 3Å; V466-L468 PolarHBondContact O-N 3Å; V466-K469 PolarHBondContact O-N 3.35Å
467	A	97.6	Very high	96.8	Very high	20 Å²	20	55.1 Å²	55.1	17%	0.165	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-31.6	178.8	0	0	0	0	0	113.3	L389 L405 K462 D463 W464	L389-A467 HydrophobicContact CD1-CB 4.07Å; L405-A467 HydrophobicContact CD1-CB 3.83Å; L405-A467 HydrophobicContact CD2-CB 4.18Å; K462-A467 HydrophobicContact CD-CB 4.2Å; K462-A467 HydrophobicContact CG-CB 4.41Å; D463-A467 PolarHBondContact O-N 3.38Å; W464-A467 PolarHBondContact O-N 2.9Å
468	L	98.1	Very high	96.8	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	21.9	-179.3	-56.5	178.8	0	0	0	113.5	A381 L384 W464 S465 V466 G470 C471 F476 L480	A381-L468 HydrophobicContact CB-CD2 3.97Å; L384-L468 HydrophobicContact CD2-CB 4.48Å; W464-L468 HydrophobicContact CE3-CD1 4.11Å; W464-L468 HydrophobicContact CE3-CG 4.44Å; W464-L468 WeakPolarHBondContact O-CB 3.39Å; W464-L468 WeakPolarHBondContact O-CG 3.47Å; W464-L468 PolarHBondContact O-N 2.79Å; S465-L468 CarbonylContact O-C 3.54Å; S465-L468 PolarHBondContact O-N 3.14Å; V466-L468 PolarHBondContact O-N 3Å; L468-G470 VanDerWaalsContact C-N 3.34Å; L468-G470 PolarHBondContact O-N 3.07Å; L468-C471 HydrophobicContact CB-CB 3.75Å; L468-C471 VanDerWaalsContact O-CB 3.29Å; L468-C471 WeakPolarHBondContact O-CB 3.34Å; L468-C471 PolarHBondContact O-N 3.15Å; L468-C471 VanDerWaalsContact O-N 3.13Å; L468-F476 HydrophobicContact CD1-CD1 4.36Å; L468-F476 HydrophobicContact CD1-CE1 4.32Å; L468-F476 HydrophobicContact CD2-CE1 4.5Å; L468-L480 HydrophobicContact CD1-CD1 3.89Å; L468-L480 HydrophobicContact CD2-CD1 3.66Å; L468-L480 HydrophobicContact CG-CD1 4.43Å
469	K	96.4	Very high	96.9	Very high	122 Å²	122	55.7 Å²	55.7	53%	0.53	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	44.6	177.5	-65.6	-173.2	172.8	-179.5	0	114.6	T385 Y387 S465 V466	T385-K469 HydrophobicContact CG2-CB 4.44Å; T385-K469 HydrophobicContact CG2-CD 4.43Å; T385-K469 HydrophobicContact CG2-CG 4.12Å; T385-K469 VanDerWaalsContact O-CE 3.3Å; T385-K469 WeakPolarHBondContact O-CE 3.21Å; T385-K469 PolarHBondContact O-NZ 3.38Å; Y387-K469 VanDerWaalsContact CD2-NZ 3.25Å; S465-K469 PolarHBondContact O-N 3.44Å; V466-K469 PolarHBondContact O-N 3.35Å
470	G	94.4	Very high	96.9	Very high	50 Å²	50	54.2 Å²	54.2	52%	0.515	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	20	178.9	0	0	0	0	0	114.4	S465 L468 E472	S465-G470 PolarHBondContact O-N 3.08Å; L468-G470 VanDerWaalsContact C-N 3.34Å; L468-G470 PolarHBondContact O-N 3.07Å; G470-E472 WeakPolarHBondContact O-CG 3.34Å; G470-E472 PolarHBondContact O-N 3.07Å
471	C	94.9	Very high	96.9	Very high	22 Å²	22	56.9 Å²	56.9	15%	0.149	32%	0.319	C	S	.	.			trans	-65.2	114.7	174.8	178.6	0	0	0	0	112	L384 L468	L384-C471 HydrophobicContact CD2-CB 3.82Å; L468-C471 HydrophobicContact CB-CB 3.75Å; L468-C471 VanDerWaalsContact O-CB 3.29Å; L468-C471 WeakPolarHBondContact O-CB 3.34Å; L468-C471 PolarHBondContact O-N 3.15Å; L468-C471 VanDerWaalsContact O-N 3.13Å
472	E	91.3	Very high	97	Very high	184 Å²	184	57.8 Å²	57.8	86%	0.86	32%	0.315	S	S	*	.			trans	-91.3	-3.7	-176.6	-56.6	-173.9	151	0	0	114.8	G470 P474	G470-E472 WeakPolarHBondContact O-CG 3.34Å; G470-E472 PolarHBondContact O-N 3.07Å; E472-P474 WeakPolarHBondContact O-CD 3.48Å; E472-P474 VanDerWaalsContact O-N 3.15Å
473	D	95.7	Very high	97	Very high	35 Å²	35	54.7 Å²	54.7	19%	0.187	30%	0.302	C	S	.	.			trans	-69.2	107.9	178.6	-175.5	-22.4	0	0	0	110.4	L290 R294 T475 F476 T477	L290-D473 HydrophobicContact CD1-CB 3.66Å; R294-D473 IonicContact NH2-OD2 3.66Å; D473-T475 VanDerWaalsContact C-N 3.25Å; D473-T475 PolarHBondContact O-N 3.09Å; D473-T475 WeakPolarHBondContact OD1-CA 3.4Å; D473-T475 WeakPolarHBondContact OD1-CB 3.32Å; D473-T475 PolarHBondContact OD1-N 3.05Å; D473-T475 PolarHBondContact OD1-OG1 2.69Å; D473-F476 HydrophobicContact CB-CB 4.02Å; D473-F476 PolarHBondContact O-N 2.81Å; D473-F476 PolarHBondContact OD1-N 3.45Å; D473-T477 PolarHBondContact O-N 3.41Å; D473-T477 VanDerWaalsContact O-N 3.16Å; D473-T477 PolarHBondContact O-OG1 3.42Å; D473-T477 VanDerWaalsContact O-OG1 3.08Å
474	P	96.1	Very high	97.1	Very high	98 Å²	98	49.7 Å²	49.7	64%	0.636	28%	0.275	S	S	*	.	H	α-helix	trans	-72.3	-25	-176.9	32	-35	0	0	0	111.1	E472 T477 D478	E472-P474 WeakPolarHBondContact O-CD 3.48Å; E472-P474 VanDerWaalsContact O-N 3.15Å; P474-T477 PolarHBondContact O-N 2.97Å; P474-D478 WeakPolarHBondContact O-CB 3.46Å; P474-D478 PolarHBondContact O-N 2.9Å
475	T	97.3	Very high	97.2	Very high	45 Å²	45	50.8 Å²	50.8	28%	0.276	28%	0.284	S	S	.	.	H	α-helix	trans	-75.2	-33.1	-180	73.5	0	0	0	0	111.6	D473 F479 W502	D473-T475 VanDerWaalsContact C-N 3.25Å; D473-T475 PolarHBondContact O-N 3.09Å; D473-T475 WeakPolarHBondContact OD1-CA 3.4Å; D473-T475 WeakPolarHBondContact OD1-CB 3.32Å; D473-T475 PolarHBondContact OD1-N 3.05Å; D473-T475 PolarHBondContact OD1-OG1 2.69Å; T475-F479 VanDerWaalsContact O-CB 3.32Å; T475-F479 WeakPolarHBondContact O-CB 3.47Å; T475-F479 PolarHBondContact O-N 3.19Å; T475-W502 WeakPolarHBondContact O-CB 3.26Å
476	F	98.1	Very high	97.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.1	-44.2	170.2	-178.1	-116.7	0	0	0	111.6	L290 V293 L380 L384 L468 D473 D478 F479 L480 W502	L290-F476 HydrophobicContact CD2-CB 4.22Å; L290-F476 HydrophobicContact CD2-CD1 3.83Å; L290-F476 HydrophobicContact CD2-CD2 4.17Å; L290-F476 HydrophobicContact CD2-CE1 4.23Å; L290-F476 HydrophobicContact CD2-CG 3.78Å; V293-F476 HydrophobicContact CG1-CE2 4.34Å; V293-F476 HydrophobicContact CG1-CZ 4.47Å; L380-F476 HydrophobicContact CB-CE2 4.22Å; L380-F476 HydrophobicContact CB-CZ 4.23Å; L380-F476 HydrophobicContact CD1-CE2 4.38Å; L384-F476 HydrophobicContact CB-CE1 4.41Å; L384-F476 HydrophobicContact CB-CZ 4.47Å; L384-F476 HydrophobicContact CD2-CD1 3.88Å; L384-F476 HydrophobicContact CD2-CE1 3.34Å; L384-F476 HydrophobicContact CD2-CZ 4.16Å; L384-F476 HydrophobicContact CG-CE1 4.47Å; L468-F476 HydrophobicContact CD1-CD1 4.36Å; L468-F476 HydrophobicContact CD1-CE1 4.32Å; L468-F476 HydrophobicContact CD2-CE1 4.5Å; D473-F476 HydrophobicContact CB-CB 4.02Å; D473-F476 PolarHBondContact O-N 2.81Å; D473-F476 PolarHBondContact OD1-N 3.45Å; F476-D478 PolarHBondContact O-N 3.09Å; F476-F479 WeakPolarHBondContact O-CB 3.45Å; F476-F479 PolarHBondContact O-N 3.03Å; F476-L480 HydrophobicContact CD1-CD1 4.09Å; F476-L480 HydrophobicContact CD1-CG 4.47Å; F476-L480 HydrophobicContact CD2-CG 4.46Å; F476-L480 HydrophobicContact CE1-CD1 3.39Å; F476-L480 HydrophobicContact CE1-CG 3.97Å; F476-L480 HydrophobicContact CE2-CD1 4.29Å; F476-L480 HydrophobicContact CE2-CD2 4.19Å; F476-L480 HydrophobicContact CE2-CG 4.01Å; F476-L480 HydrophobicContact CZ-CD1 3.54Å; F476-L480 HydrophobicContact CZ-CD2 4Å; F476-L480 HydrophobicContact CZ-CG 3.76Å; F476-L480 PolarHBondContact O-N 3.47Å; F476-W502 HydrophobicContact CB-CG 4.33Å; F476-W502 AromaticContact CD2-CD2 3.84Å; F476-W502 HydrophobicContact CD2-CD2 3.84Å; F476-W502 AromaticContact CD2-CE2 3.34Å; F476-W502 HydrophobicContact CD2-CE3 4.24Å; F476-W502 HydrophobicContact CD2-CG 4.44Å; F476-W502 AromaticContact CD2-CH2 3.85Å; F476-W502 HydrophobicContact CD2-CH2 3.85Å; F476-W502 AromaticContact CD2-CZ2 3.37Å; F476-W502 HydrophobicContact CD2-CZ2 3.37Å; F476-W502 HydrophobicContact CD2-CZ3 4.25Å; F476-W502 AromaticContact CD2-NE1 3.61Å; F476-W502 AromaticContact CE2-CH2 3.78Å; F476-W502 HydrophobicContact CE2-CH2 3.78Å; F476-W502 AromaticContact CE2-CZ2 3.64Å; F476-W502 HydrophobicContact CE2-CZ2 3.64Å; F476-W502 HydrophobicContact CE2-CZ3 4.34Å; F476-W502 HydrophobicContact CG-CZ2 4.42Å; F476-W502 AromaticContact CG-NE1 3.94Å
477	T	98.1	Very high	97.3	Very high	22 Å²	22	45 Å²	45	14%	0.135	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-43	178.4	-56	0	0	0	0	111.6	W464 D473 P474 L480 K481	W464-T477 HydrophobicContact CB-CG2 4.09Å; W464-T477 HydrophobicContact CD2-CG2 4.3Å; W464-T477 HydrophobicContact CE3-CG2 4.26Å; W464-T477 HydrophobicContact CG-CG2 4.26Å; D473-T477 PolarHBondContact O-N 3.41Å; D473-T477 VanDerWaalsContact O-N 3.16Å; D473-T477 PolarHBondContact O-OG1 3.42Å; D473-T477 VanDerWaalsContact O-OG1 3.08Å; P474-T477 PolarHBondContact O-N 2.97Å; T477-L480 PolarHBondContact O-N 3.3Å; T477-K481 HydrophobicContact CG2-CD 4.38Å; T477-K481 WeakPolarHBondContact O-CB 3.32Å; T477-K481 WeakPolarHBondContact O-CG 3.33Å; T477-K481 PolarHBondContact O-N 3.46Å
478	D	98.4	Very high	97.3	Very high	61 Å²	61	45.5 Å²	45.5	33%	0.326	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-42.1	172.3	175.6	49.5	0	0	0	112.4	P474 F476 K481 K482 H500	P474-D478 WeakPolarHBondContact O-CB 3.46Å; P474-D478 PolarHBondContact O-N 2.9Å; F476-D478 PolarHBondContact O-N 3.09Å; D478-K481 PolarHBondContact O-N 3.02Å; D478-K482 WeakPolarHBondContact O-CG 3.34Å; D478-K482 PolarHBondContact O-N 2.86Å; D478-K482 VanDerWaalsContact O-N 3.09Å; D478-K482 WeakPolarHBondContact OD1-CE 3.19Å; D478-K482 IonicContact OD1-NZ 2.71Å; D478-K482 PolarHBondContact OD1-NZ 3.33Å; D478-K482 IonicContact OD2-NZ 2.91Å; D478-K482 PolarHBondContact OD2-NZ 3.4Å; D478-H500 IonicContact OD2-CE1 2.68Å; D478-H500 PolarHBondContact OD2-CE1 2.62Å; D478-H500 IonicContact OD2-NE2 2.69Å; D478-H500 PolarHBondContact OD2-NE2 3.08Å; D478-H500 VanDerWaalsContact OD2-NE2 3.09Å
479	F	98.7	Very high	97.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-45.7	175.1	-174.8	-97.5	0	0	0	112.6	L301 F376 L380 T475 F476 K482 C483 L492 A497 H500 W502 L503	L301-F479 HydrophobicContact CD1-CZ 4.3Å; F376-F479 AromaticContact CE1-CE1 3.55Å; F376-F479 HydrophobicContact CE1-CE1 3.55Å; F376-F479 AromaticContact CE1-CZ 3.61Å; F376-F479 HydrophobicContact CE1-CZ 3.61Å; F376-F479 AromaticContact CZ-CE1 3.96Å; F376-F479 HydrophobicContact CZ-CE1 3.96Å; F376-F479 AromaticContact CZ-CZ 3.98Å; F376-F479 HydrophobicContact CZ-CZ 3.98Å; L380-F479 HydrophobicContact CD1-CD1 4.11Å; L380-F479 HydrophobicContact CD1-CE1 3.56Å; T475-F479 VanDerWaalsContact O-CB 3.32Å; T475-F479 WeakPolarHBondContact O-CB 3.47Å; T475-F479 PolarHBondContact O-N 3.19Å; F476-F479 WeakPolarHBondContact O-CB 3.45Å; F476-F479 PolarHBondContact O-N 3.03Å; F479-K482 PolarHBondContact O-N 3.33Å; F479-C483 PolarHBondContact O-N 3.04Å; F479-C483 VanDerWaalsContact O-N 3.08Å; F479-C483 PolarHBondContact O-SG 3.33Å; F479-L492 HydrophobicContact CD2-CD1 3.81Å; F479-L492 HydrophobicContact CE2-CD1 3.92Å; F479-A497 HydrophobicContact CE2-CB 3.71Å; F479-A497 HydrophobicContact CZ-CB 3.86Å; F479-H500 HydrophobicContact CD2-CB 3.64Å; F479-H500 AromaticContact CD2-CG 3.52Å; F479-H500 AromaticContact CD2-ND1 3.47Å; F479-H500 WeakPolarHBondContact CD2-ND1 3.29Å; F479-H500 HydrophobicContact CE2-CB 3.85Å; F479-W502 HydrophobicContact CB-CB 4.29Å; F479-W502 HydrophobicContact CB-CE3 4.2Å; F479-W502 AromaticContact CD1-CE3 3.54Å; F479-W502 HydrophobicContact CD1-CE3 3.54Å; F479-W502 AromaticContact CD1-CZ3 3.67Å; F479-W502 HydrophobicContact CD1-CZ3 3.67Å; F479-W502 HydrophobicContact CD2-CE3 4Å; F479-W502 AromaticContact CE1-CE3 3.78Å; F479-W502 HydrophobicContact CE1-CE3 3.78Å; F479-W502 AromaticContact CE1-CZ3 3.57Å; F479-W502 HydrophobicContact CE1-CZ3 3.57Å; F479-W502 HydrophobicContact CE2-CE3 4.18Å; F479-W502 HydrophobicContact CG-CD2 4.42Å; F479-W502 AromaticContact CG-CE3 3.64Å; F479-W502 HydrophobicContact CG-CE3 3.64Å; F479-W502 HydrophobicContact CG-CZ3 4.25Å; F479-W502 HydrophobicContact CZ-CE3 4.06Å; F479-W502 HydrophobicContact CZ-CZ3 4.04Å; F479-L503 HydrophobicContact CE2-CD1 3.69Å; F479-L503 HydrophobicContact CZ-CD1 3.63Å
480	L	98.8	Very high	97.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-46.6	176.5	-75.4	-175.1	0	0	0	111.8	G377 L380 A381 W464 L468 F476 T477 K482 C483 L484	G377-L480 VanDerWaalsContact O-CD2 3.27Å; G377-L480 WeakPolarHBondContact O-CD2 3.1Å; L380-L480 HydrophobicContact CB-CD2 4Å; A381-L480 HydrophobicContact CB-CD1 4.05Å; W464-L480 HydrophobicContact CH2-CB 4.45Å; W464-L480 HydrophobicContact CZ3-CB 3.96Å; W464-L480 HydrophobicContact CZ3-CD1 4.36Å; L468-L480 HydrophobicContact CD1-CD1 3.89Å; L468-L480 HydrophobicContact CD2-CD1 3.66Å; L468-L480 HydrophobicContact CG-CD1 4.43Å; F476-L480 HydrophobicContact CD1-CD1 4.09Å; F476-L480 HydrophobicContact CD1-CG 4.47Å; F476-L480 HydrophobicContact CD2-CG 4.46Å; F476-L480 HydrophobicContact CE1-CD1 3.39Å; F476-L480 HydrophobicContact CE1-CG 3.97Å; F476-L480 HydrophobicContact CE2-CD1 4.29Å; F476-L480 HydrophobicContact CE2-CD2 4.19Å; F476-L480 HydrophobicContact CE2-CG 4.01Å; F476-L480 HydrophobicContact CZ-CD1 3.54Å; F476-L480 HydrophobicContact CZ-CD2 4Å; F476-L480 HydrophobicContact CZ-CG 3.76Å; F476-L480 PolarHBondContact O-N 3.47Å; T477-L480 PolarHBondContact O-N 3.3Å; L480-K482 VanDerWaalsContact C-N 3.27Å; L480-K482 PolarHBondContact O-N 3.08Å; L480-C483 PolarHBondContact O-N 3.05Å; L480-L484 WeakPolarHBondContact O-CB 3.43Å; L480-L484 WeakPolarHBondContact O-CG 3.46Å; L480-L484 PolarHBondContact O-N 3.36Å
481	K	98.6	Very high	97.5	Very high	99 Å²	99	45 Å²	45	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-53.6	-44.4	176.9	-78.8	175	175.2	-175.3	0	111.9	W464 T477 D478 L484 D485	W464-K481 VanDerWaalsContact CD1-CE 3.49Å; W464-K481 HydrophobicContact CD2-CG 4.32Å; W464-K481 VanDerWaalsContact CE2-CE 3.47Å; W464-K481 HydrophobicContact CH2-CG 3.85Å; W464-K481 HydrophobicContact CZ2-CD 4.45Å; W464-K481 HydrophobicContact CZ2-CG 3.48Å; W464-K481 VanDerWaalsContact CZ2-CG 3.48Å; W464-K481 HydrophobicContact CZ3-CG 4.42Å; W464-K481 VanDerWaalsContact NE1-CE 3.32Å; T477-K481 HydrophobicContact CG2-CD 4.38Å; T477-K481 WeakPolarHBondContact O-CB 3.32Å; T477-K481 WeakPolarHBondContact O-CG 3.33Å; T477-K481 PolarHBondContact O-N 3.46Å; D478-K481 PolarHBondContact O-N 3.02Å; K481-L484 CarbonylContact O-C 3.42Å; K481-L484 PolarHBondContact O-N 3.48Å; K481-D485 PolarHBondContact O-N 2.86Å
482	K	98.8	Very high	97.7	Very high	79 Å²	79	44.8 Å²	44.8	34%	0.343	25%	0.246	S	C	.	.	H	α-helix	trans	-77.1	-16.6	178.1	-61.8	163.8	169.5	152.3	0	114.7	D478 F479 L480 R491 L492 H500	D478-K482 WeakPolarHBondContact O-CG 3.34Å; D478-K482 PolarHBondContact O-N 2.86Å; D478-K482 VanDerWaalsContact O-N 3.09Å; D478-K482 WeakPolarHBondContact OD1-CE 3.19Å; D478-K482 IonicContact OD1-NZ 2.71Å; D478-K482 PolarHBondContact OD1-NZ 3.33Å; D478-K482 IonicContact OD2-NZ 2.91Å; D478-K482 PolarHBondContact OD2-NZ 3.4Å; F479-K482 PolarHBondContact O-N 3.33Å; L480-K482 VanDerWaalsContact C-N 3.27Å; L480-K482 PolarHBondContact O-N 3.08Å; K482-R491 VanDerWaalsContact O-CA 3.28Å; K482-R491 WeakPolarHBondContact O-CA 3.3Å; K482-L492 HydrophobicContact CB-CD1 3.74Å; K482-L492 HydrophobicContact CB-CD2 4.46Å; K482-L492 HydrophobicContact CB-CG 3.69Å; K482-L492 PolarHBondContact O-N 2.82Å; K482-H500 PolarHBondContact NZ-NE2 3.4Å
483	C	98.8	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-80.3	-28.8	167.3	-65.5	0	0	0	0	111.6	F479 L480 R491	F479-C483 PolarHBondContact O-N 3.04Å; F479-C483 VanDerWaalsContact O-N 3.08Å; F479-C483 PolarHBondContact O-SG 3.33Å; L480-C483 PolarHBondContact O-N 3.05Å; C483-R491 WeakPolarHBondContact O-CD 3.41Å
484	L	98.8	Very high	98.2	Very high	2 Å²	2	36 Å²	36	1%	0.01	21%	0.206	C	C	.	.	S	Bend	trans	-107.7	28.2	-173	-60.4	174.3	0	0	0	112.6	W374 L389 F390 L406 W464 L480 K481	W374-L484 HydrophobicContact CD2-CD2 3.72Å; W374-L484 HydrophobicContact CE3-CB 4.32Å; W374-L484 HydrophobicContact CE3-CD2 3.89Å; W374-L484 HydrophobicContact CG-CD2 4.15Å; W374-L484 HydrophobicContact CH2-CB 4.5Å; W374-L484 HydrophobicContact CH2-CD2 4.41Å; W374-L484 HydrophobicContact CZ2-CD2 4.27Å; W374-L484 HydrophobicContact CZ3-CB 4.09Å; W374-L484 HydrophobicContact CZ3-CD2 4.24Å; W374-L484 VanDerWaalsContact CZ3-O 3.28Å; W374-L484 WeakPolarHBondContact CZ3-O 3.32Å; W374-L484 WeakPolarHBondContact O-CD2 3.28Å; L389-L484 HydrophobicContact CD2-CD1 3.52Å; F390-L484 HydrophobicContact CE2-CD1 4.19Å; F390-L484 HydrophobicContact CE2-CD2 4.28Å; F390-L484 HydrophobicContact CZ-CD1 4.39Å; L406-L484 HydrophobicContact CD1-CB 4.45Å; L406-L484 WeakPolarHBondContact CD1-O 3.37Å; W464-L484 HydrophobicContact CH2-CD1 4.11Å; L480-L484 WeakPolarHBondContact O-CB 3.43Å; L480-L484 WeakPolarHBondContact O-CG 3.46Å; L480-L484 PolarHBondContact O-N 3.36Å; K481-L484 CarbonylContact O-C 3.42Å; K481-L484 PolarHBondContact O-N 3.48Å
485	D	98.6	Very high	98.3	Very high	60 Å²	60	32.9 Å²	32.9	32%	0.321	19%	0.186	S	C	.	.			trans	-66.8	145.2	174.1	-158.5	-57.4	0	0	0	110.8	K481 D487 S490 R491	K481-D485 PolarHBondContact O-N 2.86Å; D485-D487 PolarHBondContact OD1-N 3.22Å; D485-S490 PolarHBondContact OD1-OG 3.5Å; D485-S490 PolarHBondContact OD2-OG 2.95Å; D485-R491 HydrophobicContact CB-CG 3.83Å; D485-R491 PolarHBondContact O-NE 2.8Å; D485-R491 PolarHBondContact O-NH2 2.75Å
486	W	98.4	Very high	98.3	Very high	15 Å²	15	35 Å²	35	6%	0.057	19%	0.193	C	C	.	.	S	Bend	trans	-63.9	-41.1	173.6	-75.4	109.8	0	0	0	112.4	P359 L399 V402 M403 L406 G407 P409 P410 P488 R491	P359-W486 HydrophobicContact CB-CE3 3.64Å; P359-W486 HydrophobicContact CB-CZ3 3.46Å; P359-W486 VanDerWaalsContact CB-CZ3 3.46Å; P359-W486 HydrophobicContact CG-CE3 3.85Å; P359-W486 HydrophobicContact CG-CZ3 4.15Å; L399-W486 HydrophobicContact CD1-CH2 4.05Å; L399-W486 HydrophobicContact CD1-CZ3 3.92Å; V402-W486 HydrophobicContact CB-CH2 4.18Å; V402-W486 HydrophobicContact CG1-CH2 3.46Å; V402-W486 VanDerWaalsContact CG1-CH2 3.46Å; V402-W486 HydrophobicContact CG1-CZ2 3.62Å; V402-W486 HydrophobicContact CG1-CZ3 4.02Å; M403-W486 HydrophobicContact CG-CH2 3.77Å; M403-W486 HydrophobicContact CG-CZ2 3.81Å; L406-W486 HydrophobicContact CB-CZ2 4.26Å; G407-W486 WeakPolarHBondContact O-CZ2 3.19Å; P409-W486 HydrophobicContact CB-CD2 3.76Å; P409-W486 HydrophobicContact CB-CE3 3.67Å; P409-W486 HydrophobicContact CB-CG 4.3Å; P409-W486 HydrophobicContact CB-CH2 4.21Å; P409-W486 HydrophobicContact CB-CZ2 4.31Å; P409-W486 HydrophobicContact CB-CZ3 3.89Å; P409-W486 HydrophobicContact CG-CH2 4.26Å; P409-W486 HydrophobicContact CG-CZ2 4.48Å; P409-W486 HydrophobicContact CG-CZ3 4.28Å; P410-W486 VanDerWaalsContact CD-CB 3.48Å; P410-W486 HydrophobicContact CG-CB 4.3Å; W486-P488 WeakPolarHBondContact O-CD 3.3Å; W486-R491 PolarHBondContact O-NH2 3.39Å
487	D	98.1	Very high	98.3	Very high	27 Å²	27	35 Å²	35	14%	0.144	19%	0.193	C	C	.	.	S	Bend	trans	-83.5	111.9	179.4	-170.5	-34.3	0	0	0	109.7	K412 I413 D485 S489 S490 R491	K412-D487 IonicContact NZ-OD2 3.21Å; K412-D487 PolarHBondContact NZ-OD2 3.22Å; I413-D487 HydrophobicContact CD1-CB 3.78Å; I413-D487 HydrophobicContact CG1-CB 4.41Å; D485-D487 PolarHBondContact OD1-N 3.22Å; D487-S489 VanDerWaalsContact CG-OG 3.29Å; D487-S489 PolarHBondContact O-N 3.44Å; D487-S489 WeakPolarHBondContact OD1-CB 3.44Å; D487-S489 PolarHBondContact OD1-N 3.28Å; D487-S489 PolarHBondContact OD1-OG 2.93Å; D487-S490 PolarHBondContact O-N 2.96Å; D487-S490 PolarHBondContact O-OG 3.41Å; D487-R491 PolarHBondContact O-N 3.42Å
488	P	98.1	Very high	98.2	Very high	32 Å²	32	36.1 Å²	36.1	21%	0.208	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.3	-178.1	26.1	-34.9	0	0	0	113.9	P370 W486	P370-P488 HydrophobicContact CB-CB 3.81Å; P370-P488 VanDerWaalsContact CB-O 3.3Å; P370-P488 WeakPolarHBondContact CB-O 3.11Å; P370-P488 HydrophobicContact CG-CB 4.15Å; P370-P488 WeakPolarHBondContact CG-O 3.15Å; W486-P488 WeakPolarHBondContact O-CD 3.3Å
489	S	97.2	Very high	98.2	Very high	99 Å²	99	41.3 Å²	41.3	69%	0.692	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-17.3	175.9	70.7	0	0	0	0	114.1	D487	D487-S489 VanDerWaalsContact CG-OG 3.29Å; D487-S489 PolarHBondContact O-N 3.44Å; D487-S489 WeakPolarHBondContact OD1-CB 3.44Å; D487-S489 PolarHBondContact OD1-N 3.28Å; D487-S489 PolarHBondContact OD1-OG 2.93Å
490	S	97.1	Very high	98.1	Very high	60 Å²	60	41.9 Å²	41.9	42%	0.42	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-17	178.7	70.2	0	0	0	0	113.7	D485 D487	D485-S490 PolarHBondContact OD1-OG 3.5Å; D485-S490 PolarHBondContact OD2-OG 2.95Å; D487-S490 PolarHBondContact O-N 2.96Å; D487-S490 PolarHBondContact O-OG 3.41Å
491	R	98.3	Very high	98	Very high	6 Å²	6	44.9 Å²	44.9	2%	0.023	24%	0.235	C	C	.	.	S	Bend	trans	-58.1	148.6	175.7	-68.6	-178.2	-160.3	140.9	17.3	111.7	E360 P370 K482 C483 D485 W486 D487 T493	E360-R491 IonicContact OE1-CZ 2.76Å; E360-R491 IonicContact OE1-NH1 2.87Å; E360-R491 PolarHBondContact OE1-NH1 3.42Å; E360-R491 IonicContact OE1-NH2 3.38Å; E360-R491 IonicContact OE2-CZ 2.99Å; E360-R491 IonicContact OE2-NH1 3.76Å; E360-R491 PolarHBondContact OE2-NH1 2.84Å; E360-R491 IonicContact OE2-NH2 2.82Å; E360-R491 PolarHBondContact OE2-NH2 2.88Å; P370-R491 PolarHBondContact O-NH1 3.25Å; K482-R491 VanDerWaalsContact O-CA 3.28Å; K482-R491 WeakPolarHBondContact O-CA 3.3Å; C483-R491 WeakPolarHBondContact O-CD 3.41Å; D485-R491 HydrophobicContact CB-CG 3.83Å; D485-R491 PolarHBondContact O-NE 2.8Å; D485-R491 PolarHBondContact O-NH2 2.75Å; W486-R491 PolarHBondContact O-NH2 3.39Å; D487-R491 PolarHBondContact O-N 3.42Å; R491-T493 PolarHBondContact O-N 3.35Å
492	L	98.4	Very high	97.9	Very high	17 Å²	17	40.3 Å²	40.3	9%	0.089	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-53.3	127.1	170.3	-72.9	169.4	0	0	0	110.9	M373 F479 K482 Q496 A497	M373-L492 HydrophobicContact CE-CB 4.07Å; M373-L492 WeakPolarHBondContact CE-O 3.4Å; M373-L492 VanDerWaalsContact CG-O 3.28Å; M373-L492 WeakPolarHBondContact CG-O 3.45Å; F479-L492 HydrophobicContact CD2-CD1 3.81Å; F479-L492 HydrophobicContact CE2-CD1 3.92Å; K482-L492 HydrophobicContact CB-CD1 3.74Å; K482-L492 HydrophobicContact CB-CD2 4.46Å; K482-L492 HydrophobicContact CB-CG 3.69Å; K482-L492 PolarHBondContact O-N 2.82Å; L492-Q496 HydrophobicContact CD2-CB 3.65Å; L492-A497 HydrophobicContact CB-CB 4.23Å; L492-A497 HydrophobicContact CD1-CB 4.28Å
493	T	98.8	Very high	97.6	Very high	31 Å²	31	37.1 Å²	37.1	19%	0.19	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-73.7	159.5	158.5	71.4	0	0	0	0	109.9	Y308 R491 S495 Q496 A497	Y308-T493 HydrophobicContact CE2-CG2 4Å; R491-T493 PolarHBondContact O-N 3.35Å; T493-S495 VanDerWaalsContact C-N 3.25Å; T493-S495 PolarHBondContact O-N 3.49Å; T493-Q496 WeakPolarHBondContact O-CB 3.4Å; T493-Q496 PolarHBondContact O-N 3.04Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.44Å; T493-Q496 PolarHBondContact OG1-N 3.03Å; T493-Q496 PolarHBondContact OG1-OE1 3.06Å; T493-A497 WeakPolarHBondContact O-CB 3.33Å; T493-A497 PolarHBondContact O-N 2.86Å
494	P	98.5	Very high	96.6	Very high	4 Å²	4	45 Å²	45	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-55.3	-39.4	178.9	-27.4	35.8	0	0	0	113.4	L301 L304 E305 Y308 M373 Q496 A497 L498	L301-P494 HydrophobicContact CD2-CB 4.08Å; L304-P494 HydrophobicContact CB-CB 4.11Å; L304-P494 HydrophobicContact CB-CG 3.76Å; E305-P494 HydrophobicContact CB-CB 3.94Å; Y308-P494 HydrophobicContact CG-CG 4.42Å; M373-P494 HydrophobicContact CG-CG 4.37Å; M373-P494 HydrophobicContact SD-CB 4.44Å; M373-P494 HydrophobicContact SD-CG 3.83Å; P494-Q496 PolarHBondContact O-N 3.08Å; P494-A497 WeakPolarHBondContact O-CB 3.21Å; P494-A497 PolarHBondContact O-N 2.93Å; P494-L498 WeakPolarHBondContact O-CG 3.48Å; P494-L498 PolarHBondContact O-N 3.05Å
495	S	97.7	Very high	95	Very high	31 Å²	31	53.8 Å²	53.8	22%	0.217	27%	0.266	C	S	.	.	H	α-helix	trans	-71.6	-27.9	178	-7.4	0	0	0	0	113.1	E305 T493 R499	E305-S495 WeakPolarHBondContact OE2-CA 3.13Å; E305-S495 WeakPolarHBondContact OE2-CB 3.1Å; E305-S495 PolarHBondContact OE2-N 3.23Å; E305-S495 PolarHBondContact OE2-OG 3.25Å; T493-S495 VanDerWaalsContact C-N 3.25Å; T493-S495 PolarHBondContact O-N 3.49Å; S495-R499 PolarHBondContact O-NE 3.47Å; S495-R499 PolarHBondContact O-NH2 3.16Å
496	Q	98.2	Very high	93	Very high	90 Å²	90	62.1 Å²	62.1	42%	0.421	29%	0.293	S	S	.	.	H	α-helix	trans	-73.5	-43.5	169.6	-70.2	167.8	-23.2	0	0	110.5	L492 T493 P494 L498 R499 H500	L492-Q496 HydrophobicContact CD2-CB 3.65Å; T493-Q496 WeakPolarHBondContact O-CB 3.4Å; T493-Q496 PolarHBondContact O-N 3.04Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.44Å; T493-Q496 PolarHBondContact OG1-N 3.03Å; T493-Q496 PolarHBondContact OG1-OE1 3.06Å; P494-Q496 PolarHBondContact O-N 3.08Å; Q496-L498 PolarHBondContact O-N 2.77Å; Q496-R499 CarbonylContact O-C 3.55Å; Q496-R499 PolarHBondContact O-N 3.43Å; Q496-R499 VanDerWaalsContact O-N 3.07Å; Q496-H500 PolarHBondContact O-N 3.37Å; Q496-H500 VanDerWaalsContact O-N 3.14Å
497	A	98.2	Very high	90.8	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-45.4	178	0	0	0	0	0	112.4	L301 M373 F479 L492 T493 P494 R499 H500 L503	L301-A497 HydrophobicContact CD1-CB 3.85Å; L301-A497 HydrophobicContact CD2-CB 3.7Å; L301-A497 HydrophobicContact CG-CB 4.47Å; M373-A497 HydrophobicContact CE-CB 3.88Å; F479-A497 HydrophobicContact CE2-CB 3.71Å; F479-A497 HydrophobicContact CZ-CB 3.86Å; L492-A497 HydrophobicContact CB-CB 4.23Å; L492-A497 HydrophobicContact CD1-CB 4.28Å; T493-A497 WeakPolarHBondContact O-CB 3.33Å; T493-A497 PolarHBondContact O-N 2.86Å; P494-A497 WeakPolarHBondContact O-CB 3.21Å; P494-A497 PolarHBondContact O-N 2.93Å; A497-R499 PolarHBondContact O-N 2.91Å; A497-R499 VanDerWaalsContact O-N 3.15Å; A497-H500 WeakPolarHBondContact O-CB 3.34Å; A497-H500 PolarHBondContact O-N 2.86Å; A497-L503 WeakPolarHBondContact O-CD1 3.38Å
498	L	96.8	Very high	88.3	Confident	46 Å²	46	72 Å²	72	24%	0.241	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.5	175.3	-75.5	168.8	0	0	0	114	L301 E305 P494 Q496	L301-L498 HydrophobicContact CB-CD1 4.47Å; L301-L498 HydrophobicContact CB-CD2 3.71Å; L301-L498 HydrophobicContact CB-CG 3.94Å; L301-L498 HydrophobicContact CD1-CD2 4.03Å; L301-L498 HydrophobicContact CD1-CG 4.18Å; E305-L498 HydrophobicContact CB-CD1 4.25Å; E305-L498 HydrophobicContact CG-CD1 4.3Å; P494-L498 WeakPolarHBondContact O-CG 3.48Å; P494-L498 PolarHBondContact O-N 3.05Å; Q496-L498 PolarHBondContact O-N 2.77Å
499	R	96.6	Very high	85.7	Confident	170 Å²	170	79 Å²	79	64%	0.642	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-1.7	177	-70.6	177.3	-70.9	-167.2	1.2	113.4	S495 Q496 A497	S495-R499 PolarHBondContact O-NE 3.47Å; S495-R499 PolarHBondContact O-NH2 3.16Å; Q496-R499 CarbonylContact O-C 3.55Å; Q496-R499 PolarHBondContact O-N 3.43Å; Q496-R499 VanDerWaalsContact O-N 3.07Å; A497-R499 PolarHBondContact O-N 2.91Å; A497-R499 VanDerWaalsContact O-N 3.15Å
500	H	97.7	Very high	83	Confident	11 Å²	11	80 Å²	80	5%	0.051	38%	0.384	C	S	.	.	S	Bend	trans	-66.3	142.9	-177.5	-161	-100.5	0	0	0	111.7	D478 F479 K482 Q496 A497 W502 L503 Y504	D478-H500 IonicContact OD2-CE1 2.68Å; D478-H500 PolarHBondContact OD2-CE1 2.62Å; D478-H500 IonicContact OD2-NE2 2.69Å; D478-H500 PolarHBondContact OD2-NE2 3.08Å; D478-H500 VanDerWaalsContact OD2-NE2 3.09Å; F479-H500 HydrophobicContact CD2-CB 3.64Å; F479-H500 AromaticContact CD2-CG 3.52Å; F479-H500 AromaticContact CD2-ND1 3.47Å; F479-H500 WeakPolarHBondContact CD2-ND1 3.29Å; F479-H500 HydrophobicContact CE2-CB 3.85Å; K482-H500 PolarHBondContact NZ-NE2 3.4Å; Q496-H500 PolarHBondContact O-N 3.37Å; Q496-H500 VanDerWaalsContact O-N 3.14Å; A497-H500 WeakPolarHBondContact O-CB 3.34Å; A497-H500 PolarHBondContact O-N 2.86Å; H500-W502 PolarHBondContact O-N 3.29Å; H500-L503 PolarHBondContact O-N 3.05Å; H500-Y504 WeakPolarHBondContact O-CB 3.49Å; H500-Y504 PolarHBondContact O-N 3.41Å
501	P	96	Very high	80.4	Confident	63 Å²	63	84.8 Å²	84.8	41%	0.409	40%	0.404	S	S	.	.	H	α-helix	trans	-50.8	-35.5	-177.8	-32	36.9	0	0	0	115.3	L503 R505	P501-L503 VanDerWaalsContact C-N 3.34Å; P501-L503 PolarHBondContact O-N 2.83Å; P501-R505 WeakPolarHBondContact O-CB 3.44Å; P501-R505 PolarHBondContact O-N 3.13Å; P501-R505 VanDerWaalsContact O-N 3.08Å
502	W	96.4	Very high	78.1	Confident	3 Å²	3	90.3 Å²	90.3	1%	0.011	44%	0.441	C	S	.	.	H	α-helix	trans	-62.4	-33.6	177	177.6	69.2	0	0	0	114.2	V293 R294 A297 L380 T475 F476 F479 H500	V293-W502 HydrophobicContact CG1-CH2 4.29Å; V293-W502 HydrophobicContact CG1-CZ2 4.38Å; R294-W502 HydrophobicContact CB-CH2 4.25Å; R294-W502 HydrophobicContact CB-CZ2 3.85Å; R294-W502 WeakPolarHBondContact CD-O 3.11Å; R294-W502 HydrophobicContact CG-CZ2 4.29Å; R294-W502 PolarHBondContact NE-O 2.79Å; R294-W502 VanDerWaalsContact NH2-CD1 3.34Å; A297-W502 HydrophobicContact CB-CH2 3.57Å; A297-W502 HydrophobicContact CB-CZ3 3.62Å; L380-W502 HydrophobicContact CD1-CH2 3.88Å; L380-W502 HydrophobicContact CD1-CZ3 3.8Å; T475-W502 WeakPolarHBondContact O-CB 3.26Å; F476-W502 HydrophobicContact CB-CG 4.33Å; F476-W502 AromaticContact CD2-CD2 3.84Å; F476-W502 HydrophobicContact CD2-CD2 3.84Å; F476-W502 AromaticContact CD2-CE2 3.34Å; F476-W502 HydrophobicContact CD2-CE3 4.24Å; F476-W502 HydrophobicContact CD2-CG 4.44Å; F476-W502 AromaticContact CD2-CH2 3.85Å; F476-W502 HydrophobicContact CD2-CH2 3.85Å; F476-W502 AromaticContact CD2-CZ2 3.37Å; F476-W502 HydrophobicContact CD2-CZ2 3.37Å; F476-W502 HydrophobicContact CD2-CZ3 4.25Å; F476-W502 AromaticContact CD2-NE1 3.61Å; F476-W502 AromaticContact CE2-CH2 3.78Å; F476-W502 HydrophobicContact CE2-CH2 3.78Å; F476-W502 AromaticContact CE2-CZ2 3.64Å; F476-W502 HydrophobicContact CE2-CZ2 3.64Å; F476-W502 HydrophobicContact CE2-CZ3 4.34Å; F476-W502 HydrophobicContact CG-CZ2 4.42Å; F476-W502 AromaticContact CG-NE1 3.94Å; F479-W502 HydrophobicContact CB-CB 4.29Å; F479-W502 HydrophobicContact CB-CE3 4.2Å; F479-W502 AromaticContact CD1-CE3 3.54Å; F479-W502 HydrophobicContact CD1-CE3 3.54Å; F479-W502 AromaticContact CD1-CZ3 3.67Å; F479-W502 HydrophobicContact CD1-CZ3 3.67Å; F479-W502 HydrophobicContact CD2-CE3 4Å; F479-W502 AromaticContact CE1-CE3 3.78Å; F479-W502 HydrophobicContact CE1-CE3 3.78Å; F479-W502 AromaticContact CE1-CZ3 3.57Å; F479-W502 HydrophobicContact CE1-CZ3 3.57Å; F479-W502 HydrophobicContact CE2-CE3 4.18Å; F479-W502 HydrophobicContact CG-CD2 4.42Å; F479-W502 AromaticContact CG-CE3 3.64Å; F479-W502 HydrophobicContact CG-CE3 3.64Å; F479-W502 HydrophobicContact CG-CZ3 4.25Å; F479-W502 HydrophobicContact CZ-CE3 4.06Å; F479-W502 HydrophobicContact CZ-CZ3 4.04Å; H500-W502 PolarHBondContact O-N 3.29Å
503	L	93	Very high	75.4	Confident	13 Å²	13	92.7 Å²	92.7	7%	0.068	47%	0.469	C	S	.	.	H	α-helix	trans	-95.3	-39.3	178	-84.2	161.8	0	0	0	112.1	R294 A297 H298 L301 F479 A497 H500 P501	R294-L503 HydrophobicContact CG-CD2 3.76Å; A297-L503 HydrophobicContact CB-CD2 4.24Å; H298-L503 HydrophobicContact CB-CD2 4.09Å; L301-L503 HydrophobicContact CD1-CD1 3.36Å; F479-L503 HydrophobicContact CE2-CD1 3.69Å; F479-L503 HydrophobicContact CZ-CD1 3.63Å; A497-L503 WeakPolarHBondContact O-CD1 3.38Å; H500-L503 PolarHBondContact O-N 3.05Å; P501-L503 VanDerWaalsContact C-N 3.34Å; P501-L503 PolarHBondContact O-N 2.83Å
504	Y	78.9	Confident	72.4	Confident	166 Å²	166	97.7 Å²	97.7	65%	0.651	50%	0.5	S	S	*	.	H	α-helix	trans	-71.5	-32.8	-175.5	-175.3	-106.4	0	0	0	113.2	H500 R506	H500-Y504 WeakPolarHBondContact O-CB 3.49Å; H500-Y504 PolarHBondContact O-N 3.41Å; Y504-R506 PolarHBondContact O-N 3.19Å
505	R	63.7	Low	69.5	Low	185 Å²	185	106.7 Å²	106.7	70%	0.698	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	110.3	177	-72.2	-175.4	171.1	-175.5	-2.2	111.1	P501	P501-R505 WeakPolarHBondContact O-CB 3.44Å; P501-R505 PolarHBondContact O-N 3.13Å; P501-R505 VanDerWaalsContact O-N 3.08Å
506	R	56.8	Low	66.6	Low	235 Å²	235	114.9 Å²	114.9	89%	0.887	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.8	58.2	165.3	-50.1	-177.2	-177.2	-175.9	1.7	117.3	Y504	Y504-R506 PolarHBondContact O-N 3.19Å
507	L	52.3	Low	63.6	Low	129 Å²	129	116.4 Å²	116.4	68%	0.675	59%	0.594	S	S	*	*	S	Bend		-75.9	133.5	124.3	-73.6	168.6	0	0	0	107.2	K509	L507-K509 PolarHBondContact O-N 3.31Å; L507-K509 VanDerWaalsContact O-N 3.14Å
508	P	46.3	Very low	60.6	Low	122 Å²	122	126 Å²	126	79%	0.792	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-59.2	120.2	176.8	-22.9	33.4	0	0	0	110
509	K	42.3	Very low	57.5	Low	179 Å²	179	127.2 Å²	127.2	78%	0.778	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-65.3	135.7	161.6	-70.4	-174.7	176.3	-175.1	0	107	L507 L511	L507-K509 PolarHBondContact O-N 3.31Å; L507-K509 VanDerWaalsContact O-N 3.14Å; K509-L511 PolarHBondContact O-N 3.14Å
510	P	40.1	Very low	54.3	Low	118 Å²	118	124.1 Å²	124.1	77%	0.766	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-52	132.4	159.6	-20.4	32.3	0	0	0	107.8
511	L	44.1	Very low	51.5	Low	161 Å²	161	129.2 Å²	129.2	84%	0.843	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-58.4	129.3	172.5	-71.1	166.1	0	0	0	107.5	K509 G513	K509-L511 PolarHBondContact O-N 3.14Å; L511-G513 PolarHBondContact O-N 3.2Å; L511-G513 VanDerWaalsContact O-N 3.09Å
512	P	49.3	Very low	48.6	Very low	123 Å²	123	132.8 Å²	132.8	80%	0.799	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-59.4	119.9	170.2	25.3	-31.6	0	0	0	107.2	T514	P512-T514 PolarHBondContact O-N 3.35Å
513	G	41.3	Very low	45.5	Very low	66 Å²	66	142.3 Å²	142.3	68%	0.68	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-60.2	138.9	-180	0	0	0	0	0	109.9	L511 E515	L511-G513 PolarHBondContact O-N 3.2Å; L511-G513 VanDerWaalsContact O-N 3.09Å; G513-E515 PolarHBondContact O-N 3.24Å
514	T	36.8	Very low	42.5	Very low	137 Å²	137	153.2 Å²	153.2	84%	0.84	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-55.2	124	169.4	32.4	0	0	0	0	109.5	P512 K516	P512-T514 PolarHBondContact O-N 3.35Å; T514-K516 PolarHBondContact O-N 3.5Å
515	E	36.3	Very low	40.1	Very low	193 Å²	193	153.3 Å²	153.3	90%	0.902	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-60.1	130.6	174.6	-65.4	-167	147.3	0	0	109.5	G513 S517	G513-E515 PolarHBondContact O-N 3.24Å; E515-S517 PolarHBondContact O-N 3.09Å
516	K	37.2	Very low	38.9	Very low	202 Å²	202	149.2 Å²	149.2	88%	0.878	82%	0.818	S	S	*	*			trans	-82.3	111.4	178	-72.3	-176.2	175.7	-176.8	0	109.6	T514	T514-K516 PolarHBondContact O-N 3.5Å
517	S	34.6	Very low	37.6	Very low	122 Å²	122	145.8 Å²	145.8	85%	0.853	81%	0.812	S	S	*	*			trans	-57.7	143.7	157.8	-58.3	0	0	0	0	110.3	E515	E515-S517 PolarHBondContact O-N 3.09Å
518	Q	35.3	Very low	36.6	Very low	201 Å²	201	146.1 Å²	146.1	94%	0.939	81%	0.809	S	S	*	*			trans	-74.3	149.3	-171.5	-59.3	173.4	-0.1	0	0	112.4
519	G	31.6	Very low	35.9	Very low	73 Å²	73	147.7 Å²	147.7	75%	0.753	81%	0.806	S	S	*	*			trans	176.3	83.3	175.6	0	0	0	0	0	117.2
520	A	31.3	Very low	35.3	Very low	104 Å²	104	143.7 Å²	143.7	86%	0.86	80%	0.801	S	S	*	*			trans	64	156.6	157.7	0	0	0	0	0	121
521	P	38.6	Very low	34.8	Very low	118 Å²	118	144.4 Å²	144.4	77%	0.766	80%	0.803	S	S	*	*			trans	-120.7	137.6	-164.8	38	-22.7	0	0	0	115.7
522	V	33.9	Very low	34.3	Very low	138 Å²	138	141.8 Å²	141.8	84%	0.836	80%	0.798	S	S	*	*			trans	-141.4	121.5	166	-176.9	0	0	0	0	112.9
523	K	32.1	Very low	33.5	Very low	203 Å²	203	145.6 Å²	145.6	88%	0.883	80%	0.803	S	S	*	*			trans	31.6	133.4	154.2	-62.2	177.6	177.4	177.8	0	121.9
524	R	28.8	Very low	33.1	Very low	242 Å²	242	148.2 Å²	148.2	91%	0.913	81%	0.808	S	S	*	*			trans	-85.2	154.6	166.3	-52.7	178.7	-169.5	176.2	3.5	111.7
525	L	29.6	Very low	32.7	Very low	169 Å²	169	147.2 Å²	147.2	89%	0.885	81%	0.806	S	S	*	*			trans	-171.9	167.8	137.3	-96.7	165	0	0	0	107.3
526	P	37.7	Very low	32.5	Very low	99 Å²	99	146.2 Å²	146.2	64%	0.643	81%	0.805	S	S	*	*				-117.8	175.2	-126.3	42	-33	0	0	0	117.4
527	E	30.7	Very low	32	Very low	163 Å²	163	144.9 Å²	144.9	76%	0.762	80%	0.804	S	S	*	*			trans	94.4	144.9	138.7	-103.4	168.7	-150.9	0	0	123.7
528	H	31.6	Very low	31.7	Very low	135 Å²	135	146 Å²	146	63%	0.625	81%	0.806	S	S	*	*			trans	67.5	117.6	158.7	-69.5	-64.5	0	0	0	124.6
529	H	31.6	Very low	31.5	Very low	156 Å²	156	146.3 Å²	146.3	72%	0.722	80%	0.804	S	S	*	*			trans	60.4	122.3	139.5	-63.7	-53.5	0	0	0	123.9
530	S	28.7	Very low	31.2	Very low	95 Å²	95	146.9 Å²	146.9	66%	0.664	81%	0.81	S	S	*	*				23.9	122	124	-48.7	0	0	0	0	119.1
531	T	30.3	Very low	31	Very low	132 Å²	132	145.3 Å²	145.3	81%	0.81	80%	0.804	S	S	*	*				171.2	159.5	101.2	37.1	0	0	0	0	113
532	S	32.1	Very low	30.6	Very low	107 Å²	107	149.6 Å²	149.6	75%	0.748	81%	0.813	S	S	*	*			trans	54.1	138.6	146.8	51.2	0	0	0	0	123.1
533	F	34	Very low	30.2	Very low	203 Å²	203	145.9 Å²	145.9	89%	0.89	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-58.4	139.5	166	-69.5	-97.1	0	0	0	112.8
534	P	31.8	Very low	30.1	Very low	121 Å²	121	145.3 Å²	145.3	79%	0.786	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-82.1	134.2	168.2	31.5	-31.1	0	0	0	111.8
535	S	28.3	Very low	30.1	Very low	115 Å²	115	137.1 Å²	137.1	80%	0.804	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72.1	142.4	166.1	-67.5	0	0	0	0	110.9	M537	S535-M537 PolarHBondContact O-N 3.4Å
536	I	32.2	Very low	30	Very low	172 Å²	172	135.1 Å²	135.1	88%	0.882	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-69.4	123.1	174.2	-71.6	168	0	0	0	109.6
537	M	27.6	Very low	29.7	Very low	175 Å²	175	137.2 Å²	137.2	86%	0.862	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-78.1	139.8	167.2	-81	-175.2	164.1	0	0	111.2	S535	S535-M537 PolarHBondContact O-N 3.4Å
538	T	27.2	Very low	29.8	Very low	145 Å²	145	133.9 Å²	133.9	89%	0.89	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-64.9	133.4	159.8	25.7	0	0	0	0	110.9
539	K	31.2	Very low	30.5	Very low	208 Å²	208	133.7 Å²	133.7	90%	0.904	82%	0.817	S	S	*	*			trans	-130.2	132.9	157.5	-87.1	-169.3	173.4	-175.1	0	108.6
540	G	26.1	Very low	30.3	Very low	85 Å²	85	129.3 Å²	129.3	88%	0.876	81%	0.814	S	S	*	*			trans	-110.9	163.7	167.6	0	0	0	0	0	111.1
541	G	26.8	Very low	30.5	Very low	70 Å²	70	133 Å²	133	72%	0.722	83%	0.827	S	S	*	*			trans	140.3	106.6	163	0	0	0	0	0	116
542	Q	29.1	Very low	30.5	Very low	208 Å²	208	135.8 Å²	135.8	97%	0.972	83%	0.827	S	S	*	*			trans	69.1	143.9	155.4	-50.2	175	7	0	0	117
543	G	27.1	Very low	30.5	Very low	60 Å²	60	139.2 Å²	139.2	62%	0.619	84%	0.837	S	S	*	*			cis	178.2	171.7	-4.7	0	0	0	0	0	111.7
544	L	30.2	Very low	30.3	Very low	191 Å²	191	138.7 Å²	138.7	100%	1	83%	0.834	S	S	*	*			trans	65.2	138.1	-172.7	-57.3	95.8	0	0	0	113.8
545	G	27.3	Very low	30.2	Very low	71 Å²	71	138.1 Å²	138.1	73%	0.732	83%	0.833	S	S	*	*			cis	140.2	144.4	23.2	0	0	0	0	0	105
546	T	28.4	Very low	30.2	Very low	126 Å²	126	139.9 Å²	139.9	77%	0.773	83%	0.833	S	S	*	*			cis	-158	176.5	17.8	49.2	0	0	0	0	111
547	T	30.8	Very low	30	Very low	143 Å²	143	140.4 Å²	140.4	88%	0.877	83%	0.834	S	S	*	*			trans	80.6	139.9	164.1	69.1	0	0	0	0	120.4
548	A	32.5	Very low	30.2	Very low	94 Å²	94	140.4 Å²	140.4	78%	0.777	84%	0.836	S	S	*	*			trans	-126.6	-162.6	-178.1	0	0	0	0	0	107.7
549	P	46.8	Very low	30.2	Very low	130 Å²	130	136.9 Å²	136.9	84%	0.844	83%	0.828	S	S	*	*			cis	-120.4	-177.6	-14.8	38.3	-21	0	0	0	111.4
550	G	28.6	Very low	30.1	Very low	65 Å²	65	134.6 Å²	134.6	67%	0.67	83%	0.826	S	S	*	*			cis	149.3	151.2	-4.4	0	0	0	0	0	109.8
551	N	32.1	Very low	30.3	Very low	173 Å²	173	136.4 Å²	136.4	93%	0.925	83%	0.825	S	S	*	*			trans	-163.1	150.4	149.3	-115.3	-25.5	0	0	0	112.8
552	K	30.6	Very low	30.2	Very low	189 Å²	189	136.3 Å²	136.3	82%	0.822	82%	0.824	S	S	*	*			trans	-94.7	150.7	-171.9	-60.8	163.6	179.4	167.6	0	110.9
553	L	31.8	Very low	30.2	Very low	180 Å²	180	136.1 Å²	136.1	94%	0.942	82%	0.823	S	S	*	*			trans	-157.7	143	131.1	-105.3	149.5	0	0	0	110
554	K	29.2	Very low	30.3	Very low	191 Å²	191	138.7 Å²	138.7	83%	0.83	83%	0.827	S	S	*	*			trans	-112.3	151.1	-174.3	-63.7	173.7	170.6	-176.6	0	109.9
555	S	29.9	Very low	30.3	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	82%	0.817	S	S	*	*				-171.8	126.3	130	43.8	0	0	0	0	113.7
556	N	28.7	Very low	30.6	Very low	152 Å²	152	138.9 Å²	138.9	81%	0.813	82%	0.817	S	S	*	*			trans	21.2	133.4	146.6	-46.4	-9	0	0	0	119.9
557	M	27.8	Very low	30.5	Very low	183 Å²	183	141.6 Å²	141.6	90%	0.901	83%	0.825	S	S	*	*			cis	84.4	149.3	38.8	-74.1	-147.5	140.4	0	0	117.3
558	I	31.1	Very low	30.4	Very low	176 Å²	176	145.3 Å²	145.3	90%	0.903	82%	0.823	S	S	*	*			trans	82.6	135.4	-166.9	-52.1	162.8	0	0	0	111.8
559	G	29	Very low	30.2	Very low	70 Å²	70	146.8 Å²	146.8	72%	0.722	82%	0.823	S	S	*	*			cis	131.3	143.6	2	0	0	0	0	0	110.9
560	D	27.6	Very low	29.3	Very low	161 Å²	161	146.7 Å²	146.7	86%	0.861	82%	0.82	S	S	*	*			cis	-164.8	-178.3	-6.9	-164.1	4.3	0	0	0	109.7
561	S	30.1	Very low	29.4	Very low	122 Å²	122	151 Å²	151	85%	0.853	83%	0.827	S	S	*	*			trans	69.3	154.5	-179.7	76.3	0	0	0	0	116.8
562	G	26.2	Very low	29.5	Very low	68 Å²	68	148.7 Å²	148.7	70%	0.701	82%	0.821	S	S	*	*			cis	179.4	164.2	-5.4	0	0	0	0	0	111.4
563	E	28.1	Very low	29.4	Very low	204 Å²	204	148.5 Å²	148.5	95%	0.953	82%	0.82	S	S	*	*			trans	76.9	142.7	164.8	-57	-167.3	157.3	0	0	123.3
564	T	29.1	Very low	29.3	Very low	115 Å²	115	148.1 Å²	148.1	71%	0.706	82%	0.818	S	S	*	*			trans	-69.9	142.2	-167.5	41.2	0	0	0	0	119.6
565	I	30.2	Very low	29.4	Very low	152 Å²	152	145.4 Å²	145.4	78%	0.779	82%	0.817	S	S	*	*				50.3	142.6	127.2	-50.3	172.7	0	0	0	119.5
566	P	34.5	Very low	29.7	Very low	114 Å²	114	149 Å²	149	74%	0.74	84%	0.842	S	S	*	*			cis	-126.1	170.6	-21.1	36.8	-20.8	0	0	0	113.9
567	L	26.8	Very low	29.8	Very low	182 Å²	182	148.8 Å²	148.8	95%	0.953	84%	0.844	S	S	*	*			trans	-123.9	127.7	162.5	-90.9	167.1	0	0	0	112.4
568	R	27.9	Very low	29.9	Very low	221 Å²	221	147 Å²	147	83%	0.834	84%	0.841	S	S	*	*			trans	-124.1	117.1	-173.4	-170	-167.3	-163.4	-172.6	7	110
569	T	28.5	Very low	29.8	Very low	126 Å²	126	145.4 Å²	145.4	77%	0.773	84%	0.837	S	S	*	*			trans	61.8	158.4	165.5	50.3	0	0	0	0	115.5
570	V	28.4	Very low	29.9	Very low	128 Å²	128	149.8 Å²	149.8	78%	0.776	84%	0.844	S	S	*	*			cis	-153.7	145	41.3	169	0	0	0	0	110.9
571	L	30.7	Very low	30	Very low	155 Å²	155	149.1 Å²	149.1	81%	0.812	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-80.3	135.3	165.4	-77.1	156.2	0	0	0	110.9	K573	L571-K573 PolarHBondContact O-N 3.39Å
572	P	32.7	Very low	30	Very low	124 Å²	124	150.9 Å²	150.9	81%	0.805	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-70.9	131.6	176.3	27.1	-32	0	0	0	112.4
573	K	29.6	Very low	30.3	Very low	185 Å²	185	156.9 Å²	156.9	80%	0.804	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-63.5	142.7	171.3	-57.1	170.6	176.6	173	0	109.2	L571	L571-K573 PolarHBondContact O-N 3.39Å
574	L	29.9	Very low	30.4	Very low	173 Å²	173	153.2 Å²	153.2	91%	0.906	85%	0.845	S	S	*	*				44.8	82.2	69.9	-90.4	169.5	0	0	0	113.4
575	V	31.3	Very low	30.5	Very low	133 Å²	133	156.4 Å²	156.4	81%	0.806	86%	0.856	S	S	*	*			trans	-121.8	144.8	155.5	-177.1	0	0	0	0	107.9
576	S	36.1	Very low	30.6	Very low	184 Å²	184	156.8 Å²	156.8	100%	1.287	86%	0.863	S	S	*	*			trans	-66.6	0	-173.5	51	0	0	0	0	115

Retrieved 576 of 576 residues in 91.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).